USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 710 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -168:sc=-0.000818 (180deg=-0.104) USER MOD Single : A 14 ASN : amide:sc= -2.88! C(o=-2.9!,f=-2.7!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.676 F(o=-2.1!,f=-0.68) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 98:sc= 1.02 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -3.98! C(o=-4.9!,f=-4!) USER MOD Single : A 30 ASN : amide:sc= -4.08 X(o=-4.1,f=-4.4!) USER MOD Single : A 31 HIS : no HE2:sc= -4.2! C(o=-4.2!,f=-6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 151:sc= -0.109 (180deg=-1.76) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.58 F(o=-1.2,f=-0.58) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.669 K(o=-0.67,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS :FLIP no HE2:sc= -7.48! C(o=-8.9!,f=-7.5!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.1!) USER MOD Single : A 64 GLN : amide:sc= 0.0381 X(o=0.038,f=0.016) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -2.38! F(o=-3.2,f=-2.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -48:sc= 0.0266 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0511 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.833 -6.131 -6.733 1.00 0.00 N ATOM 60 CA GLY A 7 -12.002 -7.314 -6.582 1.00 0.00 C ATOM 61 C GLY A 7 -10.692 -6.976 -5.867 1.00 0.00 C ATOM 62 O GLY A 7 -10.635 -6.970 -4.638 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.543 -8.073 -6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.786 -7.739 -7.562 1.00 0.00 H new ATOM 66 N PRO A 8 -9.645 -6.695 -6.688 1.00 0.00 N ATOM 67 CA PRO A 8 -8.339 -6.356 -6.147 1.00 0.00 C ATOM 68 C PRO A 8 -8.329 -4.931 -5.590 1.00 0.00 C ATOM 69 O PRO A 8 -9.020 -4.054 -6.106 1.00 0.00 O ATOM 70 CB PRO A 8 -7.372 -6.549 -7.304 1.00 0.00 C ATOM 71 CG PRO A 8 -8.222 -6.536 -8.564 1.00 0.00 C ATOM 72 CD PRO A 8 -9.676 -6.692 -8.148 1.00 0.00 C ATOM 0 HA PRO A 8 -8.058 -6.984 -5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.627 -5.754 -7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.831 -7.490 -7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.079 -5.604 -9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.927 -7.346 -9.232 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.287 -5.874 -8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.102 -7.617 -8.537 1.00 0.00 H new ATOM 80 N LYS A 9 -7.538 -4.745 -4.544 1.00 0.00 N ATOM 81 CA LYS A 9 -7.429 -3.442 -3.911 1.00 0.00 C ATOM 82 C LYS A 9 -5.989 -2.940 -4.031 1.00 0.00 C ATOM 83 O LYS A 9 -5.045 -3.684 -3.770 1.00 0.00 O ATOM 84 CB LYS A 9 -7.941 -3.501 -2.470 1.00 0.00 C ATOM 85 CG LYS A 9 -9.288 -2.786 -2.338 1.00 0.00 C ATOM 86 CD LYS A 9 -9.511 -2.299 -0.904 1.00 0.00 C ATOM 87 CE LYS A 9 -11.004 -2.222 -0.578 1.00 0.00 C ATOM 88 NZ LYS A 9 -11.241 -2.549 0.845 1.00 0.00 N ATOM 0 H LYS A 9 -6.966 -5.475 -4.119 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.064 -2.717 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.045 -4.541 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.213 -3.040 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.323 -1.939 -3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.093 -3.462 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.017 -2.974 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.056 -1.317 -0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.378 -1.221 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.557 -2.914 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.259 -2.492 1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.902 -3.512 1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.729 -1.873 1.447 1.00 0.00 H new ATOM 102 N LYS A 10 -5.865 -1.682 -4.426 1.00 0.00 N ATOM 103 CA LYS A 10 -4.555 -1.072 -4.584 1.00 0.00 C ATOM 104 C LYS A 10 -3.723 -1.328 -3.326 1.00 0.00 C ATOM 105 O LYS A 10 -3.976 -0.735 -2.279 1.00 0.00 O ATOM 106 CB LYS A 10 -4.693 0.410 -4.938 1.00 0.00 C ATOM 107 CG LYS A 10 -3.527 0.876 -5.812 1.00 0.00 C ATOM 108 CD LYS A 10 -4.018 1.316 -7.193 1.00 0.00 C ATOM 109 CE LYS A 10 -4.058 0.134 -8.163 1.00 0.00 C ATOM 110 NZ LYS A 10 -4.095 0.614 -9.563 1.00 0.00 N ATOM 0 H LYS A 10 -6.650 -1.068 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.021 -1.527 -5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.634 0.576 -5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.728 1.004 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.011 1.703 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.803 0.068 -5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.012 1.754 -7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.361 2.092 -7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.183 -0.498 -8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.934 -0.481 -7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.122 -0.201 -10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.943 1.198 -9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.246 1.182 -9.758 1.00 0.00 H new ATOM 124 N PRO A 11 -2.722 -2.237 -3.475 1.00 0.00 N ATOM 125 CA PRO A 11 -1.851 -2.579 -2.363 1.00 0.00 C ATOM 126 C PRO A 11 -0.843 -1.461 -2.092 1.00 0.00 C ATOM 127 O PRO A 11 -0.757 -0.500 -2.854 1.00 0.00 O ATOM 128 CB PRO A 11 -1.192 -3.888 -2.768 1.00 0.00 C ATOM 129 CG PRO A 11 -1.361 -3.990 -4.275 1.00 0.00 C ATOM 130 CD PRO A 11 -2.394 -2.960 -4.700 1.00 0.00 C ATOM 0 HA PRO A 11 -2.393 -2.695 -1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.138 -3.896 -2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.660 -4.734 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.412 -3.808 -4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.684 -4.993 -4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.995 -2.289 -5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.276 -3.437 -5.127 1.00 0.00 H new ATOM 138 N PRO A 12 -0.086 -1.628 -0.974 1.00 0.00 N ATOM 139 CA PRO A 12 0.913 -0.644 -0.593 1.00 0.00 C ATOM 140 C PRO A 12 2.150 -0.744 -1.488 1.00 0.00 C ATOM 141 O PRO A 12 2.186 -1.551 -2.416 1.00 0.00 O ATOM 142 CB PRO A 12 1.212 -0.934 0.869 1.00 0.00 C ATOM 143 CG PRO A 12 0.722 -2.350 1.122 1.00 0.00 C ATOM 144 CD PRO A 12 -0.161 -2.754 -0.048 1.00 0.00 C ATOM 0 HA PRO A 12 0.564 0.381 -0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.279 -0.848 1.074 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.704 -0.223 1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.565 -3.034 1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.163 -2.399 2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.194 -3.674 -0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.187 -2.935 0.274 1.00 0.00 H new ATOM 152 N MET A 13 3.134 0.088 -1.178 1.00 0.00 N ATOM 153 CA MET A 13 4.369 0.104 -1.942 1.00 0.00 C ATOM 154 C MET A 13 5.528 0.641 -1.100 1.00 0.00 C ATOM 155 O MET A 13 5.362 1.601 -0.349 1.00 0.00 O ATOM 156 CB MET A 13 4.190 0.981 -3.184 1.00 0.00 C ATOM 157 CG MET A 13 3.613 0.172 -4.347 1.00 0.00 C ATOM 158 SD MET A 13 4.691 0.288 -5.765 1.00 0.00 S ATOM 159 CE MET A 13 4.461 2.007 -6.190 1.00 0.00 C ATOM 0 H MET A 13 3.100 0.756 -0.408 1.00 0.00 H new ATOM 0 HA MET A 13 4.604 -0.918 -2.239 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.528 1.815 -2.952 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.150 1.408 -3.474 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.496 -0.871 -4.053 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.621 0.544 -4.603 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.891 2.199 -7.173 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.396 2.238 -6.208 1.00 0.00 H new ATOM 0 HE3 MET A 13 4.956 2.634 -5.449 1.00 0.00 H new ATOM 169 N ASN A 14 6.677 -0.001 -1.254 1.00 0.00 N ATOM 170 CA ASN A 14 7.863 0.400 -0.517 1.00 0.00 C ATOM 171 C ASN A 14 7.822 -0.217 0.882 1.00 0.00 C ATOM 172 O ASN A 14 8.686 -1.017 1.237 1.00 0.00 O ATOM 173 CB ASN A 14 7.926 1.921 -0.361 1.00 0.00 C ATOM 174 CG ASN A 14 7.450 2.623 -1.634 1.00 0.00 C ATOM 175 OD1 ASN A 14 7.784 2.244 -2.745 1.00 0.00 O ATOM 176 ND2 ASN A 14 6.653 3.664 -1.412 1.00 0.00 N ATOM 0 H ASN A 14 6.812 -0.796 -1.879 1.00 0.00 H new ATOM 0 HA ASN A 14 8.737 0.057 -1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.307 2.230 0.482 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.948 2.225 -0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.282 4.199 -2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.413 3.928 -0.456 1.00 0.00 H new ATOM 183 N GLY A 15 6.809 0.178 1.639 1.00 0.00 N ATOM 184 CA GLY A 15 6.644 -0.327 2.992 1.00 0.00 C ATOM 185 C GLY A 15 6.106 0.763 3.922 1.00 0.00 C ATOM 186 O GLY A 15 5.350 0.475 4.849 1.00 0.00 O ATOM 0 H GLY A 15 6.094 0.842 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.960 -1.176 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.600 -0.691 3.367 1.00 0.00 H new ATOM 190 N TYR A 16 6.517 1.991 3.642 1.00 0.00 N ATOM 191 CA TYR A 16 6.086 3.125 4.441 1.00 0.00 C ATOM 192 C TYR A 16 4.583 3.366 4.286 1.00 0.00 C ATOM 193 O TYR A 16 3.898 3.686 5.257 1.00 0.00 O ATOM 194 CB TYR A 16 6.843 4.337 3.896 1.00 0.00 C ATOM 195 CG TYR A 16 6.323 5.680 4.413 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.217 5.903 5.771 1.00 0.00 C ATOM 197 CD2 TYR A 16 5.959 6.669 3.521 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.727 7.166 6.257 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.469 7.932 4.008 1.00 0.00 C ATOM 200 CZ TYR A 16 5.377 8.119 5.352 1.00 0.00 C ATOM 201 OH TYR A 16 4.914 9.312 5.811 1.00 0.00 O ATOM 0 H TYR A 16 7.144 2.225 2.873 1.00 0.00 H new ATOM 0 HA TYR A 16 6.286 2.947 5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.897 4.242 4.158 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.783 4.331 2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.502 5.130 6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.042 6.495 2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.639 7.353 7.317 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.181 8.714 3.321 1.00 0.00 H new ATOM 0 HH TYR A 16 4.704 9.895 5.052 1.00 0.00 H new ATOM 211 N GLN A 17 4.113 3.202 3.058 1.00 0.00 N ATOM 212 CA GLN A 17 2.704 3.398 2.763 1.00 0.00 C ATOM 213 C GLN A 17 1.863 2.320 3.451 1.00 0.00 C ATOM 214 O GLN A 17 0.683 2.530 3.726 1.00 0.00 O ATOM 215 CB GLN A 17 2.456 3.406 1.253 1.00 0.00 C ATOM 216 CG GLN A 17 3.242 4.530 0.575 1.00 0.00 C ATOM 217 CD GLN A 17 2.857 4.655 -0.901 1.00 0.00 C ATOM 218 OE1 GLN A 17 2.836 3.497 -1.554 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 2.596 5.732 -1.412 1.00 0.00 N flip ATOM 0 H GLN A 17 4.683 2.935 2.256 1.00 0.00 H new ATOM 0 HA GLN A 17 2.403 4.370 3.153 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.747 2.446 0.828 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.391 3.532 1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.049 5.473 1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.311 4.334 0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.631 6.584 -0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.342 5.780 -2.399 1.00 0.00 H new ATOM 228 N LYS A 18 2.505 1.190 3.709 1.00 0.00 N ATOM 229 CA LYS A 