USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 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 21 LYS NZ :NH3+ -149:sc= -0.224 (180deg=-1.96!) USER MOD Set 1.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 175:sc= 0 (180deg=-0.0323) USER MOD Single : A 14 HIS : no HD1:sc= -7.88! C(o=-7.9!,f=-7.5!) USER MOD Single : A 22 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.24) USER MOD Single : A 23 MET CE :methyl -137:sc= -4.47 (180deg=-10.5!) USER MOD Single : A 25 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-3.8!) USER MOD Single : A 27 MET CE :methyl 156:sc= -2.2! (180deg=-4.67!) USER MOD Single : A 37 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.61) USER MOD Single : A 47 CYS SG : rot 92:sc= -5.23! USER MOD Single : A 48 SER OG : rot 24:sc= 0.783 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 154:sc= -1.84! (180deg=-2.59!) USER MOD Single : A 62 HIS : no HD1:sc= -2.99 K(o=-3,f=-4.5!) USER MOD Single : A 68 SER OG : rot -91:sc= -1.12 USER MOD Single : A 70 SER OG : rot 180:sc= -0.258 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -79:sc= -2.65! USER MOD Single : A 82 GLN : amide:sc= -0.725 X(o=-0.73,f=-0.77) USER MOD Single : A 83 THR OG1 : rot 119:sc= 0.292 USER MOD Single : A 93 GLN : amide:sc= -2.38! C(o=-2.4!,f=-2.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -10! C(o=-10!,f=-5.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -167:sc= -0.283! USER MOD Single : A 106 GLN : amide:sc= -0.539 X(o=-0.54,f=-0.071) USER MOD Single : A 107 SER OG : rot -176:sc= -0.416 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0501 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.725 15.317 -14.682 1.00 0.00 N ATOM 2 CA GLY A 1 39.355 14.336 -15.685 1.00 0.00 C ATOM 3 C GLY A 1 38.102 13.568 -15.313 1.00 0.00 C ATOM 4 O GLY A 1 36.996 13.952 -15.690 1.00 0.00 O ATOM 0 H1 GLY A 1 40.587 15.814 -14.984 1.00 0.00 H new ATOM 0 H2 GLY A 1 38.952 16.003 -14.566 1.00 0.00 H new ATOM 0 H3 GLY A 1 39.901 14.838 -13.776 1.00 0.00 H new ATOM 0 HA2 GLY A 1 39.199 14.839 -16.640 1.00 0.00 H new ATOM 0 HA3 GLY A 1 40.178 13.636 -15.824 1.00 0.00 H new ATOM 8 N SER A 2 38.276 12.480 -14.570 1.00 0.00 N ATOM 9 CA SER A 2 37.151 11.653 -14.151 1.00 0.00 C ATOM 10 C SER A 2 36.763 11.955 -12.707 1.00 0.00 C ATOM 11 O SER A 2 37.300 11.363 -11.771 1.00 0.00 O ATOM 12 CB SER A 2 37.498 10.170 -14.297 1.00 0.00 C ATOM 13 OG SER A 2 36.571 9.358 -13.598 1.00 0.00 O ATOM 0 H SER A 2 39.185 12.151 -14.246 1.00 0.00 H new ATOM 0 HA SER A 2 36.302 11.886 -14.794 1.00 0.00 H new ATOM 0 HB2 SER A 2 37.502 9.897 -15.352 1.00 0.00 H new ATOM 0 HB3 SER A 2 38.503 9.989 -13.917 1.00 0.00 H new ATOM 0 HG SER A 2 36.814 8.415 -13.708 1.00 0.00 H new ATOM 19 N SER A 3 35.826 12.882 -12.534 1.00 0.00 N ATOM 20 CA SER A 3 35.367 13.267 -11.204 1.00 0.00 C ATOM 21 C SER A 3 34.409 12.224 -10.637 1.00 0.00 C ATOM 22 O SER A 3 33.317 12.015 -11.164 1.00 0.00 O ATOM 23 CB SER A 3 34.681 14.633 -11.255 1.00 0.00 C ATOM 24 OG SER A 3 35.627 15.674 -11.429 1.00 0.00 O ATOM 0 H SER A 3 35.370 13.380 -13.298 1.00 0.00 H new ATOM 0 HA SER A 3 36.236 13.329 -10.550 1.00 0.00 H new ATOM 0 HB2 SER A 3 33.961 14.651 -12.073 1.00 0.00 H new ATOM 0 HB3 SER A 3 34.121 14.797 -10.334 1.00 0.00 H new ATOM 0 HG SER A 3 35.162 16.536 -11.460 1.00 0.00 H new ATOM 30 N GLY A 4 34.827 11.572 -9.556 1.00 0.00 N ATOM 31 CA GLY A 4 33.995 10.558 -8.934 1.00 0.00 C ATOM 32 C GLY A 4 33.221 9.740 -9.949 1.00 0.00 C ATOM 33 O GLY A 4 33.806 8.974 -10.714 1.00 0.00 O ATOM 0 H GLY A 4 35.726 11.728 -9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 4 34.621 9.894 -8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 4 33.296 11.037 -8.248 1.00 0.00 H new ATOM 37 N SER A 5 31.902 9.902 -9.954 1.00 0.00 N ATOM 38 CA SER A 5 31.046 9.168 -10.878 1.00 0.00 C ATOM 39 C SER A 5 31.273 9.632 -12.314 1.00 0.00 C ATOM 40 O SER A 5 31.165 10.819 -12.619 1.00 0.00 O ATOM 41 CB SER A 5 29.575 9.350 -10.498 1.00 0.00 C ATOM 42 OG SER A 5 29.291 8.740 -9.252 1.00 0.00 O ATOM 0 H SER A 5 31.403 10.535 -9.329 1.00 0.00 H new ATOM 0 HA SER A 5 31.303 8.111 -10.811 1.00 0.00 H new ATOM 0 HB2 SER A 5 29.338 10.413 -10.449 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.940 8.917 -11.271 1.00 0.00 H new ATOM 0 HG SER A 5 28.345 8.872 -9.031 1.00 0.00 H new ATOM 48 N SER A 6 31.589 8.685 -13.192 1.00 0.00 N ATOM 49 CA SER A 6 31.835 8.995 -14.595 1.00 0.00 C ATOM 50 C SER A 6 30.594 9.599 -15.245 1.00 0.00 C ATOM 51 O SER A 6 29.542 9.709 -14.616 1.00 0.00 O ATOM 52 CB SER A 6 32.259 7.735 -15.352 1.00 0.00 C ATOM 53 OG SER A 6 33.541 7.297 -14.935 1.00 0.00 O ATOM 0 H SER A 6 31.681 7.697 -12.956 1.00 0.00 H new ATOM 0 HA SER A 6 32.641 9.727 -14.643 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.529 6.943 -15.185 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.271 7.937 -16.423 1.00 0.00 H new ATOM 0 HG SER A 6 33.789 6.490 -15.432 1.00 0.00 H new ATOM 59 N GLY A 7 30.724 9.988 -16.510 1.00 0.00 N ATOM 60 CA GLY A 7 29.606 10.575 -17.224 1.00 0.00 C ATOM 61 C GLY A 7 28.611 9.535 -17.700 1.00 0.00 C ATOM 62 O GLY A 7 28.349 9.418 -18.896 1.00 0.00 O ATOM 0 H GLY A 7 31.584 9.907 -17.053 1.00 0.00 H new ATOM 0 HA2 GLY A 7 29.098 11.288 -16.575 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.980 11.135 -18.081 1.00 0.00 H new ATOM 66 N GLY A 8 28.057 8.775 -16.760 1.00 0.00 N ATOM 67 CA GLY A 8 27.093 7.748 -17.109 1.00 0.00 C ATOM 68 C GLY A 8 25.866 7.778 -16.220 1.00 0.00 C ATOM 69 O GLY A 8 25.069 8.716 -16.256 1.00 0.00 O ATOM 0 H GLY A 8 28.259 8.852 -15.763 1.00 0.00 H new ATOM 0 HA2 GLY A 8 26.789 7.878 -18.148 1.00 0.00 H new ATOM 0 HA3 GLY A 8 27.567 6.769 -17.036 1.00 0.00 H new ATOM 73 N PRO A 9 25.700 6.731 -15.398 1.00 0.00 N ATOM 74 CA PRO A 9 24.563 6.617 -14.480 1.00 0.00 C ATOM 75 C PRO A 9 24.635 7.626 -13.339 1.00 0.00 C ATOM 76 O PRO A 9 25.111 7.311 -12.249 1.00 0.00 O ATOM 77 CB PRO A 9 24.684 5.190 -13.941 1.00 0.00 C ATOM 78 CG PRO A 9 26.130 4.856 -14.073 1.00 0.00 C ATOM 79 CD PRO A 9 26.611 5.578 -15.301 1.00 0.00 C ATOM 0 HA PRO A 9 23.615 6.820 -14.978 1.00 0.00 H new ATOM 0 HB2 PRO A 9 24.357 5.130 -12.903 1.00 0.00 H new ATOM 0 HB3 PRO A 9 24.064 4.498 -14.511 1.00 0.00 H new ATOM 0 HG2 PRO A 9 26.686 5.173 -13.191 1.00 0.00 H new ATOM 0 HG3 PRO A 9 26.275 3.780 -14.171 1.00 0.00 H new ATOM 0 HD2 PRO A 9 27.649 5.894 -15.201 1.00 0.00 H new ATOM 0 HD3 PRO A 9 26.554 4.946 -16.187 1.00 0.00 H new ATOM 87 N SER A 10 24.159 8.840 -13.598 1.00 0.00 N ATOM 88 CA SER A 10 24.173 9.896 -12.593 1.00 0.00 C ATOM 89 C SER A 10 23.386 9.478 -11.354 1.00 0.00 C ATOM 90 O SER A 10 22.287 8.934 -11.459 1.00 0.00 O ATOM 91 CB SER A 10 23.590 11.187 -13.170 1.00 0.00 C ATOM 92 OG SER A 10 24.442 11.733 -14.162 1.00 0.00 O ATOM 0 H SER A 10 23.759 9.116 -14.495 1.00 0.00 H new ATOM 0 HA SER A 10 25.209 10.072 -12.302 1.00 0.00 H new ATOM 0 HB2 SER A 10 22.609 10.986 -13.600 1.00 0.00 H new ATOM 0 HB3 SER A 10 23.445 11.914 -12.370 1.00 0.00 H new ATOM 0 HG SER A 10 24.046 12.557 -14.516 1.00 0.00 H new ATOM 98 N ARG A 11 23.957 9.737 -10.183 1.00 0.00 N ATOM 99 CA ARG A 11 23.311 9.387 -8.924 1.00 0.00 C ATOM 100 C ARG A 11 22.375 10.501 -8.465 1.00 0.00 C ATOM 101 O ARG A 11 22.805 11.630 -8.232 1.00 0.00 O ATOM 102 CB ARG A 11 24.361 9.113 -7.845 1.00 0.00 C ATOM 103 CG ARG A 11 25.270 10.298 -7.565 1.00 0.00 C ATOM 104 CD ARG A 11 26.528 9.872 -6.825 1.00 0.00 C ATOM 105 NE ARG A 11 26.348 9.906 -5.376 1.00 0.00 N ATOM 106 CZ ARG A 11 26.250 11.029 -4.673 1.00 0.00 C ATOM 107 NH1 ARG A 11 26.313 12.205 -5.284 1.00 0.00 N ATOM 108 NH2 ARG A 11 26.087 10.978 -3.357 1.00 0.00 N ATOM 0 H ARG A 11 24.866 10.188 -10.080 1.00 0.00 H new ATOM 0 HA ARG A 11 22.722 8.484 -9.086 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.856 8.828 -6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.971 8.263 -8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 11 25.544 10.778 -8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 11 24.732 11.039 -6.974 1.00 0.00 H new ATOM 0 HD2 ARG A 11 26.806 8.864 -7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 11 27.352 10.528 -7.104 1.00 0.00 H new ATOM 0 HE ARG A 11 26.295 9.018 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 11 26.437 12.248 -6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 11 26.237 13.066 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.037 10.076 -2.884 1.00 0.00 H new ATOM 0 HH22 ARG A 11 26.012 11.841 -2.819 1.00 0.00 H new ATOM 122 N MET A 12 21.092 10.176 -8.339 1.00 0.00 N ATOM 123 CA MET A 12 20.096 11.149 -7.908 1.00 0.00 C ATOM 124 C MET A 12 20.094 11.289 -6.389 1.00 0.00 C ATOM 125 O MET A 12 20.221 10.301 -5.666 1.00 0.00 O ATOM 126 CB MET A 12 18.705 10.737 -8.396 1.00 0.00 C ATOM 127 CG MET A 12 18.281 9.355 -7.926 1.00 0.00 C ATOM 128 SD MET A 12 16.568 8.976 -8.341 1.00 0.00 S ATOM 129 CE MET A 12 16.702 8.689 -10.104 1.00 0.00 C ATOM 0 H MET A 12 20.718 9.246 -8.529 1.00 0.00 H new ATOM 0 HA MET A 12 20.355 12.114 -8.343 1.00 0.00 H new ATOM 0 HB2 MET A 12 17.976 11.469 -8.050 1.00 0.00 H new ATOM 0 HB3 MET A 12 18.689 10.762 -9.486 1.00 0.00 H new ATOM 0 HG2 MET A 12 18.934 8.607 -8.375 1.00 0.00 H new ATOM 0 HG3 MET A 12 18.413 9.286 -6.846 1.00 0.00 H new ATOM 0 HE1 MET A 12 15.740 8.356 -10.493 1.00 0.00 H new ATOM 0 HE2 MET A 12 16.994 9.613 -10.602 1.00 0.00 H new ATOM 0 HE3 MET A 12 17.454 7.922 -10.292 1.00 0.00 H new ATOM 139 N ARG A 13 19.948 12.521 -5.913 1.00 0.00 N ATOM 140 CA ARG A 13 19.931 12.789 -4.480 1.00 0.00 C ATOM 141 C ARG A 13 18.519 13.119 -4.005 1.00 0.00 C ATOM 142 O ARG A 13 18.313 14.069 -3.250 1.00 0.00 O ATOM 143 CB ARG A 13 20.876 13.945 -4.145 1.00 0.00 C ATOM 144 CG ARG A 13 20.523 15.244 -4.849 1.00 0.00 C ATOM 145 CD ARG A 13 21.284 16.422 -4.260 1.00 0.00 C ATOM 146 NE ARG A 13 22.562 16.639 -4.933 1.00 0.00 N ATOM 147 CZ ARG A 13 22.670 17.081 -6.181 1.00 0.00 C ATOM 148 NH1 ARG A 13 21.582 17.351 -6.888 1.00 0.00 N ATOM 149 NH2 ARG A 13 23.868 17.253 -6.724 1.00 0.00 N ATOM 0 H ARG A 13 19.840 13.349 -6.498 1.00 0.00 H new ATOM 0 HA ARG A 13 20.269 11.890 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 13 20.865 14.111 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 13 21.893 13.661 -4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.751 15.157 -5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.451 15.424 -4.767 1.00 0.00 H new ATOM 0 HD2 ARG A 13 20.675 17.323 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 13 21.458 16.247 -3.198 1.00 0.00 H new ATOM 0 HE ARG A 13 23.419 16.440 -4.416 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.659 17.220 -6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 13 21.668 17.690 -7.846 1.00 0.00 H new ATOM 0 HH21 ARG A 13 24.708 17.046 -6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 13 23.950 17.592 -7.682 1.00 0.00 H new ATOM 163 N HIS A 14 17.550 12.327 -4.454 1.00 0.00 N ATOM 164 CA HIS A 14 16.157 12.535 -4.075 1.00 0.00 C ATOM 165 C HIS A 14 15.470 11.205 -3.780 1.00 0.00 C ATOM 166 O HIS A 14 16.001 10.139 -4.092 1.00 0.00 O ATOM 167 CB HIS A 14 15.409 13.273 -5.185 1.00 0.00 C ATOM 168 CG HIS A 14 15.193 12.446 -6.415 1.00 0.00 C ATOM 169 ND1 HIS A 14 15.942 12.595 -7.563 1.00 0.00 N ATOM 170 CD2 HIS A 14 14.307 11.456 -6.671 1.00 0.00 C ATOM 171 CE1 HIS A 14 15.524 11.733 -8.473 1.00 0.00 C ATOM 172 NE2 HIS A 14 14.533 11.029 -7.957 1.00 0.00 N ATOM 0 H HIS A 14 17.704 11.536 -5.080 1.00 0.00 H new ATOM 0 HA HIS A 14 16.139 13.142 -3.170 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.442 13.602 -4.804 1.00 0.00 H new ATOM 0 HB3 HIS A 14 15.967 14.170 -5.454 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.561 11.073 -5.991 1.00 0.00 H new ATOM 0 HE1 HIS A 14 15.925 11.623 -9.470 1.00 0.00 H new ATOM 0 HE2 HIS A 14 14.019 10.289 -8.435 1.00 0.00 H new ATOM 180 N GLU A 15 14.287 11.275 -3.178 1.00 0.00 N ATOM 181 CA GLU A 15 13.529 10.076 -2.840 1.00 0.00 C ATOM 182 C GLU A 15 12.099 10.170 -3.364 1.00 0.00 C ATOM 183 O GLU A 15 11.520 9.175 -3.800 1.00 0.00 O ATOM 184 CB GLU A 15 13.516 9.864 -1.325 1.00 0.00 C ATOM 185 CG GLU A 15 12.939 11.038 -0.551 1.00 0.00 C ATOM 186 CD GLU A 15 13.896 12.212 -0.473 1.00 0.00 C ATOM 187 OE1 GLU A 15 14.983 12.052 0.120 1.00 0.00 O ATOM 188 OE2 GLU A 15 13.558 13.290 -1.005 1.00 0.00 O ATOM 0 H GLU A 15 13.833 12.149 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 15 14.016 9.224 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.937 8.969 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.535 9.680 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.012 11.361 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.685 10.713 0.458 1.00 0.00 H new ATOM 195 N ARG A 16 11.536 11.373 -3.317 1.00 0.00 N ATOM 196 CA ARG A 16 10.174 11.598 -3.785 1.00 0.00 C ATOM 197 C ARG A 16 9.217 10.572 -3.186 1.00 0.00 C ATOM 198 O ARG A 16 8.332 10.058 -3.870 1.00 0.00 O ATOM 199 CB ARG A 16 10.119 11.531 -5.312 1.00 0.00 C ATOM 200 CG ARG A 16 10.996 12.565 -5.999 1.00 0.00 C ATOM 201 CD ARG A 16 10.659 13.975 -5.541 1.00 0.00 C ATOM 202 NE ARG A 16 11.222 14.273 -4.226 1.00 0.00 N ATOM 203 CZ ARG A 16 10.833 15.298 -3.475 1.00 0.00 C ATOM 204 NH1 ARG