USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 724 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 51 THR OG1 : rot 140:sc= 0.106 USER MOD Set 1.2: A 97 MET CE :methyl 165:sc= 0 (180deg=-0.472) USER MOD Single : A 4 SER OG : rot -31:sc= 0.311 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.999 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot -5:sc= 0.97 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0516 USER MOD Single : A 31 SER OG : rot 180:sc= -0.261 USER MOD Single : A 32 THR OG1 : rot 78:sc= 0.0107 USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0141) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -2.21 F(o=-4.1,f=-2.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -35:sc= 0.333 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.903 K(o=0.9,f=-12!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -101:sc= -0.0977 (180deg=-2.31!) USER MOD Single : A 59 MET CE :methyl -125:sc= 0 (180deg=-1.15) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -165:sc= -0.0509 (180deg=-0.366) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0873 K(o=-0.087,f=-4.4!) USER MOD Single : A 93 ASN : amide:sc= -6.02! C(o=-6!,f=-20!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.199 K(o=0.2,f=-0.44) USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -0.277 (180deg=-1.16) USER MOD Single : A 102 MET CE :methyl -115:sc= -2.81! (180deg=-7.63!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 165:sc= -0.723 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -7.857 7.624 5.727 1.00 0.00 N ATOM 47 CA SER A 4 -7.384 6.815 6.845 1.00 0.00 C ATOM 48 C SER A 4 -8.391 5.727 7.195 1.00 0.00 C ATOM 49 O SER A 4 -9.570 6.001 7.415 1.00 0.00 O ATOM 50 CB SER A 4 -7.121 7.699 8.065 1.00 0.00 C ATOM 51 OG SER A 4 -8.160 8.648 8.243 1.00 0.00 O ATOM 0 HA SER A 4 -6.452 6.336 6.546 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.036 7.077 8.956 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.169 8.216 7.945 1.00 0.00 H new ATOM 0 HG SER A 4 -8.539 8.886 7.371 1.00 0.00 H new ATOM 57 N GLY A 5 -7.912 4.489 7.246 1.00 0.00 N ATOM 58 CA GLY A 5 -8.770 3.368 7.572 1.00 0.00 C ATOM 59 C GLY A 5 -7.979 2.189 8.096 1.00 0.00 C ATOM 60 O GLY A 5 -6.822 1.997 7.721 1.00 0.00 O ATOM 0 H GLY A 5 -6.939 4.242 7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.502 3.676 8.319 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.327 3.067 6.685 1.00 0.00 H new ATOM 64 N ALA A 6 -8.592 1.397 8.967 1.00 0.00 N ATOM 65 CA ALA A 6 -7.916 0.242 9.537 1.00 0.00 C ATOM 66 C ALA A 6 -7.582 -0.788 8.469 1.00 0.00 C ATOM 67 O ALA A 6 -8.393 -1.080 7.591 1.00 0.00 O ATOM 68 CB ALA A 6 -8.755 -0.396 10.627 1.00 0.00 C ATOM 0 H ALA A 6 -9.549 1.533 9.291 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.983 0.597 9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.226 -1.257 11.036 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.934 0.330 11.420 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.708 -0.720 10.210 1.00 0.00 H new ATOM 74 N ALA A 7 -6.378 -1.333 8.555 1.00 0.00 N ATOM 75 CA ALA A 7 -5.920 -2.336 7.603 1.00 0.00 C ATOM 76 C ALA A 7 -4.882 -3.270 8.223 1.00 0.00 C ATOM 77 O ALA A 7 -4.106 -2.863 9.087 1.00 0.00 O ATOM 78 CB ALA A 7 -5.348 -1.660 6.368 1.00 0.00 C ATOM 0 H ALA A 7 -5.697 -1.097 9.277 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.780 -2.942 7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.008 -2.418 5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.118 -1.047 5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.507 -1.029 6.655 1.00 0.00 H new ATOM 84 N ILE A 8 -4.873 -4.526 7.773 1.00 0.00 N ATOM 85 CA ILE A 8 -3.928 -5.514 8.281 1.00 0.00 C ATOM 86 C ILE A 8 -2.712 -5.635 7.376 1.00 0.00 C ATOM 87 O ILE A 8 -2.823 -5.568 6.153 1.00 0.00 O ATOM 88 CB ILE A 8 -4.567 -6.908 8.376 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.889 -6.847 9.120 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.626 -7.899 9.051 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.713 -8.085 8.909 1.00 0.00 C ATOM 0 H ILE A 8 -5.510 -4.880 7.059 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.631 -5.167 9.271 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.757 -7.255 7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.699 -6.715 10.185 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.452 -5.976 8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.105 -8.877 9.104 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.705 -7.977 8.474 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.395 -7.553 10.058 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.649 -7.997 9.460 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.927 -8.203 7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.162 -8.954 9.267 1.00 0.00 H new ATOM 103 N PHE A 9 -1.559 -5.839 7.991 1.00 0.00 N ATOM 104 CA PHE A 9 -0.321 -6.002 7.251 1.00 0.00 C ATOM 105 C PHE A 9 0.582 -7.007 7.957 1.00 0.00 C ATOM 106 O PHE A 9 1.162 -6.709 8.999 1.00 0.00 O ATOM 107 CB PHE A 9 0.392 -4.662 7.087 1.00 0.00 C ATOM 108 CG PHE A 9 1.681 -4.761 6.326 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.703 -5.277 5.041 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.870 -4.338 6.895 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.888 -5.368 4.336 1.00 0.00 C ATOM 112 CE2 PHE A 9 4.059 -4.429 6.197 1.00 0.00 C ATOM 113 CZ PHE A 9 4.068 -4.944 4.916 1.00 0.00 C ATOM 0 H PHE A 9 -1.456 -5.896 9.004 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.558 -6.382 6.257 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.272 -3.966 6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.592 -4.243 8.073 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.783 -5.612 4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.868 -3.932 7.896 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.892 -5.770 3.334 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.980 -4.098 6.653 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.996 -5.015 4.368 1.00 0.00 H new ATOM 123 N GLU A 10 0.684 -8.201 7.378 1.00 0.00 N ATOM 124 CA GLU A 10 1.504 -9.271 7.936 1.00 0.00 C ATOM 125 C GLU A 10 0.809 -9.947 9.118 1.00 0.00 C ATOM 126 O GLU A 10 1.409 -10.139 10.176 1.00 0.00 O ATOM 127 CB GLU A 10 2.873 -8.739 8.362 1.00 0.00 C ATOM 128 CG GLU A 10 3.574 -7.929 7.284 1.00 0.00 C ATOM 129 CD GLU A 10 4.972 -7.500 7.691 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.309 -7.630 8.886 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.727 -7.032 6.813 1.00 0.00 O ATOM 0 H GLU A 10 0.203 -8.452 6.514 1.00 0.00 H new ATOM 0 HA GLU A 10 1.646 -10.017 7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.752 -8.118 9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.508 -9.579 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.631 -8.520 6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.979 -7.045 7.055 1.00 0.00 H new ATOM 138 N LYS A 11 -0.453 -10.332 8.924 1.00 0.00 N ATOM 139 CA LYS A 11 -1.220 -11.011 9.954 1.00 0.00 C ATOM 140 C LYS A 11 -1.398 -10.159 11.209 1.00 0.00 C ATOM 141 O LYS A 11 -1.802 -10.666 12.255 1.00 0.00 O ATOM 142 CB LYS A 11 -0.542 -12.327 10.292 1.00 0.00 C ATOM 143 CG LYS A 11 -0.927 -13.452 9.350 1.00 0.00 C ATOM 144 CD LYS A 11 -2.106 -14.250 9.884 1.00 0.00 C ATOM 145 CE LYS A 11 -3.409 -13.824 9.227 1.00 0.00 C ATOM 146 NZ LYS A 11 -4.542 -14.710 9.616 1.00 0.00 N ATOM 0 H LYS A 11 -0.964 -10.181 8.054 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.221 -11.196 9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.539 -12.190 10.263 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.800 -12.611 11.312 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.179 -13.039 8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.074 -14.115 9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.938 -15.312 9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.180 -14.115 10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.639 -12.796 9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.291 -13.839 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.412 -14.387 9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.335 -15.687 9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.671 -14.676 10.647 1.00 0.00 H new ATOM 160 N VAL A 12 -1.128 -8.862 11.097 1.00 0.00 N ATOM 161 CA VAL A 12 -1.293 -7.956 12.210 1.00 0.00 C ATOM 162 C VAL A 12 -2.196 -6.809 11.779 1.00 0.00 C ATOM 163 O VAL A 12 -2.110 -6.346 10.644 1.00 0.00 O ATOM 164 CB VAL A 12 0.059 -7.415 12.719 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.146 -6.328 13.766 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.903 -8.549 13.283 1.00 0.00 C ATOM 0 H VAL A 12 -0.793 -8.421 10.240 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.747 -8.501 13.037 1.00 0.00 H new ATOM 0 HB VAL A 12 0.588 -6.972 11.875 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.823 -5.964 14.108 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.709 -5.504 13.329 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.699 -6.737 14.612 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.854 -8.153 13.638 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.374 -9.019 14.112 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.087 -9.288 12.503 1.00 0.00 H new ATOM 176 N SER A 13 -3.082 -6.381 12.663 1.00 0.00 N ATOM 177 CA SER A 13 -4.014 -5.314 12.328 1.00 0.00 C ATOM 178 C SER A 13 -3.605 -3.985 12.942 1.00 0.00 C ATOM 179 O SER A 13 -3.021 -3.929 14.025 1.00 0.00 O ATOM 180 CB SER A 13 -5.428 -5.682 12.781 1.00 0.00 C ATOM 181 OG SER A 13 -5.759 -7.004 12.396 1.00 0.00 O ATOM 0 H SER A 13 -3.177 -6.751 13.609 1.00 0.00 H new ATOM 0 HA SER A 13 -3.996 -5.198 11.244 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.503 -5.586 13.864 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.145 -4.984 12.349 1.00 0.00 H new ATOM 0 HG SER A 13 -6.667 -7.215 12.699 1.00 0.00 H new ATOM 187 N GLY A 14 -3.928 -2.919 12.226 1.00 0.00 N ATOM 188 CA GLY A 14 -3.615 -1.580 12.671 1.00 0.00 C ATOM 189 C GLY A 14 -4.295 -0.546 11.802 1.00 0.00 C ATOM 190 O GLY A 14 -5.006 -0.899 10.861 1.00 0.00 O ATOM 0 H GLY A 14 -4.410 -2.962 11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.931 -1.454 13.707 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.536 -1.428 12.646 1.00 0.00 H new ATOM 194 N ILE A 15 -4.091 0.728 12.102 1.00 0.00 N ATOM 195 CA ILE A 15 -4.707 1.786 11.318 1.00 0.00 C ATOM 196 C ILE A 15 -3.772 2.274 10.220 1.00 0.00 C ATOM 197 O ILE A 15 -2.604 2.576 10.461 1.00 0.00 O ATOM 198 CB ILE A 15 -5.159 2.961 12.209 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.422 2.558 12.966 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.413 4.215 11.380 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.194 1.455 13.976 1.00 0.00 C ATOM 0 H ILE A 15 -3.509 1.052 12.875 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.594 1.364 10.846 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.364 3.192 12.918 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.823 3.432 13.479 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.177 2.234 12.250 