18 1.831 0.079 4.360 1.00 0.00 C ATOM 230 C LYS A 18 1.519 0.456 5.809 1.00 0.00 C ATOM 231 O LYS A 18 0.356 0.483 6.211 1.00 0.00 O ATOM 232 CB LYS A 18 2.655 -1.203 4.221 1.00 0.00 C ATOM 233 CG LYS A 18 2.266 -2.223 5.293 1.00 0.00 C ATOM 234 CD LYS A 18 0.766 -2.524 5.245 1.00 0.00 C ATOM 235 CE LYS A 18 0.512 -4.028 5.129 1.00 0.00 C ATOM 236 NZ LYS A 18 -0.418 -4.480 6.188 1.00 0.00 N ATOM 0 H LYS A 18 3.484 1.020 3.479 1.00 0.00 H new ATOM 0 HA LYS A 18 0.878 -0.128 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.501 -1.633 3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.716 -0.969 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.830 -3.144 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.532 -1.840 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.285 -2.139 6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.315 -2.009 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.095 -4.258 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.455 -4.569 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.580 -5.503 6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.006 -4.278 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.323 -3.977 6.093 1.00 0.00 H new ATOM 250 N PHE A 19 2.577 0.736 6.555 1.00 0.00 N ATOM 251 CA PHE A 19 2.430 1.110 7.952 1.00 0.00 C ATOM 252 C PHE A 19 1.550 2.352 8.097 1.00 0.00 C ATOM 253 O PHE A 19 0.709 2.420 8.992 1.00 0.00 O ATOM 254 CB PHE A 19 3.831 1.427 8.479 1.00 0.00 C ATOM 255 CG PHE A 19 3.839 2.264 9.760 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.364 1.736 10.920 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.320 3.536 9.739 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.371 2.513 12.109 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.327 4.312 10.927 1.00 0.00 C ATOM 260 CZ PHE A 19 3.853 3.785 12.087 1.00 0.00 C ATOM 0 H PHE A 19 3.540 0.712 6.219 1.00 0.00 H new ATOM 0 HA PHE A 19 1.960 0.298 8.508 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.358 0.491 8.665 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.387 1.958 7.707 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.982 0.726 10.937 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.697 3.956 8.818 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.994 2.094 13.030 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.709 5.322 10.910 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.859 4.376 12.991 1.00 0.00 H new ATOM 270 N SER A 20 1.773 3.305 7.203 1.00 0.00 N ATOM 271 CA SER A 20 1.010 4.541 7.221 1.00 0.00 C ATOM 272 C SER A 20 -0.488 4.233 7.176 1.00 0.00 C ATOM 273 O SER A 20 -1.220 4.555 8.110 1.00 0.00 O ATOM 274 CB SER A 20 1.401 5.446 6.051 1.00 0.00 C ATOM 275 OG SER A 20 2.802 5.706 6.022 1.00 0.00 O ATOM 0 H SER A 20 2.471 3.246 6.462 1.00 0.00 H new ATOM 0 HA SER A 20 1.238 5.070 8.147 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.100 4.978 5.114 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.859 6.389 6.125 1.00 0.00 H new ATOM 0 HG SER A 20 3.235 5.098 5.387 1.00 0.00 H new ATOM 281 N GLN A 21 -0.899 3.612 6.080 1.00 0.00 N ATOM 282 CA GLN A 21 -2.296 3.257 5.901 1.00 0.00 C ATOM 283 C GLN A 21 -2.866 2.675 7.196 1.00 0.00 C ATOM 284 O GLN A 21 -4.033 2.893 7.518 1.00 0.00 O ATOM 285 CB GLN A 21 -2.468 2.278 4.738 1.00 0.00 C ATOM 286 CG GLN A 21 -2.957 3.000 3.481 1.00 0.00 C ATOM 287 CD GLN A 21 -3.360 2.000 2.395 1.00 0.00 C ATOM 288 OE1 GLN A 21 -2.904 0.869 2.356 1.00 0.00 O ATOM 289 NE2 GLN A 21 -4.238 2.478 1.518 1.00 0.00 N ATOM 0 H GLN A 21 -0.289 3.346 5.307 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.852 4.162 5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.519 1.783 4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.180 1.500 5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.808 3.635 3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.171 3.654 3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.580 3.435 1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.570 1.888 0.755 1.00 0.00 H new ATOM 298 N GLU A 22 -2.016 1.946 7.904 1.00 0.00 N ATOM 299 CA GLU A 22 -2.420 1.332 9.157 1.00 0.00 C ATOM 300 C GLU A 22 -2.803 2.406 10.176 1.00 0.00 C ATOM 301 O GLU A 22 -3.811 2.278 10.870 1.00 0.00 O ATOM 302 CB GLU A 22 -1.316 0.425 9.705 1.00 0.00 C ATOM 303 CG GLU A 22 -1.906 -0.833 10.344 1.00 0.00 C ATOM 304 CD GLU A 22 -1.267 -2.096 9.762 1.00 0.00 C ATOM 305 OE1 GLU A 22 -1.572 -2.397 8.588 1.00 0.00 O ATOM 306 OE2 GLU A 22 -0.487 -2.731 10.504 1.00 0.00 O ATOM 0 H GLU A 22 -1.049 1.767 7.634 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.295 0.710 8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.638 0.144 8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.726 0.969 10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.749 -0.805 11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.983 -0.857 10.180 1.00 0.00 H new ATOM 313 N LEU A 23 -1.979 3.442 10.235 1.00 0.00 N ATOM 314 CA LEU A 23 -2.218 4.538 11.158 1.00 0.00 C ATOM 315 C LEU A 23 -3.443 5.330 10.695 1.00 0.00 C ATOM 316 O LEU A 23 -4.085 6.011 11.494 1.00 0.00 O ATOM 317 CB LEU A 23 -0.958 5.392 11.314 1.00 0.00 C ATOM 318 CG LEU A 23 0.243 4.701 11.963 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.550 5.133 11.295 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.264 4.942 13.474 1.00 0.00 C ATOM 0 H LEU A 23 -1.144 3.545 9.658 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.441 4.155 12.154 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.659 5.747 10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.210 6.272 11.906 1.00 0.00 H new ATOM 0 HG LEU A 23 0.143 3.626 11.810 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.388 4.628 11.775 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.523 4.868 10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.671 6.212 11.396 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.127 4.440 13.911 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.328 6.012 13.671 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.649 4.546 13.918 1.00 0.00 H new ATOM 332 N LEU A 24 -3.732 5.214 9.408 1.00 0.00 N ATOM 333 CA LEU A 24 -4.869 5.910 8.829 1.00 0.00 C ATOM 334 C LEU A 24 -6.146 5.119 9.117 1.00 0.00 C ATOM 335 O LEU A 24 -7.228 5.695 9.216 1.00 0.00 O ATOM 336 CB LEU A 24 -4.633 6.178 7.342 1.00 0.00 C ATOM 337 CG LEU A 24 -3.517 7.169 7.007 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.641 7.668 5.566 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.488 8.322 8.012 1.00 0.00 C ATOM 0 H LEU A 24 -3.198 4.648 8.749 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.990 6.890 9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.408 5.230 6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.562 6.548 6.908 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.563 6.648 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.836 8.371 5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.574 6.823 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.601 8.166 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.686 9.012 7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.442 8.849 7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.316 7.928 9.013 1.00 0.00 H new ATOM 351 N SER A 25 -5.978 3.811 9.244 1.00 0.00 N ATOM 352 CA SER A 25 -7.104 2.935 9.519 1.00 0.00 C ATOM 353 C SER A 25 -7.214 2.680 11.023 1.00 0.00 C ATOM 354 O SER A 25 -8.270 2.284 11.514 1.00 0.00 O ATOM 355 CB SER A 25 -6.968 1.610 8.764 1.00 0.00 C ATOM 356 OG SER A 25 -8.223 1.143 8.276 1.00 0.00 O ATOM 0 H SER A 25 -5.079 3.337 9.162 1.00 0.00 H new ATOM 0 HA SER A 25 -8.013 3.428 9.174 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.279 1.737 7.929 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.534 0.859 9.424 1.00 0.00 H new ATOM 0 HG SER A 25 -8.094 0.297 7.799 1.00 0.00 H new ATOM 362 N ASN A 26 -6.108 2.917 11.714 1.00 0.00 N ATOM 363 CA ASN A 26 -6.067 2.718 13.152 1.00 0.00 C ATOM 364 C ASN A 26 -6.759 3.893 13.845 1.00 0.00 C ATOM 365 O ASN A 26 -7.758 3.708 14.540 1.00 0.00 O ATOM 366 CB ASN A 26 -4.625 2.654 13.658 1.00 0.00 C ATOM 367 CG ASN A 26 -3.964 1.330 13.266 1.00 0.00 C ATOM 368 OD1 ASN A 26 -2.676 1.440 12.955 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -4.583 0.279 13.247 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.234 3.245 11.304 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.570 1.778 13.377 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.054 3.486 13.246 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.611 2.764 14.742 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.572 0.265 13.498 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.112 -0.586 12.981 1.00 0.00 H new ATOM 376 N GLY A 27 -6.201 5.076 13.633 1.00 0.00 N ATOM 377 CA GLY A 27 -6.753 6.281 14.228 1.00 0.00 C ATOM 378 C GLY A 27 -5.940 6.709 15.452 1.00 0.00 C ATOM 379 O GLY A 27 -6.465 7.359 16.354 1.00 0.00 O ATOM 0 H GLY A 27 -5.372 5.226 13.057 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.759 7.085 13.492 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.789 6.106 14.518 1.00 0.00 H new ATOM 383 N GLU A 28 -4.671 6.328 15.443 1.00 0.00 N ATOM 384 CA GLU A 28 -3.780 6.664 16.540 1.00 0.00 C ATOM 385 C GLU A 28 -3.414 8.149 16.491 1.00 0.00 C ATOM 386 O GLU A 28 -2.969 8.716 17.488 1.00 0.00 O ATOM 387 CB GLU A 28 -2.526 5.789 16.516 1.00 0.00 C ATOM 388 CG GLU A 28 -2.815 4.434 15.867 1.00 0.00 C ATOM 389 CD GLU A 28 -1.899 3.347 16.435 1.00 0.00 C ATOM 390 OE1 GLU A 28 -1.917 3.182 17.674 1.00 0.00 O ATOM 391 OE2 GLU A 28 -1.203 2.707 15.617 1.00 0.00 O ATOM 0 H GLU A 28 -4.239 5.789 14.693 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.301 6.469 17.478 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.734 6.298 15.967 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.163 5.639 17.533 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.857 4.161 16.035 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.674 4.506 14.788 1.00 0.00 H new ATOM 398 N LEU A 29 -3.615 8.737 15.320 1.00 0.00 N ATOM 399 CA LEU A 29 -3.311 10.144 15.128 1.00 0.00 C ATOM 400 C LEU A 29 -4.543 10.854 14.562 1.00 0.00 C ATOM 401 O LEU A 29 -4.418 11.751 13.728 1.00 0.00 O ATOM 402 CB LEU A 29 -2.057 10.309 14.268 1.00 0.00 C ATOM 403 CG LEU A 29 -1.174 9.068 14.124 1.00 0.00 C ATOM 404 CD1 LEU A 29 -0.331 9.139 12.849 1.00 0.00 C ATOM 405 CD2 LEU A 29 -0.311 8.862 15.371 1.00 0.00 C ATOM 0 H LEU A 29 -3.985 8.264 14.495 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.079 10.618 16.082 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.363 10.630 13.272 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.454 11.113 14.691 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.822 8.196 14.033 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.287 8.245 12.771 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.988 9.203 11.982 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.309 10.021 12.885 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.307 7.973 15.243 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.330 9.732 15.518 