A 16 9.885 16.118 -3.907 1.00 0.00 N ATOM 205 NH2 ARG A 16 11.393 15.503 -2.290 1.00 0.00 N ATOM 0 H ARG A 16 12.002 12.207 -2.959 1.00 0.00 H new ATOM 0 HA ARG A 16 9.865 12.591 -3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.425 10.536 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.088 11.669 -5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.044 12.353 -5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.868 12.492 -7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.038 14.693 -6.269 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.576 14.096 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 16 11.954 13.661 -3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.452 15.963 -4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.588 16.904 -3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.123 14.874 -1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.094 16.290 -1.714 1.00 0.00 H new ATOM 219 N VAL A 17 9.402 10.277 -1.903 1.00 0.00 N ATOM 220 CA VAL A 17 8.555 9.312 -1.211 1.00 0.00 C ATOM 221 C VAL A 17 7.461 10.014 -0.414 1.00 0.00 C ATOM 222 O VAL A 17 7.696 11.055 0.201 1.00 0.00 O ATOM 223 CB VAL A 17 9.378 8.424 -0.259 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.494 7.366 0.383 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.539 7.780 -1.003 1.00 0.00 C ATOM 0 H VAL A 17 10.130 10.692 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 17 8.098 8.685 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 17 9.786 9.051 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.093 6.748 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.700 7.851 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.055 6.739 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.110 7.156 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.154 7.165 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.186 8.557 -1.410 1.00 0.00 H new ATOM 235 N VAL A 18 6.263 9.437 -0.428 1.00 0.00 N ATOM 236 CA VAL A 18 5.132 10.006 0.295 1.00 0.00 C ATOM 237 C VAL A 18 4.714 9.108 1.455 1.00 0.00 C ATOM 238 O VAL A 18 4.908 7.893 1.414 1.00 0.00 O ATOM 239 CB VAL A 18 3.924 10.222 -0.634 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.369 10.821 -1.960 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.180 8.913 -0.855 1.00 0.00 C ATOM 0 H VAL A 18 6.051 8.576 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 18 5.458 10.970 0.685 1.00 0.00 H new ATOM 0 HB VAL A 18 3.242 10.925 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.501 10.966 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.853 11.781 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.072 10.145 -2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.329 9.085 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.851 8.185 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.826 8.530 0.102 1.00 0.00 H new ATOM 251 N ILE A 19 4.138 9.715 2.487 1.00 0.00 N ATOM 252 CA ILE A 19 3.690 8.970 3.657 1.00 0.00 C ATOM 253 C ILE A 19 2.174 9.041 3.807 1.00 0.00 C ATOM 254 O ILE A 19 1.553 10.049 3.469 1.00 0.00 O ATOM 255 CB ILE A 19 4.347 9.499 4.946 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.837 9.759 4.716 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.145 8.513 6.087 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.571 8.579 4.119 1.00 0.00 C ATOM 0 H ILE A 19 3.971 10.720 2.537 1.00 0.00 H new ATOM 0 HA ILE A 19 3.989 7.933 3.505 1.00 0.00 H new ATOM 0 HB ILE A 19 3.871 10.441 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.950 10.619 4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.302 10.023 5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.615 8.901 6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.078 8.374 6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.597 7.556 5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.622 8.835 3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.489 7.723 4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.131 8.328 3.154 1.00 0.00 H new ATOM 270 N ILE A 20 1.585 7.964 4.316 1.00 0.00 N ATOM 271 CA ILE A 20 0.142 7.905 4.513 1.00 0.00 C ATOM 272 C ILE A 20 -0.202 7.461 5.931 1.00 0.00 C ATOM 273 O ILE A 20 0.525 6.677 6.541 1.00 0.00 O ATOM 274 CB ILE A 20 -0.524 6.943 3.511 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.097 7.109 2.122 1.00 0.00 C ATOM 276 CG2 ILE A 20 -2.025 7.189 3.458 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.480 8.265 1.336 1.00 0.00 C ATOM 0 H ILE A 20 2.085 7.121 4.599 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.240 8.912 4.347 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.354 5.919 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.172 7.253 2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.046 6.188 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.481 6.502 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.455 7.026 4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.215 8.215 3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.007 8.322 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.550 8.113 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.313 9.194 1.880 1.00 0.00 H new ATOM 289 N LYS A 21 -1.315 7.967 6.450 1.00 0.00 N ATOM 290 CA LYS A 21 -1.759 7.622 7.795 1.00 0.00 C ATOM 291 C LYS A 21 -3.216 7.172 7.788 1.00 0.00 C ATOM 292 O LYS A 21 -3.953 7.438 6.840 1.00 0.00 O ATOM 293 CB LYS A 21 -1.588 8.819 8.733 1.00 0.00 C ATOM 294 CG LYS A 21 -0.250 8.842 9.452 1.00 0.00 C ATOM 295 CD LYS A 21 0.883 9.214 8.510 1.00 0.00 C ATOM 296 CE LYS A 21 2.217 9.272 9.239 1.00 0.00 C ATOM 297 NZ LYS A 21 3.145 10.258 8.619 1.00 0.00 N ATOM 0 H LYS A 21 -1.927 8.618 5.959 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.144 6.796 8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.698 9.739 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.388 8.807 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.290 9.556 10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.054 7.863 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.940 8.485 7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.675 10.181 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.049 9.538 10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.678 8.284 9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.126 9.938 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.936 10.341 7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.021 11.185 9.074 1.00 0.00 H new ATOM 311 N ASN A 22 -3.625 6.490 8.853 1.00 0.00 N ATOM 312 CA ASN A 22 -4.995 6.004 8.970 1.00 0.00 C ATOM 313 C ASN A 22 -5.436 5.307 7.686 1.00 0.00 C ATOM 314 O ASN A 22 -6.527 5.560 7.175 1.00 0.00 O ATOM 315 CB ASN A 22 -5.944 7.162 9.288 1.00 0.00 C ATOM 316 CG ASN A 22 -7.136 6.722 10.116 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.979 6.155 11.197 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.336 6.982 9.610 1.00 0.00 N ATOM 0 H ASN A 22 -3.027 6.261 9.647 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.030 5.281 9.785 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.399 7.938 9.825 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.296 7.606 8.357 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.175 6.709 10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.418 7.454 8.710 1.00 0.00 H new ATOM 325 N MET A 23 -4.582 4.429 7.172 1.00 0.00 N ATOM 326 CA MET A 23 -4.885 3.695 5.949 1.00 0.00 C ATOM 327 C MET A 23 -4.925 2.193 6.213 1.00 0.00 C ATOM 328 O MET A 23 -5.479 1.428 5.423 1.00 0.00 O ATOM 329 CB MET A 23 -3.846 4.007 4.871 1.00 0.00 C ATOM 330 CG MET A 23 -2.413 3.770 5.320 1.00 0.00 C ATOM 331 SD MET A 23 -1.318 3.342 3.953 1.00 0.00 S ATOM 332 CE MET A 23 -2.179 1.933 3.258 1.00 0.00 C ATOM 0 H MET A 23 -3.675 4.208 7.583 1.00 0.00 H new ATOM 0 HA MET A 23 -5.868 4.011 5.599 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.049 3.393 3.994 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.954 5.047 4.564 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.038 4.667 5.814 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.396 2.969 6.059 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.460 1.151 3.015 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.898 1.552 3.983 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.703 2.238 2.352 1.00 0.00 H new ATOM 342 N PHE A 24 -4.334 1.776 7.328 1.00 0.00 N ATOM 343 CA PHE A 24 -4.301 0.365 7.695 1.00 0.00 C ATOM 344 C PHE A 24 -3.938 0.194 9.167 1.00 0.00 C ATOM 345 O PHE A 24 -3.528 1.146 9.832 1.00 0.00 O ATOM 346 CB PHE A 24 -3.297 -0.388 6.820 1.00 0.00 C ATOM 347 CG PHE A 24 -1.865 -0.061 7.133 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.237 -0.621 8.234 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.147 0.807 6.326 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.080 -0.320 8.524 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.171 1.110 6.611 1.00 0.00 C ATOM 352 CZ PHE A 24 0.786 0.545 7.711 1.00 0.00 C ATOM 0 H PHE A 24 -3.871 2.395 7.993 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.296 -0.050 7.534 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.452 -1.460 6.944 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.494 -0.156 5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.783 -1.300 8.872 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.623 1.252 5.464 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.557 -0.761 9.386 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.720 1.788 5.974 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.816 0.779 7.935 1.00 0.00 H new ATOM 362 N HIS A 25 -4.093 -1.026 9.671 1.00 0.00 N ATOM 363 CA HIS A 25 -3.782 -1.323 11.064 1.00 0.00 C ATOM 364 C HIS A 25 -2.947 -2.596 11.175 1.00 0.00 C ATOM 365 O HIS A 25 -3.169 -3.577 10.466 1.00 0.00 O ATOM 366 CB HIS A 25 -5.069 -1.471 11.876 1.00 0.00 C ATOM 367 CG HIS A 25 -4.902 -1.144 13.328 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.914 -2.100 14.321 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.717 0.042 13.953 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.746 -1.516 15.494 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.623 -0.216 15.298 1.00 0.00 N ATOM 0 H HIS A 25 -4.432 -1.825 9.135 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.202 -0.492 11.466 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.834 -0.821 11.451 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.433 -2.494 11.782 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.655 1.011 13.481 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.715 -2.017 16.450 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.481 0.483 16.027 1.00 0.00 H new ATOM 379 N PRO A 26 -1.963 -2.581 12.086 1.00 0.00 N ATOM 380 CA PRO A 26 -1.075 -3.726 12.311 1.00 0.00 C ATOM 381 C PRO A 26 -1.797 -4.899 12.967 1.00 0.00 C ATOM 382 O PRO A 26 -1.555 -6.056 12.627 1.00 0.00 O ATOM 383 CB PRO A 26 -0.004 -3.165 13.250 1.00 0.00 C ATOM 384 CG PRO A 26 -0.672 -2.035 13.955 1.00 0.00 C ATOM 385 CD PRO A 26 -1.641 -1.446 12.967 1.00 0.00 C ATOM 0 HA PRO A 26 -0.677 -4.123 11.377 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.341 -3.922 13.954 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.870 -2.824 12.695 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.189 -2.384 14.849 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.056 -1.291 14.278 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.531 -1.056 13.461 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.196 -0.620 12.412 1.00 0.00 H new ATOM 393 N MET A 27 -2.684 -4.591 13.907 1.00 0.00 N ATOM 394 CA MET A 27 -3.442 -5.621 14.608 1.00 0.00 C ATOM 395 C MET A 27 -4.532 -6.199 13.712 1.00 0.00 C ATOM 396 O MET A 27 -5.110 -7.242 14.016 1.00 0.00 O ATOM 397 CB MET A 27 -4.064 -5.047 15.883 1.00 0.00 C ATOM 398 CG MET A 27 -4.676 -6.103 16.789 1.00 0.00 C ATOM 399 SD MET A 27 -3.564 -7.490 17.088 1.00 0.00 S ATOM 400 CE MET A 27 -2.010 -6.632 17.331 1.00 0.00 C ATOM 0 H MET A 27 -2.896 -3.637 14.201 1.00 0.00 H new ATOM 0 HA MET A 27 -2.755 -6.423 14.877 1.00 0.00 H new ATOM 0 HB2 MET A 27 -3.299 -4.503 16.438 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.833 -4.325 15.609 1.00 0.00 H new ATOM 0 HG2 MET A 27 -4.946 -5.647 17.741 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.598 -6.472 16.340 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.340 -7.254 17.924 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.553 -6.426 16.363 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.191 -5.693 17.854 1.00 0.00 H new ATOM 410 N ASP A 28 -4.807 -5.515 12.607 1.00 0.00 N ATOM 411 CA ASP A 28 -5.828 -5.961 11.665 1.00 0.00 C ATOM 412 C ASP A 28 -5.313 -7.118 10.814 1.00 0.00 C ATOM 413 O ASP A 28 -6.087 -7.966 10.368 1.00 0.00 O ATOM 414 CB ASP A 28 -6.263 -4.804 10.765 1.00 0.00 C ATOM 415 CG ASP A 28 -7.351 -3.957 11.396 1.00 0.00 C ATOM 416 OD1 ASP A 28 -7.587 -4.105 12.614 1.00 0.00 O ATOM 417 OD2 ASP A 28 -7.967 -3.147 10.672 1.00 0.00 O ATOM 0 H ASP A 28 -4.337 -4.649 12.341 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.688 -6.308 12.237 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.400 -4.176 10.543 