USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 760 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 3 HIS :FLIP no HD1:sc= -0.42 F(o=-1.3,f=-0.42) USER MOD Single : A 4 SER OG : rot -21:sc= 0.662 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.97! C(o=-3!,f=-3.1!) USER MOD Single : A 23 SER OG : rot 53:sc= 0.107 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -15:sc= 1.11 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -21:sc= 0.582 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.147 X(o=0.15,f=-0.01) USER MOD Single : A 51 THR OG1 : rot -0:sc= -1.96! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -94:sc= 0.417 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 141:sc= -0.0126 (180deg=-3.08!) USER MOD Single : A 65 LYS NZ :NH3+ -136:sc= -0.0195 (180deg=-1.1) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.203 F(o=-1.3,f=-0.2) USER MOD Single : A 87 HIS : no HD1:sc= -0.573 X(o=-0.57,f=-0.079) USER MOD Single : A 88 MET CE :methyl -138:sc= -1.34 (180deg=-2.15) USER MOD Single : A 90 SER OG : rot -86:sc= 0.847 USER MOD Single : A 92 ASN : amide:sc= -0.0163 K(o=-0.016,f=-3.2!) USER MOD Single : A 93 ASN : amide:sc= -1.88! C(o=-1.9!,f=-15!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -169:sc= -2.95 (180deg=-3.72!) USER MOD Single : A 99 ASN :FLIP amide:sc= -1.06 F(o=-2.6!,f=-1.1) USER MOD Single : A 101 LYS NZ :NH3+ 148:sc= 1.32 (180deg=1.13) USER MOD Single : A 102 MET CE :methyl 150:sc= -0.244 (180deg=-0.97) USER MOD Single : A 103 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 105 GLN :FLIP amide:sc= -0.287 F(o=-1.5,f=-0.29) USER MOD Single : A 106 GLN : amide:sc= 0.553 K(o=0.55,f=-0.018) USER MOD Single : A 109 SER OG : rot 87:sc= 0.0853 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.0548 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 14.606 -2.930 2.630 1.00 0.35 N ATOM 29 CA HIS A 3 14.050 -1.626 2.278 1.00 0.24 C ATOM 30 C HIS A 3 13.932 -1.501 0.763 1.00 0.16 C ATOM 31 O HIS A 3 13.851 -0.405 0.218 1.00 0.19 O ATOM 32 CB HIS A 3 14.932 -0.491 2.819 1.00 0.32 C ATOM 33 CG HIS A 3 14.910 -0.329 4.311 1.00 0.71 C ATOM 34 ND1 HIS A 3 14.297 0.594 5.089 1.00 1.12 N flip ATOM 35 CD2 HIS A 3 15.582 -1.165 5.176 1.00 1.43 C flip ATOM 36 CE1 HIS A 3 14.606 0.301 6.393 1.00 1.64 C flip ATOM 37 NE2 HIS A 3 15.381 -0.765 6.419 1.00 1.85 N flip ATOM 0 HA HIS A 3 13.061 -1.545 2.729 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.960 -0.667 2.503 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.614 0.446 2.362 1.00 0.32 H new ATOM 0 HD2 HIS A 3 16.180 -2.015 4.883 1.00 1.43 H new ATOM 0 HE1 HIS A 3 14.269 0.854 7.258 1.00 1.64 H new ATOM 0 HE2 HIS A 3 15.761 -1.206 7.257 1.00 1.85 H new ATOM 46 N SER A 4 13.928 -2.638 0.098 1.00 0.14 N ATOM 47 CA SER A 4 13.871 -2.708 -1.362 1.00 0.13 C ATOM 48 C SER A 4 13.444 -4.113 -1.781 1.00 0.15 C ATOM 49 O SER A 4 13.706 -5.080 -1.068 1.00 0.24 O ATOM 50 CB SER A 4 15.230 -2.376 -1.992 1.00 0.17 C ATOM 51 OG SER A 4 15.723 -1.119 -1.549 1.00 0.95 O ATOM 0 H SER A 4 13.964 -3.551 0.552 1.00 0.14 H new ATOM 0 HA SER A 4 13.147 -1.972 -1.713 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.948 -3.157 -1.741 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.135 -2.367 -3.078 1.00 0.17 H new ATOM 0 HG SER A 4 14.981 -0.579 -1.205 1.00 0.95 H new ATOM 57 N GLY A 5 12.781 -4.219 -2.920 1.00 0.14 N ATOM 58 CA GLY A 5 12.337 -5.506 -3.414 1.00 0.15 C ATOM 59 C GLY A 5 11.573 -5.362 -4.712 1.00 0.15 C ATOM 60 O GLY A 5 10.805 -4.420 -4.871 1.00 0.16 O ATOM 0 H GLY A 5 12.540 -3.429 -3.518 