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.954 8.734 16.242 1.00 0.00 H new ATOM 417 N ASN A 30 -5.703 10.427 15.037 1.00 0.00 N ATOM 418 CA ASN A 30 -6.956 11.011 14.589 1.00 0.00 C ATOM 419 C ASN A 30 -7.283 12.231 15.452 1.00 0.00 C ATOM 420 O ASN A 30 -8.289 12.903 15.228 1.00 0.00 O ATOM 421 CB ASN A 30 -8.108 10.014 14.725 1.00 0.00 C ATOM 422 CG ASN A 30 -8.182 9.092 13.506 1.00 0.00 C ATOM 423 OD1 ASN A 30 -7.581 9.336 12.473 1.00 0.00 O ATOM 424 ND2 ASN A 30 -8.952 8.021 13.683 1.00 0.00 N ATOM 0 H ASN A 30 -5.802 9.683 15.728 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.842 11.290 13.542 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.974 9.419 15.628 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.049 10.553 14.835 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.067 7.345 12.928 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.428 7.876 14.574 1.00 0.00 H new ATOM 431 N HIS A 31 -6.413 12.481 16.420 1.00 0.00 N ATOM 432 CA HIS A 31 -6.597 13.609 17.317 1.00 0.00 C ATOM 433 C HIS A 31 -6.196 14.902 16.605 1.00 0.00 C ATOM 434 O HIS A 31 -6.672 15.981 16.954 1.00 0.00 O ATOM 435 CB HIS A 31 -5.835 13.392 18.626 1.00 0.00 C ATOM 436 CG HIS A 31 -4.367 13.089 18.438 1.00 0.00 C ATOM 437 ND1 HIS A 31 -3.900 11.836 18.079 1.00 0.00 N ATOM 438 CD2 HIS A 31 -3.269 13.888 18.564 1.00 0.00 C ATOM 439 CE1 HIS A 31 -2.579 11.891 17.995 1.00 0.00 C ATOM 440 NE2 HIS A 31 -2.190 13.163 18.297 1.00 0.00 N ATOM 0 H HIS A 31 -5.580 11.922 16.602 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.650 13.695 17.587 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -5.935 14.283 19.245 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.298 12.570 19.173 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -4.475 11.011 17.908 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.276 14.933 18.835 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -1.925 11.072 17.733 1.00 0.00 H new ATOM 448 N LEU A 32 -5.323 14.751 15.620 1.00 0.00 N ATOM 449 CA LEU A 32 -4.852 15.894 14.855 1.00 0.00 C ATOM 450 C LEU A 32 -5.421 15.822 13.436 1.00 0.00 C ATOM 451 O LEU A 32 -6.007 14.812 13.049 1.00 0.00 O ATOM 452 CB LEU A 32 -3.325 15.977 14.902 1.00 0.00 C ATOM 453 CG LEU A 32 -2.599 14.715 15.372 1.00 0.00 C ATOM 454 CD1 LEU A 32 -2.452 13.710 14.228 1.00 0.00 C ATOM 455 CD2 LEU A 32 -1.251 15.063 16.006 1.00 0.00 C ATOM 0 H LEU A 32 -4.929 13.855 15.334 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.213 16.823 15.297 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.964 16.230 13.905 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.046 16.799 15.561 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.204 14.239 16.143 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.933 12.822 14.588 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.439 13.429 13.861 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.879 14.162 13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.755 14.149 16.332 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.626 15.574 15.274 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.410 15.715 16.865 1.00 0.00 H new ATOM 467 N PRO A 33 -5.223 16.935 12.681 1.00 0.00 N ATOM 468 CA PRO A 33 -5.709 17.008 11.313 1.00 0.00 C ATOM 469 C PRO A 33 -4.834 16.173 10.375 1.00 0.00 C ATOM 470 O PRO A 33 -3.672 15.906 10.678 1.00 0.00 O ATOM 471 CB PRO A 33 -5.701 18.489 10.972 1.00 0.00 C ATOM 472 CG PRO A 33 -4.779 19.146 11.985 1.00 0.00 C ATOM 473 CD PRO A 33 -4.533 18.149 13.106 1.00 0.00 C ATOM 0 HA PRO A 33 -6.710 16.592 11.199 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.344 18.654 9.955 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.706 18.908 11.029 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.838 19.432 11.515 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.230 20.058 12.377 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.468 17.969 13.249 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.925 18.516 14.055 1.00 0.00 H new ATOM 481 N LEU A 34 -5.427 15.785 9.256 1.00 0.00 N ATOM 482 CA LEU A 34 -4.716 14.986 8.272 1.00 0.00 C ATOM 483 C LEU A 34 -3.313 15.562 8.070 1.00 0.00 C ATOM 484 O LEU A 34 -2.319 14.858 8.236 1.00 0.00 O ATOM 485 CB LEU A 34 -5.529 14.880 6.980 1.00 0.00 C ATOM 486 CG LEU A 34 -5.027 13.863 5.953 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.510 13.963 5.780 1.00 0.00 C ATOM 488 CD2 LEU A 34 -5.469 12.446 6.322 1.00 0.00 C ATOM 0 H LEU A 34 -6.391 16.009 9.009 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.592 13.964 8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.557 14.626 7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.553 15.862 6.508 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.478 14.100 4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.179 13.230 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.248 14.964 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.021 13.767 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.099 11.743 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.066 12.182 7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.558 12.401 6.354 1.00 0.00 H new ATOM 500 N LYS A 35 -3.278 16.838 7.713 1.00 0.00 N ATOM 501 CA LYS A 35 -2.014 17.517 7.487 1.00 0.00 C ATOM 502 C LYS A 35 -1.005 17.074 8.548 1.00 0.00 C ATOM 503 O LYS A 35 0.187 16.959 8.266 1.00 0.00 O ATOM 504 CB LYS A 35 -2.222 19.032 7.431 1.00 0.00 C ATOM 505 CG LYS A 35 -0.888 19.763 7.268 1.00 0.00 C ATOM 506 CD LYS A 35 -0.510 19.892 5.791 1.00 0.00 C ATOM 507 CE LYS A 35 0.441 21.070 5.569 1.00 0.00 C ATOM 508 NZ LYS A 35 0.127 21.757 4.296 1.00 0.00 N ATOM 0 H LYS A 35 -4.105 17.419 7.575 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.601 17.239 6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.881 19.282 6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.716 19.369 8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.955 20.754 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.106 19.223 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.038 18.970 5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.410 20.029 5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.359 21.773 6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.471 20.715 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.782 22.554 4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.228 21.088 3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.850 22.113 4.325 1.00 0.00 H new ATOM 522 N GLU A 36 -1.519 16.837 9.746 1.00 0.00 N ATOM 523 CA GLU A 36 -0.677 16.409 10.850 1.00 0.00 C ATOM 524 C GLU A 36 -0.463 14.894 10.798 1.00 0.00 C ATOM 525 O GLU A 36 0.669 14.421 10.878 1.00 0.00 O ATOM 526 CB GLU A 36 -1.277 16.832 12.192 1.00 0.00 C ATOM 527 CG GLU A 36 -0.835 18.248 12.568 1.00 0.00 C ATOM 528 CD GLU A 36 0.384 18.215 13.492 1.00 0.00 C ATOM 529 OE1 GLU A 36 1.390 17.597 13.081 1.00 0.00 O ATOM 530 OE2 GLU A 36 0.283 18.808 14.587 1.00 0.00 O ATOM 0 H GLU A 36 -2.508 16.933 9.976 1.00 0.00 H new ATOM 0 HA GLU A 36 0.293 16.897 10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.365 16.789 12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.969 16.132 12.969 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.596 18.810 11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.655 18.770 13.061 1.00 0.00 H new ATOM 537 N ARG A 37 -1.569 14.177 10.665 1.00 0.00 N ATOM 538 CA ARG A 37 -1.517 12.726 10.601 1.00 0.00 C ATOM 539 C ARG A 37 -0.295 12.274 9.800 1.00 0.00 C ATOM 540 O ARG A 37 0.600 11.624 10.339 1.00 0.00 O ATOM 541 CB ARG A 37 -2.781 12.157 9.955 1.00 0.00 C ATOM 542 CG ARG A 37 -3.891 11.970 10.992 1.00 0.00 C ATOM 543 CD ARG A 37 -5.188 11.503 10.329 1.00 0.00 C ATOM 544 NE ARG A 37 -6.291 12.429 10.667 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.579 12.202 10.375 1.00 0.00 C ATOM 546 NH1 ARG A 37 -7.934 11.077 9.738 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.513 13.099 10.720 1.00 0.00 N ATOM 0 H ARG A 37 -2.506 14.574 10.600 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.445 12.352 11.622 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.124 12.827 9.167 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.554 11.201 9.484 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.577 11.240 11.739 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.065 12.909 11.517 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.058 11.459 9.248 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.434 10.495 10.662 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.056 13.295 11.153 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.224 10.394 9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.914 10.904 9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.244 13.955 11.205 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.493 12.926 10.498 1.00 0.00 H new ATOM 561 N MET A 38 -0.296 12.634 8.525 1.00 0.00 N ATOM 562 CA MET A 38 0.801 12.274 7.644 1.00 0.00 C ATOM 563 C MET A 38 2.152 12.554 8.306 1.00 0.00 C ATOM 564 O MET A 38 2.879 11.627 8.658 1.00 0.00 O ATOM 565 CB MET A 38 0.695 13.072 6.343 1.00 0.00 C ATOM 566 CG MET A 38 -0.468 12.570 5.485 1.00 0.00 C ATOM 567 SD MET A 38 0.121 11.379 4.293 1.00 0.00 S ATOM 568 CE MET A 38 -0.288 9.863 5.141 1.00 0.00 C ATOM 0 H MET A 38 -1.040 13.172 8.081 1.00 0.00 H new ATOM 0 HA MET A 38 0.736 11.207 7.432 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.554 14.129 6.571 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.627 12.988 5.784 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.229 12.116 6.120 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.940 13.408 4.971 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.481 9.078 4.410 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.544 9.567 5.780 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.177 10.017 5.752 1.00 0.00 H new ATOM 578 N VAL A 39 2.445 13.837 8.457 1.00 0.00 N ATOM 579 CA VAL A 39 3.695 14.252 9.072 1.00 0.00 C ATOM 580 C VAL A 39 3.932 13.430 10.340 1.00 0.00 C ATOM 581 O VAL A 39 5.023 12.899 10.545 1.00 0.00 O ATOM 582 CB VAL A 39 3.676 15.760 9.331 1.00 0.00 C ATOM 583 CG1 VAL A 39 2.416 16.168 10.098 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.938 16.204 10.073 1.00 0.00 C ATOM 0 H VAL A 39 1.839 14.603 8.164 1.00 0.00 H new ATOM 0 HA VAL A 39 4.532 14.062 8.401 1.00 0.00 H new ATOM 0 HB VAL A 39 3.659 16.266 8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.427 17.244 10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.534 15.902 9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.389 15.648 11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.900 17.280 10.245 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.999 15.686 11.030 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.816 15.963 9.474 1.00 0.00 H new ATOM 594 N GLU A 40 2.893 13.350 11.158 1.00 0.00 N ATOM 595 CA GLU A 40 2.974 12.602 12.401 1.00 0.00 C ATOM 596 C GLU A 40 3.430 11.167 12.128 1.00 0.00 C ATOM 597 O GLU A 40 4.242 10.618 12.871 1.00 0.00 O ATOM 598 CB GLU A 40 1.635 12.620 13.141 1.00 0.00 C ATOM 599 CG GLU A 40 1.846 12.720 14.653 1.00 0.00 