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.621 -5.201 9.815 1.00 0.00 H new ATOM 422 N PHE A 29 -4.004 -7.146 10.592 1.00 0.00 N ATOM 423 CA PHE A 29 -3.386 -8.197 9.793 1.00 0.00 C ATOM 424 C PHE A 29 -3.246 -9.484 10.601 1.00 0.00 C ATOM 425 O PHE A 29 -3.204 -10.579 10.041 1.00 0.00 O ATOM 426 CB PHE A 29 -2.013 -7.745 9.291 1.00 0.00 C ATOM 427 CG PHE A 29 -1.997 -6.335 8.774 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.856 -5.946 7.759 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.124 -5.399 9.304 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.844 -4.649 7.282 1.00 0.00 C ATOM 431 CE2 PHE A 29 -1.107 -4.100 8.831 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.969 -3.725 7.819 1.00 0.00 C ATOM 0 H PHE A 29 -3.350 -6.452 10.954 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.031 -8.395 8.937 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.291 -7.834 10.103 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.686 -8.418 8.498 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.543 -6.664 7.336 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.449 -5.687 10.096 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.518 -4.358 6.490 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.421 -3.380 9.252 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.959 -2.711 7.448 1.00 0.00 H new ATOM 442 N GLU A 30 -3.175 -9.342 11.921 1.00 0.00 N ATOM 443 CA GLU A 30 -3.039 -10.493 12.806 1.00 0.00 C ATOM 444 C GLU A 30 -4.256 -11.408 12.700 1.00 0.00 C ATOM 445 O GLU A 30 -4.233 -12.547 13.167 1.00 0.00 O ATOM 446 CB GLU A 30 -2.858 -10.032 14.254 1.00 0.00 C ATOM 447 CG GLU A 30 -1.606 -9.202 14.476 1.00 0.00 C ATOM 448 CD GLU A 30 -1.047 -9.352 15.877 1.00 0.00 C ATOM 449 OE1 GLU A 30 -1.571 -10.192 16.639 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.085 -8.629 16.213 1.00 0.00 O ATOM 0 H GLU A 30 -3.209 -8.442 12.401 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.157 -11.054 12.498 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.729 -9.448 14.552 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.824 -10.907 14.903 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.846 -9.497 13.752 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.833 -8.152 14.290 1.00 0.00 H new ATOM 457 N ASP A 31 -5.318 -10.901 12.083 1.00 0.00 N ATOM 458 CA ASP A 31 -6.545 -11.671 11.915 1.00 0.00 C ATOM 459 C ASP A 31 -6.620 -12.274 10.515 1.00 0.00 C ATOM 460 O ASP A 31 -7.126 -13.381 10.332 1.00 0.00 O ATOM 461 CB ASP A 31 -7.766 -10.787 12.169 1.00 0.00 C ATOM 462 CG ASP A 31 -9.034 -11.594 12.370 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.151 -12.263 13.417 1.00 0.00 O ATOM 464 OD2 ASP A 31 -9.908 -11.555 11.479 1.00 0.00 O ATOM 0 H ASP A 31 -5.354 -9.960 11.691 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.538 -12.484 12.642 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.588 -10.171 13.050 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.901 -10.108 11.327 1.00 0.00 H new ATOM 469 N ASP A 32 -6.114 -11.538 9.532 1.00 0.00 N ATOM 470 CA ASP A 32 -6.124 -12.000 8.148 1.00 0.00 C ATOM 471 C ASP A 32 -5.150 -11.190 7.299 1.00 0.00 C ATOM 472 O ASP A 32 -5.039 -9.971 7.428 1.00 0.00 O ATOM 473 CB ASP A 32 -7.534 -11.899 7.565 1.00 0.00 C ATOM 474 CG ASP A 32 -8.388 -13.106 7.903 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.956 -14.240 7.610 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.488 -12.915 8.462 1.00 0.00 O ATOM 0 H ASP A 32 -5.692 -10.619 9.667 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.808 -13.043 8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.017 -10.998 7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.470 -11.795 6.482 1.00 0.00 H new ATOM 481 N PRO A 33 -4.424 -11.883 6.408 1.00 0.00 N ATOM 482 CA PRO A 33 -3.446 -11.249 5.519 1.00 0.00 C ATOM 483 C PRO A 33 -4.107 -10.382 4.454 1.00 0.00 C ATOM 484 O PRO A 33 -3.621 -9.296 4.133 1.00 0.00 O ATOM 485 CB PRO A 33 -2.731 -12.438 4.873 1.00 0.00 C ATOM 486 CG PRO A 33 -3.717 -13.553 4.936 1.00 0.00 C ATOM 487 CD PRO A 33 -4.504 -13.339 6.199 1.00 0.00 C ATOM 0 HA PRO A 33 -2.780 -10.576 6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.448 -12.218 3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.816 -12.688 5.409 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.370 -13.546 4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.213 -14.519 4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.536 -13.673 6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.076 -13.889 7.037 1.00 0.00 H new ATOM 495 N LEU A 34 -5.217 -10.866 3.908 1.00 0.00 N ATOM 496 CA LEU A 34 -5.946 -10.134 2.878 1.00 0.00 C ATOM 497 C LEU A 34 -5.916 -8.634 3.152 1.00 0.00 C ATOM 498 O LEU A 34 -5.615 -7.836 2.264 1.00 0.00 O ATOM 499 CB LEU A 34 -7.394 -10.623 2.806 1.00 0.00 C ATOM 500 CG LEU A 34 -7.626 -11.924 2.037 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.707 -11.655 0.543 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.521 -12.926 2.341 1.00 0.00 C ATOM 0 H LEU A 34 -5.632 -11.763 4.161 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.459 -10.319 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.763 -10.755 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.998 -9.840 2.347 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.576 -12.350 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.872 -12.593 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.533 -10.973 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.774 -11.206 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.702 -13.846 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.559 -12.507 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.510 -13.143 3.409 1.00 0.00 H new ATOM 514 N VAL A 35 -6.229 -8.257 4.387 1.00 0.00 N ATOM 515 CA VAL A 35 -6.235 -6.853 4.779 1.00 0.00 C ATOM 516 C VAL A 35 -4.999 -6.130 4.255 1.00 0.00 C ATOM 517 O VAL A 35 -5.106 -5.140 3.530 1.00 0.00 O ATOM 518 CB VAL A 35 -6.295 -6.698 6.311 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.276 -5.227 6.700 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.529 -7.390 6.868 1.00 0.00 C ATOM 0 H VAL A 35 -6.482 -8.904 5.134 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.127 -6.406 4.340 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.414 -7.174 6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.319 -5.137 7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.359 -4.766 6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.136 -4.723 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.555 -7.271 7.951 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.424 -6.945 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.494 -8.451 6.621 1.00 0.00 H new ATOM 530 N LEU A 36 -3.826 -6.632 4.624 1.00 0.00 N ATOM 531 CA LEU A 36 -2.567 -6.035 4.190 1.00 0.00 C ATOM 532 C LEU A 36 -2.395 -6.165 2.680 1.00 0.00 C ATOM 533 O LEU A 36 -1.819 -5.291 2.034 1.00 0.00 O ATOM 534 CB LEU A 36 -1.391 -6.699 4.907 1.00 0.00 C ATOM 535 CG LEU A 36 -0.069 -5.931 4.881 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.141 -4.713 5.789 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.082 -6.837 5.293 1.00 0.00 C ATOM 0 H LEU A 36 -3.720 -7.451 5.223 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.589 -4.976 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.672 -6.864 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.227 -7.680 4.462 1.00 0.00 H new ATOM 0 HG LEU A 36 0.110 -5.589 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.809 -4.179 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.940 -4.053 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.344 -5.033 6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.015 -6.274 5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.909 -7.209 6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.148 -7.678 4.603 1.00 0.00 H new ATOM 549 N ASN A 37 -2.902 -7.261 2.124 1.00 0.00 N ATOM 550 CA ASN A 37 -2.806 -7.504 0.689 1.00 0.00 C ATOM 551 C ASN A 37 -3.539 -6.421 -0.097 1.00 0.00 C ATOM 552 O ASN A 37 -2.931 -5.685 -0.874 1.00 0.00 O ATOM 553 CB ASN A 37 -3.382 -8.878 0.344 1.00 0.00 C ATOM 554 CG ASN A 37 -2.354 -9.986 0.474 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.209 -9.838 0.045 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.759 -11.102 1.068 1.00 0.00 N ATOM 0 H ASN A 37 -3.383 -7.994 2.645 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.752 -7.479 0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.226 -9.090 1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.767 -8.862 -0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.112 -11.882 1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.718 -11.180 1.408 1.00 0.00 H new ATOM 563 N GLU A 38 -4.848 -6.330 0.112 1.00 0.00 N ATOM 564 CA GLU A 38 -5.664 -5.336 -0.577 1.00 0.00 C ATOM 565 C GLU A 38 -5.128 -3.929 -0.333 1.00 0.00 C ATOM 566 O GLU A 38 -5.067 -3.109 -1.251 1.00 0.00 O ATOM 567 CB GLU A 38 -7.119 -5.428 -0.112 1.00 0.00 C ATOM 568 CG GLU A 38 -7.274 -5.967 1.300 1.00 0.00 C ATOM 569 CD GLU A 38 -8.472 -5.380 2.020 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.595 -5.885 1.811 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.288 -4.417 2.792 1.00 0.00 O ATOM 0 H GLU A 38 -5.366 -6.932 0.752 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.618 -5.543 -1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.572 -4.438 -0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.671 -6.069 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.373 -7.052 1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.370 -5.749 1.869 1.00 0.00 H new ATOM 578 N ILE A 39 -4.742 -3.656 0.908 1.00 0.00 N ATOM 579 CA ILE A 39 -4.210 -2.348 1.272 1.00 0.00 C ATOM 580 C ILE A 39 -2.925 -2.045 0.510 1.00 0.00 C ATOM 581 O ILE A 39 -2.825 -1.032 -0.182 1.00 0.00 O ATOM 582 CB ILE A 39 -3.933 -2.254 2.784 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.247 -2.258 3.568 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.126 -1.003 3.098 1.00 0.00 C ATOM 585 CD1 ILE A 39 -5.058 -2.374 5.064 1.00 0.00 C ATOM 0 H ILE A 39 -4.787 -4.323 1.679 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.969 -1.613 1.004 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.350 -3.124 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.794 -1.341 3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.864 -3.087 3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.938 -0.951 4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.176 -1.039 2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.685 -0.121 2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.031 -2.370 5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.539 -3.304 5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.468 -1.531 5.423 1.00 0.00 H new ATOM 597 N ARG A 40 -1.943 -2.931 0.642 1.00 0.00 N ATOM 598 CA ARG A 40 -0.663 -2.760 -0.034 1.00 0.00 C ATOM 599 C ARG A 40 -0.866 -2.503 -1.525 1.00 0.00 C ATOM 600 O ARG A 40 -0.452 -1.469 -2.048 1.00 0.00 O ATOM 601 CB ARG A 40 0.214 -3.997 0.167 1.00 0.00 C ATOM 602 CG ARG A 40 1.688 -3.750 -0.112 1.00 0.00 C ATOM 603 CD ARG A 40 2.444 -5.055 -0.309 1.00 0.00 C ATOM 604 NE ARG A 40 2.879 -5.633 0.960 1.00 0.00 N ATOM 605 CZ ARG A 40 3.753 -6.629 1.052 1.00 0.00 C ATOM 606 NH1 ARG A 40 4.283 -7.154 -0.043 1.00 0.00 N ATOM 607 NH2 ARG A 40 4.100 -7.100 2.243 1.00 0.00 N ATOM 0 H ARG A 40 -2.010 -3.775 1.211 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.163 -1.895 0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.101 -4.349 1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.142 -4.794 -0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.792 -3.130 -1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.128 -3.195 0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.807 -5.768 -0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.313 -4.878 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 40 2.491 -5.251 1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.020 -6.793 -0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.954 -7.919 0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.696 -6.697 3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.771 -7.865 2.313 1.00 0.00 H new ATOM 621 N GLU A 41 -1.504 -3.452 -2.202 1.00 0.00 N ATOM 622 CA GLU A 41 -1.760 -3.329 -3.632 1.00 0.00 C ATOM 623 C GLU A 41 -2.504 -2.033 -3.942 1.00 0.00 C ATOM 624 O GLU A 41 -2.251 -1.387 -4.959 1.00 0.00 O ATOM 625 CB GLU A 41 -2.569 -4.527 -4.133 1.00 0.00 C ATOM 626 CG GLU A 41 -4.072 -4.307 -4.091 1.00 0.00 C ATOM 627 CD GLU A 41 -4.851 -5.607 -4.035 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.300 -6.608 -3.531 1.00 0.00 O ATOM 629 OE2 GLU A 41 -6.012 -5.622 -4.495 1.00 0.00 O ATOM 0 H GLU A 41 -1.853 -4.314 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.799 -3.308 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.272 -4.753 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.321 -5.400 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.322 -3.700 -3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.377 -3.742 -4.972 1.00 0.00 H