USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 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 2 HIS : no HD1:sc=-0.00499 X(o=-0.11,f=-0.1) USER MOD Set 1.2: A 3 MET CE :methyl 148:sc= -0.109 (180deg=-0.35) USER MOD Single : A 1 SER N :NH3+ 145:sc= 0.0172 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00644 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.14) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -141:sc= 0.309 USER MOD Single : A 20 GLN : amide:sc= -0.0245 K(o=-0.025,f=-3.9!) USER MOD Single : A 26 LYS NZ :NH3+ 145:sc= -0.119 (180deg=-0.454) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.151 F(o=-1.9,f=-0.15) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -130:sc= 0.0213 USER MOD Single : A 32 HIS : no HD1:sc= -0.077 X(o=-0.077,f=0.0062) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00522 X(o=-0.0052,f=-0.0052) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -60:sc= 1.14 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 59 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= -0.0207 (180deg=-0.139) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 167:sc= -0.0265 (180deg=-0.246) USER MOD Single : A 74 GLN : amide:sc= -0.0557 X(o=-0.056,f=-0.056) USER MOD Single : A 75 GLN : amide:sc= -0.93 X(o=-0.93,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.218 6.588 -18.704 1.00 61.43 N ATOM 2 CA SER A 1 6.605 7.151 -19.940 1.00 10.21 C ATOM 3 C SER A 1 5.385 6.303 -20.367 1.00 51.32 C ATOM 4 O SER A 1 5.426 5.075 -20.270 1.00 61.20 O ATOM 5 CB SER A 1 7.657 7.210 -21.072 1.00 3.44 C ATOM 6 OG SER A 1 8.806 7.946 -20.667 1.00 62.22 O ATOM 0 H1 SER A 1 8.250 6.714 -18.740 1.00 61.43 H new ATOM 0 H2 SER A 1 6.837 7.082 -17.872 1.00 61.43 H new ATOM 0 H3 SER A 1 6.995 5.574 -18.637 1.00 61.43 H new ATOM 0 HA SER A 1 6.260 8.165 -19.736 1.00 10.21 H new ATOM 0 HB2 SER A 1 7.950 6.198 -21.353 1.00 3.44 H new ATOM 0 HB3 SER A 1 7.218 7.672 -21.956 1.00 3.44 H new ATOM 0 HG SER A 1 9.456 7.967 -21.400 1.00 62.22 H new ATOM 14 N HIS A 2 4.304 6.961 -20.842 1.00 3.12 N ATOM 15 CA HIS A 2 3.024 6.281 -21.188 1.00 53.23 C ATOM 16 C HIS A 2 2.727 6.345 -22.713 1.00 33.12 C ATOM 17 O HIS A 2 2.300 5.351 -23.308 1.00 52.51 O ATOM 18 CB HIS A 2 1.868 6.928 -20.373 1.00 11.15 C ATOM 19 CG HIS A 2 0.534 6.230 -20.511 1.00 62.04 C ATOM 20 ND1 HIS A 2 0.247 5.041 -19.881 1.00 72.14 N ATOM 21 CD2 HIS A 2 -0.586 6.551 -21.211 1.00 10.35 C ATOM 22 CE1 HIS A 2 -0.976 4.659 -20.182 1.00 24.42 C ATOM 23 NE2 HIS A 2 -1.503 5.555 -20.988 1.00 64.14 N ATOM 0 H HIS A 2 4.288 7.969 -20.997 1.00 3.12 H new ATOM 0 HA HIS A 2 3.111 5.226 -20.929 1.00 53.23 H new ATOM 0 HB2 HIS A 2 2.148 6.944 -19.320 1.00 11.15 H new ATOM 0 HB3 HIS A 2 1.755 7.965 -20.688 1.00 11.15 H new ATOM 0 HD2 HIS A 2 -0.728 7.426 -21.827 1.00 10.35 H new ATOM 0 HE1 HIS A 2 -1.464 3.763 -19.828 1.00 24.42 H new ATOM 0 HE2 HIS A 2 -2.442 5.516 -21.384 1.00 64.14 H new ATOM 32 N MET A 3 2.938 7.536 -23.323 1.00 54.32 N ATOM 33 CA MET A 3 2.682 7.785 -24.773 1.00 60.43 C ATOM 34 C MET A 3 3.471 9.014 -25.320 1.00 20.03 C ATOM 35 O MET A 3 3.036 9.663 -26.280 1.00 61.34 O ATOM 36 CB MET A 3 1.148 7.947 -25.023 1.00 31.23 C ATOM 37 CG MET A 3 0.451 9.002 -24.142 1.00 31.43 C ATOM 38 SD MET A 3 -1.274 9.297 -24.612 1.00 4.43 S ATOM 39 CE MET A 3 -1.978 7.644 -24.600 1.00 34.15 C ATOM 0 H MET A 3 3.291 8.355 -22.828 1.00 54.32 H new ATOM 0 HA MET A 3 3.046 6.918 -25.324 1.00 60.43 H new ATOM 0 HB2 MET A 3 0.992 8.209 -26.069 1.00 31.23 H new ATOM 0 HB3 MET A 3 0.665 6.983 -24.860 1.00 31.23 H new ATOM 0 HG2 MET A 3 0.487 8.679 -23.102 1.00 31.43 H new ATOM 0 HG3 MET A 3 1.003 9.940 -24.204 1.00 31.43 H new ATOM 0 HE1 MET A 3 -3.026 7.697 -24.306 1.00 34.15 H new ATOM 0 HE2 MET A 3 -1.902 7.209 -25.597 1.00 34.15 H new ATOM 0 HE3 MET A 3 -1.433 7.022 -23.890 1.00 34.15 H new ATOM 49 N SER A 4 4.651 9.300 -24.735 1.00 61.32 N ATOM 50 CA SER A 4 5.559 10.370 -25.237 1.00 45.14 C ATOM 51 C SER A 4 6.328 9.879 -26.487 1.00 21.32 C ATOM 52 O SER A 4 7.478 9.438 -26.400 1.00 41.51 O ATOM 53 CB SER A 4 6.539 10.825 -24.130 1.00 12.22 C ATOM 54 OG SER A 4 5.854 11.478 -23.068 1.00 21.43 O ATOM 0 H SER A 4 5.005 8.809 -23.914 1.00 61.32 H new ATOM 0 HA SER A 4 4.954 11.231 -25.521 1.00 45.14 H new ATOM 0 HB2 SER A 4 7.078 9.961 -23.741 1.00 12.22 H new ATOM 0 HB3 SER A 4 7.283 11.499 -24.555 1.00 12.22 H new ATOM 0 HG SER A 4 6.499 11.753 -22.383 1.00 21.43 H new ATOM 60 N ASN A 5 5.652 9.951 -27.648 1.00 2.04 N ATOM 61 CA ASN A 5 6.131 9.369 -28.922 1.00 31.34 C ATOM 62 C ASN A 5 7.271 10.199 -29.566 1.00 12.40 C ATOM 63 O ASN A 5 8.123 9.647 -30.268 1.00 13.51 O ATOM 64 CB ASN A 5 4.939 9.229 -29.909 1.00 11.45 C ATOM 65 CG ASN A 5 3.795 8.364 -29.361 1.00 73.02 C ATOM 66 OD1 ASN A 5 4.003 7.451 -28.571 1.00 72.30 O ATOM 67 ND2 ASN A 5 2.573 8.642 -29.774 1.00 61.35 N ATOM 0 H ASN A 5 4.749 10.418 -27.732 1.00 2.04 H new ATOM 0 HA ASN A 5 6.547 8.387 -28.699 1.00 31.34 H new ATOM 0 HB2 ASN A 5 4.554 10.221 -30.146 1.00 11.45 H new ATOM 0 HB3 ASN A 5 5.298 8.795 -30.842 1.00 11.45 H new ATOM 0 HD21 ASN A 5 1.783 8.093 -29.435 1.00 61.35 H new ATOM 0 HD22 ASN A 5 2.418 9.406 -30.432 1.00 61.35 H new ATOM 74 N LYS A 6 7.272 11.524 -29.330 1.00 13.21 N ATOM 75 CA LYS A 6 8.317 12.444 -29.857 1.00 40.21 C ATOM 76 C LYS A 6 9.602 12.451 -28.979 1.00 14.43 C ATOM 77 O LYS A 6 10.571 13.157 -29.295 1.00 10.41 O ATOM 78 CB LYS A 6 7.729 13.873 -30.009 1.00 14.25 C ATOM 79 CG LYS A 6 6.635 14.002 -31.098 1.00 13.02 C ATOM 80 CD LYS A 6 6.056 15.433 -31.196 1.00 12.00 C ATOM 81 CE LYS A 6 5.153 15.635 -32.429 1.00 0.31 C ATOM 82 NZ LYS A 6 3.989 14.712 -32.442 1.00 11.01 N ATOM 0 H LYS A 6 6.557 11.992 -28.773 1.00 13.21 H new ATOM 0 HA LYS A 6 8.622 12.077 -30.837 1.00 40.21 H new ATOM 0 HB2 LYS A 6 7.310 14.184 -29.052 1.00 14.25 H new ATOM 0 HB3 LYS A 6 8.540 14.563 -30.242 1.00 14.25 H new ATOM 0 HG2 LYS A 6 7.054 13.717 -32.063 1.00 13.02 H new ATOM 0 HG3 LYS A 6 5.828 13.302 -30.881 1.00 13.02 H new ATOM 0 HD2 LYS A 6 5.484 15.650 -30.294 1.00 12.00 H new ATOM 0 HD3 LYS A 6 6.877 16.149 -31.233 1.00 12.00 H new ATOM 0 HE2 LYS A 6 4.796 16.665 -32.448 1.00 0.31 H new ATOM 0 HE3 LYS A 6 5.741 15.485 -33.334 1.00 0.31 H new ATOM 0 HZ1 LYS A 6 3.415 14.889 -33.291 1.00 11.01 H new ATOM 0 HZ2 LYS A 6 4.326 13.728 -32.451 1.00 11.01 H new ATOM 0 HZ3 LYS A 6 3.410 14.872 -31.593 1.00 11.01 H new ATOM 96 N GLY A 7 9.605 11.652 -27.888 1.00 40.31 N ATOM 97 CA GLY A 7 10.812 11.440 -27.067 1.00 61.32 C ATOM 98 C GLY A 7 11.205 12.630 -26.187 1.00 24.42 C ATOM 99 O GLY A 7 12.383 13.004 -26.127 1.00 22.34 O ATOM 0 H GLY A 7 8.784 11.145 -27.558 1.00 40.31 H new ATOM 0 HA2 GLY A 7 10.653 10.571 -26.429 1.00 61.32 H new ATOM 0 HA3 GLY A 7 11.646 11.202 -27.727 1.00 61.32 H new ATOM 103 N LYS A 8 10.216 13.249 -25.522 1.00 34.02 N ATOM 104 CA LYS A 8 10.464 14.259 -24.465 1.00 21.03 C ATOM 105 C LYS A 8 10.156 13.667 -23.071 1.00 13.22 C ATOM 106 O LYS A 8 9.031 13.219 -22.806 1.00 3.54 O ATOM 107 CB LYS A 8 9.646 15.560 -24.705 1.00 61.03 C ATOM 108 CG LYS A 8 10.232 16.492 -25.795 1.00 71.21 C ATOM 109 CD LYS A 8 9.498 17.853 -25.869 1.00 41.11 C ATOM 110 CE LYS A 8 10.212 18.881 -26.763 1.00 54.02 C ATOM 111 NZ LYS A 8 10.307 18.449 -28.181 1.00 52.44 N ATOM 0 H LYS A 8 9.227 13.070 -25.696 1.00 34.02 H new ATOM 0 HA LYS A 8 11.519 14.528 -24.506 1.00 21.03 H new ATOM 0 HB2 LYS A 8 8.628 15.288 -24.985 1.00 61.03 H new ATOM 0 HB3 LYS A 8 9.582 16.113 -23.768 1.00 61.03 H new ATOM 0 HG2 LYS A 8 11.289 16.664 -25.592 1.00 71.21 H new ATOM 0 HG3 LYS A 8 10.170 15.996 -26.764 1.00 71.21 H new ATOM 0 HD2 LYS A 8 8.488 17.693 -26.246 1.00 41.11 H new ATOM 0 HD3 LYS A 8 9.402 18.261 -24.863 1.00 41.11 H new ATOM 0 HE2 LYS A 8 9.679 19.830 -26.713 1.00 54.02 H new ATOM 0 HE3 LYS A 8 11.215 19.058 -26.375 1.00 54.02 H new ATOM 0 HZ1 LYS A 8 10.797 19.180 -28.735 1.00 52.44 H new ATOM 0 HZ2 LYS A 8 10.839 17.557 -28.237 1.00 52.44 H new ATOM 0 HZ3 LYS A 8 9.351 18.306 -28.565 1.00 52.44 H new ATOM 125 N LYS A 9 11.179 13.687 -22.194 1.00 53.40 N ATOM 126 CA LYS A 9 11.123 13.121 -20.827 1.00 12.11 C ATOM 127 C LYS A 9 10.071 13.834 -19.940 1.00 1.33 C ATOM 128 O LYS A 9 9.363 13.175 -19.168 1.00 51.13 O ATOM 129 CB LYS A 9 12.537 13.194 -20.174 1.00 72.54 C ATOM 130 CG LYS A 9 13.099 14.634 -19.994 1.00 45.21 C ATOM 131 CD LYS A 9 14.607 14.679 -19.648 1.00 13.14 C ATOM 132 CE LYS A 9 15.494 14.174 -20.806 1.00 63.22 C ATOM 133 NZ LYS A 9 16.938 14.298 -20.505 1.00 14.55 N ATOM 0 H LYS A 9 12.083 14.103 -22.417 1.00 53.40 H new ATOM 0 HA LYS A 9 10.812 12.079 -20.906 1.00 12.11 H new ATOM 0 HB2 LYS A 9 12.496 12.710 -19.198 1.00 72.54 H new ATOM 0 HB3 LYS A 9 13.234 12.621 -20.785 1.00 72.54 H new ATOM 0 HG2 LYS A 9 12.930 15.197 -20.912 1.00 45.21 H new ATOM 0 HG3 LYS A 9 12.540 15.136 -19.204 1.00 45.21 H new ATOM 0 HD2 LYS A 9 14.889 15.702 -19.398 1.00 13.14 H new ATOM 0 HD3 LYS A 9 14.792 14.072 -18.762 1.00 13.14 H new ATOM 0 HE2 LYS A 9 15.257 13.130 -21.013 1.00 63.22 H new ATOM 0 HE3 LYS A 9 15.264 14.739 -21.709 1.00 63.22 H new ATOM 0 HZ1 LYS A 9 17.492 13.946 -21.312 1.00 14.55 H new ATOM 0 HZ2 LYS A 9 17.172 15.297 -20.333 1.00 14.55 H new ATOM 0 HZ3 LYS A 9 17.165 13.738 -19.659 1.00 14.55 H