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.730 5.026 12.035 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.497 4.502 10.864 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.194 4.014 10.647 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.133 1.220 14.476 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.822 0.566 13.466 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.462 1.783 14.714 1.00 0.00 H new ATOM 213 N ILE A 16 -4.307 2.332 9.006 1.00 0.00 N ATOM 214 CA ILE A 16 -3.550 2.763 7.845 1.00 0.00 C ATOM 215 C ILE A 16 -3.896 4.206 7.482 1.00 0.00 C ATOM 216 O ILE A 16 -5.043 4.519 7.162 1.00 0.00 O ATOM 217 CB ILE A 16 -3.837 1.821 6.646 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.677 0.840 6.456 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.094 2.608 5.363 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.784 -0.005 5.203 1.00 0.00 C ATOM 0 H ILE A 16 -5.275 2.082 8.803 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.488 2.717 8.085 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.743 1.257 6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.742 1.400 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.626 0.181 7.323 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.291 1.915 4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.956 3.260 5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.218 3.211 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.925 -0.674 5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.701 -0.594 5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.803 0.644 4.327 1.00 0.00 H new ATOM 232 N ALA A 17 -2.896 5.080 7.532 1.00 0.00 N ATOM 233 CA ALA A 17 -3.094 6.485 7.204 1.00 0.00 C ATOM 234 C ALA A 17 -2.370 6.845 5.914 1.00 0.00 C ATOM 235 O ALA A 17 -1.279 6.345 5.644 1.00 0.00 O ATOM 236 CB ALA A 17 -2.615 7.368 8.345 1.00 0.00 C ATOM 0 H ALA A 17 -1.941 4.839 7.797 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.161 6.655 7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.770 8.415 8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.177 7.132 9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.554 7.191 8.521 1.00 0.00 H new ATOM 242 N ILE A 18 -2.982 7.712 5.116 1.00 0.00 N ATOM 243 CA ILE A 18 -2.395 8.131 3.857 1.00 0.00 C ATOM 244 C ILE A 18 -1.814 9.538 3.975 1.00 0.00 C ATOM 245 O ILE A 18 -2.533 10.500 4.246 1.00 0.00 O ATOM 246 CB ILE A 18 -3.444 8.075 2.720 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.327 6.751 1.964 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.294 9.250 1.764 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.581 6.376 1.205 1.00 0.00 C ATOM 0 H ILE A 18 -3.886 8.137 5.322 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.585 7.443 3.614 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.434 8.142 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.494 6.814 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.090 5.957 2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.046 9.178 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.428 10.183 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.300 9.231 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.426 5.426 0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.413 6.281 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.808 7.150 0.472 1.00 0.00 H new ATOM 261 N ASN A 19 -0.506 9.650 3.770 1.00 0.00 N ATOM 262 CA ASN A 19 0.172 10.936 3.852 1.00 0.00 C ATOM 263 C ASN A 19 0.606 11.409 2.470 1.00 0.00 C ATOM 264 O ASN A 19 1.523 10.849 1.869 1.00 0.00 O ATOM 265 CB ASN A 19 1.389 10.837 4.775 1.00 0.00 C ATOM 266 CG ASN A 19 1.953 12.197 5.137 1.00 0.00 C ATOM 267 OD1 ASN A 19 1.277 13.016 5.760 1.00 0.00 O ATOM 268 ND2 ASN A 19 3.197 12.444 4.745 1.00 0.00 N ATOM 0 H ASN A 19 0.105 8.865 3.546 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.529 11.663 4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.108 10.309 5.686 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.163 10.244 4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.630 13.343 4.958 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.720 11.735 4.231 1.00 0.00 H new ATOM 275 N GLU A 20 -0.055 12.448 1.977 1.00 0.00 N ATOM 276 CA GLU A 20 0.263 13.006 0.667 1.00 0.00 C ATOM 277 C GLU A 20 0.891 14.390 0.802 1.00 0.00 C ATOM 278 O GLU A 20 1.324 14.984 -0.186 1.00 0.00 O ATOM 279 CB GLU A 20 -0.995 13.084 -0.202 1.00 0.00 C ATOM 280 CG GLU A 20 -2.238 13.515 0.560 1.00 0.00 C ATOM 281 CD GLU A 20 -3.460 13.630 -0.333 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.298 13.590 -1.571 1.00 0.00 O ATOM 283 OE2 GLU A 20 -4.578 13.760 0.207 1.00 0.00 O ATOM 0 H GLU A 20 -0.815 12.922 2.464 1.00 0.00 H new ATOM 0 HA GLU A 20 0.984 12.345 0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.819 13.784 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.176 12.108 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.440 12.797 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.051 14.476 1.039 1.00 0.00 H new ATOM 290 N ASP A 21 0.938 14.902 2.029 1.00 0.00 N ATOM 291 CA ASP A 21 1.515 16.213 2.290 1.00 0.00 C ATOM 292 C ASP A 21 2.991 16.252 1.914 1.00 0.00 C ATOM 293 O ASP A 21 3.560 17.326 1.714 1.00 0.00 O ATOM 294 CB ASP A 21 1.344 16.585 3.763 1.00 0.00 C ATOM 295 CG ASP A 21 1.748 18.018 4.050 1.00 0.00 C ATOM 296 OD1 ASP A 21 0.911 18.921 3.847 1.00 0.00 O ATOM 297 OD2 ASP A 21 2.901 18.237 4.476 1.00 0.00 O ATOM 0 H ASP A 21 0.582 14.426 2.858 1.00 0.00 H new ATOM 0 HA ASP A 21 0.986 16.939 1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.303 16.439 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.943 15.912 4.376 1.00 0.00 H new ATOM 302 N VAL A 22 3.609 15.081 1.818 1.00 0.00 N ATOM 303 CA VAL A 22 5.013 14.996 1.466 1.00 0.00 C ATOM 304 C VAL A 22 5.184 14.727 -0.026 1.00 0.00 C ATOM 305 O VAL A 22 4.261 14.933 -0.814 1.00 0.00 O ATOM 306 CB VAL A 22 5.736 13.911 2.302 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.639 12.539 1.648 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.189 14.299 2.549 1.00 0.00 C ATOM 0 H VAL A 22 3.157 14.181 1.979 1.00 0.00 H new ATOM 0 HA VAL A 22 5.471 15.958 1.696 1.00 0.00 H new ATOM 0 HB VAL A 22 5.231 13.846 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.158 11.805 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.591 12.255 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.098 12.574 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.678 13.523 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.704 14.408 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.226 15.244 3.092 1.00 0.00 H new ATOM 318 N SER A 23 6.367 14.266 -0.407 1.00 0.00 N ATOM 319 CA SER A 23 6.655 13.969 -1.803 1.00 0.00 C ATOM 320 C SER A 23 7.935 13.141 -1.929 1.00 0.00 C ATOM 321 O SER A 23 9.024 13.629 -1.630 1.00 0.00 O ATOM 322 CB SER A 23 6.791 15.263 -2.604 1.00 0.00 C ATOM 323 OG SER A 23 8.080 15.831 -2.446 1.00 0.00 O ATOM 0 H SER A 23 7.143 14.090 0.231 1.00 0.00 H new ATOM 0 HA SER A 23 5.825 13.388 -2.205 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.606 15.062 -3.659 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.034 15.976 -2.278 1.00 0.00 H new ATOM 0 HG SER A 23 8.586 15.314 -1.785 1.00 0.00 H new ATOM 329 N PRO A 24 7.826 11.874 -2.375 1.00 0.00 N ATOM 330 CA PRO A 24 6.548 11.252 -2.743 1.00 0.00 C ATOM 331 C PRO A 24 5.691 10.917 -1.526 1.00 0.00 C ATOM 332 O PRO A 24 6.212 10.656 -0.442 1.00 0.00 O ATOM 333 CB PRO A 24 6.974 9.973 -3.462 1.00 0.00 C ATOM 334 CG PRO A 24 8.297 9.634 -2.870 1.00 0.00 C ATOM 335 CD PRO A 24 8.958 10.947 -2.553 1.00 0.00 C ATOM 0 HA PRO A 24 5.932 11.916 -3.349 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.252 9.171 -3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.049 10.129 -4.538 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.179 9.030 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.899 9.052 -3.568 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.567 10.881 -1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.616 11.269 -3.360 1.00 0.00 H new ATOM 343 N ALA A 25 4.375 10.916 -1.717 1.00 0.00 N ATOM 344 CA ALA A 25 3.441 10.603 -0.638 1.00 0.00 C ATOM 345 C ALA A 25 3.780 9.254 -0.008 1.00 0.00 C ATOM 346 O ALA A 25 4.625 8.519 -0.519 1.00 0.00 O ATOM 347 CB ALA A 25 2.015 10.593 -1.165 1.00 0.00 C ATOM 0 H ALA A 25 3.930 11.129 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 25 3.528 11.373 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.328 10.359 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.772 11.573 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.922 9.840 -1.947 1.00 0.00 H new ATOM 353 N GLU A 26 3.124 8.932 1.101 1.00 0.00 N ATOM 354 CA GLU A 26 3.372 7.667 1.786 1.00 0.00 C ATOM 355 C GLU A 26 2.179 7.252 2.642 1.00 0.00 C ATOM 356 O GLU A 26 1.476 8.094 3.199 1.00 0.00 O ATOM 357 CB GLU A 26 4.623 7.775 2.661 1.00 0.00 C ATOM 358 CG GLU A 26 5.887 8.092 1.878 1.00 0.00 C ATOM 359 CD GLU A 26 7.133 8.050 2.741 1.00 0.00 C ATOM 360 OE1 GLU A 26 7.350 9.005 3.516 1.00 0.00 O ATOM 361 OE2 GLU A 26 7.890 7.062 2.643 1.00 0.00 O ATOM 0 H GLU A 26 2.421 9.524 1.543 1.00 0.00 H new ATOM 0 HA GLU A 26 3.526 6.903 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.466 8.550 3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.763 6.837 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.992 7.379 1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.794 9.081 1.429 1.00 0.00 H new ATOM 368 N LEU A 27 1.964 5.944 2.748 1.00 0.00 N ATOM 369 CA LEU A 27 0.864 5.404 3.541 1.00 0.00 C ATOM 370 C LEU A 27 1.397 4.749 4.813 1.00 0.00 C ATOM 371 O LEU A 27 2.110 3.748 4.756 1.00 0.00 O ATOM 372 CB LEU A 27 0.066 4.391 2.720 1.00 0.00 C ATOM 373 CG LEU A 27 -1.189 3.848 3.401 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.172 3.322 2.367 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.822 2.758 4.395 1.00 0.00 C ATOM 0 H LEU A 27 2.540 5.236 2.293 1.00 0.00 H new ATOM 0 HA LEU A 27 0.204 6.224 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.224 4.858 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.718 3.553 2.473 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.668 4.662 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.060 2.939 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.457 4.129 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.705 2.520 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.727 2.381 4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.321 1.943 3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.155 3.167 5.154 1.00 0.00 H new ATOM 387 N THR A 28 1.063 5.334 5.958 1.00 0.00 N ATOM 388 CA THR A 28 1.511 4.845 7.238 1.00 0.00 C ATOM 389 C THR A 28 0.575 3.774 7.794 1.00 0.00 C ATOM 390 O THR A 28 -0.636 3.815 7.580 1.00 0.00 O ATOM 391 CB THR A 28 1.580 6.025 8.195 1.00 0.00 C ATOM 392 OG1 THR A 28 1.494 7.251 7.490 1.00 0.00 O ATOM 393 CG2 THR A 28 2.847 6.056 8.999 1.00 0.00 C ATOM 0 H THR A 28 0.472 6.163 6.015 1.00 0.00 H new ATOM 0 HA THR A 28 2.491 4.383 7.120 1.00 0.00 H new ATOM 0 HB THR A 28 0.735 5.899 8.872 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.539 7.997 8.124 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.836 6.921 9.662 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.924 5.145 9.592 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.703 6.125 8.327 1.00 0.00 H new ATOM 401 N TRP A 29 1.151 2.826 8.523 1.00 0.00 N ATOM 402 CA TRP A 29 0.393 1.749 9.133 1.00 0.00 C ATOM 403 C TRP A 29 0.774 1.594 10.597 1.00 0.00 C ATOM 404 O TRP A 29 1.874 1.141 10.915 1.00 0.00 O ATOM 405 CB TRP A 29 0.645 0.427 8.412 1.00 0.00 C ATOM 406 CG TRP A 29 -0.119 -0.710 9.015 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.460 -0.745 9.245 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.404 -1.958 9.485 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.812 -1.949 9.808 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.685 -2.708 9.965 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.683 -2.522 9.540 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.537 -3.984 10.489 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.828 -3.795 10.065 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.720 -4.514 10.532 1.00 0.00 C ATOM 0 H TRP A 29 2.154 2.785 8.706 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.664 2.003 9.054 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.368 0.531 7.363 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.711 0.199 8.439 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.148 0.056 9.018 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.758 -2.230 10.066 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.541 -1.975 9.