new ATOM 636 N ASP A 42 -3.423 -1.660 -3.058 1.00 0.00 N ATOM 637 CA ASP A 42 -4.204 -0.441 -3.236 1.00 0.00 C ATOM 638 C ASP A 42 -3.292 0.777 -3.348 1.00 0.00 C ATOM 639 O ASP A 42 -3.491 1.638 -4.206 1.00 0.00 O ATOM 640 CB ASP A 42 -5.177 -0.260 -2.070 1.00 0.00 C ATOM 641 CG ASP A 42 -6.520 -0.914 -2.330 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.561 -1.900 -3.096 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.530 -0.440 -1.769 1.00 0.00 O ATOM 0 H ASP A 42 -3.645 -2.184 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.771 -0.533 -4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.739 -0.683 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.324 0.804 -1.885 1.00 0.00 H new ATOM 648 N LEU A 43 -2.293 0.844 -2.475 1.00 0.00 N ATOM 649 CA LEU A 43 -1.351 1.958 -2.475 1.00 0.00 C ATOM 650 C LEU A 43 -0.498 1.949 -3.739 1.00 0.00 C ATOM 651 O LEU A 43 -0.041 2.996 -4.198 1.00 0.00 O ATOM 652 CB LEU A 43 -0.452 1.891 -1.239 1.00 0.00 C ATOM 653 CG LEU A 43 -0.936 2.670 -0.015 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.052 2.527 1.133 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.142 4.137 -0.363 1.00 0.00 C ATOM 0 H LEU A 43 -2.114 0.141 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.923 2.886 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.334 0.845 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.536 2.260 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.893 2.254 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.309 3.088 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.150 1.475 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.023 2.916 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.486 4.675 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.200 4.566 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.887 4.222 -1.154 1.00 0.00 H new ATOM 667 N ARG A 44 -0.289 0.762 -4.298 1.00 0.00 N ATOM 668 CA ARG A 44 0.509 0.617 -5.509 1.00 0.00 C ATOM 669 C ARG A 44 -0.321 0.942 -6.748 1.00 0.00 C ATOM 670 O ARG A 44 0.211 1.385 -7.766 1.00 0.00 O ATOM 671 CB ARG A 44 1.064 -0.804 -5.613 1.00 0.00 C ATOM 672 CG ARG A 44 2.389 -0.888 -6.354 1.00 0.00 C ATOM 673 CD ARG A 44 3.053 -2.241 -6.157 1.00 0.00 C ATOM 674 NE ARG A 44 4.104 -2.484 -7.141 1.00 0.00 N ATOM 675 CZ ARG A 44 4.901 -3.547 -7.119 1.00 0.00 C ATOM 676 NH1 ARG A 44 4.767 -4.460 -6.167 1.00 0.00 N ATOM 677 NH2 ARG A 44 5.835 -3.697 -8.050 1.00 0.00 N ATOM 0 H ARG A 44 -0.662 -0.114 -3.931 1.00 0.00 H new ATOM 0 HA ARG A 44 1.340 1.321 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.192 -1.209 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.333 -1.434 -6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.224 -0.714 -7.417 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.055 -0.100 -6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.476 -2.294 -5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.301 -3.027 -6.228 1.00 0.00 H new ATOM 0 HE ARG A 44 4.234 -1.800 -7.886 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.051 -4.347 -5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.380 -5.275 -6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.941 -2.996 -8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.446 -4.513 -8.032 1.00 0.00 H new ATOM 691 N VAL A 45 -1.628 0.717 -6.655 1.00 0.00 N ATOM 692 CA VAL A 45 -2.531 0.986 -7.767 1.00 0.00 C ATOM 693 C VAL A 45 -3.066 2.413 -7.708 1.00 0.00 C ATOM 694 O VAL A 45 -3.444 2.986 -8.729 1.00 0.00 O ATOM 695 CB VAL A 45 -3.719 0.005 -7.775 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.260 -1.392 -7.387 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.818 0.492 -6.844 1.00 0.00 C ATOM 0 H VAL A 45 -2.085 0.349 -5.821 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.954 0.855 -8.682 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.124 -0.040 -8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.112 -2.071 -7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.510 -1.739 -8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.828 -1.368 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.649 -0.213 -6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.428 0.567 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.166 1.471 -7.173 1.00 0.00 H new ATOM 707 N GLU A 46 -3.092 2.980 -6.506 1.00 0.00 N ATOM 708 CA GLU A 46 -3.580 4.341 -6.315 1.00 0.00 C ATOM 709 C GLU A 46 -2.524 5.361 -6.729 1.00 0.00 C ATOM 710 O GLU A 46 -2.823 6.331 -7.427 1.00 0.00 O ATOM 711 CB GLU A 46 -3.976 4.564 -4.854 1.00 0.00 C ATOM 712 CG GLU A 46 -2.825 5.026 -3.976 1.00 0.00 C ATOM 713 CD GLU A 46 -3.273 5.400 -2.576 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.467 5.208 -2.265 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.430 5.886 -1.793 1.00 0.00 O ATOM 0 H GLU A 46 -2.781 2.519 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.458 4.477 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.774 5.305 -4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.380 3.636 -4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.079 4.234 -3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.341 5.885 -4.440 1.00 0.00 H new ATOM 722 N CYS A 47 -1.290 5.135 -6.294 1.00 0.00 N ATOM 723 CA CYS A 47 -0.188 6.035 -6.618 1.00 0.00 C ATOM 724 C CYS A 47 0.232 5.877 -8.076 1.00 0.00 C ATOM 725 O CYS A 47 0.953 6.715 -8.619 1.00 0.00 O ATOM 726 CB CYS A 47 1.004 5.766 -5.699 1.00 0.00 C ATOM 727 SG CYS A 47 0.670 6.070 -3.948 1.00 0.00 S ATOM 0 H CYS A 47 -1.027 4.337 -5.716 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.530 7.059 -6.466 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.318 4.730 -5.823 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.839 6.392 -6.013 1.00 0.00 H new ATOM 0 HG CYS A 47 0.261 4.971 -3.387 1.00 0.00 H new ATOM 733 N SER A 48 -0.222 4.798 -8.704 1.00 0.00 N ATOM 734 CA SER A 48 0.111 4.527 -10.098 1.00 0.00 C ATOM 735 C SER A 48 -0.864 5.232 -11.036 1.00 0.00 C ATOM 736 O SER A 48 -0.565 5.452 -12.210 1.00 0.00 O ATOM 737 CB SER A 48 0.094 3.021 -10.365 1.00 0.00 C ATOM 738 OG SER A 48 0.318 2.743 -11.736 1.00 0.00 O ATOM 0 H SER A 48 -0.822 4.096 -8.270 1.00 0.00 H new ATOM 0 HA SER A 48 1.113 4.911 -10.288 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.860 2.533 -9.762 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.866 2.605 -10.059 1.00 0.00 H new ATOM 0 HG SER A 48 0.807 3.487 -12.145 1.00 0.00 H new ATOM 744 N LYS A 49 -2.032 5.584 -10.510 1.00 0.00 N ATOM 745 CA LYS A 49 -3.052 6.265 -11.298 1.00 0.00 C ATOM 746 C LYS A 49 -2.451 7.435 -12.071 1.00 0.00 C ATOM 747 O LYS A 49 -2.765 7.643 -13.244 1.00 0.00 O ATOM 748 CB LYS A 49 -4.178 6.766 -10.389 1.00 0.00 C ATOM 749 CG LYS A 49 -4.843 5.664 -9.583 1.00 0.00 C ATOM 750 CD LYS A 49 -5.276 4.508 -10.468 1.00 0.00 C ATOM 751 CE LYS A 49 -6.089 3.484 -9.691 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.533 3.845 -9.642 1.00 0.00 N ATOM 0 H LYS A 49 -2.296 5.409 -9.540 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.460 5.551 -12.013 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.776 7.513 -9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.932 7.264 -10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.152 5.301 -8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.710 6.067 -9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.868 4.888 -11.301 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.396 4.027 -10.896 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.975 2.503 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.700 3.405 -8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.053 3.123 -9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.644 4.769 -9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.911 3.895 -10.609 1.00 0.00 H new ATOM 766 N PHE A 50 -1.586 8.194 -11.409 1.00 0.00 N ATOM 767 CA PHE A 50 -0.940 9.343 -12.035 1.00 0.00 C ATOM 768 C PHE A 50 0.275 8.907 -12.847 1.00 0.00 C ATOM 769 O PHE A 50 0.633 9.542 -13.838 1.00 0.00 O ATOM 770 CB PHE A 50 -0.520 10.360 -10.972 1.00 0.00 C ATOM 771 CG PHE A 50 -1.461 10.431 -9.804 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.556 11.281 -9.830 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.252 9.648 -8.680 1.00 0.00 C ATOM 774 CE1 PHE A 50 -3.424 11.348 -8.757 1.00 0.00 C ATOM 775 CE2 PHE A 50 -2.117 9.711 -7.604 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.204 10.563 -7.642 1.00 0.00 C ATOM 0 H PHE A 50 -1.315 8.035 -10.439 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.658 9.809 -12.710 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.476 10.105 -10.610 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.450 11.346 -11.432 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.733 11.898 -10.699 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.403 8.981 -8.644 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.274 12.014 -8.790 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.943 9.095 -6.734 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.880 10.615 -6.802 1.00 0.00 H new ATOM 786 N GLY A 51 0.907 7.818 -12.419 1.00 0.00 N ATOM 787 CA GLY A 51 2.076 7.316 -13.117 1.00 0.00 C ATOM 788 C GLY A 51 2.408 5.886 -12.738 1.00 0.00 C ATOM 789 O GLY A 51 1.637 4.969 -13.017 1.00 0.00 O ATOM 0 H GLY A 51 0.630 7.275 -11.601 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.906 7.374 -14.192 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.930 7.955 -12.895 1.00 0.00 H new ATOM 793 N GLN A 52 3.560 5.697 -12.102 1.00 0.00 N ATOM 794 CA GLN A 52 3.992 4.367 -11.687 1.00 0.00 C ATOM 795 C GLN A 52 4.384 4.358 -10.213 1.00 0.00 C ATOM 796 O GLN A 52 4.224 5.358 -9.512 1.00 0.00 O ATOM 797 CB GLN A 52 5.172 3.901 -12.543 1.00 0.00 C ATOM 798 CG GLN A 52 4.753 3.238 -13.845 1.00 0.00 C ATOM 799 CD GLN A 52 4.600 1.735 -13.711 1.00 0.00 C ATOM 800 OE1 GLN A 52 3.499 1.230 -13.490 1.00 0.00 O ATOM 801 NE2 GLN A 52 5.706 1.013 -13.845 1.00 0.00 N ATOM 0 H GLN A 52 4.210 6.446 -11.863 1.00 0.00 H new ATOM 0 HA GLN A 52 3.157 3.681 -11.827 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.807 4.758 -12.769 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.775 3.200 -11.966 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.809 3.667 -14.180 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.493 3.457 -14.615 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.597 1.474 -14.028 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.665 -0.003 -13.765 1.00 0.00 H new ATOM 810 N ILE A 53 4.895 3.223 -9.749 1.00 0.00 N ATOM 811 CA ILE A 53 5.309 3.084 -8.358 1.00 0.00 C ATOM 812 C ILE A 53 6.759 2.623 -8.260 1.00 0.00 C ATOM 813 O ILE A 53 7.044 1.426 -8.290 1.00 0.00 O ATOM 814 CB ILE A 53 4.413 2.087 -7.600 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.979 2.151 -8.131 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.444 2.375 -6.107 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.250 3.420 -7.748 1.00 0.00 C ATOM 0 H ILE A 53 5.032 2.386 -10.316 1.00 0.00 H new ATOM 0 HA ILE A 53 5.211 4.068 -7.900 1.00 0.00 H new ATOM 0 HB ILE A 53 4.797 1.080 -7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.998 2.066 -9.218 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.422 1.293 -7.754 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.806 1.662 -5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.466 2.283 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.082 3.387 -5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.240 3.397 -8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.199 3.497 -6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.785 4.282 -8.148 1.00 0.00 H new ATOM 829 N ARG A 54 7.672 3.582 -8.140 1.00 0.00 N ATOM 830 CA ARG A 54 9.094 3.274 -8.037 1.00 0.00 C ATOM 831 C ARG A 54 9.347 2.233 -6.951 1.00 0.00 C ATOM 832 O ARG A 54 10.178 1.339 -7.113 1.00 0.00 O ATOM 833 CB ARG A 54 9.891 4.545 -7.736 1.00 0.00 C ATOM 834 CG ARG A 54 10.380 5.266 -8.982 1.00 0.00 C ATOM 835 CD ARG A 54 11.655 4.640 -9.524 1.00 0.00 C ATOM 836 NE ARG A 54 11.376 3.575 -10.484 1.00 0.00 N ATOM 837 CZ ARG A 54 12.228 2.594 -10.762 1.00 0.00 C ATOM 838 NH1 ARG A 54 13.406 2.544 -10.155 1.00 0.00 N ATOM 839 NH2 ARG A 54 11.902 1.661 -11.647 1.00 0.00 N ATOM 0 H ARG A 54 7.453 4.578 -8.112 1.00 0.00 H new ATOM 0 HA ARG A 54 9.422 2.864 -8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.269 5.225 -7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.749 4.287 -7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.605 5.237 -9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.559 6.316 -8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.262 5.409 -10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.242 4.239 -8.698 1.00 0.00 H new ATOM 0 HE ARG A 54 10.478 3.585 -10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.659 3.259 -9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.059 1.790 -10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.996 1.696 -12.115 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.557 0.909 -11.859 1.00 0.00 H new ATOM 853 N LYS A 55 8.625 2.355 -5.842 1.00 0.00 N ATOM 854 CA LYS A 55 8.770 1.425 -4.728 1.00 0.00 C ATOM 