C ATOM 600 CD GLU A 40 2.682 13.951 15.010 1.00 0.00 C ATOM 601 OE1 GLU A 40 2.071 15.032 15.149 1.00 0.00 O ATOM 602 OE2 GLU A 40 3.914 13.782 15.136 1.00 0.00 O ATOM 0 H GLU A 40 1.990 13.791 10.984 1.00 0.00 H new ATOM 0 HA GLU A 40 3.713 13.082 13.043 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.037 13.464 12.797 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.074 11.715 12.907 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.880 12.774 15.156 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.344 11.820 15.015 1.00 0.00 H new ATOM 609 N ILE A 41 2.887 10.601 11.059 1.00 0.00 N ATOM 610 CA ILE A 41 3.228 9.241 10.679 1.00 0.00 C ATOM 611 C ILE A 41 4.724 9.162 10.370 1.00 0.00 C ATOM 612 O ILE A 41 5.456 8.413 11.014 1.00 0.00 O ATOM 613 CB ILE A 41 2.337 8.767 9.529 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.866 8.743 9.950 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.803 7.411 8.997 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.050 9.021 8.756 1.00 0.00 C ATOM 0 H ILE A 41 2.214 11.060 10.445 1.00 0.00 H new ATOM 0 HA ILE A 41 3.036 8.555 11.504 1.00 0.00 H new ATOM 0 HB ILE A 41 2.427 9.481 8.711 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.623 7.772 10.381 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.694 9.488 10.726 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.153 7.097 8.180 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.827 7.495 8.633 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.762 6.672 9.798 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.090 8.998 9.082 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.179 10.003 8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.107 8.260 7.992 1.00 0.00 H new ATOM 628 N GLY A 42 5.134 9.946 9.383 1.00 0.00 N ATOM 629 CA GLY A 42 6.530 9.974 8.981 1.00 0.00 C ATOM 630 C GLY A 42 7.453 9.835 10.193 1.00 0.00 C ATOM 631 O GLY A 42 8.541 9.270 10.089 1.00 0.00 O ATOM 0 H GLY A 42 4.524 10.566 8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.725 9.166 8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.744 10.908 8.462 1.00 0.00 H new ATOM 635 N SER A 43 6.986 10.362 11.316 1.00 0.00 N ATOM 636 CA SER A 43 7.756 10.304 12.546 1.00 0.00 C ATOM 637 C SER A 43 7.743 8.880 13.106 1.00 0.00 C ATOM 638 O SER A 43 8.797 8.299 13.357 1.00 0.00 O ATOM 639 CB SER A 43 7.210 11.287 13.584 1.00 0.00 C ATOM 640 OG SER A 43 8.238 12.100 14.143 1.00 0.00 O ATOM 0 H SER A 43 6.084 10.831 11.399 1.00 0.00 H new ATOM 0 HA SER A 43 8.783 10.589 12.320 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.457 11.924 13.119 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.712 10.734 14.380 1.00 0.00 H new ATOM 0 HG SER A 43 7.848 12.715 14.799 1.00 0.00 H new ATOM 646 N ARG A 44 6.538 8.360 13.284 1.00 0.00 N ATOM 647 CA ARG A 44 6.374 7.015 13.809 1.00 0.00 C ATOM 648 C ARG A 44 7.109 6.006 12.924 1.00 0.00 C ATOM 649 O ARG A 44 7.674 5.034 13.422 1.00 0.00 O ATOM 650 CB ARG A 44 4.895 6.631 13.887 1.00 0.00 C ATOM 651 CG ARG A 44 4.139 7.554 14.845 1.00 0.00 C ATOM 652 CD ARG A 44 3.027 6.796 15.573 1.00 0.00 C ATOM 653 NE ARG A 44 3.579 6.101 16.757 1.00 0.00 N ATOM 654 CZ ARG A 44 2.895 5.216 17.496 1.00 0.00 C ATOM 655 NH1 ARG A 44 1.630 4.913 17.176 1.00 0.00 N ATOM 656 NH2 ARG A 44 3.477 4.635 18.553 1.00 0.00 N ATOM 0 H ARG A 44 5.666 8.845 13.074 1.00 0.00 H new ATOM 0 HA ARG A 44 6.796 6.998 14.814 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.448 6.687 12.894 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.801 5.598 14.221 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.833 7.976 15.572 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.712 8.389 14.290 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.244 7.489 15.880 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.567 6.074 14.899 1.00 0.00 H new ATOM 0 HE ARG A 44 4.540 6.308 17.028 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.188 5.356 16.370 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.109 4.240 17.738 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.440 4.866 18.796 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.957 3.962 19.115 1.00 0.00 H new ATOM 670 N TRP A 45 7.078 6.272 11.626 1.00 0.00 N ATOM 671 CA TRP A 45 7.734 5.400 10.667 1.00 0.00 C ATOM 672 C TRP A 45 9.243 5.481 10.910 1.00 0.00 C ATOM 673 O TRP A 45 9.959 4.499 10.722 1.00 0.00 O ATOM 674 CB TRP A 45 7.339 5.764 9.235 1.00 0.00 C ATOM 675 CG TRP A 45 8.206 5.102 8.162 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.236 5.633 7.491 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.076 3.754 7.663 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.778 4.731 6.598 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.049 3.551 6.706 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.165 2.740 8.008 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.206 2.344 6.015 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.335 1.539 7.309 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.310 1.319 6.343 1.00 0.00 C ATOM 0 H TRP A 45 6.608 7.080 11.216 1.00 0.00 H new ATOM 0 HA TRP A 45 7.414 4.367 10.803 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.299 5.481 9.073 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.397 6.846 9.117 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.597 6.641 7.631 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.567 4.899 5.974 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.395 2.877 8.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 9.976 2.210 5.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.661 0.726 7.536 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.376 0.362 5.848 1.00 0.00 H new ATOM 694 N GLN A 46 9.681 6.661 11.324 1.00 0.00 N ATOM 695 CA GLN A 46 11.091 6.883 11.594 1.00 0.00 C ATOM 696 C GLN A 46 11.439 6.423 13.011 1.00 0.00 C ATOM 697 O GLN A 46 12.605 6.432 13.402 1.00 0.00 O ATOM 698 CB GLN A 46 11.464 8.353 11.388 1.00 0.00 C ATOM 699 CG GLN A 46 11.838 8.624 9.930 1.00 0.00 C ATOM 700 CD GLN A 46 13.162 9.386 9.836 1.00 0.00 C ATOM 701 OE1 GLN A 46 14.222 8.818 9.632 1.00 0.00 O ATOM 702 NE2 GLN A 46 13.042 10.701 9.996 1.00 0.00 N ATOM 0 H GLN A 46 9.084 7.473 11.479 1.00 0.00 H new ATOM 0 HA GLN A 46 11.674 6.292 10.887 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.627 8.988 11.677 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.300 8.614 12.036 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.918 7.681 9.390 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.048 9.200 9.449 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.124 11.113 10.164 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.868 11.298 9.951 1.00 0.00 H new ATOM 711 N ARG A 47 10.406 6.030 13.742 1.00 0.00 N ATOM 712 CA ARG A 47 10.587 5.567 15.107 1.00 0.00 C ATOM 713 C ARG A 47 10.883 4.066 15.123 1.00 0.00 C ATOM 714 O ARG A 47 11.855 3.628 15.736 1.00 0.00 O ATOM 715 CB ARG A 47 9.343 5.844 15.953 1.00 0.00 C ATOM 716 CG ARG A 47 9.253 7.325 16.328 1.00 0.00 C ATOM 717 CD ARG A 47 7.894 7.651 16.951 1.00 0.00 C ATOM 718 NE ARG A 47 8.051 7.907 18.401 1.00 0.00 N ATOM 719 CZ ARG A 47 8.061 6.947 19.336 1.00 0.00 C ATOM 720 NH1 ARG A 47 7.923 5.663 18.980 1.00 0.00 N ATOM 721 NH2 ARG A 47 8.208 7.272 20.628 1.00 0.00 N ATOM 0 H ARG A 47 9.440 6.023 13.414 1.00 0.00 H new ATOM 0 HA ARG A 47 11.430 6.112 15.533 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.450 5.550 15.401 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.372 5.237 16.858 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.048 7.575 17.030 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.407 7.939 15.440 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.461 8.525 16.464 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.204 6.823 16.792 1.00 0.00 H new ATOM 0 HE ARG A 47 8.158 8.874 18.707 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.810 5.416 17.997 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.931 4.933 19.692 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.312 8.250 20.899 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.216 6.542 21.340 1.00 0.00 H new ATOM 735 N ILE A 48 10.026 3.319 14.442 1.00 0.00 N ATOM 736 CA ILE A 48 10.184 1.877 14.371 1.00 0.00 C ATOM 737 C ILE A 48 11.630 1.543 13.999 1.00 0.00 C ATOM 738 O ILE A 48 12.429 2.440 13.736 1.00 0.00 O ATOM 739 CB ILE A 48 9.150 1.271 13.419 1.00 0.00 C ATOM 740 CG1 ILE A 48 9.231 1.920 12.036 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.742 1.359 14.012 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.142 1.376 11.110 1.00 0.00 C ATOM 0 H ILE A 48 9.220 3.686 13.935 1.00 0.00 H new ATOM 0 HA ILE A 48 9.992 1.425 15.344 1.00 0.00 H new ATOM 0 HB ILE A 48 9.381 0.213 13.292 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.126 3.001 12.131 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.212 1.732 11.599 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.026 0.922 13.316 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.710 0.814 14.956 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.486 2.404 14.187 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.222 1.854 10.134 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.265 0.299 10.998 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.162 1.587 11.538 1.00 0.00 H new ATOM 754 N SER A 49 11.922 0.251 13.990 1.00 0.00 N ATOM 755 CA SER A 49 13.258 -0.212 13.656 1.00 0.00 C ATOM 756 C SER A 49 13.267 -0.814 12.249 1.00 0.00 C ATOM 757 O SER A 49 12.283 -0.706 11.518 1.00 0.00 O ATOM 758 CB SER A 49 13.757 -1.238 14.675 1.00 0.00 C ATOM 759 OG SER A 49 14.685 -0.669 15.595 1.00 0.00 O ATOM 0 H SER A 49 11.256 -0.490 14.209 1.00 0.00 H new ATOM 0 HA SER A 49 13.933 0.644 13.683 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.908 -1.647 15.223 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.229 -2.069 14.151 1.00 0.00 H new ATOM 0 HG SER A 49 14.979 -1.355 16.230 1.00 0.00 H new ATOM 765 N GLN A 50 14.388 -1.435 11.912 1.00 0.00 N ATOM 766 CA GLN A 50 14.537 -2.054 10.606 1.00 0.00 C ATOM 767 C GLN A 50 13.469 -3.132 10.405 1.00 0.00 C ATOM 768 O GLN A 50 12.762 -3.129 9.398 1.00 0.00 O ATOM 769 CB GLN A 50 15.942 -2.635 10.432 1.00 0.00 C ATOM 770 CG GLN A 50 16.141 -3.172 9.014 1.00 0.00 C ATOM 771 CD GLN A 50 15.898 -2.076 7.973 1.00 0.00 C ATOM 772 OE1 GLN A 50 14.638 -1.998 7.554 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 16.795 -1.351 7.577 1.00 0.00 N flip ATOM 0 H GLN A 50 15.202 -1.523 12.521 1.00 0.00 H new ATOM 0 HA GLN A 50 14.400 -1.287 9.844 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.686 -1.866 10.641 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.100 -3.436 11.154 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.153 -3.561 8.908 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.459 -4.004 8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.741 -1.465 7.941 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.599 -0.631 6.882 1.00 0.00 H new ATOM 782 N SER A 51 13.386 -4.027 11.378 1.00 0.00 N ATOM 783 CA SER A 51 12.417 -5.108 11.320 1.00 0.00 C ATOM 784 C SER A 51 