new ATOM 147 N ARG A 10 9.978 15.184 -20.086 1.00 23.21 N ATOM 148 CA ARG A 10 9.109 16.075 -19.269 1.00 15.10 C ATOM 149 C ARG A 10 9.460 16.045 -17.754 1.00 21.33 C ATOM 150 O ARG A 10 10.335 15.296 -17.308 1.00 75.22 O ATOM 151 CB ARG A 10 7.599 15.754 -19.494 1.00 50.21 C ATOM 152 CG ARG A 10 7.106 15.978 -20.945 1.00 12.20 C ATOM 153 CD ARG A 10 5.609 15.671 -21.112 1.00 72.33 C ATOM 154 NE ARG A 10 5.122 15.982 -22.467 1.00 72.02 N ATOM 155 CZ ARG A 10 3.896 15.787 -22.905 1.00 54.03 C ATOM 156 NH1 ARG A 10 2.973 15.265 -22.152 1.00 15.02 N ATOM 157 NH2 ARG A 10 3.605 16.106 -24.119 1.00 55.14 N ATOM 0 H ARG A 10 10.515 15.692 -20.788 1.00 23.21 H new ATOM 0 HA ARG A 10 9.304 17.090 -19.615 1.00 15.10 H new ATOM 0 HB2 ARG A 10 7.416 14.716 -19.217 1.00 50.21 H new ATOM 0 HB3 ARG A 10 7.005 16.373 -18.822 1.00 50.21 H new ATOM 0 HG2 ARG A 10 7.296 17.012 -21.234 1.00 12.20 H new ATOM 0 HG3 ARG A 10 7.681 15.346 -21.622 1.00 12.20 H new ATOM 0 HD2 ARG A 10 5.430 14.617 -20.897 1.00 72.33 H new ATOM 0 HD3 ARG A 10 5.039 16.246 -20.383 1.00 72.33 H new ATOM 0 HE ARG A 10 5.793 16.383 -23.123 1.00 72.02 H new ATOM 0 HH11 ARG A 10 3.190 14.994 -21.193 1.00 15.02 H new ATOM 0 HH12 ARG A 10 2.032 15.127 -22.521 1.00 15.02 H new ATOM 0 HH21 ARG A 10 4.321 16.504 -24.727 1.00 55.14 H new ATOM 0 HH22 ARG A 10 2.659 15.960 -24.472 1.00 55.14 H new ATOM 171 N ARG A 11 8.780 16.903 -16.975 1.00 72.54 N ATOM 172 CA ARG A 11 8.876 16.906 -15.501 1.00 62.42 C ATOM 173 C ARG A 11 8.060 15.720 -14.931 1.00 25.13 C ATOM 174 O ARG A 11 6.906 15.519 -15.325 1.00 41.43 O ATOM 175 CB ARG A 11 8.346 18.258 -14.957 1.00 43.44 C ATOM 176 CG ARG A 11 8.435 18.436 -13.426 1.00 4.34 C ATOM 177 CD ARG A 11 7.912 19.813 -12.964 1.00 50.50 C ATOM 178 NE ARG A 11 8.668 20.931 -13.574 1.00 45.41 N ATOM 179 CZ ARG A 11 8.200 21.808 -14.444 1.00 62.04 C ATOM 180 NH1 ARG A 11 6.978 21.756 -14.872 1.00 12.44 N ATOM 181 NH2 ARG A 11 8.975 22.726 -14.892 1.00 13.12 N ATOM 0 H ARG A 11 8.149 17.613 -17.346 1.00 72.54 H new ATOM 0 HA ARG A 11 9.915 16.791 -15.191 1.00 62.42 H new ATOM 0 HB2 ARG A 11 8.903 19.065 -15.433 1.00 43.44 H new ATOM 0 HB3 ARG A 11 7.304 18.369 -15.259 1.00 43.44 H new ATOM 0 HG2 ARG A 11 7.861 17.649 -12.937 1.00 4.34 H new ATOM 0 HG3 ARG A 11 9.471 18.318 -13.109 1.00 4.34 H new ATOM 0 HD2 ARG A 11 6.857 19.905 -13.224 1.00 50.50 H new ATOM 0 HD3 ARG A 11 7.980 19.880 -11.878 1.00 50.50 H new ATOM 0 HE ARG A 11 9.644 21.034 -13.296 1.00 45.41 H new ATOM 0 HH11 ARG A 11 6.351 21.025 -14.537 1.00 12.44 H new ATOM 0 HH12 ARG A 11 6.643 22.446 -15.544 1.00 12.44 H new ATOM 0 HH21 ARG A 11 9.944 22.775 -14.576 1.00 13.12 H new ATOM 0 HH22 ARG A 11 8.623 23.408 -15.564 1.00 13.12 H new ATOM 195 N ASN A 12 8.673 14.924 -14.035 1.00 74.34 N ATOM 196 CA ASN A 12 8.002 13.750 -13.417 1.00 31.23 C ATOM 197 C ASN A 12 6.844 14.187 -12.474 1.00 33.31 C ATOM 198 O ASN A 12 6.948 15.192 -11.763 1.00 11.42 O ATOM 199 CB ASN A 12 9.030 12.837 -12.689 1.00 41.53 C ATOM 200 CG ASN A 12 9.954 13.595 -11.740 1.00 52.41 C ATOM 201 OD1 ASN A 12 9.631 13.824 -10.578 1.00 30.01 O ATOM 202 ND2 ASN A 12 11.115 13.992 -12.225 1.00 54.33 N ATOM 0 H ASN A 12 9.632 15.067 -13.719 1.00 74.34 H new ATOM 0 HA ASN A 12 7.554 13.162 -14.218 1.00 31.23 H new ATOM 0 HB2 ASN A 12 8.492 12.074 -12.127 1.00 41.53 H new ATOM 0 HB3 ASN A 12 9.634 12.318 -13.433 1.00 41.53 H new ATOM 0 HD21 ASN A 12 11.768 14.502 -11.631 1.00 54.33 H new ATOM 0 HD22 ASN A 12 11.359 13.789 -13.194 1.00 54.33 H new ATOM 209 N ARG A 13 5.748 13.409 -12.493 1.00 54.35 N ATOM 210 CA ARG A 13 4.467 13.768 -11.833 1.00 33.21 C ATOM 211 C ARG A 13 4.457 13.262 -10.363 1.00 44.11 C ATOM 212 O ARG A 13 4.791 12.100 -10.103 1.00 11.31 O ATOM 213 CB ARG A 13 3.281 13.153 -12.666 1.00 12.11 C ATOM 214 CG ARG A 13 1.965 13.974 -12.702 1.00 11.23 C ATOM 215 CD ARG A 13 1.232 14.070 -11.352 1.00 73.30 C ATOM 216 NE ARG A 13 0.032 14.912 -11.454 1.00 13.21 N ATOM 217 CZ ARG A 13 -0.546 15.551 -10.464 1.00 72.52 C ATOM 218 NH1 ARG A 13 -0.082 15.494 -9.251 1.00 23.11 N ATOM 219 NH2 ARG A 13 -1.594 16.257 -10.709 1.00 71.21 N ATOM 0 H ARG A 13 5.719 12.507 -12.968 1.00 54.35 H new ATOM 0 HA ARG A 13 4.351 14.851 -11.801 1.00 33.21 H new ATOM 0 HB2 ARG A 13 3.622 13.009 -13.691 1.00 12.11 H new ATOM 0 HB3 ARG A 13 3.057 12.165 -12.263 1.00 12.11 H new ATOM 0 HG2 ARG A 13 2.191 14.982 -13.050 1.00 11.23 H new ATOM 0 HG3 ARG A 13 1.293 13.526 -13.434 1.00 11.23 H new ATOM 0 HD2 ARG A 13 0.951 13.072 -11.017 1.00 73.30 H new ATOM 0 HD3 ARG A 13 1.904 14.481 -10.599 1.00 73.30 H new ATOM 0 HE ARG A 13 -0.390 15.009 -12.378 1.00 13.21 H new ATOM 0 HH11 ARG A 13 0.752 14.942 -9.049 1.00 23.11 H new ATOM 0 HH12 ARG A 13 -0.552 16.001 -8.501 1.00 23.11 H new ATOM 0 HH21 ARG A 13 -1.961 16.312 -11.659 1.00 71.21 H new ATOM 0 HH22 ARG A 13 -2.058 16.761 -9.953 1.00 71.21 H new ATOM 233 N THR A 14 4.089 14.144 -9.415 1.00 31.33 N ATOM 234 CA THR A 14 3.952 13.786 -7.978 1.00 64.21 C ATOM 235 C THR A 14 2.753 12.832 -7.764 1.00 63.35 C ATOM 236 O THR A 14 1.603 13.202 -8.046 1.00 13.13 O ATOM 237 CB THR A 14 3.758 15.063 -7.092 1.00 11.12 C ATOM 238 OG1 THR A 14 4.823 15.996 -7.350 1.00 5.33 O ATOM 239 CG2 THR A 14 3.721 14.731 -5.580 1.00 3.25 C ATOM 0 H THR A 14 3.878 15.122 -9.615 1.00 31.33 H new ATOM 0 HA THR A 14 4.872 13.285 -7.679 1.00 64.21 H new ATOM 0 HB THR A 14 2.795 15.500 -7.357 1.00 11.12 H new ATOM 0 HG1 THR A 14 4.699 16.795 -6.796 1.00 5.33 H new ATOM 0 HG21 THR A 14 3.585 15.649 -5.009 1.00 3.25 H new ATOM 0 HG22 THR A 14 2.893 14.051 -5.377 1.00 3.25 H new ATOM 0 HG23 THR A 14 4.659 14.258 -5.288 1.00 3.25 H new ATOM 247 N THR A 15 3.029 11.611 -7.270 1.00 45.43 N ATOM 248 CA THR A 15 2.000 10.565 -7.082 1.00 60.20 C ATOM 249 C THR A 15 1.435 10.591 -5.634 1.00 22.22 C ATOM 250 O THR A 15 0.281 10.941 -5.429 1.00 70.43 O ATOM 251 CB THR A 15 2.556 9.123 -7.403 1.00 23.34 C ATOM 252 OG1 THR A 15 3.416 9.155 -8.558 1.00 2.44 O ATOM 253 CG2 THR A 15 1.419 8.112 -7.667 1.00 4.44 C ATOM 0 H THR A 15 3.966 11.320 -6.990 1.00 45.43 H new ATOM 0 HA THR A 15 1.198 10.787 -7.786 1.00 60.20 H new ATOM 0 HB THR A 15 3.117 8.802 -6.525 1.00 23.34 H new ATOM 0 HG1 THR A 15 3.752 8.253 -8.741 1.00 2.44 H new ATOM 0 HG21 THR A 15 1.846 7.133 -7.884 1.00 4.44 H new ATOM 0 HG22 THR A 15 0.782 8.043 -6.786 1.00 4.44 H new ATOM 0 HG23 THR A 15 0.826 8.446 -8.518 1.00 4.44 H new ATOM 261 N PHE A 16 2.263 10.230 -4.631 1.00 70.25 N ATOM 262 CA PHE A 16 1.810 10.062 -3.220 1.00 2.23 C ATOM 263 C PHE A 16 2.362 11.170 -2.285 1.00 54.05 C ATOM 264 O PHE A 16 3.346 11.845 -2.611 1.00 32.12 O ATOM 265 CB PHE A 16 2.245 8.669 -2.685 1.00 13.45 C ATOM 266 CG PHE A 16 1.783 7.501 -3.550 1.00 12.22 C ATOM 267 CD1 PHE A 16 0.438 7.142 -3.602 1.00 33.10 C ATOM 268 CD2 PHE A 16 2.688 6.768 -4.319 1.00 15.43 C ATOM 269 CE1 PHE A 16 0.016 6.089 -4.391 1.00 10.24 C ATOM 270 CE2 PHE A 16 2.261 5.714 -5.106 1.00 24.35 C ATOM 271 CZ PHE A 16 0.923 5.375 -5.142 1.00 14.24 C ATOM 0 H PHE A 16 3.257 10.046 -4.767 1.00 70.25 H new ATOM 0 HA PHE A 16 0.723 10.142 -3.221 1.00 2.23 H new ATOM 0 HB2 PHE A 16 3.332 8.644 -2.609 1.00 13.45 H new ATOM 0 HB3 PHE A 16 1.852 8.539 -1.677 1.00 13.45 H new ATOM 0 HD1 PHE A 16 -0.284 7.694 -3.018 1.00 33.10 H new ATOM 0 HD2 PHE A 16 3.736 7.027 -4.299 1.00 15.43 H new ATOM 0 HE1 PHE A 16 -1.031 5.825 -4.419 1.00 10.24 H new ATOM 0 HE2 PHE A 16 2.975 5.155 -5.693 1.00 24.35 H new ATOM 0 HZ PHE A 16 0.589 4.553 -5.757 1.00 14.24 H new ATOM 281 N THR A 17 1.711 11.329 -1.110 1.00 4.50 N ATOM 282 CA THR A 17 2.137 12.276 -0.040 1.00 20.13 C ATOM 283 C THR A 17 2.934 11.536 1.056 1.00 31.32 C ATOM 284 O THR A 17 2.889 10.304 1.131 1.00 3.52 O ATOM 285 CB THR A 17 0.910 12.998 0.636 1.00 24.34 C ATOM 286 OG1 THR A 17 0.184 12.090 1.492 1.00 52.53 O ATOM 287 CG2 THR A 17 -0.051 13.582 -0.418 1.00 32.35 C ATOM 0 H THR A 17 0.870 10.804 -0.871 1.00 4.50 H new ATOM 0 HA THR A 17 2.764 13.027 -0.522 1.00 20.13 H new ATOM 0 HB THR A 17 1.311 13.815 1.236 1.00 24.34 H new ATOM 0 HG1 THR A 17 -0.572 12.560 1.902 1.00 52.53 H new ATOM 0 HG21 THR A 17 -0.886 14.073 0.083 1.00 32.35 H new ATOM 0 HG22 THR A 17 0.481 14.308 -1.033 1.00 32.35 H new ATOM 0 HG23 THR A 17 -0.429 12.779 -1.051 1.00 32.35 H new ATOM 295 N SER A 18 3.628 12.301 1.926 1.00 21.13 N ATOM 296 CA SER A 18 4.421 11.737 3.059 1.00 24.54 C ATOM 297 C SER A 18 3.519 10.978 4.070 1.00 43.11 C ATOM 298 O SER A 18 3.930 9.968 4.650 1.00 20.40 O ATOM 299 CB SER A 18 5.194 12.860 3.790 1.00 75.23 C ATOM 300 OG SER A 18 6.058 13.565 2.907 1.00 11.34 O ATOM 0 H SER A 18 3.660 13.319 1.871 1.00 21.13 H new ATOM 0 HA SER A 18 5.130 11.025 2.636 1.00 24.54 H new ATOM 0 HB2 SER A 18 4.486 13.556 4.239 1.00 75.23 H new ATOM 0 HB3 SER A 18 5.778 12.430 4.604 1.00 75.23 H new ATOM 0 HG SER A 18 6.529 14.268 3.402 1.00 11.34 H new ATOM 306 N TYR A 19 2.283 11.488 4.264 1.00 55.40 N ATOM 307 CA TYR A 19 1.225 10.819 5.063 1.00 55.50 C ATOM 308 C TYR A 19 0.899 9.413 4.504 1.00 34.12 C ATOM 309 O TYR A 19 0.825 8.426 5.253 1.00 21.03 O ATOM 310 CB TYR A 19 -0.061 11.699 5.066 1.00 23.54 C ATOM 311 CG TYR A 19 -1.293 11.016 5.694 1.00 64.34 C ATOM 312 CD1 TYR A 19 -1.481 10.997 7.077 1.00 21.01 C ATOM 313 CD2 TYR A 19 -2.237 