855 C LYS A 55 7.603 1.556 -3.754 1.00 0.00 C ATOM 856 O LYS A 55 7.078 2.650 -3.543 1.00 0.00 O ATOM 857 CB LYS A 55 10.090 1.676 -3.995 1.00 0.00 C ATOM 858 CG LYS A 55 10.680 0.428 -3.361 1.00 0.00 C ATOM 859 CD LYS A 55 11.702 0.776 -2.292 1.00 0.00 C ATOM 860 CE LYS A 55 11.942 -0.392 -1.349 1.00 0.00 C ATOM 861 NZ LYS A 55 13.008 -0.092 -0.353 1.00 0.00 N ATOM 0 H LYS A 55 7.933 3.089 -5.691 1.00 0.00 H new ATOM 0 HA LYS A 55 8.772 0.412 -5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.812 2.093 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.929 2.426 -3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.882 -0.170 -2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.151 -0.184 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.641 1.062 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.356 1.639 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.016 -0.634 -0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.222 -1.273 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.857 -0.666 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.938 -0.317 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.975 0.917 -0.102 1.00 0.00 H new ATOM 875 N LEU A 56 7.203 0.436 -3.163 1.00 0.00 N ATOM 876 CA LEU A 56 6.098 0.426 -2.210 1.00 0.00 C ATOM 877 C LEU A 56 6.450 -0.401 -0.978 1.00 0.00 C ATOM 878 O LEU A 56 6.816 -1.572 -1.086 1.00 0.00 O ATOM 879 CB LEU A 56 4.835 -0.131 -2.869 1.00 0.00 C ATOM 880 CG LEU A 56 3.506 0.343 -2.280 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.106 1.683 -2.877 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.418 -0.694 -2.515 1.00 0.00 C ATOM 0 H LEU A 56 7.627 -0.477 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 56 5.913 1.453 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.855 0.132 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.868 -1.219 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 56 3.632 0.470 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.158 2.005 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.875 2.424 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.998 1.583 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.479 -0.340 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.293 -0.854 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.701 -1.633 -2.039 1.00 0.00 H new ATOM 894 N LEU A 57 6.336 0.215 0.194 1.00 0.00 N ATOM 895 CA LEU A 57 6.639 -0.465 1.448 1.00 0.00 C ATOM 896 C LEU A 57 5.577 -0.166 2.501 1.00 0.00 C ATOM 897 O LEU A 57 5.380 0.986 2.890 1.00 0.00 O ATOM 898 CB LEU A 57 8.016 -0.040 1.962 1.00 0.00 C ATOM 899 CG LEU A 57 9.172 -0.167 0.969 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.395 0.583 1.473 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.505 -1.632 0.724 1.00 0.00 C ATOM 0 H LEU A 57 6.036 1.184 0.302 1.00 0.00 H new ATOM 0 HA LEU A 57 6.644 -1.538 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.955 0.999 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.253 -0.637 2.843 1.00 0.00 H new ATOM 0 HG LEU A 57 8.864 0.278 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.207 0.481 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.150 1.638 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.706 0.169 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.330 -1.704 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.793 -2.102 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.631 -2.141 0.317 1.00 0.00 H new ATOM 913 N LEU A 58 4.896 -1.210 2.960 1.00 0.00 N ATOM 914 CA LEU A 58 3.854 -1.060 3.970 1.00 0.00 C ATOM 915 C LEU A 58 4.386 -1.409 5.357 1.00 0.00 C ATOM 916 O LEU A 58 4.755 -2.554 5.622 1.00 0.00 O ATOM 917 CB LEU A 58 2.657 -1.950 3.632 1.00 0.00 C ATOM 918 CG LEU A 58 1.283 -1.401 4.019 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.178 -2.264 3.429 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.148 -1.320 5.533 1.00 0.00 C ATOM 0 H LEU A 58 5.047 -2.170 2.649 1.00 0.00 H new ATOM 0 HA LEU A 58 3.534 -0.018 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.662 -2.139 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.794 -2.912 4.126 1.00 0.00 H new ATOM 0 HG LEU A 58 1.187 -0.395 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.792 -1.858 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.263 -2.271 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.271 -3.282 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.164 -0.927 5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.265 -2.315 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.918 -0.660 5.932 1.00 0.00 H new ATOM 932 N PHE A 59 4.421 -0.416 6.239 1.00 0.00 N ATOM 933 CA PHE A 59 4.906 -0.618 7.599 1.00 0.00 C ATOM 934 C PHE A 59 3.816 -1.216 8.482 1.00 0.00 C ATOM 935 O PHE A 59 3.074 -0.493 9.147 1.00 0.00 O ATOM 936 CB PHE A 59 5.389 0.707 8.193 1.00 0.00 C ATOM 937 CG PHE A 59 6.363 1.438 7.314 1.00 0.00 C ATOM 938 CD1 PHE A 59 7.293 0.742 6.559 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.349 2.822 7.243 1.00 0.00 C ATOM 940 CE1 PHE A 59 8.191 1.412 5.748 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.243 3.497 6.434 1.00 0.00 C ATOM 942 CZ PHE A 59 8.166 2.791 5.687 1.00 0.00 C ATOM 0 H PHE A 59 4.119 0.537 6.036 1.00 0.00 H new ATOM 0 HA PHE A 59 5.741 -1.317 7.560 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.527 1.348 8.379 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.857 0.514 9.158 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.317 -0.337 6.604 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.631 3.379 7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.910 0.857 5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.220 4.576 6.386 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.867 3.317 5.056 1.00 0.00 H new ATOM 952 N ASP A 60 3.724 -2.542 8.483 1.00 0.00 N ATOM 953 CA ASP A 60 2.725 -3.239 9.284 1.00 0.00 C ATOM 954 C ASP A 60 3.154 -3.310 10.746 1.00 0.00 C ATOM 955 O ASP A 60 2.979 -4.334 11.406 1.00 0.00 O ATOM 956 CB ASP A 60 2.496 -4.649 8.738 1.00 0.00 C ATOM 957 CG ASP A 60 3.726 -5.526 8.865 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.745 -5.215 8.214 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.669 -6.524 9.613 1.00 0.00 O ATOM 0 H ASP A 60 4.330 -3.155 7.938 1.00 0.00 H new ATOM 0 HA ASP A 60 1.792 -2.679 9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.666 -5.112 9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.205 -4.587 7.690 1.00 0.00 H new ATOM 964 N ARG A 61 3.718 -2.215 11.246 1.00 0.00 N ATOM 965 CA ARG A 61 4.174 -2.154 12.629 1.00 0.00 C ATOM 966 C ARG A 61 3.560 -0.959 13.352 1.00 0.00 C ATOM 967 O ARG A 61 3.358 -0.991 14.567 1.00 0.00 O ATOM 968 CB ARG A 61 5.700 -2.066 12.682 1.00 0.00 C ATOM 969 CG ARG A 61 6.395 -2.898 11.617 1.00 0.00 C ATOM 970 CD ARG A 61 5.996 -4.363 11.706 1.00 0.00 C ATOM 971 NE ARG A 61 7.074 -5.251 11.277 1.00 0.00 N ATOM 972 CZ ARG A 61 8.190 -5.441 11.972 1.00 0.00 C ATOM 973 NH1 ARG A 61 8.373 -4.810 13.124 1.00 0.00 N ATOM 974 NH2 ARG A 61 9.124 -6.265 11.517 1.00 0.00 N ATOM 0 H ARG A 61 3.870 -1.358 10.714 1.00 0.00 H new ATOM 0 HA ARG A 61 3.852 -3.066 13.132 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.000 -1.024 12.570 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.040 -2.392 13.665 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.144 -2.511 10.630 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.475 -2.806 11.730 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.717 -4.601 12.732 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.115 -4.537 11.088 1.00 0.00 H new ATOM 0 HE ARG A 61 6.964 -5.752 10.396 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.656 -4.177 13.478 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.231 -4.958 13.656 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.986 -6.754 10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.981 -6.410 12.052 1.00 0.00 H new ATOM 988 N HIS A 62 3.265 0.095 12.598 1.00 0.00 N ATOM 989 CA HIS A 62 2.674 1.301 13.166 1.00 0.00 C ATOM 990 C HIS A 62 1.165 1.144 13.325 1.00 0.00 C ATOM 991 O HIS A 62 0.444 0.844 12.373 1.00 0.00 O ATOM 992 CB HIS A 62 2.982 2.511 12.283 1.00 0.00 C ATOM 993 CG HIS A 62 3.192 3.778 13.054 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.244 4.308 13.903 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.250 4.620 13.101 1.00 0.00 C ATOM 996 CE1 HIS A 62 2.709 5.422 14.439 1.00 0.00 C ATOM 997 NE2 HIS A 62 3.925 5.634 13.969 1.00 0.00 N ATOM 0 H HIS A 62 3.426 0.138 11.592 1.00 0.00 H new ATOM 0 HA HIS A 62 3.111 1.460 14.152 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.875 2.302 11.693 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.162 2.655 11.580 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.177 4.515 12.557 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.184 6.052 15.142 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.525 6.422 14.211 1.00 0.00 H new ATOM 1005 N PRO A 63 0.674 1.350 14.556 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.753 1.235 14.869 1.00 0.00 C ATOM 1007 C PRO A 63 -1.574 2.360 14.247 1.00 0.00 C ATOM 1008 O PRO A 63 -2.777 2.469 14.487 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.791 1.327 16.396 1.00 0.00 C ATOM 1010 CG PRO A 63 0.439 2.086 16.760 1.00 0.00 C ATOM 1011 CD PRO A 63 1.475 1.710 15.738 1.00 0.00 C ATOM 0 HA PRO A 63 -1.184 0.315 14.474 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.689 1.840 16.740 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.795 0.337 16.852 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.252 3.160 16.750 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.772 1.830 17.766 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.151 2.539 15.528 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.089 0.875 16.077 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.918 3.193 13.448 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.588 4.309 12.790 1.00 0.00 C ATOM 1021 C ASP A 64 -1.545 4.152 11.273 1.00 0.00 C ATOM 1022 O ASP A 64 -1.735 5.116 10.533 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.938 5.633 13.196 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.586 6.243 14.424 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -1.501 5.628 15.508 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -2.177 7.336 14.301 1.00 0.00 O ATOM 0 H ASP A 64 0.078 3.117 13.240 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.631 4.312 13.107 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.122 5.469 13.391 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.004 6.337 12.366 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.292 2.928 10.817 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.228 2.667 9.391 1.00 0.00 C ATOM 1033 C GLY A 65 -0.284 3.610 8.672 1.00 0.00 C ATOM 1034 O GLY A 65 -0.695 4.668 8.195 1.00 0.00 O ATOM 0 H GLY A 65 -1.130 2.114 11.410 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.905 1.639 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.226 2.760 8.962 1.00 0.00 H new ATOM 1038 N VAL A 66 0.987 3.226 8.593 1.00 0.00 N ATOM 1039 CA VAL A 66 1.992 4.045 7.926 1.00 0.00 C ATOM 1040 C VAL A 66 2.613 3.303 6.748 1.00 0.00 C ATOM 1041 O VAL A 66 3.123 2.193 6.900 1.00 0.00 O ATOM 1042 CB VAL A 66 3.109 4.466 8.900 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.183 5.258 8.171 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.533 5.270 10.056 1.00 0.00 C ATOM 0 H VAL A 66 1.344 2.354 8.982 1.00 0.00 H new ATOM 0 HA VAL A 66 1.482 4.937 7.561 1.00 0.00 H new ATOM 0 HB VAL A 66 3.570 3.566 9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.963 5.547 8.875 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.616 4.643 7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.741 6.153 7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.336 5.559 10.734 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.045 6.165 9.669 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.805 4.663 10.594 1.00 0.00 H new ATOM 1054 N ALA A 67 2.566 3.923 5.574 1.00 0.00 N ATOM 1055 CA ALA A 67 3.126 3.323 4.370 1.00 0.00 C ATOM 1056 C ALA A 67 4.049 4.299 3.648 1.00 0.00 C ATOM 1057 O ALA A 67 3.865 5.513 3.723 1.00 0.00 O ATOM 1058 CB ALA A 67 2.011 2.862 3.442 1.00 0.00 C ATOM 0 H ALA A 67 2.146 4.841 5.431 1.00 0.00 H new ATOM 0 HA ALA A 67 3.718 2.457 4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.444 2.416 2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.394 2.123 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.396 3.716 3.160 1.00 0.00 H new ATOM 1064 N SER A 68 5.042 3.759 2.948 1.00 0.00 N ATOM 1065 CA SER A 68 5.997 4.583 2.216 1.00 0.00 C ATOM 1066 C SER A 68 5.932 4.291 0.720 1.00 0.00 C ATOM 1067 O SER A 68 6.335 3.219 0.267 1.00 0.00 O ATOM 1068 CB SER A 68 7.416 4.339 2.734 1.00 0.00 C ATOM 1069 OG SER A 68 7.574 3.003 3.178 1.00 0.00 O ATOM 0 H SER A 68 5.206 2.755 2.872 1.00 0.00 H new ATOM 0 HA SER A 68 5.735 5.629 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.136 4.550 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.631 5.026 3.553 1.00 0.00 H new ATOM 0 HG SER A 68 7.353 2.947 4.131 1.00 0.00 