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.389 -4.540 10.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.811 -4.241 10.115 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.863 -5.506 10.934 1.00 0.00 H new ATOM 425 N ARG A 30 -0.138 1.952 11.483 1.00 0.00 N ATOM 426 CA ARG A 30 0.115 1.828 12.911 1.00 0.00 C ATOM 427 C ARG A 30 -0.629 0.621 13.467 1.00 0.00 C ATOM 428 O ARG A 30 -1.840 0.502 13.294 1.00 0.00 O ATOM 429 CB ARG A 30 -0.315 3.099 13.647 1.00 0.00 C ATOM 430 CG ARG A 30 0.491 4.327 13.261 1.00 0.00 C ATOM 431 CD ARG A 30 0.062 5.548 14.060 1.00 0.00 C ATOM 432 NE ARG A 30 0.666 6.778 13.549 1.00 0.00 N ATOM 433 CZ ARG A 30 1.915 7.155 13.812 1.00 0.00 C ATOM 434 NH1 ARG A 30 2.696 6.403 14.577 1.00 0.00 N ATOM 435 NH2 ARG A 30 2.385 8.287 13.308 1.00 0.00 N ATOM 0 H ARG A 30 -1.055 2.329 11.243 1.00 0.00 H new ATOM 0 HA ARG A 30 1.185 1.688 13.064 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.369 3.288 13.443 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.222 2.936 14.721 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.551 4.135 13.428 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.367 4.525 12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.024 5.638 14.030 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.342 5.414 15.105 1.00 0.00 H new ATOM 0 HE ARG A 30 0.097 7.382 12.956 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.340 5.530 14.967 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.652 6.698 14.775 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.790 8.869 12.719 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.342 8.576 13.509 1.00 0.00 H new ATOM 449 N SER A 31 0.094 -0.278 14.126 1.00 0.00 N ATOM 450 CA SER A 31 -0.515 -1.473 14.687 1.00 0.00 C ATOM 451 C SER A 31 -1.638 -1.108 15.646 1.00 0.00 C ATOM 452 O SER A 31 -1.743 0.035 16.091 1.00 0.00 O ATOM 453 CB SER A 31 0.538 -2.323 15.403 1.00 0.00 C ATOM 454 OG SER A 31 -0.063 -3.213 16.329 1.00 0.00 O ATOM 0 H SER A 31 1.099 -0.200 14.283 1.00 0.00 H new ATOM 0 HA SER A 31 -0.938 -2.055 13.869 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.111 -2.890 14.670 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.241 -1.673 15.924 1.00 0.00 H new ATOM 0 HG SER A 31 0.632 -3.744 16.770 1.00 0.00 H new ATOM 460 N THR A 32 -2.469 -2.089 15.967 1.00 0.00 N ATOM 461 CA THR A 32 -3.575 -1.887 16.876 1.00 0.00 C ATOM 462 C THR A 32 -3.059 -1.408 18.224 1.00 0.00 C ATOM 463 O THR A 32 -3.708 -0.625 18.918 1.00 0.00 O ATOM 464 CB THR A 32 -4.324 -3.207 17.018 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.376 -3.296 16.073 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.914 -3.429 18.384 1.00 0.00 C ATOM 0 H THR A 32 -2.392 -3.039 15.605 1.00 0.00 H new ATOM 0 HA THR A 32 -4.251 -1.125 16.489 1.00 0.00 H new ATOM 0 HB THR A 32 -3.570 -3.975 16.845 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.007 -3.522 15.193 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.430 -4.389 18.406 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.118 -3.428 19.129 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.622 -2.631 18.609 1.00 0.00 H new ATOM 474 N ASP A 33 -1.881 -1.893 18.576 1.00 0.00 N ATOM 475 CA ASP A 33 -1.249 -1.536 19.837 1.00 0.00 C ATOM 476 C ASP A 33 -0.630 -0.148 19.761 1.00 0.00 C ATOM 477 O ASP A 33 -0.666 0.617 20.726 1.00 0.00 O ATOM 478 CB ASP A 33 -0.179 -2.567 20.207 1.00 0.00 C ATOM 479 CG ASP A 33 -0.764 -3.940 20.468 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.993 -4.032 20.676 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.005 -4.924 20.466 1.00 0.00 O ATOM 0 H ASP A 33 -1.339 -2.539 18.003 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.018 -1.529 20.610 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.551 -2.634 19.401 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.356 -2.229 21.094 1.00 0.00 H new ATOM 486 N GLY A 34 -0.060 0.163 18.609 1.00 0.00 N ATOM 487 CA GLY A 34 0.570 1.454 18.413 1.00 0.00 C ATOM 488 C GLY A 34 2.080 1.358 18.423 1.00 0.00 C ATOM 489 O GLY A 34 2.769 2.211 17.866 1.00 0.00 O ATOM 0 H GLY A 34 -0.021 -0.458 17.801 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.240 1.877 17.464 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.245 2.138 19.197 1.00 0.00 H new ATOM 493 N ASP A 35 2.590 0.313 19.063 1.00 0.00 N ATOM 494 CA ASP A 35 4.027 0.099 19.154 1.00 0.00 C ATOM 495 C ASP A 35 4.633 -0.193 17.784 1.00 0.00 C ATOM 496 O ASP A 35 5.833 -0.010 17.576 1.00 0.00 O ATOM 497 CB ASP A 35 4.333 -1.050 20.115 1.00 0.00 C ATOM 498 CG ASP A 35 5.815 -1.180 20.409 1.00 0.00 C ATOM 499 OD1 ASP A 35 6.568 -0.232 20.103 1.00 0.00 O ATOM 500 OD2 ASP A 35 6.224 -2.231 20.947 1.00 0.00 O ATOM 0 H ASP A 35 2.028 -0.400 19.527 1.00 0.00 H new ATOM 0 HA ASP A 35 4.476 1.016 19.536 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.793 -0.893 21.049 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.967 -1.984 19.688 1.00 0.00 H new ATOM 505 N LYS A 36 3.800 -0.643 16.853 1.00 0.00 N ATOM 506 CA LYS A 36 4.264 -0.957 15.506 1.00 0.00 C ATOM 507 C LYS A 36 3.783 0.092 14.510 1.00 0.00 C ATOM 508 O LYS A 36 2.590 0.380 14.421 1.00 0.00 O ATOM 509 CB LYS A 36 3.776 -2.345 15.085 1.00 0.00 C ATOM 510 CG LYS A 36 4.869 -3.401 15.105 1.00 0.00 C ATOM 511 CD LYS A 36 4.357 -4.741 14.606 1.00 0.00 C ATOM 512 CE LYS A 36 5.419 -5.823 14.729 1.00 0.00 C ATOM 513 NZ LYS A 36 6.544 -5.609 13.778 1.00 0.00 N ATOM 0 H LYS A 36 2.803 -0.798 17.005 1.00 0.00 H new ATOM 0 HA LYS A 36 5.354 -0.953 15.512 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.969 -2.655 15.749 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.357 -2.285 14.081 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.703 -3.075 14.484 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.251 -3.511 16.120 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.474 -5.030 15.176 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.048 -4.649 13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.804 -5.839 15.749 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.967 -6.797 14.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.221 -6.395 13.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.174 -5.568 12.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.024 -4.714 14.004 1.00 0.00 H new ATOM 527 N VAL A 37 4.721 0.661 13.762 1.00 0.00 N ATOM 528 CA VAL A 37 4.396 1.678 12.775 1.00 0.00 C ATOM 529 C VAL A 37 5.162 1.448 11.476 1.00 0.00 C ATOM 530 O VAL A 37 6.386 1.571 11.436 1.00 0.00 O ATOM 531 CB VAL A 37 4.713 3.087 13.305 1.00 0.00 C ATOM 532 CG1 VAL A 37 4.250 4.151 12.321 1.00 0.00 C ATOM 533 CG2 VAL A 37 4.074 3.296 14.669 1.00 0.00 C ATOM 0 H VAL A 37 5.713 0.433 13.822 1.00 0.00 H new ATOM 0 HA VAL A 37 3.327 1.603 12.578 1.00 0.00 H new ATOM 0 HB VAL A 37 5.794 3.179 13.415 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.484 5.139 12.717 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.760 4.011 11.368 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.174 4.066 12.173 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.307 4.297 15.031 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.993 3.183 14.586 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.463 2.557 15.370 1.00 0.00 H new ATOM 543 N HIS A 38 4.432 1.114 10.419 1.00 0.00 N ATOM 544 CA HIS A 38 5.041 0.868 9.114 1.00 0.00 C ATOM 545 C HIS A 38 4.674 1.957 8.122 1.00 0.00 C ATOM 546 O HIS A 38 3.553 2.454 8.110 1.00 0.00 O ATOM 547 CB HIS A 38 4.627 -0.490 8.559 1.00 0.00 C ATOM 548 CG HIS A 38 5.184 -0.783 7.199 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.008 -0.149 6.015 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 6.027 -1.843 6.941 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 5.740 -0.832 5.075 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 6.346 -1.848 5.658 1.00 0.00 N flip ATOM 0 H HIS A 38 3.418 1.007 10.438 1.00 0.00 H new ATOM 0 HA HIS A 38 6.121 0.874 9.258 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.951 -1.268 9.250 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.539 -0.537 8.514 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.373 -2.558 7.673 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.808 -0.578 4.027 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.957 -2.523 5.197 1.00 0.00 H new ATOM 561 N THR A 39 5.632 2.315 7.290 1.00 0.00 N ATOM 562 CA THR A 39 5.423 3.343 6.277 1.00 0.00 C ATOM 563 C THR A 39 5.509 2.748 4.876 1.00 0.00 C ATOM 564 O THR A 39 6.431 1.993 4.567 1.00 0.00 O ATOM 565 CB THR A 39 6.451 4.464 6.436 1.00 0.00 C ATOM 566 OG1 THR A 39 6.562 4.855 7.793 1.00 0.00 O ATOM 567 CG2 THR A 39 6.118 5.700 5.627 1.00 0.00 C ATOM 0 H THR A 39 6.568 1.910 7.292 1.00 0.00 H new ATOM 0 HA THR A 39 4.424 3.758 6.415 1.00 0.00 H new ATOM 0 HB THR A 39 7.389 4.050 6.067 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.226 5.572 7.874 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.887 6.456 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.075 5.442 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.152 6.093 5.944 1.00 0.00 H new ATOM 575 N VAL A 40 4.538 3.086 4.035 1.00 0.00 N ATOM 576 CA VAL A 40 4.498 2.579 2.668 1.00 0.00 C ATOM 577 C VAL A 40 4.637 3.708 1.654 1.00 0.00 C ATOM 578 O VAL A 40 4.109 4.803 1.853 1.00 0.00 O ATOM 579 CB VAL A 40 3.186 1.821 2.392 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.232 1.143 1.032 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.914 0.807 3.492 1.00 0.00 C ATOM 