11.113 -4.608 10.697 1.00 0.00 C ATOM 785 O SER A 51 10.654 -5.148 9.691 1.00 0.00 O ATOM 786 CB SER A 51 12.152 -5.685 12.712 1.00 0.00 C ATOM 787 OG SER A 51 11.073 -6.616 12.708 1.00 0.00 O ATOM 0 H SER A 51 13.974 -4.026 12.211 1.00 0.00 H new ATOM 0 HA SER A 51 12.828 -5.903 10.698 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.053 -6.176 13.078 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.928 -4.873 13.404 1.00 0.00 H new ATOM 0 HG SER A 51 10.937 -6.963 13.614 1.00 0.00 H new ATOM 793 N GLN A 52 10.551 -3.582 11.319 1.00 0.00 N ATOM 794 CA GLN A 52 9.309 -3.003 10.837 1.00 0.00 C ATOM 795 C GLN A 52 9.432 -2.637 9.356 1.00 0.00 C ATOM 796 O GLN A 52 8.848 -3.298 8.499 1.00 0.00 O ATOM 797 CB GLN A 52 8.911 -1.784 11.672 1.00 0.00 C ATOM 798 CG GLN A 52 7.607 -2.040 12.430 1.00 0.00 C ATOM 799 CD GLN A 52 7.624 -3.415 13.100 1.00 0.00 C ATOM 800 OE1 GLN A 52 8.652 -3.915 13.525 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.430 -3.996 13.171 1.00 0.00 N ATOM 0 H GLN A 52 10.933 -3.137 12.153 1.00 0.00 H new ATOM 0 HA GLN A 52 8.520 -3.748 10.942 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.706 -1.548 12.379 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.794 -0.917 11.023 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.462 -1.266 13.184 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.764 -1.977 11.742 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.609 -3.522 12.795 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.335 -4.916 13.601 1.00 0.00 H new ATOM 810 N LYS A 53 10.197 -1.585 9.102 1.00 0.00 N ATOM 811 CA LYS A 53 10.405 -1.123 7.740 1.00 0.00 C ATOM 812 C LYS A 53 10.573 -2.331 6.816 1.00 0.00 C ATOM 813 O LYS A 53 10.065 -2.336 5.696 1.00 0.00 O ATOM 814 CB LYS A 53 11.573 -0.137 7.681 1.00 0.00 C ATOM 815 CG LYS A 53 11.231 1.162 8.413 1.00 0.00 C ATOM 816 CD LYS A 53 12.436 2.104 8.450 1.00 0.00 C ATOM 817 CE LYS A 53 11.995 3.549 8.690 1.00 0.00 C ATOM 818 NZ LYS A 53 12.943 4.493 8.056 1.00 0.00 N ATOM 0 H LYS A 53 10.680 -1.040 9.816 1.00 0.00 H new ATOM 0 HA LYS A 53 9.534 -0.571 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.458 -0.589 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.818 0.081 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.395 1.654 7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.910 0.937 9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.121 1.793 9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.983 2.038 7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.995 3.702 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.939 3.745 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.629 5.469 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.891 4.358 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.976 4.316 7.032 1.00 0.00 H new ATOM 832 N GLU A 54 11.287 -3.327 7.321 1.00 0.00 N ATOM 833 CA GLU A 54 11.528 -4.538 6.555 1.00 0.00 C ATOM 834 C GLU A 54 10.208 -5.256 6.267 1.00 0.00 C ATOM 835 O GLU A 54 9.833 -5.431 5.109 1.00 0.00 O ATOM 836 CB GLU A 54 12.507 -5.461 7.283 1.00 0.00 C ATOM 837 CG GLU A 54 13.947 -5.193 6.840 1.00 0.00 C ATOM 838 CD GLU A 54 14.324 -6.067 5.642 1.00 0.00 C ATOM 839 OE1 GLU A 54 14.085 -7.290 5.735 1.00 0.00 O ATOM 840 OE2 GLU A 54 14.843 -5.492 4.661 1.00 0.00 O ATOM 0 H GLU A 54 11.706 -3.320 8.251 1.00 0.00 H new ATOM 0 HA GLU A 54 11.982 -4.259 5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.420 -5.312 8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.249 -6.501 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.061 -4.141 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.629 -5.390 7.667 1.00 0.00 H new ATOM 847 N HIS A 55 9.540 -5.651 7.341 1.00 0.00 N ATOM 848 CA HIS A 55 8.270 -6.346 7.218 1.00 0.00 C ATOM 849 C HIS A 55 7.341 -5.557 6.294 1.00 0.00 C ATOM 850 O HIS A 55 7.038 -6.000 5.187 1.00 0.00 O ATOM 851 CB HIS A 55 7.657 -6.604 8.596 1.00 0.00 C ATOM 852 CG HIS A 55 6.549 -7.630 8.593 1.00 0.00 C ATOM 853 ND1 HIS A 55 5.308 -7.604 9.158 1.00 0.00 N flip ATOM 854 CD2 HIS A 55 6.660 -8.852 7.952 1.00 0.00 C flip ATOM 855 CE1 HIS A 55 4.694 -8.747 8.877 1.00 0.00 C flip ATOM 856 NE2 HIS A 55 5.531 -9.522 8.130 1.00 0.00 N flip ATOM 0 H HIS A 55 9.854 -5.503 8.300 1.00 0.00 H new ATOM 0 HA HIS A 55 8.429 -7.325 6.766 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.442 -6.935 9.276 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.268 -5.665 8.991 1.00 0.00 H new ATOM 0 HD1 HIS A 55 4.918 -6.836 9.704 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.521 -9.200 7.400 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.696 -9.018 9.189 1.00 0.00 H new ATOM 864 N TYR A 56 6.914 -4.402 6.782 1.00 0.00 N ATOM 865 CA TYR A 56 6.025 -3.548 6.014 1.00 0.00 C ATOM 866 C TYR A 56 6.448 -3.497 4.545 1.00 0.00 C ATOM 867 O TYR A 56 5.619 -3.273 3.663 1.00 0.00 O ATOM 868 CB TYR A 56 6.157 -2.149 6.619 1.00 0.00 C ATOM 869 CG TYR A 56 5.392 -1.964 7.931 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.143 -2.530 8.088 1.00 0.00 C ATOM 871 CD2 TYR A 56 5.950 -1.230 8.958 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.423 -2.356 9.322 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.230 -1.055 10.193 1.00 0.00 C ATOM 874 CZ TYR A 56 4.002 -1.627 10.314 1.00 0.00 C ATOM 875 OH TYR A 56 3.321 -1.462 11.480 1.00 0.00 O ATOM 0 H TYR A 56 7.167 -4.038 7.700 1.00 0.00 H new ATOM 0 HA TYR A 56 5.003 -3.925 6.052 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.212 -1.937 6.793 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.800 -1.416 5.896 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.706 -3.104 7.284 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.927 -0.787 8.835 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.445 -2.794 9.457 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.655 -0.483 11.004 1.00 0.00 H new ATOM 0 HH TYR A 56 3.856 -0.921 12.097 1.00 0.00 H new ATOM 885 N LYS A 57 7.738 -3.708 4.326 1.00 0.00 N ATOM 886 CA LYS A 57 8.281 -3.689 2.978 1.00 0.00 C ATOM 887 C LYS A 57 8.078 -5.061 2.332 1.00 0.00 C ATOM 888 O LYS A 57 7.658 -5.152 1.179 1.00 0.00 O ATOM 889 CB LYS A 57 9.739 -3.227 2.995 1.00 0.00 C ATOM 890 CG LYS A 57 10.434 -3.557 1.673 1.00 0.00 C ATOM 891 CD LYS A 57 11.919 -3.189 1.726 1.00 0.00 C ATOM 892 CE LYS A 57 12.763 -4.382 2.177 1.00 0.00 C ATOM 893 NZ LYS A 57 13.724 -4.766 1.119 1.00 0.00 N ATOM 0 H LYS A 57 8.423 -3.893 5.059 1.00 0.00 H new ATOM 0 HA LYS A 57 7.748 -2.964 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.782 -2.153 3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.267 -3.709 3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.327 -4.620 1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.951 -3.016 0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.250 -2.856 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.066 -2.355 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.301 -4.130 3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.114 -5.226 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.289 -5.577 1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.205 -5.026 0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.354 -3.964 0.915 1.00 0.00 H new ATOM 907 N LYS A 58 8.386 -6.094 3.102 1.00 0.00 N ATOM 908 CA LYS A 58 8.243 -7.457 2.618 1.00 0.00 C ATOM 909 C LYS A 58 6.767 -7.738 2.329 1.00 0.00 C ATOM 910 O LYS A 58 6.437 -8.373 1.329 1.00 0.00 O ATOM 911 CB LYS A 58 8.875 -8.443 3.602 1.00 0.00 C ATOM 912 CG LYS A 58 7.854 -8.914 4.639 1.00 0.00 C ATOM 913 CD LYS A 58 6.960 -10.016 4.068 1.00 0.00 C ATOM 914 CE LYS A 58 6.449 -10.938 5.177 1.00 0.00 C ATOM 915 NZ LYS A 58 5.807 -12.139 4.598 1.00 0.00 N ATOM 0 H LYS A 58 8.734 -6.015 4.058 1.00 0.00 H new ATOM 0 HA LYS A 58 8.783 -7.587 1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.269 -9.302 3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.718 -7.970 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.373 -9.284 5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.240 -8.072 4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.115 -9.569 3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.518 -10.598 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.277 -11.236 5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.735 -10.403 5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.466 -12.754 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.005 -11.851 4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.499 -12.658 4.020 1.00 0.00 H new ATOM 929 N LEU A 59 5.918 -7.251 3.223 1.00 0.00 N ATOM 930 CA LEU A 59 4.485 -7.442 3.076 1.00 0.00 C ATOM 931 C LEU A 59 4.023 -6.812 1.761 1.00 0.00 C ATOM 932 O LEU A 59 3.278 -7.429 1.001 1.00 0.00 O ATOM 933 CB LEU A 59 3.745 -6.912 4.305 1.00 0.00 C ATOM 934 CG LEU A 59 4.031 -7.633 5.624 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.475 -6.846 6.812 1.00 0.00 C ATOM 936 CD2 LEU A 59 3.503 -9.069 5.589 1.00 0.00 C ATOM 0 H LEU A 59 6.195 -6.725 4.051 1.00 0.00 H new ATOM 0 HA LEU A 59 4.246 -8.504 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.995 -5.858 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.674 -6.965 4.110 1.00 0.00 H new ATOM 0 HG LEU A 59 5.112 -7.690 5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.692 -7.381 7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.940 -5.861 6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.396 -6.735 6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.719 -9.559 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.426 -9.057 5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.988 -9.615 4.780 1.00 0.00 H new ATOM 948 N ALA A 60 4.485 -5.592 1.532 1.00 0.00 N ATOM 949 CA ALA A 60 4.128 -4.871 0.321 1.00 0.00 C ATOM 950 C ALA A 60 4.365 -5.773 -0.892 1.00 0.00 C ATOM 951 O ALA A 60 3.538 -5.827 -1.800 1.00 0.00 O ATOM 952 CB ALA A 60 4.930 -3.570 0.247 1.00 0.00 C ATOM 0 H ALA A 60 5.104 -5.084 2.164 1.00 0.00 H new ATOM 0 HA ALA A 60 3.072 -4.602 0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.663 -3.029 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.704 -2.953 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.995 -3.800 0.232 1.00 0.00 H new ATOM 958 N GLU A 61 5.499 -6.458 -0.867 1.00 0.00 N ATOM 959 CA GLU A 61 5.855 -7.355 -1.954 1.00 0.00 C ATOM 960 C GLU A 61 4.818 -8.473 -2.081 1.00 0.00 C ATOM 961 O GLU A 61 4.493 -8.900 -3.188 1.00 0.00 O ATOM 962 CB GLU A 61 7.258 -7.929 -1.753 1.00 0.00 C ATOM 963 CG GLU A 61 8.226 -6.852 -1.259 1.00 0.00 C ATOM 964 CD GLU A 61 7.883 -5.488 -1.863 1.00 0.00 C ATOM 965 OE1 GLU A 61 8.261 -5.275 -3.035 1.00 0.00 O ATOM 966 OE2 GLU A 61 7.251 -4.690 -1.138 1.00 0.00 O ATOM 0 H GLU A 61 6.183 -6.410 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 61 5.861 -6.785 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.220 -8.747 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.622 -8.347 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.186 -6.793 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.247 -7.126 -1.526 1.00 0.00 H new ATOM 973 N GLU A 62 4.326 -8.914 -0.933 1.00 0.00 N ATOM 974 CA GLU A 62 3.333 -9.974 -0.902 1.00 0.00 C ATOM 975 C GLU A 62 1.984 -9.452 -1.402 1.00 0.00 C ATOM 976 O GLU A 62 1.314 -10.113 -2.194 1.00 0.00 O ATOM 977 CB GLU A 62 3.205 -10.565 0.503 1.00 0.00 C ATOM 978 CG GLU A 62 1.981 -11.478 0.605 1.00 0.00 C ATOM 979 CD GLU A 62 2.383 -12.885 1.053 1.00 0.00 C ATOM 980 OE1 GLU A 62 3.220 -13.488 0.347 1.00 0.00 O ATOM 981 OE2 GLU A 62 1.843 -13.326 2.090 1.00 0.00 O ATOM 0 H GLU A 62 4.597 -8.556 -0.017 1.00 0.00 H new ATOM 0 HA GLU A 62 3.662 -10.772 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.105 -11.129 0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.125 -9.760 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.267 -11.057 1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.480 -11.529 -0.361 1.00 0.00 H new ATOM 988 N GLN A 63 1.627 -8.271 -0.919 1.00 0.00 N ATOM 989 CA GLN A 63 0.371 -7.653 -1.307 1.00 0.00 C ATOM 990 C GLN A 63 0.308 -7.487 -2.827 1.00 0.00 C ATOM 991 O GLN A 63 -0.740 -7.700 -3.435 1.00 0.00 O ATOM 992 CB GLN A 63 0.179 -6.309 -0.601 1.00 0.00 C ATOM 993 CG GLN A 63 -1.010 -6.360 0.361 1.00 0.00 C ATOM 994 CD GLN A 63 -2.333 -6.400 -0.406 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.580 -7.270 -1.224 1.00 0.00 O ATOM 996 NE2 GLN A 63 -3.168 -5.412 -0.096 1.00 0.00 N ATOM 0 H GLN A 63 2.186 -7.726 -0.262 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.444 -8.308 -0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.084 -6.050 -0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.019 -5.525 -1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.929 -7.240 0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.991 -5.488 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.898 -4.716 0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.078 -5.351 -0.553 1.00 0.00 H new ATOM 1005 N GLN A 64 1.442 -7.109 -3.397 1.00 0.00 N ATOM 1006 CA GLN A 64 1.529 -6.912 -4.834 1.00 0.00 C ATOM 1007 C GLN A 64 1.651 -8.260 -5.547 1.00 0.00 C ATOM 1008 O GLN A 64 1.463 -8.344 -6.760 1.00 0.00 O ATOM 1009 CB GLN A 64 2.700 -5.995 -5.192 1.00 0.00 C ATOM 1010 CG GLN A 64 2.564 -4.637 -4.499 1.00 0.00 C ATOM 1011 CD GLN A 64 3.778 -3.751 -4.787 1.00 0.00 C ATOM 1012 OE1 GLN A 64 3.826 -3.017 -5.760 1.00 0.00 O ATOM 1013 NE2 GLN A 64 4.753 -3.861 -3.889 1.00 0.00 N ATOM 0 H GLN A 64 2.309 -6.934 -2.889 1.00 0.00 H new ATOM 0 HA GLN A 64 0.614 -6.426 -5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.638 -6.465 -4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.739 -5.854 -6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.657 -4.139 -4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.462 -4.782 -3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.648 -4.495 -3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.606 -3.311 -3.992 1.00 0.00 H new ATOM 1022 N ARG A 65 1.965 -9.282 -4.764 1.00 0.00 N ATOM 1023 CA ARG A 65 2.114 -10.622 -5.307 1.00 0.00 C ATOM 1024 C ARG A 65 0.744 -11.283 -5.471 1.00 0.00 C ATOM 1025 O ARG A 65 0.515 -12.013 -6.435 1.00 0.00 O ATOM 1026 CB ARG A 65 2.985 -11.490 -4.397 1.00 0.00 C ATOM 1027 CG ARG A 65 2.590 -12.965 -4.504 1.00 0.00 C ATOM 1028 CD ARG A 65 3.691 -13.869 -3.945 1.00 0.00 C ATOM 1029 NE ARG A 65 3.096 -15.099 -3.378 1.00 0.00 N ATOM 1030 CZ ARG A 65 3.810 -16.132 -2.909 1.00 0.00 C ATOM 1031 NH1 ARG A 65 5.149 -16.088 -2.936 1.00 0.00 N ATOM 1032 NH2 ARG A 65 3.184 -17.208 -2.412 1.00 0.00 N ATOM 0 H ARG A 65 2.120 -9.209 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 65 2.598 -10.534 -6.280 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.034 -11.370 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.883 -11.157 -3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.662 -13.137 -3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.400 -13.220 -5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.397 -14.127 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.253 -13.339 -3.176 1.00 0.00 H new ATOM 0 HE ARG A 65 2.079 -15.165 -3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.625 -15.269 -3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.692 -16.874 -2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.165 -17.241 -2.391 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.727 -17.994 -2.055 1.00 0.00 H new ATOM 1046 N GLN A 66 -0.131 -11.004 -4.516 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.472 -11.563 -4.544 1.00 0.00 C ATOM 1048 C GLN A 66 -2.351 -10.787 -5.527 1.00 0.00 C ATOM 1049 O GLN A 66 -3.113 -11.382 -6.287 1.00 0.00 O ATOM 1050 CB GLN A 66 -2.091 -11.571 -3.144 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.143 -12.213 -2.129 1.00 0.00 C ATOM 1052 CD GLN A 66 -1.900 -12.651 -0.873 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -2.307 -13.792 -0.729 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -2.064 -11.683 0.024 1.00 0.00 N ATOM 0 H GLN A 66 0.062 -10.398 -3.718 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.407 -12.597 -4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.320 -10.550 -2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.034 -12.117 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.651 -13.074 -2.580 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.361 -11.504 -1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.698 -10.749 -0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.556 -11.874 0.897 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.215 -9.470 -5.481 1.00 0.00 N ATOM 1064 CA TYR A 67 -2.986 -8.607 -6.358 1.00 0.00 C ATOM 1065 C TYR A 67 -2.814 -9.017 -7.822 1.00 0.00 C ATOM 1066 O TYR A 67 -3.656 -8.704 -8.662 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.422 -7.198 -6.167 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.852 -6.203 -7.246 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -2.372 -6.331 -8.534 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.721 -5.177 -6.933 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -2.776 -5.394 -9.550 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -4.126 -4.241 -7.949 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.634 -4.395 -9.207 1.00 0.00 C ATOM 1074 OH TYR A 67 -4.016 -3.511 -10.167 1.00 0.00 O ATOM 0 H TYR A 67 -1.582 -8.980 -4.849 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.048 -8.669 -6.119 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.736 -6.821 -5.194 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.333 -7.253 -6.151 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.693 -7.134 -8.780 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.097 -5.077 -5.926 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.407 -5.482 -10.561 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.806 -3.434 -7.717 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.631 -2.853 -9.780 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.716 -9.712 -8.083 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.422 -10.169 -9.431 1.00 0.00 C ATOM 1086 C LYS A 68 -2.422 -11.258 -9.825 1.00 0.00 C ATOM 1087 O LYS A 68 -3.055 -11.173 -10.876 1.00 0.00 O ATOM 1088 CB LYS A 68 0.039 -10.607 -9.541 1.00 0.00 C ATOM 1089 CG LYS A 68 0.978 -9.399 -9.510 1.00 0.00 C ATOM 1090 CD LYS A 68 1.275 -8.899 -10.925 1.00 0.00 C ATOM 1091 CE LYS A 68 1.931 -7.517 -10.892 1.00 0.00 C ATOM 1092 NZ LYS A 68 3.344 -7.604 -11.324 1.00 0.00 N ATOM 0 H LYS A 68 -1.019 -9.970 -7.384 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.541 -9.353 -10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.283 -11.282 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.187 -11.163 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.527 -8.598 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.910 -9.671 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.931 -9.605 -11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.350 -8.853 -11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.387 -6.834 -11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.877 -7.106 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.775 -6.658 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.864 -8.240 -10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.388 -7.976 -12.294 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.533 -12.256 -8.960 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.445 -13.360 -9.205 1.00 0.00 C ATOM 1108 C VAL A 69 -4.887 -12.865 -9.070 1.00 0.00 C ATOM 1109 O VAL A 69 -5.752 -13.239 -9.861 1.00 0.00 O ATOM 1110 CB VAL A 69 -3.123 -14.523 -8.264 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.618 -14.615 -8.001 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -3.902 -14.400 -6.953 1.00 0.00 C ATOM 0 H VAL A 69 -2.006 -12.323 -8.089 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.324 -13.737 -10.221 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.435 -15.446 -8.753 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.416 -15.450 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.093 -14.772 -8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.271 -13.689 -7.543 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.655 -15.239 -6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.636 -13.466 -6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.972 -14.407 -7.163 1.00 0.00 H new ATOM 1122 N HIS A 70 -5.100 -12.030 -8.064 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.422 -11.479 -7.816 1.00 0.00 C ATOM 1124 C HIS A 70 -7.003 -10.932 -9.121 1.00 0.00 C ATOM 1125 O HIS A 70 -8.196 -11.075 -9.382 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.374 -10.431 -6.703 1.00 0.00 C ATOM 1127 CG HIS A 70 -5.992 -10.987 -5.352 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -5.537 -12.222 -4.992 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -6.061 -10.242 -4.188 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -5.338 -12.230 -3.680 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -5.663 -11.004 -3.179 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.380 -11.721 -7.411 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.088 -12.267 -7.465 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.661 -9.654 -6.980 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.351 -9.954 -6.625 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.384 -9.214 -4.114 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.978 -13.069 -3.104 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.609 -10.723 -2.200 1.00 0.00 H new ATOM 1139 N LEU A 71 -6.132 -10.316 -9.907 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.543 -9.746 -11.178 1.00 0.00 C ATOM 1141 C LEU A 71 -7.019 -10.867 -12.105 1.00 0.00 C ATOM 1142 O LEU A 71 -7.991 -10.699 -12.840 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.420 -8.893 -11.772 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.859 -7.636 -12.525 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -6.800 -6.785 -11.670 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -4.648 -6.838 -13.012 1.00 0.00 C ATOM 0 H LEU A 71 -5.143 -10.199 -9.688 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.385 -9.069 -11.036 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.752 -8.594 -10.964 