H new ATOM 1075 N VAL A 69 5.421 5.252 -0.043 1.00 0.00 N ATOM 1076 CA VAL A 69 5.303 5.099 -1.488 1.00 0.00 C ATOM 1077 C VAL A 69 6.305 5.987 -2.218 1.00 0.00 C ATOM 1078 O VAL A 69 6.144 7.206 -2.274 1.00 0.00 O ATOM 1079 CB VAL A 69 3.882 5.440 -1.974 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.628 4.836 -3.347 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.845 4.958 -0.971 1.00 0.00 C ATOM 0 H VAL A 69 5.082 6.145 0.316 1.00 0.00 H new ATOM 0 HA VAL A 69 5.515 4.054 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 69 3.796 6.523 -2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.619 5.087 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.350 5.235 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.732 3.752 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.847 5.208 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.928 3.878 -0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.016 5.443 -0.010 1.00 0.00 H new ATOM 1091 N SER A 70 7.339 5.367 -2.776 1.00 0.00 N ATOM 1092 CA SER A 70 8.370 6.101 -3.501 1.00 0.00 C ATOM 1093 C SER A 70 7.895 6.462 -4.905 1.00 0.00 C ATOM 1094 O SER A 70 7.103 5.739 -5.510 1.00 0.00 O ATOM 1095 CB SER A 70 9.654 5.273 -3.581 1.00 0.00 C ATOM 1096 OG SER A 70 10.055 4.827 -2.297 1.00 0.00 O ATOM 0 H SER A 70 7.486 4.358 -2.740 1.00 0.00 H new ATOM 0 HA SER A 70 8.574 7.024 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.497 4.415 -4.235 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.449 5.871 -4.026 1.00 0.00 H new ATOM 0 HG SER A 70 10.877 4.299 -2.376 1.00 0.00 H new ATOM 1102 N PHE A 71 8.385 7.586 -5.418 1.00 0.00 N ATOM 1103 CA PHE A 71 8.011 8.045 -6.750 1.00 0.00 C ATOM 1104 C PHE A 71 9.246 8.420 -7.563 1.00 0.00 C ATOM 1105 O PHE A 71 10.273 8.809 -7.007 1.00 0.00 O ATOM 1106 CB PHE A 71 7.066 9.245 -6.653 1.00 0.00 C ATOM 1107 CG PHE A 71 5.711 8.898 -6.107 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.527 8.698 -4.748 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.620 8.773 -6.952 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.281 8.379 -4.243 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.371 8.454 -6.453 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.201 8.258 -5.096 1.00 0.00 C ATOM 0 H PHE A 71 9.042 8.196 -4.931 1.00 0.00 H new ATOM 0 HA PHE A 71 7.498 7.228 -7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.521 10.005 -6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.948 9.685 -7.643 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.367 8.793 -4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.747 8.927 -8.013 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.151 8.224 -3.182 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.529 8.358 -7.123 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.226 8.011 -4.703 1.00 0.00 H new ATOM 1122 N ARG A 72 9.138 8.299 -8.882 1.00 0.00 N ATOM 1123 CA ARG A 72 10.246 8.623 -9.772 1.00 0.00 C ATOM 1124 C ARG A 72 10.261 10.113 -10.102 1.00 0.00 C ATOM 1125 O ARG A 72 11.246 10.806 -9.847 1.00 0.00 O ATOM 1126 CB ARG A 72 10.149 7.806 -11.062 1.00 0.00 C ATOM 1127 CG ARG A 72 11.196 8.177 -12.099 1.00 0.00 C ATOM 1128 CD ARG A 72 12.481 7.388 -11.900 1.00 0.00 C ATOM 1129 NE ARG A 72 12.457 6.114 -12.613 1.00 0.00 N ATOM 1130 CZ ARG A 72 12.681 5.997 -13.917 1.00 0.00 C ATOM 1131 NH1 ARG A 72 12.945 7.072 -14.647 1.00 0.00 N ATOM 1132 NH2 ARG A 72 12.642 4.802 -14.494 1.00 0.00 N ATOM 0 H ARG A 72 8.294 7.979 -9.358 1.00 0.00 H new ATOM 0 HA ARG A 72 11.175 8.372 -9.260 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.249 6.748 -10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.158 7.942 -11.494 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.803 7.988 -13.098 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.409 9.244 -12.037 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.328 7.981 -12.246 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.633 7.205 -10.836 1.00 0.00 H new ATOM 0 HE ARG A 72 12.257 5.267 -12.080 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.976 7.992 -14.207 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.117 6.979 -15.648 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.440 3.973 -13.936 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.814 4.713 -15.495 1.00 0.00 H new ATOM 1146 N ASP A 73 9.163 10.599 -10.671 1.00 0.00 N ATOM 1147 CA ASP A 73 9.049 12.006 -11.035 1.00 0.00 C ATOM 1148 C ASP A 73 8.459 12.819 -9.886 1.00 0.00 C ATOM 1149 O ASP A 73 7.513 12.400 -9.219 1.00 0.00 O ATOM 1150 CB ASP A 73 8.181 12.163 -12.285 1.00 0.00 C ATOM 1151 CG ASP A 73 7.109 11.096 -12.383 1.00 0.00 C ATOM 1152 OD1 ASP A 73 6.672 10.595 -11.326 1.00 0.00 O ATOM 1153 OD2 ASP A 73 6.707 10.760 -13.517 1.00 0.00 O ATOM 0 H ASP A 73 8.339 10.039 -10.890 1.00 0.00 H new ATOM 0 HA ASP A 73 10.050 12.383 -11.247 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.711 13.146 -12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.814 12.120 -13.171 1.00 0.00 H new ATOM 1158 N PRO A 74 9.031 14.008 -9.648 1.00 0.00 N ATOM 1159 CA PRO A 74 8.578 14.904 -8.579 1.00 0.00 C ATOM 1160 C PRO A 74 7.210 15.510 -8.871 1.00 0.00 C ATOM 1161 O PRO A 74 6.446 15.811 -7.955 1.00 0.00 O ATOM 1162 CB PRO A 74 9.652 15.995 -8.553 1.00 0.00 C ATOM 1163 CG PRO A 74 10.225 15.996 -9.928 1.00 0.00 C ATOM 1164 CD PRO A 74 10.162 14.571 -10.404 1.00 0.00 C ATOM 0 HA PRO A 74 8.459 14.380 -7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.224 16.966 -8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.416 15.780 -7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.657 16.653 -10.587 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.252 16.361 -9.922 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.995 14.514 -11.480 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.089 14.037 -10.197 1.00 0.00 H new ATOM 1172 N GLU A 75 6.907 15.686 -10.154 1.00 0.00 N ATOM 1173 CA GLU A 75 5.630 16.257 -10.565 1.00 0.00 C ATOM 1174 C GLU A 75 4.469 15.382 -10.102 1.00 0.00 C ATOM 1175 O GLU A 75 3.494 15.876 -9.537 1.00 0.00 O ATOM 1176 CB GLU A 75 5.585 16.420 -12.086 1.00 0.00 C ATOM 1177 CG GLU A 75 6.700 17.292 -12.638 1.00 0.00 C ATOM 1178 CD GLU A 75 6.555 17.553 -14.125 1.00 0.00 C ATOM 1179 OE1 GLU A 75 5.512 18.107 -14.530 1.00 0.00 O ATOM 1180 OE2 GLU A 75 7.483 17.203 -14.882 1.00 0.00 O ATOM 0 H GLU A 75 7.528 15.442 -10.925 1.00 0.00 H new ATOM 0 HA GLU A 75 5.532 17.237 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.642 15.435 -12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.624 16.851 -12.369 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.710 18.243 -12.105 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.660 16.811 -12.449 1.00 0.00 H new ATOM 1187 N GLU A 76 4.582 14.080 -10.346 1.00 0.00 N ATOM 1188 CA GLU A 76 3.541 13.137 -9.956 1.00 0.00 C ATOM 1189 C GLU A 76 3.347 13.137 -8.442 1.00 0.00 C ATOM 1190 O GLU A 76 2.298 13.540 -7.940 1.00 0.00 O ATOM 1191 CB GLU A 76 3.893 11.727 -10.435 1.00 0.00 C ATOM 1192 CG GLU A 76 3.505 11.461 -11.880 1.00 0.00 C ATOM 1193 CD GLU A 76 3.861 12.612 -12.801 1.00 0.00 C ATOM 1194 OE1 GLU A 76 5.000 13.116 -12.707 1.00 0.00 O ATOM 1195 OE2 GLU A 76 3.001 13.009 -13.615 1.00 0.00 O ATOM 0 H GLU A 76 5.384 13.655 -10.812 1.00 0.00 H new ATOM 0 HA GLU A 76 2.609 13.450 -10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.966 11.571 -10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.395 11.000 -9.794 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.005 10.556 -12.226 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.433 11.274 -11.936 1.00 0.00 H new ATOM 1202 N ALA A 77 4.366 12.682 -7.721 1.00 0.00 N ATOM 1203 CA ALA A 77 4.309 12.631 -6.265 1.00 0.00 C ATOM 1204 C ALA A 77 3.696 13.905 -5.694 1.00 0.00 C ATOM 1205 O ALA A 77 2.616 13.875 -5.103 1.00 0.00 O ATOM 1206 CB ALA A 77 5.700 12.409 -5.690 1.00 0.00 C ATOM 0 H ALA A 77 5.241 12.343 -8.121 1.00 0.00 H new ATOM 0 HA ALA A 77 3.672 11.794 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.643 12.373 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.102 11.467 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.353 13.228 -5.992 1.00 0.00 H new ATOM 1212 N ASP A 78 4.390 15.023 -5.876 1.00 0.00 N ATOM 1213 CA ASP A 78 3.913 16.309 -5.379 1.00 0.00 C ATOM 1214 C ASP A 78 2.429 16.490 -5.679 1.00 0.00 C ATOM 1215 O ASP A 78 1.728 17.221 -4.978 1.00 0.00 O ATOM 1216 CB ASP A 78 4.716 17.451 -6.004 1.00 0.00 C ATOM 1217 CG ASP A 78 4.367 18.799 -5.405 1.00 0.00 C ATOM 1218 OD1 ASP A 78 4.396 18.922 -4.163 1.00 0.00 O ATOM 1219 OD2 ASP A 78 4.064 19.732 -6.179 1.00 0.00 O ATOM 0 H ASP A 78 5.285 15.065 -6.364 1.00 0.00 H new ATOM 0 HA ASP A 78 4.052 16.327 -4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.780 17.260 -5.867 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.532 17.475 -7.078 1.00 0.00 H new ATOM 1224 N TYR A 79 1.956 15.823 -6.726 1.00 0.00 N ATOM 1225 CA TYR A 79 0.556 15.914 -7.122 1.00 0.00 C ATOM 1226 C TYR A 79 -0.256 14.772 -6.518 1.00 0.00 C ATOM 1227 O TYR A 79 -1.467 14.889 -6.328 1.00 0.00 O ATOM 1228 CB TYR A 79 0.432 15.892 -8.646 1.00 0.00 C ATOM 1229 CG TYR A 79 -0.997 15.909 -9.138 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.007 16.487 -8.378 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.339 15.348 -10.362 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.315 16.505 -8.823 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.644 15.362 -10.815 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.628 15.942 -10.042 1.00 0.00 C ATOM 1235 OH TYR A 79 -4.929 15.957 -10.490 1.00 0.00 O ATOM 0 H TYR A 79 2.522 15.213 -7.316 1.00 0.00 H new ATOM 0 HA TYR A 79 0.159 16.857 -6.746 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.959 16.753 -9.057 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.929 15.001 -9.030 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.765 16.930 -7.423 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.571 14.893 -10.970 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.088 16.958 -8.219 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.892 14.921 -11.769 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.978 15.521 -11.366 1.00 0.00 H new ATOM 1245 N CYS A 80 0.420 13.668 -6.218 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.236 12.503 -5.636 1.00 0.00 C ATOM 1247 C CYS A 80 -0.463 12.698 -4.140 1.00 0.00 C ATOM 1248 O CYS A 80 -1.373 12.107 -3.558 1.00 0.00 O ATOM 1249 CB CYS A 80 0.600 11.246 -5.878 1.00 0.00 C ATOM 1250 SG CYS A 80 1.120 11.024 -7.596 1.00 0.00 S ATOM 0 H CYS A 80 1.423 13.556 -6.368 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.205 12.383 -6.120 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.486 11.284 -5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.024 10.374 -5.569 1.00 0.00 H new ATOM 0 HG CYS A 80 0.132 10.542 -8.290 1.00 0.00 H new ATOM 1256 N ILE A 81 0.371 13.529 -3.524 1.00 0.00 N ATOM 1257 CA ILE A 81 0.262 13.800 -2.096 1.00 0.00 C ATOM 1258 C ILE A 81 -0.949 14.676 -1.794 1.00 0.00 C ATOM 1259 O ILE A 81 -1.491 14.642 -0.690 1.00 0.00 O ATOM 1260 CB ILE A 81 1.528 14.491 -1.556 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.480 15.992 -1.846 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.774 13.868 -2.169 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.696 16.781 -0.820 1.00 0.00 C ATOM 0 H ILE A 81 1.129 14.026 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 81 0.144 12.837 -1.600 1.00 0.00 H new ATOM 0 HB ILE A 81 1.568 14.350 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.498 16.378 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.037 16.150 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.661 14.367 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.813 12.808 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.742 13.982 -3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.704 17.837 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.333 16.421 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.151 16.653 0.162 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.368 15.459 -2.784 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.516 16.343 -2.624 1.00 0.00 C ATOM 1277 C GLN A 82 -3.805 15.642 -3.040 1.00 0.00 C ATOM 1278 O GLN A 82 -4.895 16.011 -2.602 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.325 17.616 -3.449 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.755 17.363 -4.835 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.711 18.617 -5.686 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.688 18.966 -6.349 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.574 19.303 -5.672 1.00 0.00 N ATOM 0 H GLN A 82 -0.930 15.499 -3.704 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.593 16.610 -1.570 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.285 18.123 -3.547 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.661 18.292 -2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.748 16.957 -4.741 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.358 16.607 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.211 18.978 -5.108 