10.343 4.901 1.00 40.24 C ATOM 314 CE1 TYR A 19 -2.562 10.347 7.643 1.00 50.15 C ATOM 315 CE2 TYR A 19 -3.308 9.688 5.466 1.00 30.13 C ATOM 316 CZ TYR A 19 -3.468 9.691 6.837 1.00 61.43 C ATOM 317 OH TYR A 19 -4.536 9.029 7.406 1.00 21.25 O ATOM 0 H TYR A 19 1.987 12.381 3.869 1.00 55.40 H new ATOM 0 HA TYR A 19 1.592 10.698 6.082 1.00 55.50 H new ATOM 0 HB2 TYR A 19 0.145 12.622 5.609 1.00 23.54 H new ATOM 0 HB3 TYR A 19 -0.299 11.979 4.040 1.00 23.54 H new ATOM 0 HD1 TYR A 19 -0.770 11.499 7.716 1.00 21.01 H new ATOM 0 HD2 TYR A 19 -2.120 10.339 3.827 1.00 40.24 H new ATOM 0 HE1 TYR A 19 -2.696 10.353 8.715 1.00 50.15 H new ATOM 0 HE2 TYR A 19 -4.021 9.173 4.839 1.00 30.13 H new ATOM 0 HH TYR A 19 -4.697 8.192 6.923 1.00 21.25 H new ATOM 327 N GLN A 20 0.663 9.359 3.182 1.00 50.40 N ATOM 328 CA GLN A 20 0.293 8.115 2.480 1.00 52.14 C ATOM 329 C GLN A 20 1.437 7.081 2.549 1.00 10.42 C ATOM 330 O GLN A 20 1.198 5.926 2.884 1.00 2.13 O ATOM 331 CB GLN A 20 -0.115 8.426 1.014 1.00 74.52 C ATOM 332 CG GLN A 20 -1.360 9.337 0.909 1.00 21.42 C ATOM 333 CD GLN A 20 -1.737 9.734 -0.521 1.00 13.44 C ATOM 334 OE1 GLN A 20 -0.894 9.821 -1.405 1.00 12.52 O ATOM 335 NE2 GLN A 20 -3.006 10.003 -0.756 1.00 52.20 N ATOM 0 H GLN A 20 0.723 10.173 2.570 1.00 50.40 H new ATOM 0 HA GLN A 20 -0.569 7.674 2.980 1.00 52.14 H new ATOM 0 HB2 GLN A 20 0.721 8.904 0.504 1.00 74.52 H new ATOM 0 HB3 GLN A 20 -0.313 7.490 0.492 1.00 74.52 H new ATOM 0 HG2 GLN A 20 -2.208 8.827 1.366 1.00 21.42 H new ATOM 0 HG3 GLN A 20 -1.182 10.242 1.489 1.00 21.42 H new ATOM 0 HE21 GLN A 20 -3.692 9.924 -0.005 1.00 52.20 H new ATOM 0 HE22 GLN A 20 -3.302 10.290 -1.689 1.00 52.20 H new ATOM 344 N LEU A 21 2.684 7.536 2.306 1.00 73.22 N ATOM 345 CA LEU A 21 3.903 6.679 2.378 1.00 3.41 C ATOM 346 C LEU A 21 4.141 6.114 3.805 1.00 40.35 C ATOM 347 O LEU A 21 4.688 5.023 3.957 1.00 4.41 O ATOM 348 CB LEU A 21 5.158 7.476 1.915 1.00 23.24 C ATOM 349 CG LEU A 21 5.127 8.014 0.448 1.00 24.31 C ATOM 350 CD1 LEU A 21 6.428 8.769 0.098 1.00 54.34 C ATOM 351 CD2 LEU A 21 4.836 6.880 -0.564 1.00 51.50 C ATOM 0 H LEU A 21 2.882 8.504 2.054 1.00 73.22 H new ATOM 0 HA LEU A 21 3.737 5.835 1.708 1.00 3.41 H new ATOM 0 HB2 LEU A 21 5.295 8.322 2.588 1.00 23.24 H new ATOM 0 HB3 LEU A 21 6.032 6.835 2.027 1.00 23.24 H new ATOM 0 HG LEU A 21 4.307 8.729 0.377 1.00 24.31 H new ATOM 0 HD11 LEU A 21 6.374 9.130 -0.929 1.00 54.34 H new ATOM 0 HD12 LEU A 21 6.551 9.615 0.774 1.00 54.34 H new ATOM 0 HD13 LEU A 21 7.279 8.095 0.201 1.00 54.34 H new ATOM 0 HD21 LEU A 21 4.821 7.289 -1.574 1.00 51.50 H new ATOM 0 HD22 LEU A 21 5.613 6.119 -0.491 1.00 51.50 H new ATOM 0 HD23 LEU A 21 3.868 6.432 -0.340 1.00 51.50 H new ATOM 363 N GLU A 22 3.722 6.876 4.836 1.00 31.13 N ATOM 364 CA GLU A 22 3.821 6.469 6.266 1.00 73.10 C ATOM 365 C GLU A 22 3.007 5.164 6.537 1.00 1.55 C ATOM 366 O GLU A 22 3.476 4.248 7.227 1.00 44.12 O ATOM 367 CB GLU A 22 3.314 7.643 7.185 1.00 5.33 C ATOM 368 CG GLU A 22 4.257 8.065 8.330 1.00 71.50 C ATOM 369 CD GLU A 22 4.592 6.925 9.305 1.00 12.02 C ATOM 370 OE1 GLU A 22 3.757 6.607 10.179 1.00 73.04 O ATOM 371 OE2 GLU A 22 5.690 6.332 9.201 1.00 71.14 O ATOM 0 H GLU A 22 3.302 7.797 4.707 1.00 31.13 H new ATOM 0 HA GLU A 22 4.865 6.259 6.499 1.00 73.10 H new ATOM 0 HB2 GLU A 22 3.126 8.514 6.557 1.00 5.33 H new ATOM 0 HB3 GLU A 22 2.358 7.351 7.619 1.00 5.33 H new ATOM 0 HG2 GLU A 22 5.183 8.450 7.903 1.00 71.50 H new ATOM 0 HG3 GLU A 22 3.797 8.883 8.885 1.00 71.50 H new ATOM 378 N GLU A 23 1.792 5.111 5.963 1.00 2.24 N ATOM 379 CA GLU A 23 0.870 3.955 6.089 1.00 54.11 C ATOM 380 C GLU A 23 1.278 2.798 5.139 1.00 75.50 C ATOM 381 O GLU A 23 1.344 1.638 5.552 1.00 60.13 O ATOM 382 CB GLU A 23 -0.582 4.409 5.778 1.00 73.31 C ATOM 383 CG GLU A 23 -1.106 5.591 6.629 1.00 74.41 C ATOM 384 CD GLU A 23 -1.140 5.281 8.135 1.00 4.45 C ATOM 385 OE1 GLU A 23 -2.076 4.592 8.588 1.00 61.32 O ATOM 386 OE2 GLU A 23 -0.232 5.716 8.874 1.00 44.15 O ATOM 0 H GLU A 23 1.415 5.870 5.395 1.00 2.24 H new ATOM 0 HA GLU A 23 0.928 3.584 7.112 1.00 54.11 H new ATOM 0 HB2 GLU A 23 -0.640 4.688 4.726 1.00 73.31 H new ATOM 0 HB3 GLU A 23 -1.249 3.558 5.920 1.00 73.31 H new ATOM 0 HG2 GLU A 23 -0.474 6.463 6.458 1.00 74.41 H new ATOM 0 HG3 GLU A 23 -2.110 5.854 6.295 1.00 74.41 H new ATOM 393 N LEU A 24 1.564 3.159 3.863 1.00 31.22 N ATOM 394 CA LEU A 24 1.950 2.208 2.780 1.00 3.01 C ATOM 395 C LEU A 24 3.166 1.326 3.179 1.00 21.23 C ATOM 396 O LEU A 24 3.132 0.105 3.009 1.00 31.23 O ATOM 397 CB LEU A 24 2.258 2.991 1.461 1.00 4.23 C ATOM 398 CG LEU A 24 1.034 3.616 0.703 1.00 54.35 C ATOM 399 CD1 LEU A 24 1.499 4.626 -0.374 1.00 64.04 C ATOM 400 CD2 LEU A 24 0.136 2.519 0.083 1.00 45.42 C ATOM 0 H LEU A 24 1.534 4.129 3.549 1.00 31.22 H new ATOM 0 HA LEU A 24 1.105 1.539 2.616 1.00 3.01 H new ATOM 0 HB2 LEU A 24 2.956 3.794 1.698 1.00 4.23 H new ATOM 0 HB3 LEU A 24 2.771 2.315 0.777 1.00 4.23 H new ATOM 0 HG LEU A 24 0.437 4.159 1.436 1.00 54.35 H new ATOM 0 HD11 LEU A 24 0.629 5.042 -0.882 1.00 64.04 H new ATOM 0 HD12 LEU A 24 2.062 5.430 0.100 1.00 64.04 H new ATOM 0 HD13 LEU A 24 2.134 4.118 -1.099 1.00 64.04 H new ATOM 0 HD21 LEU A 24 -0.703 2.985 -0.435 1.00 45.42 H new ATOM 0 HD22 LEU A 24 0.718 1.930 -0.626 1.00 45.42 H new ATOM 0 HD23 LEU A 24 -0.241 1.868 0.872 1.00 45.42 H new ATOM 412 N GLU A 25 4.230 1.971 3.717 1.00 55.45 N ATOM 413 CA GLU A 25 5.470 1.284 4.164 1.00 70.51 C ATOM 414 C GLU A 25 5.210 0.269 5.300 1.00 11.10 C ATOM 415 O GLU A 25 5.691 -0.858 5.239 1.00 51.51 O ATOM 416 CB GLU A 25 6.549 2.319 4.607 1.00 43.55 C ATOM 417 CG GLU A 25 7.249 3.072 3.450 1.00 61.45 C ATOM 418 CD GLU A 25 8.206 2.217 2.589 1.00 45.10 C ATOM 419 OE1 GLU A 25 8.546 1.061 2.960 1.00 3.12 O ATOM 420 OE2 GLU A 25 8.658 2.717 1.532 1.00 1.20 O ATOM 0 H GLU A 25 4.254 2.981 3.854 1.00 55.45 H new ATOM 0 HA GLU A 25 5.841 0.724 3.306 1.00 70.51 H new ATOM 0 HB2 GLU A 25 6.080 3.051 5.265 1.00 43.55 H new ATOM 0 HB3 GLU A 25 7.307 1.801 5.195 1.00 43.55 H new ATOM 0 HG2 GLU A 25 6.484 3.497 2.800 1.00 61.45 H new ATOM 0 HG3 GLU A 25 7.811 3.906 3.869 1.00 61.45 H new ATOM 427 N LYS A 26 4.438 0.680 6.329 1.00 24.20 N ATOM 428 CA LYS A 26 4.083 -0.198 7.482 1.00 74.55 C ATOM 429 C LYS A 26 3.330 -1.472 7.029 1.00 33.31 C ATOM 430 O LYS A 26 3.639 -2.582 7.483 1.00 4.24 O ATOM 431 CB LYS A 26 3.247 0.591 8.530 1.00 33.12 C ATOM 432 CG LYS A 26 4.081 1.579 9.373 1.00 43.31 C ATOM 433 CD LYS A 26 3.236 2.360 10.413 1.00 73.25 C ATOM 434 CE LYS A 26 4.107 3.135 11.417 1.00 42.23 C ATOM 435 NZ LYS A 26 5.074 4.027 10.738 1.00 2.52 N ATOM 0 H LYS A 26 4.043 1.618 6.391 1.00 24.20 H new ATOM 0 HA LYS A 26 5.015 -0.521 7.946 1.00 74.55 H new ATOM 0 HB2 LYS A 26 2.460 1.142 8.014 1.00 33.12 H new ATOM 0 HB3 LYS A 26 2.756 -0.117 9.197 1.00 33.12 H new ATOM 0 HG2 LYS A 26 4.867 1.030 9.892 1.00 43.31 H new ATOM 0 HG3 LYS A 26 4.573 2.289 8.708 1.00 43.31 H new ATOM 0 HD2 LYS A 26 2.579 3.057 9.893 1.00 73.25 H new ATOM 0 HD3 LYS A 26 2.596 1.663 10.954 1.00 73.25 H new ATOM 0 HE2 LYS A 26 3.467 3.726 12.072 1.00 42.23 H new ATOM 0 HE3 LYS A 26 4.646 2.430 12.049 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 5.201 4.893 11.300 1.00 2.52 H new ATOM 0 HZ2 LYS A 26 5.988 3.540 10.642 1.00 2.52 H new ATOM 0 HZ3 LYS A 26 4.714 4.276 9.795 1.00 2.52 H new ATOM 449 N VAL A 27 2.361 -1.291 6.116 1.00 34.42 N ATOM 450 CA VAL A 27 1.607 -2.408 5.505 1.00 31.01 C ATOM 451 C VAL A 27 2.536 -3.301 4.639 1.00 74.42 C ATOM 452 O VAL A 27 2.414 -4.518 4.672 1.00 40.24 O ATOM 453 CB VAL A 27 0.385 -1.879 4.657 1.00 32.24 C ATOM 454 CG1 VAL A 27 -0.373 -3.031 3.929 1.00 21.53 C ATOM 455 CG2 VAL A 27 -0.576 -1.058 5.561 1.00 53.23 C ATOM 0 H VAL A 27 2.076 -0.371 5.779 1.00 34.42 H new ATOM 0 HA VAL A 27 1.210 -3.020 6.315 1.00 31.01 H new ATOM 0 HB VAL A 27 0.780 -1.227 3.878 1.00 32.24 H new ATOM 0 HG11 VAL A 27 -1.205 -2.616 3.359 1.00 21.53 H new ATOM 0 HG12 VAL A 27 0.310 -3.545 3.252 1.00 21.53 H new ATOM 0 HG13 VAL A 27 -0.755 -3.738 4.666 1.00 21.53 H new ATOM 0 HG21 VAL A 27 -1.416 -0.698 4.967 1.00 53.23 H new ATOM 0 HG22 VAL A 27 -0.947 -1.691 6.367 1.00 53.23 H new ATOM 0 HG23 VAL A 27 -0.040 -0.209 5.985 1.00 53.23 H new ATOM 465 N PHE A 28 3.496 -2.676 3.927 1.00 75.11 N ATOM 466 CA PHE A 28 4.458 -3.376 3.032 1.00 74.14 C ATOM 467 C PHE A 28 5.399 -4.338 3.800 1.00 13.02 C ATOM 468 O PHE A 28 5.586 -5.490 3.394 1.00 14.14 O ATOM 469 CB PHE A 28 5.305 -2.344 2.241 1.00 41.30 C ATOM 470 CG PHE A 28 6.335 -2.970 1.293 1.00 15.33 C ATOM 471 CD1 PHE A 28 5.932 -3.558 0.097 1.00 41.21 C ATOM 472 CD2 PHE A 28 7.698 -2.998 1.609 1.00 2.13 C ATOM 473 CE1 PHE A 28 6.847 -4.150 -0.748 1.00 74.33 C ATOM 474 CE2 PHE A 28 8.613 -3.589 0.757 1.00 53.02 C ATOM 475 CZ PHE A 28 8.187 -4.168 -0.421 1.00 23.05 C ATOM 0 H PHE A 28 3.632 -1.665 3.953 1.00 75.11 H new ATOM 0 HA PHE A 28 3.864 -3.978 2.344 1.00 74.14 H new ATOM 0 HB2 PHE A 28 4.635 -1.708 1.662 1.00 41.30 H new ATOM 0 HB3 PHE A 28 5.825 -1.699 2.949 1.00 41.30 H new ATOM 0 HD1 PHE A 28 4.886 -3.550 -0.173 1.00 41.21 H new ATOM 0 HD2 PHE A 28 8.040 -2.552 2.531 1.00 2.13 H new ATOM 0 HE1 PHE A 28 6.513 -4.602 -1.670 1.00 74.33 H new ATOM 0 HE2 PHE A 28 9.662 -3.597 1.014 1.00 53.02 H new ATOM 0 HZ PHE A 28 8.900 -4.634 -1.085 1.00 23.05 H new ATOM 485 N GLN A 29 5.994 -3.843 4.904 1.00 43.20 N ATOM 486 CA GLN A 29 6.997 -4.611 5.691 1.00 20.53 C ATOM 487 C GLN A 29 6.366 -5.857 6.360 1.00 10.54 C ATOM 488 O GLN A 29 7.057 -6.845 6.634 1.00 11.33 O ATOM 489 CB GLN A 29 7.675 -3.700 6.759 1.00 71.14 C ATOM 490 CG GLN A 29 8.287 -2.384 6.207 1.00 2.51 C ATOM 491 CD GLN A 29 9.306 -2.564 5.070 1.00 20.43 C ATOM 492 OE1 GLN A 29 9.353 -1.609 4.154 1.00 2.20 O flip ATOM 493 NE2 GLN A 29 10.039 -3.551 5.001 1.00 52.23 N flip ATOM 0 H GLN A 29 5.801 -2.913 5.276 1.00 43.20 H new ATOM 0 HA GLN A 29 7.761 -4.960 4.996 1.00 20.53 H new ATOM 0 HB2 GLN A 29 6.937 -3.448 7.521 1.00 71.14 H new ATOM 0 HB3 GLN A 29 8.462 -4.269 7.253 1.00 71.14 H new ATOM 0 HG2 GLN A 29 7.478 -1.747 5.851 1.00 2.51 H new ATOM 0 HG3 GLN A 29 8.772 -1.855 7.028 1.00 2.51 H new ATOM 0 HE21 GLN A 29 9.987 -4.276 5.717 1.00 52.23 H new ATOM 0 HE22 GLN A 29 10.698 -3.644 4.228 1.00 52.23 H new ATOM 502 N LYS A 30 5.042 -5.795 6.608 1.00 50.34 N ATOM 503 CA LYS A 30 4.261 -6.919 7.180 1.00 64.44 C ATOM 504 C LYS A 30 3.697 -7.846 6.069 1.00 20.44 C ATOM 505 O LYS A 30 3.702 -9.075 6.205 1.00 63.43 O ATOM 506 CB LYS A 30 3.125 -6.364 8.083 1.00 45.32 C ATOM 507 CG LYS A 30 3.648 -5.537 9.285 1.00 0.14 C ATOM 508 CD LYS A 30 2.534 -5.027 10.228 1.00 34.24 C ATOM 509 CE LYS A 30 1.536 -4.077 9.542 1.00 31.40 C ATOM 510 NZ LYS A 30 0.578 -3.505 10.513 1.00 41.31 N ATOM 0 H LYS A 30 4.480 -4.965 6.418 1.00 50.34 H new ATOM 0 HA LYS A 30 4.928 -7.528 7.791 1.00 64.44 H new ATOM 0 HB2 LYS A 30 2.464 -5.740 7.482 1.00 45.32 H new ATOM 0 HB3 LYS A 30 2.527 -7.196 8.455 1.00 45.32 H new ATOM 0 HG2 LYS A 30 4.344 -6.149 9.859 1.00 0.14 H new ATOM 0 HG3 LYS A 30 4.211 -4.683 8.908 1.00 0.14 H new ATOM 0 HD2 LYS A 30 1.991 -5.882 10.632 1.00 34.24 H new ATOM 0 HD3 LYS A 30 2.992 -4.512 11.073 1.00 34.24 H new ATOM 0 HE2 LYS A 30 2.079 -3.272 9.048 1.00 31.40 H new ATOM 0 HE3 LYS A 30 0.992 -4.617 8.767 1.00 31.40 H new ATOM 0 HZ1 LYS A 30 -0.080 -2.870 10.018 1.00 41.31 H new ATOM 0 HZ2 LYS A 30 0.043 -4.273 10.966 1.00 41.31 H new ATOM 0 HZ3 LYS A 30 1.097 -2.970 11.238 1.00 41.31 H new ATOM 524 N THR A 31 3.216 -7.245 4.964 1.00 55.21 N ATOM 525 CA THR A 31 2.713 -7.982 3.781 1.00 41.05 C ATOM 526 C THR A 31 3.015 -7.207 2.478 1.00 32.33 C ATOM 527 O THR A 31 2.664 -6.038 2.328 1.00 71.52 O ATOM 528 CB THR A 31 1.178 -8.314 3.863 1.00 3.32 C ATOM 529 OG1 THR A 31 0.759 -8.976 2.652 1.00 71.15 O ATOM 530 CG2 THR A 31 0.296 -7.070 4.098 1.00 40.23 C ATOM 0 H THR A 31 3.164 -6.231 4.863 1.00 55.21 H new ATOM 0 HA THR A 31 3.246 -8.933 3.772 1.00 41.05 H new ATOM 0 HB THR A 31 1.045 -8.966 4.726 1.00 3.32 H new ATOM 0 HG1 THR A 31 -0.044 -8.537 2.300 1.00 71.15 H new ATOM 0 HG21 THR A 31 -0.751 -7.370 4.144 1.00 40.23 H new ATOM 0 HG22 THR A 31 0.579 -6.595 5.037 1.00 40.23 H new ATOM 0 HG23 THR A 31 0.436 -6.365 3.279 1.00 40.23 H new ATOM 538 N HIS A 32 3.675 -7.885 1.530 1.00 23.13 N ATOM 539 CA HIS A 32 4.084 -7.292 0.233 1.00 51.43 C ATOM 540 C HIS A 32 2.940 -7.380 -0.818 1.00 13.30 C ATOM 541 O HIS A 32 3.104 -6.976 -1.976 1.00 12.12 O ATOM 542 CB HIS A 32 5.358 -8.016 -0.269 1.00 71.42 C ATOM 543 CG HIS A 32 6.435 -8.143 0.783 1.00 73.24 C ATOM 544 ND1 HIS A 32 6.753 -9.339 1.398 1.00 51.10 N ATOM 545 CD2 HIS A 32 7.264 -7.221 1.330 1.00 44.12 C ATOM 546 CE1 HIS A 32 7.719 -9.144 2.271 1.00 41.44 C ATOM 547 NE2 HIS A 32 8.049 -7.871 2.251 1.00 40.33 N ATOM 0 H HIS A 32 3.945 -8.863 1.633 1.00 23.13 H new ATOM 0 HA HIS A 32 4.300 -6.233 0.377 1.00 51.43 H new ATOM 0 HB2 HIS A 32 5.086 -9.011 -0.620 1.00 71.42 H new ATOM 0 HB3 HIS A 32 5.760 -7.475 -1.125 1.00 71.42 H new ATOM 0 HD2 HIS A 32 7.301 -6.169 1.087 1.00 44.12 H new ATOM 0 HE1 HIS A 32 8.165 -9.902 2.898 1.00 41.44 H new ATOM 0 HE2 HIS A 32 8.771 -7.437 2.826 1.00 40.33 H new ATOM 556 N TYR A 33 1.791 -7.926 -0.380 1.00 51.13 N ATOM 557 CA TYR A 33 0.581 -8.111 -1.198 1.00 54.20 C ATOM 558 C TYR A 33 -0.680 -8.124 -0.278 1.00 12.52 C ATOM 559 O TYR A 33 -1.023 -9.161 0.296 1.00 44.12 O ATOM 560 CB TYR A 33 0.698 -9.411 -2.072 1.00 63.33 C ATOM 561 CG TYR A 33 1.371 -10.622 -1.375 1.00 30.52 C ATOM 562 CD1 TYR A 33 0.634 -11.549 -0.629 1.00 72.31 C ATOM 563 CD2 TYR A 33 2.752 -10.838 -1.482 1.00 63.11 C ATOM 564 CE1 TYR A 33 1.247 -12.626 -0.012 1.00 51.31 C ATOM 565 CE2 TYR A 33 3.366 -11.908 -0.868 1.00 43.11 C ATOM 566 CZ TYR A 33 2.611 -12.804 -0.141 1.00 75.54 C ATOM 567 OH TYR A 33 3.229 -13.881 0.470 1.00 65.21 O ATOM 0 H TYR A 33 1.677 -8.259 0.577 1.00 51.13 H new ATOM 0 HA TYR A 33 0.477 -7.276 -1.890 1.00 54.20 H new ATOM 0 HB2 TYR A 33 -0.302 -9.706 -2.390 1.00 63.33 H new ATOM 0 HB3 TYR A 33 1.262 -9.173 -2.974 1.00 63.33 H new ATOM 0 HD1 TYR A 33 -0.434 -11.422 -0.533 1.00 72.31 H new ATOM 0 HD2 TYR A 33 3.350 -10.149 -2.060 1.00 63.11 H new ATOM 0 HE1 TYR A 33 0.661 -13.324 0.568 1.00 51.31 H new ATOM 0 HE2 TYR A 33 4.434 -12.044 -0.956 1.00 43.11 H new ATOM 0 HH TYR A 33 4.190 -13.859 0.279 1.00 65.21 H new ATOM 577 N PRO A 34 -1.375 -6.955 -0.085 1.00 2.54 N ATOM 578 CA PRO A 34 -2.569 -6.881 0.804 1.00 51.00 C ATOM 579 C PRO A 34 -3.817 -7.621 0.227 1.00 5.50 C ATOM 580 O PRO A 34 -4.133 -7.495 -0.967 1.00 54.10 O ATOM 581 CB PRO A 34 -2.812 -5.354 0.942 1.00 62.34 C ATOM 582 CG PRO A 34 -2.248 -4.763 -0.320 1.00 55.25 C ATOM 583 CD PRO A 34 -1.048 -5.627 -0.679 1.00 73.34 C ATOM 0 HA PRO A 34 -2.401 -7.381 1.758 1.00 51.00 H new ATOM 0 HB2 PRO A 34 -3.874 -5.130 1.045 1.00 62.34 H new ATOM 0 HB3 PRO A 34 -2.315 -4.952 1.825 1.00 62.34 H new ATOM 0 HG2 PRO A 34 -2.988 -4.769 -1.120 1.00 55.25 H new ATOM 0 HG3 PRO A 34 -1.952 -3.725 -0.168 1.00 55.25 H new ATOM 0 HD2 PRO A 34 -0.912 -5.694 -1.758 1.00 73.34 H new ATOM 0 HD3 PRO A 34 -0.125 -5.221 -0.266 1.00 73.34 H new ATOM 591 N ASP A 35 -4.507 -8.393 1.096 1.00 10.02 N ATOM 592 CA ASP A 35 -5.778 -9.102 0.759 1.00 55.11 C ATOM 593 C ASP A 35 -6.931 -8.106 0.474 1.00 14.42 C ATOM 594 O ASP A 35 -6.753 -6.907 0.640 1.00 72.42 O ATOM 595 CB ASP A 35 -6.166 -10.032 1.929 1.00 73.31 C ATOM 596 CG ASP A 35 -5.085 -11.076 2.235 1.00 33.12 C ATOM 597 OD1 ASP A 35 -4.117 -10.756 2.959 1.00 13.34 O ATOM 598 OD2 ASP A 35 -5.174 -12.212 1.722 1.00 25.22 O ATOM 0 H ASP A 35 -4.203 -8.547 2.057 1.00 10.02 H new ATOM 0 HA ASP A 35 -5.614 -9.686 -0.147 1.00 55.11 H new ATOM 0 HB2 ASP A 35 -6.349 -9.432 2.820 1.00 73.31 H new ATOM 0 HB3 ASP A 35 -7.100 -10.541 1.690 1.00 73.31 H new ATOM 603 N VAL A 36 -8.124 -8.616 0.089 1.00 12.21 N ATOM 604 CA VAL A 36 -9.279 -7.755 -0.312 1.00 74.53 C ATOM 605 C VAL A 36 -9.694 -6.751 0.806 1.00 14.14 C ATOM 606 O VAL A 36 -9.933 -5.567 0.534 1.00 74.11 O ATOM 607 CB VAL A 36 -10.525 -8.612 -0.781 1.00 74.02 C ATOM 608 CG1 VAL A 36 -11.146 -9.467 0.365 1.00 44.22 C ATOM 609 CG2 VAL A 36 -11.601 -7.729 -1.480 1.00 42.22 C ATOM 0 H VAL A 36 -8.319 -9.616 0.045 1.00 12.21 H new ATOM 0 HA VAL A 36 -8.932 -7.170 -1.164 1.00 74.53 H new ATOM 0 HB VAL A 36 -10.143 -9.319 -1.517 1.00 74.02 H new ATOM 0 HG11 VAL A 36 -11.995 -10.031 -0.021 1.00 44.22 H new ATOM 0 HG12 VAL A 36 -10.397 -10.158 0.750 1.00 44.22 H new ATOM 0 HG13 VAL A 36 -11.481 -8.811 1.168 1.00 44.22 H new ATOM 0 HG21 VAL A 36 -12.440 -8.353 -1.787 1.00 42.22 H new ATOM 0 HG22 VAL A 36 -11.952 -6.965 -0.786 1.00 42.22 H new ATOM 0 HG23 VAL A 36 -11.165 -7.250 -2.357 1.00 42.22 H new ATOM 619 N TYR A 37 -9.734 -7.228 2.068 1.00 63.24 N ATOM 620 CA TYR A 37 -10.097 -6.392 3.235 1.00 75.32 C ATOM 621 C TYR A 37 -8.884 -5.568 3.740 1.00 5.10 C ATOM 622 O TYR A 37 -9.054 -4.476 4.280 1.00 63.25 O ATOM 623 CB TYR A 37 -10.689 -7.267 4.371 1.00 52.44 C ATOM 624 CG TYR A 37 -11.345 -6.451 5.494 1.00 21.03 C ATOM 625 CD1 TYR A 37 -12.560 -5.800 5.275 1.00 61.13 C ATOM 626 CD2 TYR A 37 -10.753 -6.314 6.756 1.00 22.42 C ATOM 627 CE1 TYR A 37 -13.155 -5.040 6.261 1.00 44.32 C ATOM 628 CE2 TYR A 37 -11.345 -5.551 7.744 1.00 64.43 C ATOM 629 CZ TYR A 37 -12.546 -4.922 7.496 1.00 51.42 C ATOM 630 OH TYR A 37 -13.132 -4.157 8.483 1.00 54.21 O ATOM 0 H TYR A 37 -9.518 -8.196 2.307 1.00 63.24 H new ATOM 0 HA TYR A 37 -10.862 -5.684 2.915 1.00 75.32 H new ATOM 0 HB2 TYR A 37 -11.428 -7.947 3.947 1.00 52.44 H new ATOM 0 HB3 TYR A 37 -9.896 -7.883 4.796 1.00 52.44 H new ATOM 0 HD1 TYR A 37 -13.044 -5.893 4.314 1.00 61.13 H new ATOM 0 HD2 TYR A 37 -9.817 -6.813 6.960 1.00 22.42 H new ATOM 0 HE1 TYR A 37 -14.092 -4.540 6.069 1.00 44.32 H new ATOM 0 HE2 TYR A 37 -10.868 -5.448 8.708 1.00 64.43 H new ATOM 0 HH TYR A 37 -12.575 -4.181 9.289 1.00 54.21 H new ATOM 640 N ALA A 38 -7.660 -6.105 3.557 1.00 43.42 N ATOM 641 CA ALA A 38 -6.397 -5.373 3.858 1.00 43.23 C ATOM 642 C ALA A 38 -6.208 -4.155 2.908 1.00 11.51 C ATOM 643 O ALA A 38 -5.610 -3.143 3.292 1.00 13.22 O ATOM 644 CB ALA A 38 -5.194 -6.330 3.778 1.00 74.24 C ATOM 0 H ALA A 38 -7.512 -7.049 3.200 1.00 43.42 H new ATOM 0 HA ALA A 38 -6.462 -4.985 4.874 1.00 43.23 H new ATOM 0 HB1 ALA A 38 -4.278 -5.782 4.000 1.00 74.24 H new ATOM 0 HB2 ALA A 38 -5.320 -7.135 4.502 1.00 74.24 H new ATOM 0 HB3 ALA A 38 -5.131 -6.752 2.775 1.00 74.24 H new ATOM 650 N ARG A 39 -6.746 -4.269 1.670 1.00 35.51 N ATOM 651 CA ARG A 39 -6.809 -3.156 0.697 1.00 21.25 C ATOM 652 C ARG A 39 -7.858 -2.123 1.148 1.00 42.50 