0 H VAL A 40 3.767 3.709 4.276 1.00 0.00 H new ATOM 0 HA VAL A 40 5.340 1.895 2.562 1.00 0.00 H new ATOM 0 HB VAL A 40 2.369 2.542 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.295 0.613 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.374 1.895 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.060 0.434 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.983 0.281 3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.734 0.090 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.830 1.322 4.449 1.00 0.00 H new ATOM 591 N VAL A 41 5.344 3.434 0.563 1.00 0.00 N ATOM 592 CA VAL A 41 5.545 4.423 -0.488 1.00 0.00 C ATOM 593 C VAL A 41 4.497 4.264 -1.584 1.00 0.00 C ATOM 594 O VAL A 41 4.359 3.191 -2.170 1.00 0.00 O ATOM 595 CB VAL A 41 6.950 4.309 -1.111 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.229 5.496 -2.019 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.008 4.199 -0.024 1.00 0.00 C ATOM 0 H VAL A 41 5.788 2.533 0.384 1.00 0.00 H new ATOM 0 HA VAL A 41 5.446 5.406 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 41 6.988 3.403 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.225 5.398 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.489 5.524 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.173 6.418 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.994 4.119 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.973 5.086 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.817 3.313 0.582 1.00 0.00 H new ATOM 607 N LEU A 42 3.755 5.334 -1.848 1.00 0.00 N ATOM 608 CA LEU A 42 2.711 5.308 -2.867 1.00 0.00 C ATOM 609 C LEU A 42 3.263 5.663 -4.248 1.00 0.00 C ATOM 610 O LEU A 42 2.585 5.479 -5.259 1.00 0.00 O ATOM 611 CB LEU A 42 1.585 6.273 -2.491 1.00 0.00 C ATOM 612 CG LEU A 42 1.071 6.139 -1.055 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.143 7.030 -0.839 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.733 4.687 -0.739 1.00 0.00 C ATOM 0 H LEU A 42 3.857 6.230 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 42 2.318 4.292 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.936 7.294 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.751 6.119 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 42 1.860 6.462 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.495 6.922 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.131 8.069 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.936 6.738 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.370 4.613 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.039 4.336 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.626 4.073 -0.853 1.00 0.00 H new ATOM 626 N SER A 43 4.494 6.168 -4.290 1.00 0.00 N ATOM 627 CA SER A 43 5.122 6.538 -5.552 1.00 0.00 C ATOM 628 C SER A 43 5.691 5.311 -6.253 1.00 0.00 C ATOM 629 O SER A 43 5.800 5.277 -7.479 1.00 0.00 O ATOM 630 CB SER A 43 6.230 7.565 -5.314 1.00 0.00 C ATOM 631 OG SER A 43 7.059 7.695 -6.456 1.00 0.00 O ATOM 0 H SER A 43 5.073 6.329 -3.466 1.00 0.00 H new ATOM 0 HA SER A 43 4.360 6.981 -6.193 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.788 8.531 -5.070 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.832 7.263 -4.457 1.00 0.00 H new ATOM 0 HG SER A 43 7.758 8.358 -6.279 1.00 0.00 H new ATOM 637 N THR A 44 6.053 4.303 -5.466 1.00 0.00 N ATOM 638 CA THR A 44 6.611 3.074 -6.011 1.00 0.00 C ATOM 639 C THR A 44 5.510 2.091 -6.408 1.00 0.00 C ATOM 640 O THR A 44 5.785 1.040 -6.986 1.00 0.00 O ATOM 641 CB THR A 44 7.551 2.420 -4.995 1.00 0.00 C ATOM 642 OG1 THR A 44 8.195 1.292 -5.561 1.00 0.00 O ATOM 643 CG2 THR A 44 6.846 1.962 -3.736 1.00 0.00 C ATOM 0 H THR A 44 5.969 4.314 -4.449 1.00 0.00 H new ATOM 0 HA THR A 44 7.175 3.334 -6.907 1.00 0.00 H new ATOM 0 HB THR A 44 8.271 3.193 -4.728 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.578 0.834 -6.169 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.569 1.508 -3.059 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.380 2.818 -3.248 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.081 1.230 -3.993 1.00 0.00 H new ATOM 651 N ILE A 45 4.262 2.434 -6.096 1.00 0.00 N ATOM 652 CA ILE A 45 3.130 1.576 -6.424 1.00 0.00 C ATOM 653 C ILE A 45 2.718 1.739 -7.881 1.00 0.00 C ATOM 654 O ILE A 45 2.007 2.679 -8.235 1.00 0.00 O ATOM 655 CB ILE A 45 1.917 1.877 -5.523 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.336 1.894 -4.052 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.816 0.853 -5.755 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.029 0.624 -3.605 1.00 0.00 C ATOM 0 H ILE A 45 4.011 3.299 -5.617 1.00 0.00 H new ATOM 0 HA ILE A 45 3.454 0.549 -6.255 1.00 0.00 H new ATOM 0 HB ILE A 45 1.529 2.862 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.002 2.740 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.453 2.053 -3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.034 1.080 -5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.500 0.888 -6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.191 -0.144 -5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.297 0.707 -2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.358 -0.224 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.931 0.473 -4.198 1.00 0.00 H new ATOM 670 N ASP A 46 3.167 0.814 -8.722 1.00 0.00 N ATOM 671 CA ASP A 46 2.842 0.850 -10.142 1.00 0.00 C ATOM 672 C ASP A 46 1.335 0.752 -10.353 1.00 0.00 C ATOM 673 O ASP A 46 0.803 1.251 -11.345 1.00 0.00 O ATOM 674 CB ASP A 46 3.545 -0.291 -10.877 1.00 0.00 C ATOM 675 CG ASP A 46 3.650 -0.041 -12.370 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.465 1.120 -12.792 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.920 -1.006 -13.116 1.00 0.00 O ATOM 0 H ASP A 46 3.757 0.030 -8.444 1.00 0.00 H new ATOM 0 HA ASP A 46 3.189 1.801 -10.546 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.544 -0.425 -10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.001 -1.220 -10.704 1.00 0.00 H new ATOM 682 N LYS A 47 0.650 0.104 -9.415 1.00 0.00 N ATOM 683 CA LYS A 47 -0.797 -0.061 -9.502 1.00 0.00 C ATOM 684 C LYS A 47 -1.353 -0.666 -8.216 1.00 0.00 C ATOM 685 O LYS A 47 -0.677 -1.443 -7.542 1.00 0.00 O ATOM 686 CB LYS A 47 -1.156 -0.949 -10.696 1.00 0.00 C ATOM 687 CG LYS A 47 -1.823 -0.195 -11.835 1.00 0.00 C ATOM 688 CD LYS A 47 -1.995 -1.078 -13.061 1.00 0.00 C ATOM 689 CE LYS A 47 -2.863 -2.290 -12.758 1.00 0.00 C ATOM 690 NZ LYS A 47 -3.506 -2.835 -13.985 1.00 0.00 N ATOM 0 H LYS A 47 1.073 -0.315 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.245 0.923 -9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.250 -1.426 -11.069 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.820 -1.745 -10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.797 0.171 -11.510 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.224 0.678 -12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.445 -0.499 -13.867 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.018 -1.408 -13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.254 -3.065 -12.293 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.633 -2.014 -12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.088 -3.660 -13.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.108 -2.104 -14.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.772 -3.123 -14.663 1.00 0.00 H new ATOM 704 N LEU A 48 -2.589 -0.308 -7.888 1.00 0.00 N ATOM 705 CA LEU A 48 -3.238 -0.820 -6.687 1.00 0.00 C ATOM 706 C LEU A 48 -4.350 -1.798 -7.048 1.00 0.00 C ATOM 707 O LEU A 48 -5.334 -1.425 -7.688 1.00 0.00 O ATOM 708 CB LEU A 48 -3.803 0.333 -5.852 1.00 0.00 C ATOM 709 CG LEU A 48 -5.001 1.057 -6.471 1.00 0.00 C ATOM 710 CD1 LEU A 48 -6.307 0.468 -5.955 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.930 2.549 -6.176 1.00 0.00 C ATOM 0 H LEU A 48 -3.161 0.334 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.490 -1.349 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.097 -0.055 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.009 1.059 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.968 0.918 -7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.147 0.996 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.359 -0.589 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.351 0.575 -4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.789 3.050 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.938 2.707 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.012 2.960 -6.596 1.00 0.00 H new ATOM 723 N GLN A 49 -4.187 -3.052 -6.639 1.00 0.00 N ATOM 724 CA GLN A 49 -5.176 -4.084 -6.923 1.00 0.00 C ATOM 725 C GLN A 49 -6.002 -4.405 -5.682 1.00 0.00 C ATOM 726 O GLN A 49 -5.552 -4.197 -4.555 1.00 0.00 O ATOM 727 CB GLN A 49 -4.490 -5.350 -7.437 1.00 0.00 C ATOM 728 CG GLN A 49 -3.758 -5.154 -8.754 1.00 0.00 C ATOM 729 CD GLN A 49 -3.016 -6.399 -9.199 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.706 -7.274 -8.391 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.726 -6.484 -10.492 1.00 0.00 N ATOM 0 H GLN A 49 -3.378 -3.378 -6.109 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.847 -3.705 -7.694 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.782 -5.700 -6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.237 -6.134 -7.560 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.474 -4.867 -9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.051 -4.330 -8.654 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.002 -5.735 -11.127 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.227 -7.298 -10.850 1.00 0.00 H new ATOM 740 N ALA A 50 -7.211 -4.914 -5.896 1.00 0.00 N ATOM 741 CA ALA A 50 -8.099 -5.263 -4.794 1.00 0.00 C ATOM 742 C ALA A 50 -8.866 -6.546 -5.091 1.00 0.00 C ATOM 743 O ALA A 50 -9.012 -6.940 -6.248 1.00 0.00 O ATOM 744 CB ALA A 50 -9.064 -4.123 -4.513 1.00 0.00 C ATOM 0 H ALA A 50 -7.598 -5.094 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.487 -5.434 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.721 -4.398 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.502 -3.228 -4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.662 -3.925 -5.402 1.00 0.00 H new ATOM 750 N THR A 51 -9.357 -7.191 -4.039 1.00 0.00 N ATOM 751 CA THR A 51 -10.113 -8.429 -4.188 1.00 0.00 C ATOM 752 C THR A 51 -11.479 -8.159 -4.814 1.00 0.00 C ATOM 753 O THR A 51 -12.035 -7.071 -4.666 1.00 0.00 O ATOM 754 CB THR A 51 -10.289 -9.112 -2.830 1.00 0.00 C ATOM 755 OG1 THR A 51 -11.053 -8.301 -1.956 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.978 -9.421 -2.141 1.00 0.00 C ATOM 0 H THR A 51 -9.245 -6.878 -3.075 1.00 0.00 H new ATOM 0 HA THR A 51 -9.553 -9.090 -4.849 1.00 0.00 H new ATOM 0 HB THR A 51 -10.799 -10.052 -3.044 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.671 -8.864 -1.444 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.175 -9.904 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.385 -10.087 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.428 -8.495 -1.973 1.00 0.00 H new ATOM 764 N PRO A 52 -12.040 -9.152 -5.527 1.00 0.00 N ATOM 765 CA PRO A 52 -13.349 -9.015 -6.177 1.00 0.00 C ATOM 766 C PRO A 52 -14.485 -8.876 -5.171 1.00 0.00 C ATOM 767 O PRO A 52 -14.348 -9.254 -4.007 1.00 0.00 O ATOM 768 CB PRO A 52 -13.493 -10.316 -6.973 1.00 0.00 C ATOM 769 CG PRO A 52 -12.598 -11.288 -6.285 1.00 0.00 C ATOM 770 CD PRO A 52 -11.446 -10.481 -5.753 1.00 0.00 C ATOM 0 HA PRO A 52 -13.404 -8.117 -6.792 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.526 -10.664 -6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.200 -10.177 -8.014 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.123 -11.799 -5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.251 -12.056 -6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.049 -10.906 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.622 -10.438 -6.465 1.00 0.00 H new ATOM 778 N ALA A 53 -15.608 -8.332 -5.627 1.00 0.00 N ATOM 779 CA ALA A 53 -16.773 -8.141 -4.769 1.00 0.00 C ATOM 780 C ALA A 53 -17.434 -9.473 -4.414 1.00 0.00 C ATOM 781 O ALA A 53 -18.306 -9.528 -3.548 1.00 0.00 O ATOM 782 CB ALA A 53 -17.775 -7.215 -5.441 1.00 0.00 C ATOM 0 H ALA A 53 -15.737 -8.015 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.432 -7.683 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.639 -7.081 -4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.308 -6.248 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.097 -7.652 -6.386 1.00 0.00 H new ATOM 788 N SER A 54 -17.016 -10.544 -5.085 1.00 0.00 N ATOM 789 CA SER A 54 -17.575 -11.868 -4.832 1.00 0.00 C ATOM 790 C SER A 54 -16.796 -12.602 -3.741 1.00 0.00 C ATOM 791 O SER A 54 -17.125 -13.734 -3.388 1.00 0.00 O ATOM 792 CB SER A 54 -17.567 -12.696 -6.117 1.00 0.00 C ATOM 793 OG SER A 54 -18.452 -12.151 -7.081 1.00 0.00 O ATOM 0 H SER A 54 -16.294 -10.520 -5.806 1.00 0.00 H new ATOM 0 HA SER A 54 -18.601 -11.737 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.557 -12.730 -6.525 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.856 -13.723 -5.893 1.00 0.00 H new ATOM 0 HG SER A 54 -18.427 -12.698 -7.894 1.00 0.00 H new ATOM 799 N SER A 55 -15.764 -11.951 -3.206 1.00 0.00 N ATOM 800 CA SER A 55 -14.948 -12.544 -2.156 1.00 0.00 C ATOM 801 C SER A 55 -15.237 -11.885 -0.817 1.00 0.00 C ATOM 802 O SER A 55 -14.949 -10.705 -0.617 1.00 0.00 O ATOM 803 CB SER A 55 -13.463 -12.408 -2.495 1.00 0.00 C ATOM 804 OG SER A 55 -12.748 -13.577 -2.132 1.00 0.00 O ATOM 0 H SER A 55 -15.476 -11.013 -3.485 1.00 0.00 H new ATOM 0 HA SER A 55 -15.199 -13.602 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.346 -12.223 -3.563 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.045 -11.546 -1.975 1.00 0.00 H new ATOM 0 HG SER A 55 -11.802 -13.466 -2.360 1.00 0.00 H new ATOM 810 N GLU A 56 -15.801 -12.657 0.105 1.00 0.00 N ATOM 811 CA GLU A 56 -16.120 -12.148 1.432 1.00 0.00 C ATOM 812 C GLU A 56 -14.870 -11.598 2.114 1.00 0.00 C ATOM 813 O GLU A 56 -14.960 -10.816 3.060 1.00 0.00 O ATOM 814 CB GLU A 56 -16.740 -13.252 2.290 1.00 0.00 C ATOM 815 CG GLU A 56 -17.231 -12.766 3.645 1.00 0.00 C ATOM 816 CD GLU A 56 -18.437 -11.856 3.536 1.00 0.00 C ATOM 817 OE1 GLU A 56 -19.169 -11.958 2.529 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.650 -11.040 4.457 1.00 0.00 O ATOM 0 H GLU A 56 -16.046 -13.636 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.841 -11.338 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.575 -13.696 1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.003 -14.040 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.484 -13.626 4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.424 -12.235 4.150 1.00 0.00 H new ATOM 825 N LYS A 57 -13.706 -12.011 1.623 1.00 0.00 N ATOM 826 CA LYS A 57 -12.438 -11.557 2.183 1.00 0.00 C ATOM 827 C LYS A 57 -11.953 -10.296 1.475 1.00 0.00 C ATOM 828 O LYS A 57 -11.463 -10.354 0.348 1.00 0.00 O ATOM 829 CB LYS A 57 -11.382 -12.658 2.069 1.00 0.00 C ATOM 830 CG LYS A 57 -11.713 -13.903 2.875 1.00 0.00 C ATOM 831 CD LYS A 57 -10.582 -14.919 2.820 1.00 0.00 C ATOM 832 CE LYS A 57 -10.960 -16.212 3.525 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.184 -17.373 3.008 1.00 0.00 N ATOM 0 H LYS A 57 -13.614 -12.658 0.840 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.597 -11.324 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.268 -12.934 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.421 -12.265 2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.905 -13.626 3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.628 -14.354 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.331 -15.130 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.690 -14.498 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.785 -16.106 4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.026 -16.400 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.471 -18.235 3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.370 -17.490 1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.168 -17.206 3.157 1.00 0.00 H new ATOM 847 N MET A 58 -12.095 -9.157 2.144 1.00 0.00 N ATOM 848 CA MET A 58 -11.673 -7.880 1.578 1.00 0.00 C ATOM 849 C MET A 58 -10.183 -7.647 1.814 1.00 0.00 C ATOM 850 O MET A 58 -9.739 -7.502 2.952 1.00 0.00 O ATOM 851 CB MET A 58 -12.482 -6.733 2.185 1.00 0.00 C ATOM 852 CG MET A 58 -12.587 -6.795 3.701 1.00 0.00 C ATOM 853 SD MET A 58 -14.256 -7.174 4.270 1.00 0.00 S ATOM 854 CE MET A 58 -13.904 -8.004 5.819 1.00 0.00 C ATOM 0 H MET A 58 -12.499 -9.091 3.078 1.00 0.00 H new ATOM 0 HA MET A 58 -11.854 -7.911 0.504 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.024 -5.786 1.900 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.485 -6.743 1.759 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.899 -7.552 4.078 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.272 -5.840 4.122 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.988 -9.082 5.681 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.893 -7.757 6.142 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.617 -7.678 6.577 1.00 0.00 H new ATOM 864 N MET A 59 -9.418 -7.612 0.728 1.00 0.00 N ATOM 865 CA MET A 59 -7.978 -7.397 0.815 1.00 0.00 C ATOM 866 C MET A 59 -7.478 -6.582 -0.373 1.00 0.00 C ATOM 867 O MET A 59 -8.003 -6.694 -1.480 1.00 0.00 O ATOM 868 CB MET A 59 -7.245 -8.738 0.872 1.00 0.00 C ATOM 869 CG MET A 59 -7.707 -9.636 2.009 1.00 0.00 C ATOM 870 SD MET A 59 -6.703 -11.124 2.170 1.00 0.00 S ATOM 871 CE MET A 59 -7.585 -11.990 3.466 1.00 0.00 C ATOM 0 H MET A 59 -9.771 -7.730 -0.222 1.00 0.00 H new ATOM 0 HA MET A 59 -7.773 -6.839 1.728 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.387 -9.261 -0.074 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.176 -8.554 0.977 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.674 -9.077 2.944 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.746 -9.920 1.843 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.899 -12.223 4.280 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.392 -11.360 3.841 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.002 -12.915 3.067 1.00 0.00 H new ATOM 881 N LEU A 60 -6.457 -5.762 -0.138 1.00 0.00 N ATOM 882 CA LEU A 60 -5.887 -4.931 -1.191 1.00 0.00 C ATOM 883 C LEU A 60 -4.445 -5.337 -1.484 1.00 0.00 C ATOM 884 O LEU A 60 -3.666 -5.599 -0.567 1.00 0.00 O ATOM 885 CB LEU A 60 -5.939 -3.453 -0.790 1.00 0.00 C ATOM 886 CG LEU A 60 -7.305 -2.783 -0.950 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.618 -2.554 -2.420 1.00 0.00 C ATOM 888 CD2 LEU A 60 -8.395 -3.620 -0.294 1.00 0.00 C ATOM 0 H LEU A 60 -6.009 -5.656 0.772 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.479 -5.077 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.628 -3.364 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.211 -2.905 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.272 -1.815 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.593 -2.077 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.855 -1.911 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.630 -3.510 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.358 -3.126 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.429 -4.604 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.179 -3.730 0.769 1.00 0.00 H new ATOM 900 N ARG A 61 -4.098 -5.386 -2.766 1.00 0.00 N ATOM 901 CA ARG A 61 -2.749 -5.761 -3.179 1.00 0.00 C ATOM 902 C ARG A 61 -2.061 -4.609 -3.900 1.00 0.00 C ATOM 903 O ARG A 61 -2.578 -4.078 -4.882 1.00 0.00 O ATOM 904 CB ARG A 61 -2.796 -6.992 -4.086 1.00 0.00 C ATOM 905 CG ARG A 61 -1.421 -7.517 -4.468 1.00 0.00 C ATOM 906 CD ARG A 61 -1.508 -8.895 -5.105 1.00 0.00 C ATOM 907 NE ARG A 61 -2.177 -8.857 -6.404 1.00 0.00 N ATOM 908 CZ ARG A 61 -2.570 -9.942 -7.066 1.00 0.00 C ATOM 909 NH1 ARG A 61 -2.368 -11.150 -6.556 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.172 -9.820 -8.241 1.00 0.00 N ATOM 0 H ARG A 61 -4.731 -5.171 -3.537 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.174 -5.999 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.351 -7.783 -3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.346 -6.744 -4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.945 -6.824 -5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.789 -7.564 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.504 -9.302 -5.226 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.047 -9.569 -4.439 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.353 -7.946 -6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.909 -11.251 -5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.672 -11.978 -7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.334 -8.894 -8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.473 -10.652 -8.749 1.00 0.00 H new ATOM 924 N LEU A 62 -0.888 -4.229 -3.404 1.00 0.00 N ATOM 925 CA LEU A 62 -0.125 -3.140 -3.998 1.00 0.00 C ATOM 926 C LEU A 62 1.015 -3.680 -4.855 1.00 0.00 C ATOM 927 O LEU A 62 1.760 -4.563 -4.432 1.00 0.00 O ATOM 928 CB LEU A 62 0.426 -2.219 -2.906 1.00 0.00 C ATOM 929 CG LEU A 62 -0.249 -0.850 -2.819 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.753 -1.006 -2.656 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.334 -0.041 -1.670 1.00 0.00 C ATOM 0 H LEU A 62 -0.446 -4.660 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.794 -2.566 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.325 -2.720 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.492 -2.072 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.060 -0.312 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.217 -0.021 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.158 -1.546 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.964 -1.563 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.158 0.931 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.175 -0.574 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.403 0.101 -1.830 1.00 0.00 H new ATOM 943 N ILE A 63 1.141 -3.142 -6.062 1.00 0.00 N ATOM 944 CA ILE A 63 2.187 -3.567 -6.985 1.00 0.00 C ATOM 945 C ILE A 63 3.313 -2.541 -7.050 1.00 0.00 C ATOM 946 O ILE A 63 3.082 -1.369 -7.349 1.00 0.00 O ATOM 947 CB ILE A 63 1.632 -3.784 -8.405 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.343 -4.609 -8.355 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.671 -4.466 -9.281 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.540 -6.008 -7.817 1.00 0.00 C ATOM 0 H ILE A 63 0.531 -2.410 -6.425 1.00 0.00 H new ATOM 0 HA ILE A 63 2.576 -4.511 -6.604 1.00 0.00 H new ATOM 0 HB ILE A 63 1.400 -2.812 -8.840 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.387 -4.090 -7.734 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.078 -4.671 -9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.264 -4.613 -10.281 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.563 -3.842 -9.340 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.932 -5.433 -8.850 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.415 -6.533 -7.811 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.246 -6.545 -8.451 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.932 -5.955 -6.801 1.00 0.00 H new ATOM 962 N GLY A 64 4.533 -2.989 -6.773 1.00 0.00 N ATOM 963 CA GLY A 64 5.677 -2.096 -6.809 1.00 0.00 C ATOM 964 C GLY A 64 6.303 -2.014 -8.188 1.00 0.00 C ATOM 965 O GLY A 64 6.682 -3.033 -8.767 1.00 0.00 O ATOM 0 H GLY A 64 4.750 -3.954 -6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.367 -1.100 -6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.424 -2.438 -6.093 1.00 0.00 H new ATOM 1311 N ARG A 86 6.074 -6.028 -3.803 1.00 0.00 N ATOM 1312 CA ARG A 86 4.662 -6.357 -3.643 1.00 0.00 C ATOM 1313 C ARG A 86 4.240 -6.260 -2.181 1.00 0.00 C ATOM 1314 O ARG A 86 4.939 -6.740 -1.288 1.00 0.00 O ATOM 1315 CB ARG A 86 4.381 -7.764 -4.173 1.00 0.00 C ATOM 1316 CG ARG A 86 4.597 -7.904 -5.671 1.00 0.00 C ATOM 1317 CD ARG A 86 4.163 -9.272 -6.171 1.00 0.00 C ATOM 1318 NE ARG A 86 4.869 -10.353 -5.487 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.781 -11.635 -5.837 1.00 0.00 C ATOM 1320 NH1 ARG A 86 4.021 -11.999 -6.863 1.00 0.00 N ATOM 1321 NH2 ARG A 86 5.457 -12.554 -5.161 1.00 0.00 N ATOM 0 HA ARG A 86 4.081 -5.636 -4.218 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.024 -8.474 -3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.352 -8.034 -3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.036 -7.130 -6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.650 -7.748 -5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.090 -9.389 -6.022 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.346 -9.341 -7.243 1.00 0.00 H new ATOM 0 HE ARG A 86 5.464 -10.112 -4.695 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.501 -11.295 -7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.957 -12.982 -7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.044 -12.279 -4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.390 -13.536 -5.429 1.00 0.00 H new ATOM 1335 N HIS A 87 3.093 -5.635 -1.944 1.00 0.00 N ATOM 1336 CA HIS A 87 2.573 -5.473 -0.592 1.00 0.00 C ATOM 1337 C HIS A 87 1.130 -5.961 -0.505 1.00 0.00 C ATOM 1338 O HIS A 87 0.225 -5.361 -1.084 1.00 0.00 O ATOM 1339 CB HIS A 87 2.653 -4.006 -0.164 1.00 0.00 C ATOM 1340 CG HIS A 87 4.030 -3.572 0.233 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.396 -3.330 1.540 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.134 -3.335 -0.515 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.664 -2.964 1.580 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.135 -2.960 0.346 1.00 0.00 N ATOM 0 H HIS A 87 2.504 -5.231 -2.672 1.00 0.00 H new ATOM 0 HA HIS A 87 3.184 -6.074 0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.305 -3.377 -0.984 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.974 -3.843 0.673 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.212 -3.424 -1.588 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.221 -2.711 2.470 1.00 0.00 H new ATOM 0 HE2 HIS A 87 7.088 -2.717 0.076 1.00 0.00 H new ATOM 1353 N MET A 88 0.924 -7.054 0.222 1.00 0.00 N ATOM 1354 CA MET A 88 -0.409 -7.621 0.384 1.00 0.00 C ATOM 1355 C MET A 88 -1.012 -7.217 1.726 1.00 0.00 C ATOM 1356 O MET A 88 -0.460 -7.523 2.783 1.00 0.00 O ATOM 1357 CB MET A 88 -0.354 -9.145 0.274 1.00 0.00 C ATOM 1358 CG MET A 88 -1.725 -9.804 0.251 1.00 0.00 C ATOM 1359 SD MET A 88 -1.632 -11.603 0.318 1.00 0.00 S ATOM 1360 CE MET A 88 -0.785 -11.956 -1.220 1.00 0.00 C ATOM 0 H MET A 88 1.662 -7.564 0.708 1.00 0.00 H new ATOM 0 HA MET A 88 -1.043 -7.229 -0.411 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.185 -9.416 -0.634 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.216 -9.541 1.114 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.312 -9.443 1.096 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.252 -9.505 -0.655 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.885 -13.015 -1.456 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.224 -11.363 -2.022 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.271 -11.705 -1.120 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.146 -6.527 1.675 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.822 -6.079 2.887 1.00 0.00 C ATOM 1372 C PHE A 89 -4.136 -6.824 3.088 1.00 0.00 C ATOM 1373 O PHE A 89 -4.733 -7.321 2.135 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.086 -4.574 2.820 1.00 0.00 C ATOM 1375 CG PHE A 89 -1.843 -3.744 2.951 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.286 -3.504 4.196 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.234 -3.203 1.831 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.140 -2.739 4.321 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.089 -2.439 1.950 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.458 -2.205 3.197 1.00 0.00 C ATOM 0 H PHE A 89 -2.616 -6.266 0.808 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.171 -6.293 3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.572 -4.340 1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.782 -4.299 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.751 -3.918 5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.659 -3.380 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.286 -2.560 5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.378 -2.025 1.069 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.351 -1.606 3.292 1.00 0.00 H new ATOM 1390 N SER A 90 -4.582 -6.891 4.339 1.00 0.00 N ATOM 1391 CA SER A 90 -5.831 -7.570 4.672 1.00 0.00 C ATOM 1392 C SER A 90 -6.777 -6.620 5.397 1.00 0.00 C ATOM 1393 O SER A 90 -6.445 -6.089 6.455 1.00 0.00 O ATOM 1394 CB SER A 90 -5.555 -8.802 5.536 1.00 0.00 C ATOM 1395 OG SER A 90 -4.170 -9.100 5.581 1.00 0.00 O ATOM 0 H SER A 90 -4.098 -6.484 5.139 1.00 0.00 H new ATOM 0 HA SER A 90 -6.305 -7.893 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.925 -8.630 6.547 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.100 -9.658 5.138 1.00 0.00 H new ATOM 0 HG SER A 90 -4.024 -9.891 6.141 1.00 0.00 H new ATOM 1401 N PHE A 91 -7.952 -6.404 4.818 1.00 0.00 N ATOM 1402 CA PHE A 91 -8.937 -5.509 5.406 1.00 0.00 C ATOM 1403 C PHE A 91 -9.981 -6.271 6.205 1.00 0.00 C ATOM 1404 O PHE A 91 -10.493 -7.298 5.763 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.623 -4.693 4.314 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.856 -3.471 3.920 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.844 -3.548 2.979 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.143 -2.246 4.497 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.130 -2.424 2.617 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.433 -1.115 4.139 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.425 -1.204 3.198 1.00 0.00 C ATOM 0 H PHE A 91 -8.244 -6.837 3.942 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.410 -4.841 6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.767 -5.322 3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.613 -4.396 4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.610 -4.499 2.523 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.929 -2.173 5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.342 -2.497 1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.666 -0.164 4.594 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.868 -0.322 2.917 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.304 -5.744 7.379 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.304 -6.355 8.238 1.00 0.00 C ATOM 1423 C ASN A 92 -12.658 -5.674 8.050 1.00 0.00 C ATOM 1424 O ASN A 92 -13.589 -5.901 8.821 1.00 0.00 O ATOM 1425 CB ASN A 92 -10.872 -6.270 9.704 1.00 0.00 C ATOM 1426 CG ASN A 92 -10.771 -4.840 10.197 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -10.780 -3.897 9.407 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -10.677 -4.673 11.511 1.00 0.00 N ATOM 0 H ASN A 92 -9.886 -4.894 7.757 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.400 -7.405 7.961 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -11.586 -6.814 10.322 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.907 -6.761 9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.609 -3.733 11.902 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.673 -5.484 12.129 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.761 -4.833 7.018 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.001 -4.124 6.738 1.00 0.00 C ATOM 1437 C ASN A 93 -14.093 -3.737 5.267 1.00 0.00 C ATOM 1438 O ASN A 93 -13.278 -2.964 4.763 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.111 -2.878 7.618 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.457 -2.195 7.484 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.552 -1.084 6.961 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.507 -2.854 7.961 1.00 0.00 N ATOM 0 H ASN A 93 -12.001 -4.630 6.368 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.830 -4.794 6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.950 -3.156 8.659 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.322 -2.176 7.350 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.438 -2.441 7.902 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.382 -3.773 8.386 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.097 -4.279 4.583 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.303 -3.989 3.169 1.00 0.00 C ATOM 1451 C ARG A 94 -15.552 -2.502 2.950 1.00 0.00 C ATOM 1452 O ARG A 94 -15.231 -1.959 1.895 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.478 -4.804 2.624 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.474 -4.940 1.110 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.472 -3.996 0.460 1.00 0.00 C ATOM 1456 NE ARG A 94 -18.812 -4.140 1.027 1.00 0.00 N ATOM 1457 CZ ARG A 94 -19.862 -3.418 0.640 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.732 -2.502 -0.311 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -21.044 -3.614 1.207 1.00 0.00 N ATOM 0 H ARG A 94 -15.780 -4.921 4.986 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.398 -4.269 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.457 -5.798 3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.411 -4.334 2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.474 -4.732 0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.713 -5.968 0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.134 -2.968 0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.509 -4.190 -0.612 1.00 0.00 H new ATOM 0 HE ARG A 94 -18.951 -4.834 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.824 -2.348 -0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.540 -1.952 -0.603 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.148 -4.317 1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -21.849 -3.062 0.912 1.00 0.00 H new ATOM 1473 N THR A 95 -16.123 -1.847 3.954 1.00 0.00 N ATOM 1474 CA THR A 95 -16.405 -0.428 3.870 1.00 0.00 C ATOM 1475 C THR A 95 -15.114 0.369 3.980 1.00 0.00 C ATOM 1476 O THR A 95 -14.853 1.274 3.188 1.00 0.00 O ATOM 1477 CB THR A 95 -17.398 -0.030 4.969 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.710 0.069 4.445 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.077 1.285 5.642 1.00 0.00 C ATOM 0 H THR A 95 -16.398 -2.281 4.835 1.00 0.00 H new ATOM 0 HA THR A 95 -16.857 -0.205 2.904 1.00 0.00 H new ATOM 0 HB THR A 95 -17.321 -0.821 5.715 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.330 0.322 5.161 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.825 1.495 6.406 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.092 1.226 6.105 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.082 2.084 4.900 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.311 0.008 4.964 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.034 0.669 5.188 1.00 0.00 C ATOM 1489 C VAL A 96 -12.074 0.380 4.043 1.00 0.00 C ATOM 1490 O VAL A 96 -11.227 1.207 3.704 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.388 0.227 6.518 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.065 0.948 6.741 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.339 0.473 7.683 1.00 0.00 C ATOM 0 H VAL A 96 -14.519 -0.741 5.624 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.232 1.740 5.239 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.186 -0.843 6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.627 0.621 7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.382 0.716 5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.238 2.024 6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.866 0.155 8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.576 1.535 7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.256 -0.095 7.530 1.00 0.00 H new ATOM 1503 N MET A 97 -12.219 -0.796 3.449 1.00 0.00 N ATOM 1504 CA MET A 97 -11.368 -1.193 2.335 1.00 0.00 C ATOM 1505 C MET A 97 -11.750 -0.431 1.067 1.00 0.00 C ATOM 1506 O MET A 97 -10.895 -0.122 0.237 1.00 0.00 O ATOM 1507 CB MET A 97 -11.451 -2.710 2.109 1.00 0.00 C ATOM 1508 CG MET A 97 -12.485 -3.142 1.079 1.00 0.00 C ATOM 1509 SD MET A 97 -11.791 -3.297 -0.578 1.00 0.00 S ATOM 1510 CE MET A 97 -12.144 -5.017 -0.934 1.00 0.00 C ATOM 0 H MET A 97 -12.916 -1.491 3.718 1.00 0.00 H new ATOM 0 HA MET A 97 -10.336 -0.942 2.582 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.472 -3.071 1.795 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.680 -3.194 3.059 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.915 -4.098 1.380 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.299 -2.418 1.061 1.00 0.00 H new ATOM 0 HE1 MET A 97 -12.023 -5.200 -2.002 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.456 -5.653 -0.377 1.00 0.00 H new ATOM 0 HE3 MET A 97 -13.168 -5.247 -0.640 1.00 0.00 H new ATOM 1520 N ASP A 98 -13.038 -0.131 0.928 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.527 0.596 -0.233 1.00 0.00 C ATOM 1522 C ASP A 98 -13.134 2.065 -0.158 1.00 0.00 C ATOM 1523 O ASP A 98 -12.946 2.723 -1.182 1.00 0.00 O ATOM 1524 CB ASP A 98 -15.048 0.465 -0.344 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.576 0.968 -1.672 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.770 1.123 -2.613 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.799 1.207 -1.773 1.00 0.00 O ATOM 0 H ASP A 98 -13.759 -0.381 1.605 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.069 0.161 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.330 -0.580 -0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.518 1.023 0.466 1.00 0.00 H new ATOM 1532 N ASN A 99 -13.007 2.568 1.061 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.633 3.958 1.282 1.00 0.00 C ATOM 1534 C ASN A 99 -11.162 4.183 0.958 1.00 0.00 C ATOM 1535 O ASN A 99 -10.762 5.269 0.544 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.920 4.365 2.727 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.376 4.725 2.949 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -14.695 5.838 3.366 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -15.268 3.781 2.671 1.00 0.00 N ATOM 0 H ASN A 99 -13.158 2.032 1.916 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.232 4.579 0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.645 3.547 3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.294 5.217 2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -16.263 3.965 2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.958 2.872 2.327 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.366 3.141 1.151 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.933 3.208 0.885 1.00 0.00 C ATOM 1548 C ILE A 100 -8.636 2.902 -0.581 1.00 0.00 C ATOM 1549 O ILE A 100 -7.815 3.570 -1.211 1.00 0.00 O ATOM 1550 CB ILE A 100 -8.155 2.218 1.776 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.410 2.517 3.255 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.666 2.275 1.465 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.803 3.820 3.727 1.00 0.00 C ATOM 0 H ILE A 100 -10.688 2.235 1.492 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.609 4.223 1.114 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.509 1.209 1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.485 2.543 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.008 1.701 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.134 1.570 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.502 2.013 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.294 3.283 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.026 3.963 4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.723 3.791 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.223 4.646 3.153 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.303 1.887 -1.115 1.00 0.00 N ATOM 1566 CA LYS A 101 -9.107 1.490 -2.504 1.00 0.00 C ATOM 1567 C LYS A 101 -9.397 2.646 -3.456 1.00 0.00 C ATOM 1568 O LYS A 101 -8.698 2.831 -4.452 1.00 0.00 O ATOM 1569 CB LYS A 101 -10.002 0.296 -2.846 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.828 -0.203 -4.271 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.528 -1.535 -4.482 1.00 0.00 C ATOM 1572 CE LYS A 101 -12.029 -1.360 -4.640 1.00 0.00 C ATOM 1573 NZ LYS A 101 -12.364 -0.265 -5.591 1.00 0.00 N ATOM 0 H LYS A 101 -9.985 1.323 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.063 1.203 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.787 -0.519 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.044 0.577 -2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.228 0.534 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.766 -0.309 -4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.123 -2.023 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.325 -2.191 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.468 -2.293 -4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.474 -1.145 -3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.333 -0.397 -5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.296 0.651 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.698 -0.283 -6.389 1.00 0.00 H new ATOM 1587 N MET A 102 -10.436 3.417 -3.149 1.00 0.00 N ATOM 1588 CA MET A 102 -10.817 4.548 -3.988 1.00 0.00 C ATOM 1589 C MET A 102 -9.897 5.738 -3.766 1.00 0.00 C ATOM 1590 O MET A 102 -9.516 6.427 -4.712 1.00 0.00 O ATOM 1591 CB MET A 102 -12.268 4.950 -3.714 1.00 0.00 C ATOM 1592 CG MET A 102 -13.281 3.896 -4.132 1.00 0.00 C ATOM 1593 SD MET A 102 -14.985 4.454 -3.936 1.00 0.00 S ATOM 1594 CE MET A 102 -15.881 2.954 -4.330 1.00 0.00 C ATOM 0 H MET A 102 -11.027 3.280 -2.329 1.00 0.00 H new ATOM 0 HA MET A 102 -10.722 4.236 -5.028 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.385 5.153 -2.649 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.485 5.879 -4.241 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.109 3.625 -5.174 1.00 0.00 H new ATOM 0 HG3 MET A 102 -13.127 2.995 -3.539 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.461 3.105 -5.241 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.175 2.137 -4.480 1.00 0.00 H new ATOM 0 HE3 MET A 102 -16.554 2.706 -3.509 1.00 0.00 H new ATOM 1604 N THR A 103 -9.545 5.973 -2.514 1.00 0.00 N ATOM 1605 CA THR A 103 -8.669 7.081 -2.168 1.00 0.00 C ATOM 1606 C THR A 103 -7.250 6.819 -2.663 1.00 0.00 C ATOM 1607 O THR A 103 -6.522 7.748 -3.014 1.00 0.00 O ATOM 1608 CB THR A 103 -8.685 7.329 -0.653 1.00 0.00 C ATOM 1609 OG1 THR A 103 -8.371 8.680 -0.365 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.717 6.461 0.126 1.00 0.00 C ATOM 0 H THR A 103 -9.852 5.412 -1.719 1.00 0.00 H new ATOM 0 HA THR A 103 -9.038 7.980 -2.662 1.00 0.00 H new ATOM 0 HB THR A 103 -9.697 7.074 -0.340 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.387 8.820 0.605 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.790 6.697 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.964 5.411 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.700 6.650 -0.219 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.867 5.548 -2.697 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.543 5.165 -3.161 1.00 0.00 C ATOM 1620 C LEU A 104 -5.435 5.346 -4.669 1.00 0.00 C ATOM 1621 O LEU A 104 -4.376 5.703 -5.187 1.00 0.00 O ATOM 1622 CB LEU A 104 -5.242 3.712 -2.785 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.831 3.490 -1.328 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.545 2.018 -1.074 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.616 4.338 -0.983 1.00 0.00 C ATOM 0 H LEU A 104 -7.456 4.767 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.811 5.811 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.126 3.109 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.445 3.343 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.657 3.795 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.254 1.878 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.440 1.432 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.735 1.687 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.337 4.168 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.784 4.063 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.855 5.392 -1.127 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.538 5.104 -5.370 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.561 5.249 -6.819 1.00 0.00 C ATOM 1639 C GLN A 105 -6.382 6.706 -7.215 1.00 0.00 C ATOM 1640 O GLN A 105 -5.807 7.011 -8.259 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.871 4.704 -7.394 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.910 3.188 -7.491 1.00 0.00 C ATOM 1643 CD GLN A 105 -9.188 2.678 -8.127 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -10.326 3.161 -7.641 1.00 0.00 O flip ATOM 1645 NE2 GLN A 105 -9.154 1.860 -9.046 1.00 0.00 N flip ATOM 0 H GLN A 105 -7.423 4.808 -4.959 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.733 4.672 -7.231 