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.486 20.155 -6.225 1.00 0.00 H new ATOM 1292 N THR A 83 -3.674 14.629 -3.891 1.00 0.00 N ATOM 1293 CA THR A 83 -4.828 13.877 -4.368 1.00 0.00 C ATOM 1294 C THR A 83 -5.047 12.619 -3.536 1.00 0.00 C ATOM 1295 O THR A 83 -6.156 12.086 -3.478 1.00 0.00 O ATOM 1296 CB THR A 83 -4.666 13.479 -5.847 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.855 14.623 -6.687 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.662 12.394 -6.228 1.00 0.00 C ATOM 0 H THR A 83 -2.780 14.310 -4.264 1.00 0.00 H new ATOM 0 HA THR A 83 -5.695 14.530 -4.268 1.00 0.00 H new ATOM 0 HB THR A 83 -3.657 13.090 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.036 14.793 -7.198 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.528 12.130 -7.277 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.496 11.513 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.677 12.761 -6.073 1.00 0.00 H new ATOM 1306 N LEU A 84 -3.985 12.149 -2.892 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.061 10.952 -2.061 1.00 0.00 C ATOM 1308 C LEU A 84 -4.306 11.318 -0.601 1.00 0.00 C ATOM 1309 O LEU A 84 -4.555 10.449 0.234 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.772 10.138 -2.185 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.473 9.561 -3.569 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.092 8.925 -3.596 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.537 8.548 -3.966 1.00 0.00 C ATOM 0 H LEU A 84 -3.060 12.578 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.899 10.349 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.936 10.772 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.816 9.315 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.489 10.376 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.897 8.520 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.340 9.677 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.047 8.121 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.308 8.148 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.554 7.735 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.512 9.035 -3.989 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.236 12.610 -0.300 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.453 13.093 1.059 1.00 0.00 C ATOM 1327 C ASP A 85 -5.932 13.029 1.428 1.00 0.00 C ATOM 1328 O ASP A 85 -6.317 13.358 2.549 1.00 0.00 O ATOM 1329 CB ASP A 85 -3.941 14.526 1.202 1.00 0.00 C ATOM 1330 CG ASP A 85 -4.609 15.480 0.232 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -5.658 15.110 -0.337 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -4.085 16.597 0.042 1.00 0.00 O ATOM 0 H ASP A 85 -4.030 13.342 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.898 12.448 1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.113 14.870 2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.863 14.542 1.038 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.757 12.604 0.475 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.184 12.505 0.720 1.00 0.00 C ATOM 1339 C GLY A 86 -8.734 11.130 0.399 1.00 0.00 C ATOM 1340 O GLY A 86 -9.941 10.901 0.484 1.00 0.00 O ATOM 0 H GLY A 86 -6.462 12.327 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.387 12.739 1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.705 13.251 0.119 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.848 10.212 0.027 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.252 8.852 -0.310 1.00 0.00 C ATOM 1346 C ARG A 87 -8.900 8.165 0.888 1.00 0.00 C ATOM 1347 O ARG A 87 -8.816 8.651 2.016 1.00 0.00 O ATOM 1348 CB ARG A 87 -7.044 8.042 -0.785 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.472 8.520 -2.109 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.048 7.738 -3.279 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.258 8.360 -3.811 1.00 0.00 N ATOM 1352 CZ ARG A 87 -9.482 8.070 -3.385 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -9.657 7.172 -2.425 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.533 8.679 -3.918 1.00 0.00 N ATOM 0 H ARG A 87 -6.846 10.385 -0.049 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.984 8.906 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.265 8.088 -0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.334 6.996 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.687 9.581 -2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.387 8.414 -2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.301 7.665 -4.069 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.274 6.721 -2.959 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.157 9.055 -4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.851 6.703 -2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.598 6.951 -2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.402 9.371 -4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.473 8.455 -3.590 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.547 7.033 0.634 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.211 6.279 1.692 1.00 0.00 C ATOM 1370 C TRP A 88 -9.759 4.823 1.688 1.00 0.00 C ATOM 1371 O TRP A 88 -9.897 4.123 0.685 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.729 6.355 1.525 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.291 7.715 1.809 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.182 8.827 1.024 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -13.046 8.107 2.961 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.825 9.887 1.617 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.363 9.471 2.806 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.486 7.439 4.106 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -14.099 10.176 3.755 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.216 8.140 5.047 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.518 9.496 4.867 1.00 0.00 C ATOM 0 H TRP A 88 -9.626 6.617 -0.294 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.935 6.723 2.649 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.990 6.067 0.507 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.197 5.630 2.191 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.666 8.868 0.076 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.891 10.830 1.234 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.260 6.393 4.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.331 11.222 3.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.560 7.634 5.937 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -15.092 10.015 5.620 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.219 4.372 2.816 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.747 2.998 2.941 1.00 0.00 C ATOM 1394 C PHE A 89 -9.414 2.299 4.122 1.00 0.00 C ATOM 1395 O PHE A 89 -9.593 2.889 5.187 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.226 2.973 3.112 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.476 3.019 1.812 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.732 4.016 0.884 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.515 2.065 1.517 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -6.043 4.059 -0.314 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.823 2.104 0.321 1.00 0.00 C ATOM 1402 CZ PHE A 89 -5.087 3.103 -0.595 1.00 0.00 C ATOM 0 H PHE A 89 -9.098 4.938 3.656 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.013 2.464 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.924 3.821 3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.944 2.070 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.478 4.767 1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.304 1.282 2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.252 4.840 -1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.077 1.354 0.103 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.547 3.137 -1.530 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.781 1.036 3.924 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.425 0.277 4.980 1.00 0.00 C ATOM 1414 C GLY A 90 -11.779 0.844 5.359 1.00 0.00 C ATOM 1415 O GLY A 90 -12.431 0.352 6.279 1.00 0.00 O ATOM 0 H GLY A 90 -9.644 0.526 3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.545 -0.758 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.781 0.265 5.859 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.202 1.886 4.650 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.484 2.505 4.933 1.00 0.00 C ATOM 1421 C GLY A 91 -13.340 3.906 5.493 1.00 0.00 C ATOM 1422 O GLY A 91 -14.315 4.653 5.573 1.00 0.00 O ATOM 0 H GLY A 91 -11.680 2.313 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.076 2.542 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.033 1.888 5.644 1.00 0.00 H new ATOM 1426 N ARG A 92 -12.120 4.263 5.883 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.853 5.583 6.441 1.00 0.00 C ATOM 1428 C ARG A 92 -10.956 6.395 5.511 1.00 0.00 C ATOM 1429 O ARG A 92 -10.314 5.845 4.617 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.196 5.455 7.817 1.00 0.00 C ATOM 1431 CG ARG A 92 -9.786 4.889 7.768 1.00 0.00 C ATOM 1432 CD ARG A 92 -9.451 4.120 9.036 1.00 0.00 C ATOM 1433 NE ARG A 92 -10.347 2.985 9.241 1.00 0.00 N ATOM 1434 CZ ARG A 92 -10.140 2.040 10.152 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -9.074 2.095 10.938 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -11.001 1.039 10.278 1.00 0.00 N ATOM 0 H ARG A 92 -11.302 3.657 5.823 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.804 6.104 6.547 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.168 6.437 8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.814 4.815 8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.687 4.231 6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.071 5.701 7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.422 3.764 8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.513 4.790 9.893 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.177 2.914 8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.410 2.864 10.844 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.917 1.368 11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.823 0.994 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.841 0.314 10.978 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.919 7.706 5.729 1.00 0.00 N ATOM 1451 CA GLN A 93 -10.102 8.593 4.909 1.00 0.00 C ATOM 1452 C GLN A 93 -8.642 8.549 5.348 1.00 0.00 C ATOM 1453 O GLN A 93 -8.335 8.170 6.479 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.629 10.027 4.992 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.411 10.829 3.719 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.451 12.325 3.958 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.572 12.781 5.096 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.348 13.100 2.884 1.00 0.00 N ATOM 0 H GLN A 93 -11.445 8.177 6.466 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.162 8.250 3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.695 10.001 5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.140 10.538 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.448 10.560 3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.175 10.561 2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.249 12.680 1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.368 14.115 2.984 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.747 8.939 4.447 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.319 8.944 4.742 1.00 0.00 C ATOM 1469 C ILE A 94 -5.667 10.242 4.278 1.00 0.00 C ATOM 1470 O ILE A 94 -6.200 10.946 3.420 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.602 7.756 4.076 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.646 7.894 2.552 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.235 6.443 4.512 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.755 6.908 1.830 1.00 0.00 C ATOM 0 H ILE A 94 -7.985 9.256 3.507 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.220 8.857 5.824 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.559 7.757 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.673 7.759 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.350 8.907 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.717 5.612 4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.157 6.343 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.286 6.431 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.837 7.064 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.721 7.057 2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.064 5.892 2.074 1.00 0.00 H new ATOM 1486 N THR A 95 -4.508 10.554 4.851 1.00 0.00 N ATOM 1487 CA THR A 95 -3.782 11.766 4.496 1.00 0.00 C ATOM 1488 C THR A 95 -2.454 11.435 3.824 1.00 0.00 C ATOM 1489 O THR A 95 -1.863 10.386 4.079 1.00 0.00 O ATOM 1490 CB THR A 95 -3.513 12.643 5.734 1.00 0.00 C ATOM 1491 OG1 THR A 95 -3.008 13.920 5.330 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.518 11.970 6.668 1.00 0.00 C ATOM 0 H THR A 95 -4.053 9.983 5.563 1.00 0.00 H new ATOM 0 HA THR A 95 -4.412 12.318 3.798 1.00 0.00 H new ATOM 0 HB THR A 95 -4.454 12.778 6.268 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.841 14.472 6.123 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.344 12.608 