C ATOM 653 O ARG A 39 -7.669 -0.939 0.932 1.00 22.53 O ATOM 654 CB ARG A 39 -7.164 -3.656 -0.726 1.00 51.41 C ATOM 655 CG ARG A 39 -6.102 -4.559 -1.394 1.00 65.12 C ATOM 656 CD ARG A 39 -6.541 -5.030 -2.791 1.00 12.35 C ATOM 657 NE ARG A 39 -5.612 -6.006 -3.391 1.00 42.22 N ATOM 658 CZ ARG A 39 -5.762 -6.545 -4.585 1.00 61.54 C ATOM 659 NH1 ARG A 39 -6.777 -6.246 -5.336 1.00 12.25 N ATOM 660 NH2 ARG A 39 -4.890 -7.391 -5.022 1.00 61.33 N ATOM 0 H ARG A 39 -7.149 -5.138 1.319 1.00 35.51 H new ATOM 0 HA ARG A 39 -5.821 -2.696 0.660 1.00 21.25 H new ATOM 0 HB2 ARG A 39 -8.104 -4.205 -0.676 1.00 51.41 H new ATOM 0 HB3 ARG A 39 -7.334 -2.790 -1.365 1.00 51.41 H new ATOM 0 HG2 ARG A 39 -5.162 -4.014 -1.474 1.00 65.12 H new ATOM 0 HG3 ARG A 39 -5.914 -5.427 -0.761 1.00 65.12 H new ATOM 0 HD2 ARG A 39 -7.533 -5.476 -2.722 1.00 12.35 H new ATOM 0 HD3 ARG A 39 -6.625 -4.165 -3.449 1.00 12.35 H new ATOM 0 HE ARG A 39 -4.797 -6.283 -2.844 1.00 42.22 H new ATOM 0 HH11 ARG A 39 -7.478 -5.582 -5.006 1.00 12.25 H new ATOM 0 HH12 ARG A 39 -6.874 -6.674 -6.257 1.00 12.25 H new ATOM 0 HH21 ARG A 39 -4.088 -7.641 -4.444 1.00 61.33 H new ATOM 0 HH22 ARG A 39 -5.004 -7.809 -5.945 1.00 61.33 H new ATOM 674 N GLU A 40 -8.972 -2.596 1.755 1.00 65.13 N ATOM 675 CA GLU A 40 -10.001 -1.702 2.359 1.00 20.12 C ATOM 676 C GLU A 40 -9.402 -0.848 3.498 1.00 51.13 C ATOM 677 O GLU A 40 -9.620 0.359 3.548 1.00 71.54 O ATOM 678 CB GLU A 40 -11.211 -2.516 2.899 1.00 11.55 C ATOM 679 CG GLU A 40 -12.035 -3.237 1.821 1.00 40.31 C ATOM 680 CD GLU A 40 -12.697 -2.267 0.828 1.00 64.35 C ATOM 681 OE1 GLU A 40 -13.705 -1.626 1.198 1.00 62.14 O ATOM 682 OE2 GLU A 40 -12.216 -2.137 -0.320 1.00 44.43 O ATOM 0 H GLU A 40 -9.185 -3.590 1.842 1.00 65.13 H new ATOM 0 HA GLU A 40 -10.350 -1.038 1.568 1.00 20.12 H new ATOM 0 HB2 GLU A 40 -10.845 -3.255 3.611 1.00 11.55 H new ATOM 0 HB3 GLU A 40 -11.868 -1.842 3.449 1.00 11.55 H new ATOM 0 HG2 GLU A 40 -11.388 -3.924 1.275 1.00 40.31 H new ATOM 0 HG3 GLU A 40 -12.806 -3.839 2.302 1.00 40.31 H new ATOM 689 N GLN A 41 -8.630 -1.501 4.396 1.00 50.23 N ATOM 690 CA GLN A 41 -7.935 -0.823 5.515 1.00 52.42 C ATOM 691 C GLN A 41 -6.981 0.273 4.987 1.00 51.42 C ATOM 692 O GLN A 41 -7.134 1.448 5.313 1.00 72.44 O ATOM 693 CB GLN A 41 -7.140 -1.859 6.368 1.00 13.24 C ATOM 694 CG GLN A 41 -7.987 -2.997 6.975 1.00 34.42 C ATOM 695 CD GLN A 41 -9.118 -2.502 7.881 1.00 51.45 C ATOM 696 OE1 GLN A 41 -8.932 -2.307 9.080 1.00 44.23 O ATOM 697 NE2 GLN A 41 -10.295 -2.290 7.318 1.00 45.52 N ATOM 0 H GLN A 41 -8.471 -2.508 4.366 1.00 50.23 H new ATOM 0 HA GLN A 41 -8.688 -0.350 6.145 1.00 52.42 H new ATOM 0 HB2 GLN A 41 -6.362 -2.299 5.744 1.00 13.24 H new ATOM 0 HB3 GLN A 41 -6.637 -1.330 7.178 1.00 13.24 H new ATOM 0 HG2 GLN A 41 -8.413 -3.592 6.167 1.00 34.42 H new ATOM 0 HG3 GLN A 41 -7.336 -3.657 7.548 1.00 34.42 H new ATOM 0 HE21 GLN A 41 -10.421 -2.460 6.320 1.00 45.52 H new ATOM 0 HE22 GLN A 41 -11.077 -1.956 7.881 1.00 45.52 H new ATOM 706 N LEU A 42 -6.040 -0.140 4.120 1.00 73.44 N ATOM 707 CA LEU A 42 -4.986 0.743 3.569 1.00 14.30 C ATOM 708 C LEU A 42 -5.568 1.890 2.695 1.00 63.31 C ATOM 709 O LEU A 42 -5.127 3.028 2.806 1.00 4.43 O ATOM 710 CB LEU A 42 -3.966 -0.109 2.772 1.00 30.25 C ATOM 711 CG LEU A 42 -2.745 0.648 2.159 1.00 4.04 C ATOM 712 CD1 LEU A 42 -1.986 1.487 3.218 1.00 51.52 C ATOM 713 CD2 LEU A 42 -1.807 -0.352 1.446 1.00 35.23 C ATOM 0 H LEU A 42 -5.985 -1.099 3.778 1.00 73.44 H new ATOM 0 HA LEU A 42 -4.479 1.227 4.404 1.00 14.30 H new ATOM 0 HB2 LEU A 42 -3.586 -0.889 3.431 1.00 30.25 H new ATOM 0 HB3 LEU A 42 -4.499 -0.607 1.962 1.00 30.25 H new ATOM 0 HG LEU A 42 -3.123 1.356 1.422 1.00 4.04 H new ATOM 0 HD11 LEU A 42 -1.145 1.995 2.745 1.00 51.52 H new ATOM 0 HD12 LEU A 42 -2.661 2.226 3.649 1.00 51.52 H new ATOM 0 HD13 LEU A 42 -1.617 0.830 4.006 1.00 51.52 H new ATOM 0 HD21 LEU A 42 -0.958 0.184 1.021 1.00 35.23 H new ATOM 0 HD22 LEU A 42 -1.448 -1.089 2.164 1.00 35.23 H new ATOM 0 HD23 LEU A 42 -2.352 -0.857 0.649 1.00 35.23 H new ATOM 725 N ALA A 43 -6.577 1.582 1.856 1.00 31.15 N ATOM 726 CA ALA A 43 -7.263 2.593 0.997 1.00 62.04 C ATOM 727 C ALA A 43 -8.063 3.618 1.835 1.00 22.34 C ATOM 728 O ALA A 43 -8.255 4.745 1.408 1.00 13.52 O ATOM 729 CB ALA A 43 -8.182 1.923 -0.041 1.00 14.23 C ATOM 0 H ALA A 43 -6.944 0.636 1.748 1.00 31.15 H new ATOM 0 HA ALA A 43 -6.478 3.132 0.466 1.00 62.04 H new ATOM 0 HB1 ALA A 43 -8.664 2.689 -0.648 1.00 14.23 H new ATOM 0 HB2 ALA A 43 -7.591 1.270 -0.683 1.00 14.23 H new ATOM 0 HB3 ALA A 43 -8.943 1.335 0.472 1.00 14.23 H new ATOM 735 N MET A 44 -8.545 3.211 3.030 1.00 42.03 N ATOM 736 CA MET A 44 -9.205 4.142 3.993 1.00 11.34 C ATOM 737 C MET A 44 -8.169 4.842 4.917 1.00 44.13 C ATOM 738 O MET A 44 -8.509 5.806 5.601 1.00 12.34 O ATOM 739 CB MET A 44 -10.278 3.397 4.839 1.00 63.30 C ATOM 740 CG MET A 44 -11.449 2.849 4.006 1.00 71.33 C ATOM 741 SD MET A 44 -12.314 4.141 3.085 1.00 5.41 S ATOM 742 CE MET A 44 -13.505 3.181 2.150 1.00 24.10 C ATOM 0 H MET A 44 -8.493 2.246 3.357 1.00 42.03 H new ATOM 0 HA MET A 44 -9.702 4.916 3.408 1.00 11.34 H new ATOM 0 HB2 MET A 44 -9.802 2.571 5.368 1.00 63.30 H new ATOM 0 HB3 MET A 44 -10.669 4.078 5.596 1.00 63.30 H new ATOM 0 HG2 MET A 44 -11.074 2.100 3.308 1.00 71.33 H new ATOM 0 HG3 MET A 44 -12.155 2.345 4.666 1.00 71.33 H new ATOM 0 HE1 MET A 44 -14.109 3.849 1.536 1.00 24.10 H new ATOM 0 HE2 MET A 44 -12.979 2.474 1.508 1.00 24.10 H new ATOM 0 HE3 MET A 44 -14.152 2.636 2.837 1.00 24.10 H new ATOM 752 N ARG A 45 -6.917 4.327 4.946 1.00 64.14 N ATOM 753 CA ARG A 45 -5.786 4.932 5.712 1.00 74.44 C ATOM 754 C ARG A 45 -4.973 5.942 4.868 1.00 51.44 C ATOM 755 O ARG A 45 -4.283 6.789 5.425 1.00 23.41 O ATOM 756 CB ARG A 45 -4.841 3.806 6.265 1.00 23.12 C ATOM 757 CG ARG A 45 -5.420 2.977 7.453 1.00 71.42 C ATOM 758 CD ARG A 45 -5.341 3.705 8.820 1.00 52.15 C ATOM 759 NE ARG A 45 -6.078 4.991 8.845 1.00 61.43 N ATOM 760 CZ ARG A 45 -5.587 6.161 9.227 1.00 33.33 C ATOM 761 NH1 ARG A 45 -4.332 6.309 9.523 1.00 21.21 N ATOM 762 NH2 ARG A 45 -6.359 7.193 9.254 1.00 44.05 N ATOM 0 H ARG A 45 -6.656 3.480 4.441 1.00 64.14 H new ATOM 0 HA ARG A 45 -6.222 5.485 6.544 1.00 74.44 H new ATOM 0 HB2 ARG A 45 -4.600 3.123 5.450 1.00 23.12 H new ATOM 0 HB3 ARG A 45 -3.905 4.264 6.585 1.00 23.12 H new ATOM 0 HG2 ARG A 45 -6.461 2.734 7.241 1.00 71.42 H new ATOM 0 HG3 ARG A 45 -4.880 2.033 7.523 1.00 71.42 H new ATOM 0 HD2 ARG A 45 -5.740 3.051 9.595 1.00 52.15 H new ATOM 0 HD3 ARG A 45 -4.295 3.889 9.065 1.00 52.15 H new ATOM 0 HE ARG A 45 -7.051 4.974 8.541 1.00 61.43 H new ATOM 0 HH11 ARG A 45 -3.697 5.513 9.464 1.00 21.21 H new ATOM 0 HH12 ARG A 45 -3.981 7.221 9.814 1.00 21.21 H new ATOM 0 HH21 ARG A 45 -7.338 7.105 8.983 1.00 44.05 H new ATOM 0 HH22 ARG A 45 -5.991 8.098 9.547 1.00 44.05 H new ATOM 776 N THR A 46 -5.029 5.816 3.528 1.00 33.32 N ATOM 777 CA THR A 46 -4.261 6.684 2.582 1.00 10.22 C ATOM 778 C THR A 46 -5.168 7.471 1.610 1.00 75.04 C ATOM 779 O THR A 46 -4.730 8.476 1.044 1.00 10.10 O ATOM 780 CB THR A 46 -3.254 5.832 1.745 1.00 4.24 C ATOM 781 OG1 THR A 46 -3.958 4.798 1.027 1.00 30.33 O ATOM 782 CG2 THR A 46 -2.166 5.197 2.622 1.00 30.31 C ATOM 0 H THR A 46 -5.603 5.115 3.061 1.00 33.32 H new ATOM 0 HA THR A 46 -3.729 7.404 3.204 1.00 10.22 H new ATOM 0 HB THR A 46 -2.765 6.507 1.042 1.00 4.24 H new ATOM 0 HG1 THR A 46 -4.419 4.213 1.664 1.00 30.33 H new ATOM 0 HG21 THR A 46 -1.489 4.614 1.997 1.00 30.31 H new ATOM 0 HG22 THR A 46 -1.605 5.981 3.131 1.00 30.31 H new ATOM 0 HG23 THR A 46 -2.630 4.544 3.361 1.00 30.31 H new ATOM 790 N ASP A 47 -6.421 6.993 1.431 1.00 64.12 N ATOM 791 CA ASP A 47 -7.403 7.536 0.455 1.00 22.04 C ATOM 792 C ASP A 47 -6.896 7.390 -1.010 1.00 43.50 C ATOM 793 O ASP A 47 -6.709 8.381 -1.725 1.00 30.44 O ATOM 794 CB ASP A 47 -7.805 9.001 0.804 1.00 54.00 C ATOM 795 CG ASP A 47 -8.227 9.175 2.270 1.00 64.05 C ATOM 796 OD1 ASP A 47 -9.259 8.604 2.672 1.00 44.22 O ATOM 797 OD2 ASP A 47 -7.514 9.870 3.029 1.00 1.33 O ATOM 0 H ASP A 47 -6.787 6.207 1.968 1.00 64.12 H new ATOM 0 HA ASP A 47 -8.310 6.937 0.531 1.00 22.04 H new ATOM 0 HB2 ASP A 47 -6.965 9.662 0.593 1.00 54.00 H new ATOM 0 HB3 ASP A 47 -8.625 9.311 0.156 1.00 54.00 H new ATOM 802 N LEU A 48 -6.653 6.133 -1.428 1.00 13.15 N ATOM 803 CA LEU A 48 -6.145 5.803 -2.787 1.00 23.10 C ATOM 804 C LEU A 48 -7.083 4.809 -3.516 1.00 13.41 C ATOM 805 O LEU A 48 -7.835 4.074 -2.873 1.00 22.22 O ATOM 806 CB LEU A 48 -4.726 5.167 -2.697 1.00 75.15 C ATOM 807 CG LEU A 48 -3.615 6.012 -2.003 1.00 32.42 C ATOM 808 CD1 LEU A 48 -2.303 5.202 -1.859 1.00 33.30 C ATOM 809 CD2 LEU A 48 -3.379 7.343 -2.744 1.00 31.13 C ATOM 0 H LEU A 48 -6.801 5.314 -0.839 1.00 13.15 H new ATOM 0 HA LEU A 48 -6.105 6.735 -3.350 1.00 23.10 H new ATOM 0 HB2 LEU A 48 -4.813 4.219 -2.166 1.00 75.15 H new ATOM 0 HB3 LEU A 48 -4.393 4.936 -3.709 1.00 75.15 H new ATOM 0 HG LEU A 48 -3.962 6.255 -0.999 1.00 32.42 H new ATOM 0 HD11 LEU A 48 -1.547 5.818 -1.372 1.00 33.30 H new ATOM 0 HD12 LEU A 48 -2.489 4.312 -1.258 1.00 33.30 H new ATOM 0 HD13 LEU A 48 -1.948 4.905 -2.846 1.00 33.30 H new ATOM 0 HD21 LEU A 48 -2.599 7.909 -2.235 1.00 31.13 H new ATOM 0 HD22 LEU A 48 -3.070 7.139 -3.769 1.00 31.13 H new ATOM 0 HD23 LEU A 48 -4.302 7.923 -2.752 