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.699 5.041 -6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.026 5.127 -8.386 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.056 2.843 -8.073 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.809 2.761 -6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.257 1.515 -9.389 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.022 1.527 -9.465 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.871 7.601 -6.369 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.758 9.029 -6.627 1.00 0.00 C ATOM 1656 C GLN A 106 -5.299 9.456 -6.605 1.00 0.00 C ATOM 1657 O GLN A 106 -4.855 10.227 -7.457 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.558 9.826 -5.596 1.00 0.00 C ATOM 1659 CG GLN A 106 -9.055 9.576 -5.663 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.822 10.339 -4.599 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.245 10.810 -3.620 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -11.130 10.463 -4.787 1.00 0.00 N ATOM 0 H GLN A 106 -7.349 7.364 -5.500 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.168 9.233 -7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.200 9.575 -4.598 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.369 10.889 -5.744 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.424 9.863 -6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.247 8.509 -5.549 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.567 10.056 -5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.698 10.965 -4.105 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.547 8.938 -5.639 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.132 9.257 -5.528 1.00 0.00 C ATOM 1673 C ILE A 107 -2.416 8.892 -6.824 1.00 0.00 C ATOM 1674 O ILE A 107 -1.602 9.659 -7.339 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.480 8.512 -4.348 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.132 8.941 -3.031 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.982 8.766 -4.315 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.814 8.022 -1.873 1.00 0.00 C ATOM 0 H ILE A 107 -4.894 8.298 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 107 -3.041 10.328 -5.346 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.637 7.442 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.804 9.951 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.213 8.982 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.541 8.231 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.533 8.415 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.796 9.834 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.309 8.387 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.167 7.016 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.736 8.000 -1.711 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.749 7.720 -7.354 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.168 7.244 -8.606 1.00 0.00 C ATOM 1692 C ILE A 108 -2.318 8.296 -9.684 1.00 0.00 C ATOM 1693 O ILE A 108 -1.357 8.690 -10.344 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.862 5.961 -9.101 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -3.115 4.990 -7.948 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -2.038 5.306 -10.193 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.921 4.790 -7.041 1.00 0.00 C ATOM 0 H ILE A 108 -3.422 7.079 -6.934 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.116 7.035 -8.411 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.831 6.235 -9.517 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.952 5.357 -7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.413 4.025 -8.358 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.540 4.400 -10.534 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.928 5.996 -11.029 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.053 5.050 -9.802 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.180 4.088 -6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.087 4.393 -7.620 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.635 5.745 -6.601 1.00 0.00 H new ATOM 1709 N SER A 109 -3.550 8.734 -9.845 1.00 0.00 N ATOM 1710 CA SER A 109 -3.889 9.747 -10.838 1.00 0.00 C ATOM 1711 C SER A 109 -3.075 11.017 -10.623 1.00 0.00 C ATOM 1712 O SER A 109 -2.820 11.769 -11.563 1.00 0.00 O ATOM 1713 CB SER A 109 -5.384 10.069 -10.780 1.00 0.00 C ATOM 1714 OG SER A 109 -5.766 10.909 -11.855 1.00 0.00 O ATOM 0 H SER A 109 -4.344 8.403 -9.297 1.00 0.00 H new ATOM 0 HA SER A 109 -3.648 9.347 -11.823 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.960 9.144 -10.814 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.618 10.555 -9.833 1.00 0.00 H new ATOM 0 HG SER A 109 -6.726 11.099 -11.797 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.670 11.245 -9.382 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.884 12.420 -9.039 1.00 0.00 C ATOM 1722 C ARG A 110 -0.453 12.275 -9.542 1.00 0.00 C ATOM 1723 O ARG A 110 0.186 13.255 -9.925 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.920 12.655 -7.520 1.00 0.00 C ATOM 1725 CG ARG A 110 -0.551 12.760 -6.864 1.00 0.00 C ATOM 1726 CD ARG A 110 -0.666 12.986 -5.365 1.00 0.00 C ATOM 1727 NE ARG A 110 -1.412 14.203 -5.051 1.00 0.00 N ATOM 1728 CZ ARG A 110 -0.891 15.426 -5.111 1.00 0.00 C ATOM 1729 NH1 ARG A 110 0.373 15.601 -5.474 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -1.639 16.479 -4.809 1.00 0.00 N ATOM 0 H ARG A 110 -2.874 10.630 -8.594 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.320 13.291 -9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.476 13.571 -7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.471 11.839 -7.052 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.015 11.848 -7.053 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.007 13.580 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.160 12.129 -4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.332 13.050 -4.930 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.388 14.110 -4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.952 14.795 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.766 16.541 -5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.612 16.351 -4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.241 17.417 -4.854 1.00 0.00 H new ATOM 1744 N TYR A 111 0.039 11.046 -9.543 1.00 0.00 N ATOM 1745 CA TYR A 111 1.392 10.767 -10.006 1.00 0.00 C ATOM 1746 C TYR A 111 1.485 10.923 -11.518 1.00 0.00 C ATOM 1747 O TYR A 111 2.540 11.260 -12.057 1.00 0.00 O ATOM 1748 CB TYR A 111 1.821 9.357 -9.593 1.00 0.00 C ATOM 1749 CG TYR A 111 2.332 9.276 -8.173 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.619 9.688 -7.854 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.528 8.787 -7.152 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.091 9.615 -6.559 1.00 0.00 C ATOM 1753 CE2 TYR A 111 1.992 8.712 -5.853 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.274 9.127 -5.561 1.00 0.00 C ATOM 1755 OH TYR A 111 3.740 9.054 -4.268 1.00 0.00 O ATOM 0 H TYR A 111 -0.478 10.225 -9.229 1.00 0.00 H new ATOM 0 HA TYR A 111 2.066 11.487 -9.541 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.974 8.680 -9.705 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.600 9.009 -10.272 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.262 10.072 -8.632 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.524 8.460 -7.377 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.095 9.938 -6.328 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.354 8.330 -5.070 1.00 0.00 H new ATOM 0 HH TYR A 111 2.986 8.922 -3.656 1.00 0.00 H new ATOM 1765 N LYS A 112 0.370 10.683 -12.193 1.00 0.00 N ATOM 1766 CA LYS A 112 0.310 10.801 -13.642 1.00 0.00 C ATOM 1767 C LYS A 112 0.399 12.262 -14.069 1.00 0.00 C ATOM 1768 O LYS A 112 1.057 12.593 -15.056 1.00 0.00 O ATOM 1769 CB LYS A 112 -0.983 10.180 -14.173 1.00 0.00 C ATOM 1770 CG LYS A 112 -1.059 8.675 -13.981 1.00 0.00 C ATOM 1771 CD LYS A 112 -2.286 8.088 -14.663 1.00 0.00 C ATOM 1772 CE LYS A 112 -3.348 7.689 -13.652 1.00 0.00 C ATOM 1773 NZ LYS A 112 -4.041 6.430 -14.041 1.00 0.00 N ATOM 0 H LYS A 112 -0.509 10.404 -11.757 1.00 0.00 H new ATOM 0 HA LYS A 112 1.160 10.264 -14.062 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.832 10.645 -13.672 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.076 10.407 -15.235 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.160 8.210 -14.384 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.088 8.444 -12.916 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.701 8.817 -15.359 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -1.995 7.217 -15.250 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.887 7.562 -12.673 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -4.079 8.492 -13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -4.757 6.193 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.503 6.559 -14.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -3.347 5.658 -14.106 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.268 13.133 -13.316 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.265 14.560 -13.615 1.00 0.00 C ATOM 1789 C ASP A 113 1.154 15.119 -13.589 1.00 0.00 C ATOM 1790 O ASP A 113 1.508 15.980 -14.396 1.00 0.00 O ATOM 1791 CB ASP A 113 -1.141 15.313 -12.613 1.00 0.00 C ATOM 1792 CG ASP A 113 -1.325 16.771 -12.988 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -2.219 17.065 -13.809 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -0.575 17.619 -12.460 1.00 0.00 O ATOM 0 H ASP A 113 -0.816 12.875 -12.496 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.671 14.697 -14.617 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.116 14.830 -12.552 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.692 15.249 -11.622 1.00 0.00 H new ATOM 1799 N ALA A 114 1.962 14.626 -12.657 1.00 0.00 N ATOM 1800 CA ALA A 114 3.342 15.076 -12.526 1.00 0.00 C ATOM 1801 C ALA A 114 4.139 14.780 -13.792 1.00 0.00 C ATOM 1802 O ALA A 114 5.043 15.531 -14.157 1.00 0.00 O ATOM 1803 CB ALA A 114 3.999 14.420 -11.321 1.00 0.00 C ATOM 0 H ALA A 114 1.685 13.914 -11.981 1.00 0.00 H new ATOM 0 HA ALA A 114 3.333 16.156 -12.378 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.029 14.765 -11.235 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.451 14.687 -10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.988 13.337 -11.445 1.00 0.00 H new ATOM 1809 N ASP A 115 3.797 13.681 -14.456 1.00 0.00 N ATOM 1810 CA ASP A 115 4.481 13.284 -15.682 1.00 0.00 C ATOM 1811 C ASP A 115 3.494 13.160 -16.839 1.00 0.00 C ATOM 1812 O ASP A 115 3.796 12.415 -17.795 1.00 0.00 O ATOM 1813 CB ASP A 115 5.213 11.958 -15.476 1.00 0.00 C ATOM 1814 CG ASP A 115 6.347 12.072 -14.476 1.00 0.00 C ATOM 1815 OD1 ASP A 115 6.782 13.210 -14.199 1.00 0.00 O ATOM 1816 OD2 ASP A 115 6.801 11.024 -13.969 1.00 0.00 O ATOM 1817 OXT ASP A 115 2.427 13.807 -16.778 1.00 0.00 O ATOM 0 H ASP A 115 3.050 13.049 -14.166 1.00 0.00 H new ATOM 0 HA ASP A 115 5.208 14.057 -15.930 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.504 11.205 -15.133 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.608 11.612 -16.431 1.00 0.00 H new