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.919 11.012 6.997 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.577 11.808 6.142 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.990 12.337 2.966 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.730 12.141 2.259 1.00 0.00 C ATOM 1502 C ALA A 96 0.199 13.335 2.452 1.00 0.00 C ATOM 1503 O ALA A 96 -0.256 14.454 2.691 1.00 0.00 O ATOM 1504 CB ALA A 96 -0.987 11.904 0.778 1.00 0.00 C ATOM 0 H ALA A 96 -2.467 13.211 2.743 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.240 11.261 2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.038 11.759 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.606 11.016 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.501 12.767 0.355 1.00 0.00 H new ATOM 1510 N GLN A 97 1.501 13.089 2.348 1.00 0.00 N ATOM 1511 CA GLN A 97 2.493 14.144 2.514 1.00 0.00 C ATOM 1512 C GLN A 97 3.859 13.690 2.012 1.00 0.00 C ATOM 1513 O GLN A 97 4.117 12.494 1.880 1.00 0.00 O ATOM 1514 CB GLN A 97 2.588 14.559 3.983 1.00 0.00 C ATOM 1515 CG GLN A 97 2.713 13.384 4.940 1.00 0.00 C ATOM 1516 CD GLN A 97 1.368 12.892 5.438 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.911 13.282 6.513 1.00 0.00 O ATOM 1518 NE2 GLN A 97 0.726 12.031 4.658 1.00 0.00 N ATOM 0 H GLN A 97 1.893 12.169 2.150 1.00 0.00 H new ATOM 0 HA GLN A 97 2.175 15.002 1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.449 15.215 4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.703 15.139 4.246 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.232 12.567 4.440 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.326 13.678 5.792 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.142 11.735 3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.183 11.666 4.942 1.00 0.00 H new ATOM 1527 N ALA A 98 4.732 14.653 1.733 1.00 0.00 N ATOM 1528 CA ALA A 98 6.073 14.352 1.247 1.00 0.00 C ATOM 1529 C ALA A 98 7.025 14.071 2.404 1.00 0.00 C ATOM 1530 O ALA A 98 7.028 14.786 3.406 1.00 0.00 O ATOM 1531 CB ALA A 98 6.596 15.500 0.396 1.00 0.00 C ATOM 0 H ALA A 98 4.534 15.648 1.835 1.00 0.00 H new ATOM 0 HA ALA A 98 6.017 13.455 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.598 15.262 0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.934 15.652 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.631 16.410 0.995 1.00 0.00 H new ATOM 1537 N TRP A 99 7.832 13.026 2.258 1.00 0.00 N ATOM 1538 CA TRP A 99 8.789 12.650 3.293 1.00 0.00 C ATOM 1539 C TRP A 99 10.168 13.227 2.994 1.00 0.00 C ATOM 1540 O TRP A 99 10.467 13.587 1.855 1.00 0.00 O ATOM 1541 CB TRP A 99 8.874 11.127 3.409 1.00 0.00 C ATOM 1542 CG TRP A 99 9.748 10.665 4.535 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.660 11.038 5.846 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.842 9.746 4.450 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.634 10.406 6.581 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.372 9.607 5.748 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.425 9.025 3.404 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.456 8.778 6.025 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.501 8.203 3.680 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.007 8.084 4.982 1.00 0.00 C ATOM 0 H TRP A 99 7.843 12.425 1.434 1.00 0.00 H new ATOM 0 HA TRP A 99 8.441 13.061 4.241 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.871 10.724 3.548 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.254 10.719 2.472 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.932 11.728 6.246 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.783 10.514 7.584 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.041 9.109 2.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.848 8.686 7.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 12.960 7.643 2.879 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.848 7.432 5.166 1.00 0.00 H new ATOM 1561 N ASP A 100 11.005 13.313 4.022 1.00 0.00 N ATOM 1562 CA ASP A 100 12.354 13.846 3.868 1.00 0.00 C ATOM 1563 C ASP A 100 13.398 12.786 4.205 1.00 0.00 C ATOM 1564 O ASP A 100 14.086 12.276 3.323 1.00 0.00 O ATOM 1565 CB ASP A 100 12.546 15.072 4.762 1.00 0.00 C ATOM 1566 CG ASP A 100 13.748 15.902 4.356 1.00 0.00 C ATOM 1567 OD1 ASP A 100 14.708 15.324 3.806 1.00 0.00 O ATOM 1568 OD2 ASP A 100 13.728 17.129 4.590 1.00 0.00 O ATOM 0 H ASP A 100 10.773 13.020 4.971 1.00 0.00 H new ATOM 0 HA ASP A 100 12.485 14.142 2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.650 15.691 4.722 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.664 14.749 5.796 1.00 0.00 H new ATOM 1573 N GLY A 101 13.511 12.461 5.490 1.00 0.00 N ATOM 1574 CA GLY A 101 14.475 11.465 5.921 1.00 0.00 C ATOM 1575 C GLY A 101 14.825 11.595 7.390 1.00 0.00 C ATOM 1576 O GLY A 101 15.993 11.751 7.747 1.00 0.00 O ATOM 0 H GLY A 101 12.953 12.869 6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.073 10.469 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.382 11.560 5.325 1.00 0.00 H new ATOM 1580 N THR A 102 13.810 11.533 8.247 1.00 0.00 N ATOM 1581 CA THR A 102 14.016 11.647 9.685 1.00 0.00 C ATOM 1582 C THR A 102 13.260 10.558 10.437 1.00 0.00 C ATOM 1583 O THR A 102 13.745 10.028 11.437 1.00 0.00 O ATOM 1584 CB THR A 102 13.565 13.024 10.209 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.576 13.031 11.641 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.170 13.365 9.705 1.00 0.00 C ATOM 0 H THR A 102 12.837 11.404 7.969 1.00 0.00 H new ATOM 0 HA THR A 102 15.085 11.531 9.861 1.00 0.00 H new ATOM 0 HB THR A 102 14.262 13.775 9.837 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.290 13.910 11.966 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.873 14.341 10.088 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.172 13.388 8.615 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.464 12.610 10.050 1.00 0.00 H new ATOM 1594 N THR A 103 12.068 10.226 9.949 1.00 0.00 N ATOM 1595 CA THR A 103 11.245 9.200 10.576 1.00 0.00 C ATOM 1596 C THR A 103 11.995 7.876 10.672 1.00 0.00 C ATOM 1597 O THR A 103 12.859 7.580 9.847 1.00 0.00 O ATOM 1598 CB THR A 103 9.934 8.979 9.797 1.00 0.00 C ATOM 1599 OG1 THR A 103 8.997 8.262 10.609 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.192 8.208 8.511 1.00 0.00 C ATOM 0 H THR A 103 11.652 10.653 9.122 1.00 0.00 H new ATOM 0 HA THR A 103 11.008 9.554 11.579 1.00 0.00 H new ATOM 0 HB THR A 103 9.521 9.954 9.540 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.255 7.947 10.052 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.252 8.064 7.978 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.883 8.770 7.882 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.626 7.237 8.750 1.00 0.00 H new ATOM 1608 N ASP A 104 11.659 7.083 11.683 1.00 0.00 N ATOM 1609 CA ASP A 104 12.300 5.789 11.886 1.00 0.00 C ATOM 1610 C ASP A 104 11.324 4.650 11.609 1.00 0.00 C ATOM 1611 O ASP A 104 11.367 3.609 12.265 1.00 0.00 O ATOM 1612 CB ASP A 104 12.837 5.681 13.314 1.00 0.00 C ATOM 1613 CG ASP A 104 11.769 5.943 14.357 1.00 0.00 C ATOM 1614 OD1 ASP A 104 11.071 6.972 14.245 1.00 0.00 O ATOM 1615 OD2 ASP A 104 11.630 5.118 15.285 1.00 0.00 O ATOM 0 H ASP A 104 10.946 7.313 12.375 1.00 0.00 H new ATOM 0 HA ASP A 104 13.132 5.709 11.186 1.00 0.00 H new ATOM 0 HB2 ASP A 104 13.254 4.686 13.468 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.652 6.392 13.447 1.00 0.00 H new ATOM 1620 N TYR A 105 10.444 4.855 10.635 1.00 0.00 N ATOM 1621 CA TYR A 105 9.455 3.847 10.274 1.00 0.00 C ATOM 1622 C TYR A 105 10.132 2.575 9.771 1.00 0.00 C ATOM 1623 O TYR A 105 9.936 1.495 10.326 1.00 0.00 O ATOM 1624 CB TYR A 105 8.508 4.392 9.203 1.00 0.00 C ATOM 1625 CG TYR A 105 7.649 5.540 9.682 1.00 0.00 C ATOM 1626 CD1 TYR A 105 6.966 5.465 10.890 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.519 6.699 8.926 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.179 6.511 11.331 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.735 7.750 9.361 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.067 7.651 10.563 1.00 0.00 C ATOM 1631 OH TYR A 105 5.284 8.696 10.999 1.00 0.00 O ATOM 0 H TYR A 105 10.396 5.710 10.081 1.00 0.00 H new ATOM 0 HA TYR A 105 8.880 3.602 11.167 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.094 4.721 8.345 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.862 3.585 8.857 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.052 4.574 11.494 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.039 6.779 7.983 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.654 6.437 12.272 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.646 8.645 8.763 1.00 0.00 H new ATOM 0 HH TYR A 105 5.313 9.423 10.342 1.00 0.00 H new ATOM 1641 N GLN A 106 10.929 2.715 8.717 1.00 0.00 N ATOM 1642 CA GLN A 106 11.636 1.578 8.138 1.00 0.00 C ATOM 1643 C GLN A 106 13.108 1.592 8.536 1.00 0.00 C ATOM 1644 O GLN A 106 13.729 0.540 8.693 1.00 0.00 O ATOM 1645 CB GLN A 106 11.507 1.592 6.614 1.00 0.00 C ATOM 1646 CG GLN A 106 12.168 2.794 5.959 1.00 0.00 C ATOM 1647 CD GLN A 106 12.770 2.464 4.607 1.00 0.00 C ATOM 1648 OE1 GLN A 106 12.559 3.181 3.629 1.00 0.00 O ATOM 1649 NE2 GLN A 106 13.525 1.373 4.545 1.00 0.00 N ATOM 0 H GLN A 106 11.102 3.603 8.247 1.00 0.00 H new ATOM 0 HA GLN A 106 11.183 0.665 8.525 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.949 0.681 6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.450 1.578 6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.432 3.589 5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.948 3.178 6.616 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.673 0.807 5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 106 13.956 1.101 3.662 1.00 0.00 H new ATOM 1658 N SER A 107 13.661 2.790 8.697 1.00 0.00 N ATOM 1659 CA SER A 107 15.062 2.941 9.073 1.00 0.00 C ATOM 1660 C SER A 107 15.437 1.959 10.178 1.00 0.00 C ATOM 1661 O SER A 107 14.625 1.647 11.049 1.00 0.00 O ATOM 1662 CB SER A 107 15.337 4.374 9.533 1.00 0.00 C ATOM 1663 OG SER A 107 15.135 4.508 10.929 1.00 0.00 O ATOM 0 H SER A 107 13.160 3.670 8.573 1.00 0.00 H new ATOM 0 HA SER A 107 15.673 2.725 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 107 16.361 4.650 9.282 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.682 5.063 9.000 1.00 0.00 H new ATOM 0 HG SER A 107 15.256 5.445 11.189 1.00 0.00 H new ATOM 1669 N GLY A 108 16.674 1.474 10.136 1.00 0.00 N ATOM 1670 CA GLY A 108 17.136 0.532 11.139 1.00 0.00 C ATOM 1671 C GLY A 108 16.237 -0.683 11.252 1.00 0.00 C ATOM 1672 O GLY A 108 15.293 -0.711 12.042 1.00 0.00 O ATOM 0 H GLY A 108 17.364 1.716 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 108 18.147 0.210 10.892 1.00 0.00 H new ATOM 0 HA3 GLY A 108 17.188 1.032 12.106 1.00 0.00 H new ATOM 1676 N PRO A 109 16.526 -1.715 10.446 1.00 0.00 N ATOM 1677 CA PRO A 109 15.746 -2.957 10.440 1.00 0.00 C ATOM 1678 C PRO A 109 15.942 -3.770 11.714 1.00 0.00 C ATOM 1679 O PRO A 109 16.942 -4.471 11.868 1.00 0.00 O ATOM 1680 CB PRO A 109 16.299 -3.716 9.231 1.00 0.00 C ATOM 1681 CG PRO A 109 17.682 -3.192 9.054 1.00 0.00 C ATOM 1682 CD PRO A 109 17.636 -1.750 9.479 1.00 0.00 C ATOM 0 HA PRO A 109 14.674 -2.766 10.387 1.00 0.00 H new ATOM 0 HB2 PRO A 109 16.303 -4.792 9.407 1.00 0.00 H new ATOM 0 HB3 PRO A 109 15.693 -3.541 8.342 1.00 0.00 H new ATOM 0 HG2 PRO A 109 18.393 -3.755 9.659 1.00 0.00 H new ATOM 0 HG3 PRO A 109 18.004 -3.283 8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 109 18.575 -1.435 9.934 1.00 0.00 H new ATOM 0 HD3 PRO A 109 17.453 -1.087 8.633 1.00 0.00 H new ATOM 1690 N SER A 110 14.979 -3.673 12.626 1.00 0.00 N ATOM 1691 CA SER A 110 15.047 -4.398 13.889 1.00 0.00 C ATOM 1692 C SER A 110 15.663 -5.780 13.690 1.00 0.00 C ATOM 1693 O SER A 110 15.007 -6.699 13.199 1.00 0.00 O ATOM 1694 CB SER A 110 13.652 -4.532 14.501 1.00 0.00 C ATOM 1695 OG SER A 110 13.663 -5.414 15.610 1.00 0.00 O ATOM 0 H SER A 110 14.143 -3.100 12.513 1.00 0.00 H new ATOM 0 HA SER A 110 15.681 -3.831 14.571 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.294 -3.552 14.816 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.955 -4.899 13.748 1.00 0.00 H new ATOM 0 HG SER A 110 12.760 -5.481 15.984 1.00 0.00 H new ATOM 1701 N SER A 111 16.927 -5.920 14.076 1.00 0.00 N ATOM 1702 CA SER A 111 17.633 -7.188 13.937 1.00 0.00 C ATOM 1703 C SER A 111 17.355 -8.098 15.129 1.00 0.00 C ATOM 1704 O SER A 111 17.138 -9.299 14.971 1.00 0.00 O ATOM 1705 CB SER A 111 19.138 -6.946 13.806 1.00 0.00 C ATOM 1706 OG SER A 111 19.687 -6.473 15.025 1.00 0.00 O ATOM 0 H SER A 111 17.483 -5.171 14.488 1.00 0.00 H new ATOM 0 HA SER A 111 17.271 -7.680 13.034 1.00 0.00 H new ATOM 0 HB2 SER A 111 19.634 -7.872 13.515 1.00 0.00 H new ATOM 0 HB3 SER A 111 19.325 -6.221 13.014 1.00 0.00 H new ATOM 0 HG SER A 111 20.650 -6.328 14.916 1.00 0.00 H new ATOM 1712 N GLY A 112 17.363 -7.516 16.325 1.00 0.00 N ATOM 1713 CA GLY A 112 17.111 -8.289 17.527 1.00 0.00 C ATOM 1714 C GLY A 112 16.093 -7.630 18.437 1.00 0.00 C ATOM 1715 O GLY A 112 15.195 -6.929 17.969 1.00 0.00 O ATOM 0 H GLY A 112 17.539 -6.524 16.482 1.00 0.00 H new ATOM 0 HA2 GLY A 112 16.757 -9.282 17.249 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.046 -8.425 18.071 1.00 0.00 H new TER 1719 GLY A 112