1.00 31.13 H new ATOM 821 N THR A 49 -7.016 4.798 -4.866 1.00 74.10 N ATOM 822 CA THR A 49 -7.631 3.728 -5.701 1.00 10.30 C ATOM 823 C THR A 49 -6.868 2.392 -5.490 1.00 22.31 C ATOM 824 O THR A 49 -5.646 2.416 -5.354 1.00 51.35 O ATOM 825 CB THR A 49 -7.597 4.124 -7.223 1.00 74.14 C ATOM 826 OG1 THR A 49 -8.295 5.365 -7.427 1.00 4.42 O ATOM 827 CG2 THR A 49 -8.192 3.034 -8.148 1.00 32.51 C ATOM 0 H THR A 49 -6.541 5.520 -5.408 1.00 74.10 H new ATOM 0 HA THR A 49 -8.670 3.605 -5.396 1.00 10.30 H new ATOM 0 HB THR A 49 -6.546 4.233 -7.492 1.00 74.14 H new ATOM 0 HG1 THR A 49 -8.267 5.604 -8.377 1.00 4.42 H new ATOM 0 HG21 THR A 49 -8.139 3.368 -9.184 1.00 32.51 H new ATOM 0 HG22 THR A 49 -7.624 2.111 -8.035 1.00 32.51 H new ATOM 0 HG23 THR A 49 -9.233 2.855 -7.877 1.00 32.51 H new ATOM 835 N GLU A 50 -7.582 1.241 -5.489 1.00 20.33 N ATOM 836 CA GLU A 50 -6.972 -0.103 -5.271 1.00 73.12 C ATOM 837 C GLU A 50 -5.847 -0.406 -6.295 1.00 54.11 C ATOM 838 O GLU A 50 -4.806 -0.956 -5.931 1.00 42.01 O ATOM 839 CB GLU A 50 -8.050 -1.230 -5.306 1.00 23.11 C ATOM 840 CG GLU A 50 -9.065 -1.228 -4.127 1.00 52.23 C ATOM 841 CD GLU A 50 -10.090 -0.076 -4.177 1.00 75.53 C ATOM 842 OE1 GLU A 50 -11.120 -0.223 -4.860 1.00 74.35 O ATOM 843 OE2 GLU A 50 -9.855 0.986 -3.558 1.00 42.10 O ATOM 0 H GLU A 50 -8.591 1.212 -5.638 1.00 20.33 H new ATOM 0 HA GLU A 50 -6.523 -0.083 -4.278 1.00 73.12 H new ATOM 0 HB2 GLU A 50 -8.606 -1.147 -6.240 1.00 23.11 H new ATOM 0 HB3 GLU A 50 -7.541 -2.194 -5.322 1.00 23.11 H new ATOM 0 HG2 GLU A 50 -9.602 -2.177 -4.123 1.00 52.23 H new ATOM 0 HG3 GLU A 50 -8.514 -1.169 -3.188 1.00 52.23 H new ATOM 850 N ALA A 51 -6.071 -0.014 -7.567 1.00 22.43 N ATOM 851 CA ALA A 51 -5.064 -0.153 -8.651 1.00 5.14 C ATOM 852 C ALA A 51 -3.798 0.694 -8.365 1.00 62.25 C ATOM 853 O ALA A 51 -2.673 0.233 -8.560 1.00 44.21 O ATOM 854 CB ALA A 51 -5.683 0.249 -10.000 1.00 4.44 C ATOM 0 H ALA A 51 -6.948 0.406 -7.875 1.00 22.43 H new ATOM 0 HA ALA A 51 -4.759 -1.198 -8.694 1.00 5.14 H new ATOM 0 HB1 ALA A 51 -4.937 0.144 -10.788 1.00 4.44 H new ATOM 0 HB2 ALA A 51 -6.534 -0.397 -10.217 1.00 4.44 H new ATOM 0 HB3 ALA A 51 -6.017 1.285 -9.953 1.00 4.44 H new ATOM 860 N ARG A 52 -4.021 1.931 -7.882 1.00 64.22 N ATOM 861 CA ARG A 52 -2.952 2.905 -7.528 1.00 23.22 C ATOM 862 C ARG A 52 -2.107 2.424 -6.309 1.00 51.34 C ATOM 863 O ARG A 52 -0.894 2.660 -6.248 1.00 3.44 O ATOM 864 CB ARG A 52 -3.619 4.275 -7.245 1.00 41.15 C ATOM 865 CG ARG A 52 -2.664 5.430 -6.872 1.00 13.30 C ATOM 866 CD ARG A 52 -3.430 6.739 -6.628 1.00 54.33 C ATOM 867 NE ARG A 52 -2.569 7.843 -6.175 1.00 1.02 N ATOM 868 CZ ARG A 52 -3.009 9.023 -5.792 1.00 13.11 C ATOM 869 NH1 ARG A 52 -4.274 9.332 -5.839 1.00 14.11 N ATOM 870 NH2 ARG A 52 -2.176 9.891 -5.350 1.00 71.33 N ATOM 0 H ARG A 52 -4.960 2.294 -7.722 1.00 64.22 H new ATOM 0 HA ARG A 52 -2.256 2.995 -8.362 1.00 23.22 H new ATOM 0 HB2 ARG A 52 -4.186 4.570 -8.128 1.00 41.15 H new ATOM 0 HB3 ARG A 52 -4.336 4.147 -6.434 1.00 41.15 H new ATOM 0 HG2 ARG A 52 -2.102 5.164 -5.977 1.00 13.30 H new ATOM 0 HG3 ARG A 52 -1.938 5.576 -7.672 1.00 13.30 H new ATOM 0 HD2 ARG A 52 -3.933 7.034 -7.549 1.00 54.33 H new ATOM 0 HD3 ARG A 52 -4.206 6.564 -5.883 1.00 54.33 H new ATOM 0 HE ARG A 52 -1.562 7.683 -6.157 1.00 1.02 H new ATOM 0 HH11 ARG A 52 -4.953 8.651 -6.179 1.00 14.11 H new ATOM 0 HH12 ARG A 52 -4.585 10.255 -5.535 1.00 14.11 H new ATOM 0 HH21 ARG A 52 -1.183 9.664 -5.298 1.00 71.33 H new ATOM 0 HH22 ARG A 52 -2.506 10.808 -5.051 1.00 71.33 H new ATOM 884 N VAL A 53 -2.778 1.745 -5.352 1.00 44.40 N ATOM 885 CA VAL A 53 -2.122 1.056 -4.211 1.00 24.14 C ATOM 886 C VAL A 53 -1.148 -0.029 -4.733 1.00 34.25 C ATOM 887 O VAL A 53 0.022 -0.073 -4.344 1.00 72.15 O ATOM 888 CB VAL A 53 -3.201 0.401 -3.253 1.00 62.12 C ATOM 889 CG1 VAL A 53 -2.553 -0.470 -2.144 1.00 52.23 C ATOM 890 CG2 VAL A 53 -4.120 1.484 -2.631 1.00 1.54 C ATOM 0 H VAL A 53 -3.794 1.657 -5.347 1.00 44.40 H new ATOM 0 HA VAL A 53 -1.560 1.796 -3.641 1.00 24.14 H new ATOM 0 HB VAL A 53 -3.810 -0.262 -3.868 1.00 62.12 H new ATOM 0 HG11 VAL A 53 -3.333 -0.897 -1.514 1.00 52.23 H new ATOM 0 HG12 VAL A 53 -1.977 -1.274 -2.603 1.00 52.23 H new ATOM 0 HG13 VAL A 53 -1.893 0.148 -1.535 1.00 52.23 H new ATOM 0 HG21 VAL A 53 -4.852 1.009 -1.978 1.00 1.54 H new ATOM 0 HG22 VAL A 53 -3.517 2.184 -2.052 1.00 1.54 H new ATOM 0 HG23 VAL A 53 -4.638 2.022 -3.425 1.00 1.54 H new ATOM 900 N GLN A 54 -1.656 -0.858 -5.663 1.00 65.10 N ATOM 901 CA GLN A 54 -0.878 -1.949 -6.295 1.00 74.40 C ATOM 902 C GLN A 54 0.331 -1.414 -7.108 1.00 21.03 C ATOM 903 O GLN A 54 1.376 -2.048 -7.105 1.00 2.30 O ATOM 904 CB GLN A 54 -1.808 -2.831 -7.175 1.00 41.40 C ATOM 905 CG GLN A 54 -2.913 -3.556 -6.376 1.00 71.42 C ATOM 906 CD GLN A 54 -3.915 -4.307 -7.259 1.00 61.42 C ATOM 907 OE1 GLN A 54 -4.929 -3.758 -7.679 1.00 34.20 O ATOM 908 NE2 GLN A 54 -3.631 -5.557 -7.566 1.00 42.12 N ATOM 0 H GLN A 54 -2.617 -0.794 -6.000 1.00 65.10 H new ATOM 0 HA GLN A 54 -0.464 -2.567 -5.498 1.00 74.40 H new ATOM 0 HB2 GLN A 54 -2.273 -2.205 -7.937 1.00 41.40 H new ATOM 0 HB3 GLN A 54 -1.203 -3.573 -7.697 1.00 41.40 H new ATOM 0 HG2 GLN A 54 -2.448 -4.261 -5.687 1.00 71.42 H new ATOM 0 HG3 GLN A 54 -3.450 -2.826 -5.771 1.00 71.42 H new ATOM 0 HE21 GLN A 54 -2.782 -5.991 -7.204 1.00 42.12 H new ATOM 0 HE22 GLN A 54 -4.261 -6.091 -8.165 1.00 42.12 H new ATOM 917 N VAL A 55 0.184 -0.230 -7.764 1.00 55.14 N ATOM 918 CA VAL A 55 1.314 0.460 -8.473 1.00 21.23 C ATOM 919 C VAL A 55 2.497 0.719 -7.513 1.00 71.14 C ATOM 920 O VAL A 55 3.656 0.424 -7.843 1.00 34.42 O ATOM 921 CB VAL A 55 0.873 1.834 -9.124 1.00 30.41 C ATOM 922 CG1 VAL A 55 2.074 2.582 -9.783 1.00 10.44 C ATOM 923 CG2 VAL A 55 -0.260 1.622 -10.147 1.00 31.23 C ATOM 0 H VAL A 55 -0.703 0.271 -7.820 1.00 55.14 H new ATOM 0 HA VAL A 55 1.625 -0.214 -9.271 1.00 21.23 H new ATOM 0 HB VAL A 55 0.499 2.464 -8.317 1.00 30.41 H new ATOM 0 HG11 VAL A 55 1.725 3.519 -10.217 1.00 10.44 H new ATOM 0 HG12 VAL A 55 2.831 2.792 -9.027 1.00 10.44 H new ATOM 0 HG13 VAL A 55 2.506 1.958 -10.566 1.00 10.44 H new ATOM 0 HG21 VAL A 55 -0.544 2.581 -10.579 1.00 31.23 H new ATOM 0 HG22 VAL A 55 0.084 0.955 -10.938 1.00 31.23 H new ATOM 0 HG23 VAL A 55 -1.122 1.179 -9.648 1.00 31.23 H new ATOM 933 N TRP A 56 2.173 1.257 -6.314 1.00 51.54 N ATOM 934 CA TRP A 56 3.175 1.531 -5.262 1.00 24.13 C ATOM 935 C TRP A 56 3.920 0.234 -4.876 1.00 73.22 C ATOM 936 O TRP A 56 5.144 0.207 -4.876 1.00 31.23 O ATOM 937 CB TRP A 56 2.525 2.157 -3.997 1.00 65.12 C ATOM 938 CG TRP A 56 3.547 2.598 -2.960 1.00 20.15 C ATOM 939 CD1 TRP A 56 4.218 3.787 -2.928 1.00 22.03 C ATOM 940 CD2 TRP A 56 4.037 1.845 -1.841 1.00 73.44 C ATOM 941 NE1 TRP A 56 5.076 3.821 -1.863 1.00 15.52 N ATOM 942 CE2 TRP A 56 4.983 2.648 -1.181 1.00 4.42 C ATOM 943 CE3 TRP A 56 3.759 0.578 -1.331 1.00 62.44 C ATOM 944 CZ2 TRP A 56 5.658 2.224 -0.046 1.00 61.01 C ATOM 945 CZ3 TRP A 56 4.428 0.154 -0.205 1.00 54.44 C ATOM 946 CH2 TRP A 56 5.365 0.978 0.431 1.00 74.24 C ATOM 0 H TRP A 56 1.220 1.510 -6.052 1.00 51.54 H new ATOM 0 HA TRP A 56 3.885 2.251 -5.670 1.00 24.13 H new ATOM 0 HB2 TRP A 56 1.922 3.015 -4.292 1.00 65.12 H new ATOM 0 HB3 TRP A 56 1.848 1.431 -3.546 1.00 65.12 H new ATOM 0 HD1 TRP A 56 4.090 4.587 -3.642 1.00 22.03 H new ATOM 0 HE1 TRP A 56 5.687 4.601 -1.620 1.00 15.52 H new ATOM 0 HE3 TRP A 56 3.032 -0.060 -1.811 1.00 62.44 H new ATOM 0 HZ2 TRP A 56 6.387 2.854 0.442 1.00 61.01 H new ATOM 0 HZ3 TRP A 56 4.227 -0.829 0.194 1.00 54.44 H new ATOM 0 HH2 TRP A 56 5.867 0.620 1.318 1.00 74.24 H new ATOM 957 N PHE A 57 3.147 -0.834 -4.576 1.00 42.23 N ATOM 958 CA PHE A 57 3.696 -2.154 -4.180 1.00 62.44 C ATOM 959 C PHE A 57 4.569 -2.794 -5.290 1.00 30.25 C ATOM 960 O PHE A 57 5.555 -3.441 -4.975 1.00 12.53 O ATOM 961 CB PHE A 57 2.561 -3.131 -3.741 1.00 5.43 C ATOM 962 CG PHE A 57 2.071 -2.902 -2.309 1.00 70.52 C ATOM 963 CD1 PHE A 57 1.152 -1.905 -2.008 1.00 4.23 C ATOM 964 CD2 PHE A 57 2.552 -3.684 -1.257 1.00 24.14 C ATOM 965 CE1 PHE A 57 0.733 -1.691 -0.712 1.00 33.45 C ATOM 966 CE2 PHE A 57 2.135 -3.470 0.041 1.00 70.03 C ATOM 967 CZ PHE A 57 1.224 -2.474 0.314 1.00 11.12 C ATOM 0 H PHE A 57 2.128 -0.807 -4.601 1.00 42.23 H new ATOM 0 HA PHE A 57 4.347 -1.972 -3.325 1.00 62.44 H new ATOM 0 HB2 PHE A 57 1.719 -3.026 -4.425 1.00 5.43 H new ATOM 0 HB3 PHE A 57 2.920 -4.156 -3.833 1.00 5.43 H new ATOM 0 HD1 PHE A 57 0.759 -1.287 -2.802 1.00 4.23 H new ATOM 0 HD2 PHE A 57 3.263 -4.470 -1.463 1.00 24.14 H new ATOM 0 HE1 PHE A 57 0.019 -0.909 -0.499 1.00 33.45 H new ATOM 0 HE2 PHE A 57 2.523 -4.083 0.842 1.00 70.03 H new ATOM 0 HZ PHE A 57 0.894 -2.306 1.329 1.00 11.12 H new ATOM 977 N GLN A 58 4.221 -2.596 -6.577 1.00 30.52 N ATOM 978 CA GLN A 58 5.020 -3.137 -7.714 1.00 32.24 C ATOM 979 C GLN A 58 6.416 -2.471 -7.792 1.00 63.13 C ATOM 980 O GLN A 58 7.441 -3.160 -7.849 1.00 44.44 O ATOM 981 CB GLN A 58 4.256 -2.956 -9.052 1.00 45.10 C ATOM 982 CG GLN A 58 2.968 -3.793 -9.156 1.00 22.21 C ATOM 983 CD GLN A 58 2.192 -3.549 -10.450 1.00 54.04 C ATOM 984 OE1 GLN A 58 1.337 -2.672 -10.524 1.00 2.12 O ATOM 985 NE2 GLN A 58 2.485 -4.322 -11.477 1.00 55.52 N ATOM 0 H GLN A 58 3.396 -2.068 -6.863 1.00 30.52 H new ATOM 0 HA GLN A 58 5.169 -4.202 -7.538 1.00 32.24 H new ATOM 0 HB2 