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.839 -9.516 -12.452 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.418 -7.945 -13.408 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.097 -5.898 -12.229 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.686 -7.367 -11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.288 -6.484 -10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.988 -5.949 -13.544 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.041 -6.539 -12.157 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.051 -7.456 -13.682 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.312 -11.986 -12.039 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.650 -13.134 -12.862 1.00 0.00 C ATOM 1160 C ASP A 72 -7.951 -13.757 -12.352 1.00 0.00 C ATOM 1161 O ASP A 72 -8.858 -14.038 -13.134 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.557 -14.202 -12.794 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.754 -14.388 -14.083 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.293 -14.014 -15.147 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -3.618 -14.900 -13.975 1.00 0.00 O ATOM 0 H ASP A 72 -5.507 -12.122 -11.428 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.756 -12.791 -13.891 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.869 -13.945 -11.989 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.016 -15.154 -12.529 1.00 0.00 H new ATOM 1170 N LEU A 73 -8.002 -13.955 -11.043 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.176 -14.540 -10.418 1.00 0.00 C ATOM 1172 C LEU A 73 -10.413 -13.727 -10.808 1.00 0.00 C ATOM 1173 O LEU A 73 -11.498 -14.282 -10.974 1.00 0.00 O ATOM 1174 CB LEU A 73 -8.974 -14.665 -8.907 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.653 -15.294 -8.458 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -7.742 -15.779 -7.009 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -7.225 -16.411 -9.411 1.00 0.00 C ATOM 0 H LEU A 73 -7.248 -13.720 -10.397 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.333 -15.556 -10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.049 -13.671 -8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.793 -15.257 -8.498 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.880 -14.527 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.791 -16.222 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.967 -14.936 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.532 -16.525 -6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.284 -16.841 -9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.991 -17.186 -9.431 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.095 -16.004 -10.414 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.208 -12.425 -10.942 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.292 -11.530 -11.308 1.00 0.00 C ATOM 1191 C TRP A 74 -11.672 -11.818 -12.762 1.00 0.00 C ATOM 1192 O TRP A 74 -12.843 -11.732 -13.130 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.902 -10.070 -11.070 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.755 -9.064 -11.846 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.918 -8.509 -11.477 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.462 -8.512 -13.147 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.394 -7.644 -12.440 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.481 -7.645 -13.488 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.373 -8.737 -14.007 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.511 -6.934 -14.694 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.418 -8.019 -15.208 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.436 -7.143 -15.567 1.00 0.00 C ATOM 0 H TRP A 74 -9.307 -11.968 -10.804 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.165 -11.704 -10.679 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.981 -9.852 -10.005 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.856 -9.934 -11.347 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.419 -8.714 -10.543 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.257 -7.103 -12.392 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.565 -9.411 -13.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -13.320 -6.261 -14.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.604 -8.155 -15.905 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.398 -6.626 -16.515 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.661 -12.154 -13.549 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.874 -12.455 -14.954 1.00 0.00 C ATOM 1215 C VAL A 75 -11.648 -13.770 -15.078 1.00 0.00 C ATOM 1216 O VAL A 75 -12.472 -13.927 -15.977 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.535 -12.477 -15.694 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.688 -13.095 -17.085 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.933 -11.074 -15.780 1.00 0.00 C ATOM 0 H VAL A 75 -9.691 -12.224 -13.240 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.476 -11.678 -15.424 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.847 -13.102 -15.124 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.722 -13.099 -17.590 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.052 -14.118 -16.991 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.399 -12.509 -17.667 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.982 -11.118 -16.311 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.617 -10.417 -16.316 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.770 -10.686 -14.775 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.354 -14.680 -14.161 1.00 0.00 N ATOM 1230 CA LYS A 76 -12.011 -15.976 -14.157 1.00 0.00 C ATOM 1231 C LYS A 76 -13.492 -15.790 -13.821 1.00 0.00 C ATOM 1232 O LYS A 76 -14.298 -16.696 -14.030 1.00 0.00 O ATOM 1233 CB LYS A 76 -11.284 -16.942 -13.218 1.00 0.00 C ATOM 1234 CG LYS A 76 -10.164 -17.681 -13.953 1.00 0.00 C ATOM 1235 CD LYS A 76 -9.026 -18.041 -12.997 1.00 0.00 C ATOM 1236 CE LYS A 76 -7.812 -17.139 -13.226 1.00 0.00 C ATOM 1237 NZ LYS A 76 -6.598 -17.952 -13.463 1.00 0.00 N ATOM 0 H LYS A 76 -10.670 -14.546 -13.416 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.962 -16.432 -15.146 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.869 -16.391 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.994 -17.662 -12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.560 -18.588 -14.410 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.781 -17.058 -14.761 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.367 -17.943 -11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.741 -19.083 -13.141 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.992 -16.487 -14.081 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.662 -16.495 -12.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.784 -17.323 -13.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.418 -18.556 -12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.738 -18.548 -14.303 1.00 0.00 H new ATOM 1251 N SER A 77 -13.806 -14.611 -13.306 1.00 0.00 N ATOM 1252 CA SER A 77 -15.176 -14.295 -12.940 1.00 0.00 C ATOM 1253 C SER A 77 -15.814 -13.410 -14.013 1.00 0.00 C ATOM 1254 O SER A 77 -16.925 -12.913 -13.833 1.00 0.00 O ATOM 1255 CB SER A 77 -15.236 -13.603 -11.577 1.00 0.00 C ATOM 1256 OG SER A 77 -16.518 -13.734 -10.967 1.00 0.00 O ATOM 0 H SER A 77 -13.135 -13.862 -13.133 1.00 0.00 H new ATOM 0 HA SER A 77 -15.735 -15.228 -12.869 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.477 -14.029 -10.921 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.998 -12.546 -11.696 1.00 0.00 H new ATOM 0 HG SER A 77 -17.215 -13.510 -11.619 1.00 0.00 H new ATOM 1262 N LEU A 78 -15.084 -13.241 -15.106 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.565 -12.425 -16.208 1.00 0.00 C ATOM 1264 C LEU A 78 -16.309 -13.312 -17.207 1.00 0.00 C ATOM 1265 O LEU A 78 -15.967 -14.481 -17.380 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.414 -11.631 -16.829 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.953 -10.398 -16.050 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.839 -9.662 -16.798 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -15.133 -9.478 -15.730 1.00 0.00 C ATOM 0 H LEU A 78 -14.163 -13.655 -15.252 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.277 -11.682 -15.849 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.562 -12.299 -16.950 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.715 -11.314 -17.828 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.537 -10.731 -15.099 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.529 -8.789 -16.223 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.988 -10.330 -16.931 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.205 -9.342 -17.773 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.777 -8.609 -15.176 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.601 -9.150 -16.658 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.863 -10.019 -15.128 1.00 0.00 H new ATOM 1281 N SER A 79 -17.314 -12.724 -17.839 1.00 0.00 N ATOM 1282 CA SER A 79 -18.110 -13.446 -18.817 1.00 0.00 C ATOM 1283 C SER A 79 -17.304 -13.647 -20.102 1.00 0.00 C ATOM 1284 O SER A 79 -16.154 -13.221 -20.190 1.00 0.00 O ATOM 1285 CB SER A 79 -19.416 -12.708 -19.118 1.00 0.00 C ATOM 1286 OG SER A 79 -19.664 -11.660 -18.186 1.00 0.00 O ATOM 0 H SER A 79 -17.596 -11.755 -17.693 1.00 0.00 H new ATOM 0 HA SER A 79 -18.364 -14.420 -18.399 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.375 -12.295 -20.126 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.245 -13.415 -19.097 1.00 0.00 H new ATOM 0 HG SER A 79 -20.506 -11.212 -18.413 1.00 0.00 H new ATOM 1292 N PRO A 80 -17.958 -14.312 -21.092 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.315 -14.574 -22.368 1.00 0.00 C ATOM 1294 C PRO A 80 -17.247 -13.304 -23.219 1.00 0.00 C ATOM 1295 O PRO A 80 -16.503 -13.246 -24.197 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.146 -15.674 -23.009 1.00 0.00 C ATOM 1297 CG PRO A 80 -19.482 -15.663 -22.284 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.321 -14.830 -21.023 1.00 0.00 C ATOM 0 HA PRO A 80 -16.277 -14.889 -22.259 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.279 -15.492 -24.075 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.656 -16.642 -22.910 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.259 -15.243 -22.922 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -19.789 -16.679 -22.034 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.051 -14.021 -20.987 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.470 -15.434 -20.128 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.034 -12.317 -22.816 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.073 -11.052 -23.529 1.00 0.00 C ATOM 1308 C GLN A 81 -17.095 -10.058 -22.899 1.00 0.00 C ATOM 1309 O GLN A 81 -16.259 -9.480 -23.593 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.492 -10.481 -23.556 1.00 0.00 C ATOM 1311 CG GLN A 81 -19.481 -9.001 -23.944 1.00 0.00 C ATOM 1312 CD GLN A 81 -20.808 -8.592 -24.586 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -21.762 -8.224 -23.921 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -20.815 -8.678 -25.914 1.00 0.00 N ATOM 0 H GLN A 81 -18.650 -12.368 -22.004 1.00 0.00 H new ATOM 0 HA GLN A 81 -17.768 -11.229 -24.560 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.100 -11.042 -24.266 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.954 -10.600 -22.576 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.298 -8.391 -23.059 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.663 -8.810 -24.638 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -19.981 -8.994 -26.409 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.654 -8.428 -26.437 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.231 -9.889 -21.592 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.369 -8.975 -20.862 1.00 0.00 C ATOM 1325 C ASP A 82 -14.907 -9.353 -21.108 1.00 0.00 C ATOM 1326 O ASP A 82 -14.118 -8.528 -21.565 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.631 -9.056 -19.357 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.845 -8.262 -18.868 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -18.512 -7.656 -19.734 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -18.078 -8.280 -17.640 1.00 0.00 O ATOM 0 H ASP A 82 -17.925 -10.370 -21.020 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.577 -7.964 -21.211 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.766 -10.102 -19.083 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.746 -8.699 -18.830 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.590 -10.600 -20.794 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.237 -11.097 -20.975 1.00 0.00 C ATOM 1337 C ARG A 83 -12.775 -10.865 -22.415 1.00 0.00 C ATOM 1338 O ARG A 83 -11.659 -10.402 -22.646 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.151 -12.591 -20.653 1.00 0.00 C ATOM 1340 CG ARG A 83 -11.821 -12.930 -19.977 1.00 0.00 C ATOM 1341 CD ARG A 83 -11.930 -14.225 -19.170 1.00 0.00 C ATOM 1342 NE ARG A 83 -10.805 -15.126 -19.504 1.00 0.00 N ATOM 1343 CZ ARG A 83 -10.772 -15.919 -20.584 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -11.801 -15.926 -21.441 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -9.709 -16.704 -20.807 1.00 0.00 N ATOM 0 H ARG A 83 -15.247 -11.282 -20.415 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.589 -10.552 -20.289 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.977 -12.874 -20.001 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.255 -13.171 -21.570 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.041 -13.032 -20.732 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.524 -12.112 -19.320 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.922 -14.000 -18.103 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.878 -14.718 -19.385 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.004 -15.145 -18.873 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.610 -15.328 -21.272 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.776 -16.529 -22.263 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.925 -16.698 -20.155 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.684 -17.307 -21.629 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.656 -11.199 -23.347 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.353 -11.033 -24.758 1.00 0.00 C ATOM 1361 C ALA A 84 -12.699 -9.667 -24.977 1.00 0.00 C ATOM 1362 O ALA A 84 -11.642 -9.574 -25.599 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.632 -11.205 -25.579 1.00 0.00 C ATOM 0 H ALA A 84 -14.580 -11.584 -23.152 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.647 -11.794 -25.091 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.404 -11.080 -26.638 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.041 -12.201 -25.411 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.363 -10.456 -25.275 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.355 -8.642 -24.454 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.851 -7.285 -24.585 1.00 0.00 C ATOM 1371 C ALA A 85 -11.534 -7.159 -23.816 1.00 0.00 C ATOM 1372 O ALA A 85 -10.491 -6.878 -24.405 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.910 -6.297 -24.093 1.00 0.00 C ATOM 0 H ALA A 85 -14.231 -8.724 -23.939 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.647 -7.050 -25.630 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.532 -5.279 -24.191 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.815 -6.407 -24.690 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.138 -6.500 -23.047 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.624 -7.373 -22.511 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.453 -7.287 -21.656 1.00 0.00 C ATOM 1381 C TYR A 86 -9.243 -7.954 -22.313 1.00 0.00 C ATOM 1382 O TYR A 86 -8.170 -7.359 -22.393 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.808 -8.048 -20.377 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.706 -8.030 -19.316 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -9.515 -6.906 -18.538 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.903 -9.138 -19.137 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -8.478 -6.889 -17.539 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.865 -9.121 -18.138 1.00 0.00 C ATOM 1389 CZ TYR A 86 -7.704 -7.998 -17.389 1.00 0.00 C ATOM 1390 OH TYR A 86 -6.724 -7.982 -16.446 1.00 0.00 O ATOM 0 H TYR A 86 -12.490 -7.606 -22.025 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.194 -6.246 -21.465 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.715 -7.619 -19.951 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.035 -9.083 -20.633 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.143 -6.039 -18.679 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.053 -10.018 -19.746 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.318 -6.016 -16.923 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.229 -9.981 -17.988 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.252 -8.841 -16.450 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.458 -9.180 -22.767 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.399 -9.934 -23.415 1.00 0.00 C ATOM 1402 C LYS A 87 -7.858 -9.131 -24.599 1.00 0.00 C ATOM 1403 O LYS A 87 -6.658 -9.153 -24.872 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.891 -11.333 -23.793 1.00 0.00 C ATOM 1405 CG LYS A 87 -8.089 -12.413 -23.064 1.00 0.00 C ATOM 1406 CD LYS A 87 -6.965 -12.953 -23.950 1.00 0.00 C ATOM 1407 CE LYS A 87 -7.030 -14.478 -24.050 1.00 0.00 C ATOM 1408 NZ LYS A 87 -6.542 -14.932 -25.371 1.00 0.00 N ATOM 0 H LYS A 87 -10.350 -9.670 -22.699 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.567 -10.089 -22.728 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.948 -11.430 -23.544 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.803 -11.475 -24.870 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.668 -12.001 -22.147 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.751 -13.228 -22.773 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.040 -12.516 -24.946 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.000 -12.653 -23.542 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.428 -14.926 -23.260 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.056 -14.815 -23.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.593 -15.969 -25.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.133 -14.519 -26.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.556 -14.627 -25.500 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.768 -8.442 -25.271 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.397 -7.633 -26.420 1.00 0.00 C ATOM 1424 C GLU A 88 -7.257 -6.681 -26.052 1.00 0.00 C ATOM 1425 O GLU A 88 -6.381 -6.410 -26.873 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.603 -6.862 -26.960 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.552 -5.395 -26.531 1.00 0.00 C ATOM 1428 CD GLU A 88 -10.847 -4.669 -26.905 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -10.959 -4.282 -28.087 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -11.695 -4.519 -25.999 1.00 0.00 O ATOM 0 H GLU A 88 -9.762 -8.427 -25.042 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.049 -8.297 -27.211 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.623 -6.926 -28.048 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.524 -7.319 -26.597 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.394 -5.332 -25.454 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.704 -4.902 -27.007 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.305 -6.199 -24.819 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.287 -5.283 -24.333 1.00 0.00 C ATOM 1439 C TYR A 89 -5.063 -6.045 -23.821 1.00 0.00 C ATOM 1440 O TYR A 89 -3.929 -5.616 -24.029 1.00 0.00 O ATOM 1441 CB TYR A 89 -6.925 -4.524 -23.168 1.00 0.00 C ATOM 1442 CG TYR A 89 -5.914 -3.928 -22.186 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -5.322 -2.711 -22.459 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -5.595 -4.607 -21.028 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -4.371 -2.151 -21.535 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -4.644 -4.046 -20.104 1.00 0.00 C ATOM 1447 CZ TYR A 89 -4.079 -2.845 -20.403 1.00 0.00 C ATOM 1448 OH TYR A 89 -3.180 -2.316 -19.530 1.00 0.00 O ATOM 0 H TYR A 89 -8.033 -6.426 -24.142 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.954 -4.620 -25.132 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.545 -3.721 -23.567 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.587 -5.200 -22.627 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.572 -2.180 -23.365 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.058 -5.559 -20.815 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.900 -1.200 -21.737 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.385 -4.567 -19.194 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.071 -2.921 -18.766 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.334 -7.161 -23.161 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.269 -7.987 -22.618 1.00 0.00 C ATOM 1460 C ILE A 90 -3.244 -8.276 -23.715 1.00 0.00 C ATOM 1461 O ILE A 90 -2.094 -7.850 -23.624 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.846 -9.246 -21.967 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.811 -8.885 -20.836 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.730 -10.178 -21.493 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -5.050 -8.556 -19.550 1.00 0.00 C ATOM 0 H ILE A 90 -6.276 -7.513 -22.990 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.744 -7.458 -21.823 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.420 -9.788 -22.719 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.420 -8.030 -21.131 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.494 -9.716 -20.657 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.167 -11.065 -21.034 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.117 -10.474 -22.344 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.109 -9.660 -20.762 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.759 -8.303 -18.762 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.461 -9.421 -19.244 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.386 -7.709 -19.726 1.00 0.00 H new