GLN A 58 4.004 -1.903 -9.175 1.00 45.10 H new ATOM 0 HB3 GLN A 58 4.918 -3.223 -9.876 1.00 45.10 H new ATOM 0 HG2 GLN A 58 3.223 -4.850 -9.087 1.00 22.21 H new ATOM 0 HG3 GLN A 58 2.325 -3.565 -8.306 1.00 22.21 H new ATOM 0 HE21 GLN A 58 3.201 -5.043 -11.385 1.00 55.52 H new ATOM 0 HE22 GLN A 58 1.996 -4.199 -12.364 1.00 55.52 H new ATOM 994 N ASN A 59 6.430 -1.125 -7.773 1.00 62.22 N ATOM 995 CA ASN A 59 7.680 -0.318 -7.782 1.00 3.54 C ATOM 996 C ASN A 59 8.515 -0.548 -6.499 1.00 31.21 C ATOM 997 O ASN A 59 9.750 -0.578 -6.539 1.00 43.53 O ATOM 998 CB ASN A 59 7.344 1.194 -7.927 1.00 63.50 C ATOM 999 CG ASN A 59 6.624 1.542 -9.236 1.00 42.35 C ATOM 1000 OD1 ASN A 59 5.848 0.758 -9.772 1.00 22.04 O ATOM 1001 ND2 ASN A 59 6.881 2.721 -9.771 1.00 11.42 N ATOM 0 H ASN A 59 5.581 -0.561 -7.751 1.00 62.22 H new ATOM 0 HA ASN A 59 8.275 -0.642 -8.636 1.00 3.54 H new ATOM 0 HB2 ASN A 59 6.721 1.501 -7.087 1.00 63.50 H new ATOM 0 HB3 ASN A 59 8.267 1.770 -7.866 1.00 63.50 H new ATOM 0 HD21 ASN A 59 6.431 2.993 -10.645 1.00 11.42 H new ATOM 0 HD22 ASN A 59 7.529 3.360 -9.310 1.00 11.42 H new ATOM 1008 N ARG A 60 7.814 -0.736 -5.370 1.00 32.14 N ATOM 1009 CA ARG A 60 8.437 -0.907 -4.044 1.00 14.11 C ATOM 1010 C ARG A 60 9.103 -2.301 -3.897 1.00 34.54 C ATOM 1011 O ARG A 60 10.191 -2.402 -3.343 1.00 44.45 O ATOM 1012 CB ARG A 60 7.382 -0.670 -2.934 1.00 35.43 C ATOM 1013 CG ARG A 60 7.927 -0.717 -1.498 1.00 4.13 C ATOM 1014 CD ARG A 60 9.040 0.305 -1.230 1.00 42.32 C ATOM 1015 NE ARG A 60 9.540 0.210 0.144 1.00 11.52 N ATOM 1016 CZ ARG A 60 10.529 -0.548 0.562 1.00 73.10 C ATOM 1017 NH1 ARG A 60 11.166 -1.353 -0.245 1.00 2.52 N ATOM 1018 NH2 ARG A 60 10.867 -0.494 1.804 1.00 53.11 N ATOM 0 H ARG A 60 6.795 -0.774 -5.349 1.00 32.14 H new ATOM 0 HA ARG A 60 9.230 -0.166 -3.941 1.00 14.11 H new ATOM 0 HB2 ARG A 60 6.916 0.302 -3.098 1.00 35.43 H new ATOM 0 HB3 ARG A 60 6.598 -1.420 -3.033 1.00 35.43 H new ATOM 0 HG2 ARG A 60 7.108 -0.540 -0.801 1.00 4.13 H new ATOM 0 HG3 ARG A 60 8.308 -1.718 -1.295 1.00 4.13 H new ATOM 0 HD2 ARG A 60 9.861 0.142 -1.929 1.00 42.32 H new ATOM 0 HD3 ARG A 60 8.662 1.311 -1.412 1.00 42.32 H new ATOM 0 HE ARG A 60 9.075 0.788 0.844 1.00 11.52 H new ATOM 0 HH11 ARG A 60 10.900 -1.405 -1.228 1.00 2.52 H new ATOM 0 HH12 ARG A 60 11.930 -1.930 0.108 1.00 2.52 H new ATOM 0 HH21 ARG A 60 10.370 0.128 2.441 1.00 53.11 H new ATOM 0 HH22 ARG A 60 11.632 -1.074 2.150 1.00 53.11 H new ATOM 1032 N ARG A 61 8.434 -3.358 -4.408 1.00 42.44 N ATOM 1033 CA ARG A 61 8.987 -4.745 -4.461 1.00 64.13 C ATOM 1034 C ARG A 61 10.175 -4.828 -5.448 1.00 30.11 C ATOM 1035 O ARG A 61 11.132 -5.580 -5.222 1.00 64.14 O ATOM 1036 CB ARG A 61 7.873 -5.766 -4.866 1.00 60.22 C ATOM 1037 CG ARG A 61 6.806 -6.022 -3.770 1.00 72.23 C ATOM 1038 CD ARG A 61 5.542 -6.746 -4.279 1.00 23.20 C ATOM 1039 NE ARG A 61 5.825 -8.082 -4.829 1.00 32.54 N ATOM 1040 CZ ARG A 61 5.036 -9.131 -4.736 1.00 42.20 C ATOM 1041 NH1 ARG A 61 3.919 -9.088 -4.066 1.00 3.44 N ATOM 1042 NH2 ARG A 61 5.391 -10.232 -5.305 1.00 63.41 N ATOM 0 H ARG A 61 7.494 -3.282 -4.798 1.00 42.44 H new ATOM 0 HA ARG A 61 9.350 -5.001 -3.466 1.00 64.13 H new ATOM 0 HB2 ARG A 61 7.373 -5.402 -5.764 1.00 60.22 H new ATOM 0 HB3 ARG A 61 8.344 -6.714 -5.125 1.00 60.22 H new ATOM 0 HG2 ARG A 61 7.255 -6.614 -2.972 1.00 72.23 H new ATOM 0 HG3 ARG A 61 6.514 -5.067 -3.332 1.00 72.23 H new ATOM 0 HD2 ARG A 61 4.829 -6.840 -3.460 1.00 23.20 H new ATOM 0 HD3 ARG A 61 5.066 -6.137 -5.047 1.00 23.20 H new ATOM 0 HE ARG A 61 6.708 -8.205 -5.324 1.00 32.54 H new ATOM 0 HH11 ARG A 61 3.638 -8.226 -3.598 1.00 3.44 H new ATOM 0 HH12 ARG A 61 3.326 -9.916 -4.010 1.00 3.44 H new ATOM 0 HH21 ARG A 61 6.272 -10.280 -5.817 1.00 63.41 H new ATOM 0 HH22 ARG A 61 4.791 -11.055 -5.243 1.00 63.41 H new ATOM 1056 N ALA A 62 10.095 -4.040 -6.541 1.00 5.13 N ATOM 1057 CA ALA A 62 11.150 -3.960 -7.577 1.00 3.03 C ATOM 1058 C ALA A 62 12.478 -3.409 -7.003 1.00 3.03 C ATOM 1059 O ALA A 62 13.548 -3.980 -7.233 1.00 60.25 O ATOM 1060 CB ALA A 62 10.662 -3.097 -8.754 1.00 55.34 C ATOM 0 H ALA A 62 9.294 -3.438 -6.732 1.00 5.13 H new ATOM 0 HA ALA A 62 11.351 -4.970 -7.935 1.00 3.03 H new ATOM 0 HB1 ALA A 62 11.442 -3.042 -9.513 1.00 55.34 H new ATOM 0 HB2 ALA A 62 9.767 -3.544 -9.186 1.00 55.34 H new ATOM 0 HB3 ALA A 62 10.431 -2.093 -8.398 1.00 55.34 H new ATOM 1066 N LYS A 63 12.382 -2.306 -6.225 1.00 22.34 N ATOM 1067 CA LYS A 63 13.560 -1.660 -5.598 1.00 62.41 C ATOM 1068 C LYS A 63 13.985 -2.397 -4.296 1.00 23.51 C ATOM 1069 O LYS A 63 15.145 -2.316 -3.885 1.00 4.15 O ATOM 1070 CB LYS A 63 13.267 -0.142 -5.354 1.00 13.10 C ATOM 1071 CG LYS A 63 12.219 0.214 -4.244 1.00 54.35 C ATOM 1072 CD LYS A 63 12.831 0.372 -2.823 1.00 1.30 C ATOM 1073 CE LYS A 63 13.860 1.520 -2.737 1.00 55.21 C ATOM 1074 NZ LYS A 63 14.617 1.496 -1.464 1.00 12.43 N ATOM 0 H LYS A 63 11.498 -1.843 -6.016 1.00 22.34 H new ATOM 0 HA LYS A 63 14.407 -1.732 -6.280 1.00 62.41 H new ATOM 0 HB2 LYS A 63 14.207 0.347 -5.101 1.00 13.10 H new ATOM 0 HB3 LYS A 63 12.925 0.292 -6.294 1.00 13.10 H new ATOM 0 HG2 LYS A 63 11.717 1.142 -4.517 1.00 54.35 H new ATOM 0 HG3 LYS A 63 11.457 -0.565 -4.215 1.00 54.35 H new ATOM 0 HD2 LYS A 63 12.030 0.554 -2.106 1.00 1.30 H new ATOM 0 HD3 LYS A 63 13.312 -0.563 -2.534 1.00 1.30 H new ATOM 0 HE2 LYS A 63 14.555 1.446 -3.573 1.00 55.21 H new ATOM 0 HE3 LYS A 63 13.345 2.476 -2.834 1.00 55.21 H new ATOM 0 HZ1 LYS A 63 15.296 2.284 -1.449 1.00 12.43 H new ATOM 0 HZ2 LYS A 63 13.957 1.592 -0.666 1.00 12.43 H new ATOM 0 HZ3 LYS A 63 15.130 0.595 -1.382 1.00 12.43 H new ATOM 1088 N TRP A 64 13.026 -3.111 -3.656 1.00 61.41 N ATOM 1089 CA TRP A 64 13.272 -3.913 -2.420 1.00 1.23 C ATOM 1090 C TRP A 64 14.312 -5.030 -2.682 1.00 1.23 C ATOM 1091 O TRP A 64 15.080 -5.411 -1.789 1.00 35.05 O ATOM 1092 CB TRP A 64 11.928 -4.515 -1.917 1.00 13.41 C ATOM 1093 CG TRP A 64 12.002 -5.328 -0.642 1.00 75.42 C ATOM 1094 CD1 TRP A 64 11.966 -4.859 0.641 1.00 32.13 C ATOM 1095 CD2 TRP A 64 12.128 -6.755 -0.539 1.00 22.32 C ATOM 1096 NE1 TRP A 64 12.037 -5.901 1.526 1.00 1.15 N ATOM 1097 CE2 TRP A 64 12.144 -7.076 0.829 1.00 44.24 C ATOM 1098 CE3 TRP A 64 12.220 -7.789 -1.479 1.00 20.31 C ATOM 1099 CZ2 TRP A 64 12.257 -8.388 1.285 1.00 30.43 C ATOM 1100 CZ3 TRP A 64 12.331 -9.093 -1.029 1.00 74.31 C ATOM 1101 CH2 TRP A 64 12.346 -9.383 0.346 1.00 4.44 C ATOM 0 H TRP A 64 12.059 -3.150 -3.978 1.00 61.41 H new ATOM 0 HA TRP A 64 13.680 -3.259 -1.649 1.00 1.23 H new ATOM 0 HB2 TRP A 64 11.222 -3.699 -1.764 1.00 13.41 H new ATOM 0 HB3 TRP A 64 11.518 -5.147 -2.705 1.00 13.41 H new ATOM 0 HD1 TRP A 64 11.892 -3.817 0.917 1.00 32.13 H new ATOM 0 HE1 TRP A 64 12.014 -5.816 2.542 1.00 1.15 H new ATOM 0 HE3 TRP A 64 12.205 -7.572 -2.537 1.00 20.31 H new ATOM 0 HZ2 TRP A 64 12.274 -8.613 2.341 1.00 30.43 H new ATOM 0 HZ3 TRP A 64 12.407 -9.899 -1.744 1.00 74.31 H new ATOM 0 HH2 TRP A 64 12.429 -10.410 0.669 1.00 4.44 H new ATOM 1112 N ARG A 65 14.300 -5.548 -3.923 1.00 43.22 N ATOM 1113 CA ARG A 65 15.274 -6.544 -4.393 1.00 23.31 C ATOM 1114 C ARG A 65 16.687 -5.925 -4.522 1.00 44.43 C ATOM 1115 O ARG A 65 16.870 -4.933 -5.245 1.00 54.32 O ATOM 1116 CB ARG A 65 14.812 -7.125 -5.750 1.00 21.44 C ATOM 1117 CG ARG A 65 13.537 -7.986 -5.674 1.00 32.21 C ATOM 1118 CD ARG A 65 13.721 -9.231 -4.785 1.00 11.15 C ATOM 1119 NE ARG A 65 12.573 -10.149 -4.871 1.00 54.21 N ATOM 1120 CZ ARG A 65 12.607 -11.381 -5.347 1.00 71.23 C ATOM 1121 NH1 ARG A 65 13.706 -11.886 -5.829 1.00 55.02 N ATOM 1122 NH2 ARG A 65 11.530 -12.087 -5.359 1.00 44.32 N ATOM 0 H ARG A 65 13.612 -5.286 -4.629 1.00 43.22 H new ATOM 0 HA ARG A 65 15.329 -7.348 -3.659 1.00 23.31 H new ATOM 0 HB2 ARG A 65 14.639 -6.302 -6.443 1.00 21.44 H new ATOM 0 HB3 ARG A 65 15.619 -7.728 -6.166 1.00 21.44 H new ATOM 0 HG2 ARG A 65 12.717 -7.383 -5.284 1.00 32.21 H new ATOM 0 HG3 ARG A 65 13.253 -8.299 -6.679 1.00 32.21 H new ATOM 0 HD2 ARG A 65 14.628 -9.757 -5.082 1.00 11.15 H new ATOM 0 HD3 ARG A 65 13.858 -8.919 -3.750 1.00 11.15 H new ATOM 0 HE ARG A 65 11.674 -9.804 -4.534 1.00 54.21 H new ATOM 0 HH11 ARG A 65 14.560 -11.328 -5.843 1.00 55.02 H new ATOM 0 HH12 ARG A 65 13.713 -12.839 -6.192 1.00 55.02 H new ATOM 0 HH21 ARG A 65 10.659 -11.694 -5.003 1.00 44.32 H new ATOM 0 HH22 ARG A 65 11.548 -13.039 -5.725 1.00 44.32 H new ATOM 1136 N LYS A 66 17.656 -6.524 -3.791 1.00 61.44 N ATOM 1137 CA LYS A 66 19.076 -6.095 -3.751 1.00 22.11 C ATOM 1138 C LYS A 66 19.252 -4.674 -3.142 1.00 55.13 C ATOM 1139 O LYS A 66 18.328 -4.176 -2.482 1.00 4.54 O ATOM 1140 CB LYS A 66 19.756 -6.256 -5.141 1.00 52.05 C ATOM 1141 CG LYS A 66 19.796 -7.718 -5.646 1.00 23.34 C ATOM 1142 CD LYS A 66 20.724 -7.913 -6.863 1.00 20.40 C ATOM 1143 CE LYS A 66 22.202 -7.597 -6.536 1.00 41.05 C ATOM 1144 NZ LYS A 66 22.717 -8.394 -5.384 1.00 12.02 N ATOM 0 H LYS A 66 17.470 -7.335 -3.201 1.00 61.44 H new ATOM 0 HA LYS A 66 19.600 -6.766 -3.070 1.00 22.11 H new ATOM 0 HB2 LYS A 66 19.224 -5.643 -5.869 1.00 52.05 H new ATOM 0 HB3 LYS A 66 20.775 -5.872 -5.084 1.00 52.05 H new ATOM 0 HG2 LYS A 66 20.128 -8.367 -4.836 1.00 23.34 H new ATOM 0 HG3 LYS A 66 18.787 -8.032 -5.912 1.00 23.34 H new ATOM 0 HD2 LYS A 66 20.645 -8.941 -7.215 1.00 20.40 H new ATOM 0 HD3 LYS A 66 20.390 -7.270 -7.678 1.00 20.40 H new ATOM 0 HE2 LYS A 66 22.816 -7.797 -7.415 1.00 41.05 H new ATOM 0 HE3 LYS A 66 22.302 -6.535 -6.312 1.00 41.05 H new ATOM 0 HZ1 LYS A 66 23.756 -8.427 -5.421 1.00 12.02 H new ATOM 0 HZ2 LYS A 66 22.416 -7.950 -4.493 1.00 12.02 H new ATOM 0 HZ3 LYS A 66 22.338 -9.361 -5.434 1.00 12.02 H new ATOM 1158 N ARG A 67 20.455 -4.048 -3.353 1.00 74.13 N ATOM 1159 CA ARG A 67 20.975 -2.906 -2.535 1.00 73.31 C ATOM 1160 C ARG A 67 21.411 -3.436 -1.149 1.00 54.52 C ATOM 1161 O ARG A 67 22.581 -3.291 -0.764 1.00 3.32 O ATOM 1162 CB ARG A 67 19.980 -1.685 -2.426 1.00 61.32 C ATOM 1163 CG ARG A 67 20.359 -0.453 -3.286 1.00 11.25 C ATOM 1164 CD ARG A 67 21.649 0.237 -2.784 1.00 13.54 C ATOM 1165 NE ARG A 67 22.042 1.376 -3.634 1.00 13.14 N ATOM 1166 CZ ARG A 67 23.003 2.239 -3.364 1.00 25.15 C ATOM 1167 NH1 ARG A 67 23.703 2.172 -2.268 1.00 50.35 N ATOM 1168 NH2 ARG A 67 23.266 3.172 -4.211 1.00 0.40 N ATOM 0 H ARG A 67 21.092 -4.325 -4.100 1.00 74.13 H new ATOM 0 HA ARG A 67 21.839 -2.494 -3.056 1.00 73.31 H new ATOM 0 HB2 ARG A 67 18.984 -2.020 -2.717 1.00 61.32 H new ATOM 0 HB3 ARG A 67 19.920 -1.376 -1.382 1.00 61.32 H new ATOM 0 HG2 ARG A 67 20.495 -0.763 -4.322 1.00 11.25 H new ATOM 0 HG3 ARG A 67 19.538 0.263 -3.273 1.00 11.25 H new ATOM 0 HD2 ARG A 67 21.498 0.584 -1.762 1.00 13.54 H new ATOM 0 HD3 ARG A 67 22.460 -0.490 -2.757 1.00 13.54 H new ATOM 0 HE ARG A 67 21.527 1.508 -4.505 1.00 13.14 H new ATOM 0 HH11 ARG A 67 23.515 1.436 -1.587 1.00 50.35 H new ATOM 0 HH12 ARG A 67 24.439 2.855 -2.090 1.00 50.35 H new ATOM 0 HH21 ARG A 67 22.734 3.238 -5.079 1.00 0.40 H new ATOM 0 HH22 ARG A 67 24.006 3.845 -4.014 1.00 0.40 H new ATOM 1182 N GLU A 68 20.424 -4.037 -0.420 1.00 41.21 N ATOM 1183 CA GLU A 68 20.602 -4.947 0.764 1.00 15.22 C ATOM 1184 C GLU A 68 21.514 -4.391 1.892 1.00 32.12 C ATOM 1185 O GLU A 68 21.915 -3.224 1.855 1.00 21.24 O ATOM 1186 CB GLU A 68 21.046 -6.375 0.294 1.00 62.10 C ATOM 1187 CG GLU A 68 22.480 -6.485 -0.273 1.00 41.24 C ATOM 1188 CD GLU A 68 22.771 -7.856 -0.906 1.00 44.43 C ATOM 1189 OE1 GLU A 68 22.440 -8.049 -2.109 1.00 13.23 O ATOM 1190 OE2 GLU A 68 23.316 -8.743 -0.209 1.00 54.42 O ATOM 0 H GLU A 68 19.440 -3.897 -0.647 1.00 41.21 H new ATOM 0 HA GLU A 68 19.621 -5.015 1.235 1.00 15.22 H new ATOM 0 HB2 GLU A 68 20.957 -7.058 1.139 1.00 62.10 H new ATOM 0 HB3 GLU A 68 20.347 -6.719 -0.469 1.00 62.10 H new ATOM 0 HG2 GLU A 68 22.630 -5.706 -1.021 1.00 41.24 H new ATOM 0 HG3 GLU A 68 23.197 -6.301 0.527 1.00 41.24 H new ATOM 1197 N ARG A 69 21.763 -5.227 2.934 1.00 62.05 N ATOM 1198 CA ARG A 69 22.665 -4.896 4.074 1.00 20.01 C ATOM 1199 C ARG A 69 22.088 -3.753 4.977 1.00 71.42 C ATOM 1200 O ARG A 69 21.327 -2.897 4.515 1.00 35.14 O ATOM 1201 CB ARG A 69 24.092 -4.537 3.547 1.00 34.30 C ATOM 1202 CG ARG A 69 25.168 -4.249 4.623 1.00 5.34 C ATOM 1203 CD ARG A 69 26.482 -3.722 4.018 1.00 30.33 C ATOM 1204 NE ARG A 69 26.265 -2.490 3.236 1.00 44.15 N ATOM 1205 CZ ARG A 69 27.121 -1.506 3.090 1.00 3.42 C ATOM 1206 NH1 ARG A 69 28.294 -1.535 3.650 1.00 45.40 N ATOM 1207 NH2 ARG A 69 26.784 -0.485 2.376 1.00 42.11 N ATOM 0 H ARG A 69 21.343 -6.154 3.009 1.00 62.05 H new ATOM 0 HA ARG A 69 22.737 -5.782 4.705 1.00 20.01 H new ATOM 0 HB2 ARG A 69 24.443 -5.359 2.923 1.00 34.30 H new ATOM 0 HB3 ARG A 69 24.009 -3.661 2.903 1.00 34.30 H new ATOM 0 HG2 ARG A 69 24.780 -3.519 5.333 1.00 5.34 H new ATOM 0 HG3 ARG A 69 25.370 -5.162 5.183 1.00 5.34 H new ATOM 0 HD2 ARG A 69 27.198 -3.525 4.816 1.00 30.33 H new ATOM 0 HD3 ARG A 69 26.921 -4.487 3.378 1.00 30.33 H new ATOM 0 HE ARG A 69 25.366 -2.394 2.765 1.00 44.15 H new ATOM 0 HH11 ARG A 69 28.568 -2.336 4.219 1.00 45.40 H new ATOM 0 HH12 ARG A 69 28.940 -0.757 3.520 1.00 45.40 H new ATOM 0 HH21 ARG A 69 25.865 -0.452 1.936 1.00 42.11 H new ATOM 0 HH22 ARG A 69 27.437 0.289 2.252 1.00 42.11 H new ATOM 1221 N PHE A 70 22.460 -3.784 6.279 1.00 2.14 N ATOM 1222 CA PHE A 70 22.090 -2.779 7.318 1.00 73.42 C ATOM 1223 C PHE A 70 20.618 -2.932 7.794 1.00 24.05 C ATOM 1224 O PHE A 70 20.371 -3.085 8.997 1.00 71.52 O ATOM 1225 CB PHE A 70 22.404 -1.315 6.873 1.00 12.31 C ATOM 1226 CG PHE A 70 22.175 -0.267 7.966 1.00 11.34 C ATOM 1227 CD1 PHE A 70 23.132 -0.052 8.961 1.00 14.04 C ATOM 1228 CD2 PHE A 70 21.004 0.497 8.009 1.00 53.41 C ATOM 1229 CE1 PHE A 70 22.925 0.886 9.957 1.00 11.25 C ATOM 1230 CE2 PHE A 70 20.800 1.431 9.005 1.00 22.32 C ATOM 1231 CZ PHE A 70 21.761 1.629 9.977 1.00 10.30 C ATOM 0 H PHE A 70 23.045 -4.531 6.652 1.00 2.14 H new ATOM 0 HA PHE A 70 22.725 -2.990 8.179 1.00 73.42 H new ATOM 0 HB2 PHE A 70 23.442 -1.261 6.545 1.00 12.31 H new ATOM 0 HB3 PHE A 70 21.784 -1.067 6.011 1.00 12.31 H new ATOM 0 HD1 PHE A 70 24.047 -0.626 8.953 1.00 14.04 H new ATOM 0 HD2 PHE A 70 20.248 0.354 7.251 1.00 53.41 H new ATOM 0 HE1 PHE A 70 23.675 1.037 10.720 1.00 11.25 H new ATOM 0 HE2 PHE A 70 19.887 2.008 9.024 1.00 22.32 H new ATOM 0 HZ PHE A 70 21.602 2.364 10.752 1.00 10.30 H new ATOM 1241 N GLY A 71 19.649 -2.850 6.856 1.00 2.15 N ATOM 1242 CA GLY A 71 18.220 -3.059 7.161 1.00 24.31 C ATOM 1243 C GLY A 71 17.889 -4.523 7.493 1.00 10.11 C ATOM 1244 O GLY A 71 17.268 -5.234 6.693 1.00 62.52 O ATOM 0 H GLY A 71 19.835 -2.639 5.875 1.00 2.15 H new ATOM 0 HA2 GLY A 71 17.937 -2.427 8.003 1.00 24.31 H new ATOM 0 HA3 GLY A 71 17.621 -2.740 6.308 1.00 24.31 H new ATOM 1248 N GLN A 72 18.321 -4.964 8.691 1.00 31.34 N ATOM 1249 CA GLN A 72 18.219 -6.368 9.140 1.00 51.04 C ATOM 1250 C GLN A 72 16.868 -6.636 9.841 1.00 73.32 C ATOM 1251 O GLN A 72 16.424 -5.843 10.681 1.00 4.33 O ATOM 1252 CB GLN A 72 19.397 -6.696 10.094 1.00 71.12 C ATOM 1253 CG GLN A 72 19.441 -8.159 10.595 1.00 12.32 C ATOM 1254 CD GLN A 72 20.657 -8.455 11.478 1.00 74.01 C ATOM 1255 OE1 GLN A 72 21.707 -8.864 10.994 1.00 22.41 O ATOM 1256 NE2 GLN A 72 20.535 -8.223 12.770 1.00 4.15 N ATOM 0 H GLN A 72 18.755 -4.350 9.381 1.00 31.34 H new ATOM 0 HA GLN A 72 18.271 -7.015 8.264 1.00 51.04 H new ATOM 0 HB2 GLN A 72 20.333 -6.474 9.581 1.00 71.12 H new ATOM 0 HB3 GLN A 72 19.342 -6.033 10.957 1.00 71.12 H new ATOM 0 HG2 GLN A 72 18.531 -8.372 11.156 1.00 12.32 H new ATOM 0 HG3 GLN A 72 19.451 -8.831 9.737 1.00 12.32 H new ATOM 0 HE21 GLN A 72 19.650 -7.883 13.146 1.00 4.15 H new ATOM 0 HE22 GLN A 72 21.326 -8.383 13.394 1.00 4.15 H new ATOM 1265 N MET A 73 16.242 -7.771 9.490 1.00 73.02 N ATOM 1266 CA MET A 73 14.953 -8.224 10.062 1.00 43.42 C ATOM 1267 C MET A 73 14.828 -9.768 9.923 1.00 22.14 C ATOM 1268 O MET A 73 15.161 -10.336 8.872 1.00 32.13 O ATOM 1269 CB MET A 73 13.760 -7.503 9.360 1.00 65.34 C ATOM 1270 CG MET A 73 13.774 -7.587 7.825 1.00 4.31 C ATOM 1271 SD MET A 73 12.335 -6.809 7.052 1.00 25.44 S ATOM 1272 CE MET A 73 12.532 -5.088 7.531 1.00 31.31 C ATOM 0 H MET A 73 16.618 -8.412 8.792 1.00 73.02 H new ATOM 0 HA MET A 73 14.924 -7.967 11.121 1.00 43.42 H new ATOM 0 HB2 MET A 73 12.827 -7.933 9.726 1.00 65.34 H new ATOM 0 HB3 MET A 73 13.764 -6.453 9.653 1.00 65.34 H new ATOM 0 HG2 MET A 73 14.680 -7.111 7.450 1.00 4.31 H new ATOM 0 HG3 MET A 73 13.817 -8.634 7.526 1.00 4.31 H new ATOM 0 HE1 MET A 73 11.858 -4.467 6.942 1.00 31.31 H new ATOM 0 HE2 MET A 73 12.297 -4.976 8.589 1.00 31.31 H new ATOM 0 HE3 MET A 73 13.561 -4.776 7.353 1.00 31.31 H new ATOM 1282 N GLN A 74 14.350 -10.436 10.988 1.00 61.04 N ATOM 1283 CA GLN A 74 14.179 -11.908 11.007 1.00 10.05 C ATOM 1284 C GLN A 74 12.868 -12.273 10.261 1.00 30.13 C ATOM 1285 O GLN A 74 11.783 -12.268 10.854 1.00 2.22 O ATOM 1286 CB GLN A 74 14.184 -12.429 12.491 1.00 21.23 C ATOM 1287 CG GLN A 74 14.530 -13.933 12.699 1.00 35.32 C ATOM 1288 CD GLN A 74 13.501 -14.936 12.165 1.00 35.03 C ATOM 1289 OE1 GLN A 74 13.561 -15.350 11.015 1.00 54.33 O ATOM 1290 NE2 GLN A 74 12.526 -15.304 12.979 1.00 62.15 N ATOM 0 H GLN A 74 14.072 -9.979 11.856 1.00 61.04 H new ATOM 0 HA GLN A 74 15.008 -12.395 10.493 1.00 10.05 H new ATOM 0 HB2 GLN A 74 14.898 -11.833 13.059 1.00 21.23 H new ATOM 0 HB3 GLN A 74 13.200 -12.243 12.921 1.00 21.23 H new ATOM 0 HG2 GLN A 74 15.488 -14.135 12.220 1.00 35.32 H new ATOM 0 HG3 GLN A 74 14.663 -14.111 13.766 1.00 35.32 H new ATOM 0 HE21 GLN A 74 12.496 -14.946 13.934 1.00 62.15 H new ATOM 0 HE22 GLN A 74 11.804 -15.946 12.652 1.00 62.15 H new ATOM 1299 N GLN A 75 12.979 -12.522 8.938 1.00 1.40 N ATOM 1300 CA GLN A 75 11.835 -12.941 8.092 1.00 31.24 C ATOM 1301 C GLN A 75 11.688 -14.495 8.119 1.00 24.04 C ATOM 1302 O GLN A 75 10.854 -15.009 8.893 1.00 37.23 O ATOM 1303 CB GLN A 75 12.012 -12.409 6.636 1.00 60.03 C ATOM 1304 CG GLN A 75 12.139 -10.869 6.525 1.00 10.24 C ATOM 1305 CD GLN A 75 12.169 -10.346 5.081 1.00 45.52 C ATOM 1306 OE1 GLN A 75 11.563 -10.920 4.183 1.00 32.02 O ATOM 1307 NE2 GLN A 75 12.872 -9.256 4.843 1.00 75.24 N ATOM 1308 OXT GLN A 75 12.424 -15.195 7.387 1.00 37.23 O ATOM 0 H GLN A 75 13.858 -12.439 8.427 1.00 1.40 H new ATOM 0 HA GLN A 75 10.918 -12.509 8.493 1.00 31.24 H new ATOM 0 HB2 GLN A 75 12.901 -12.866 6.201 1.00 60.03 H new ATOM 0 HB3 GLN A 75 11.161 -12.735 6.038 1.00 60.03 H new ATOM 0 HG2 GLN A 75 11.303 -10.407 7.050 1.00 10.24 H new ATOM 0 HG3 GLN A 75 13.049 -10.552 7.034 1.00 10.24 H new ATOM 0 HE21 GLN A 75 13.369 -8.793 5.604 1.00 75.24 H new ATOM 0 HE22 GLN A 75 12.919 -8.876 3.898 1.00 75.24 H new TER 1317 GLN A 75