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.198 -6.156 -3.567 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.704 -5.986 -2.668 1.00 0.15 H new ATOM 64 N ALA A 6 11.784 -6.278 -5.643 1.00 0.16 N ATOM 65 CA ALA A 6 11.126 -6.201 -6.941 1.00 0.17 C ATOM 66 C ALA A 6 9.632 -6.521 -6.824 1.00 0.21 C ATOM 67 O ALA A 6 9.267 -7.612 -6.383 1.00 0.43 O ATOM 68 CB ALA A 6 11.787 -7.143 -7.932 1.00 0.21 C ATOM 0 H ALA A 6 12.402 -7.081 -5.527 1.00 0.16 H new ATOM 0 HA ALA A 6 11.228 -5.179 -7.306 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.282 -7.071 -8.895 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.835 -6.869 -8.051 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.719 -8.166 -7.562 1.00 0.21 H new ATOM 74 N ALA A 7 8.773 -5.585 -7.227 1.00 0.11 N ATOM 75 CA ALA A 7 7.323 -5.761 -7.101 1.00 0.12 C ATOM 76 C ALA A 7 6.592 -5.444 -8.399 1.00 0.12 C ATOM 77 O ALA A 7 7.098 -4.729 -9.255 1.00 0.13 O ATOM 78 CB ALA A 7 6.761 -4.881 -5.992 1.00 0.12 C ATOM 0 H ALA A 7 9.054 -4.697 -7.643 1.00 0.11 H new ATOM 0 HA ALA A 7 7.161 -6.811 -6.857 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.684 -5.031 -5.919 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.229 -5.147 -5.044 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.968 -3.835 -6.218 1.00 0.12 H new ATOM 84 N ILE A 8 5.391 -5.976 -8.515 1.00 0.15 N ATOM 85 CA ILE A 8 4.509 -5.716 -9.642 1.00 0.19 C ATOM 86 C ILE A 8 3.524 -4.624 -9.264 1.00 0.22 C ATOM 87 O ILE A 8 2.767 -4.770 -8.309 1.00 0.26 O ATOM 88 CB ILE A 8 3.714 -6.988 -10.051 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.612 -8.050 -10.707 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.569 -6.626 -10.982 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.569 -8.739 -9.756 1.00 0.25 C ATOM 0 H ILE A 8 4.993 -6.609 -7.822 1.00 0.15 H new ATOM 0 HA ILE A 8 5.124 -5.407 -10.487 1.00 0.19 H new ATOM 0 HB ILE A 8 3.311 -7.420 -9.135 1.00 0.23 H new ATOM 0 HG12 ILE A 8 3.979 -8.804 -11.175 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.188 -7.579 -11.503 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.024 -7.529 -11.257 1.00 0.29 H new ATOM 0 HG22 ILE A 8 1.894 -5.935 -10.477 1.00 0.29 H new ATOM 0 HG23 ILE A 8 2.966 -6.154 -11.881 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.162 -9.471 -10.304 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.231 -7.999 -9.306 1.00 0.25 H new ATOM 0 HD13 ILE A 8 5.003 -9.243 -8.973 1.00 0.25 H new ATOM 103 N PHE A 9 3.541 -3.538 -10.005 1.00 0.28 N ATOM 104 CA PHE A 9 2.655 -2.427 -9.729 1.00 0.34 C ATOM 105 C PHE A 9 1.811 -2.123 -10.956 1.00 0.46 C ATOM 106 O PHE A 9 2.333 -1.693 -11.981 1.00 0.52 O ATOM 107 CB PHE A 9 3.468 -1.204 -9.300 1.00 0.35 C ATOM 108 CG PHE A 9 2.670 0.057 -9.126 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.957 0.289 -7.963 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.654 1.020 -10.121 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.241 1.456 -7.798 1.00 0.45 C ATOM 112 CE2 PHE A 9 1.936 2.186 -9.961 1.00 0.56 C ATOM 113 CZ PHE A 9 1.229 2.405 -8.797 1.00 0.52 C ATOM 0 H PHE A 9 4.159 -3.400 -10.804 1.00 0.28 H new ATOM 0 HA PHE A 9 1.985 -2.691 -8.911 1.00 0.34 H new ATOM 0 HB2 PHE A 9 3.970 -1.431 -8.360 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.246 -1.025 -10.042 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.961 -0.451 -7.177 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.210 0.856 -11.032 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.689 1.626 -6.885 1.00 0.45 H new ATOM 0 HE2 PHE A 9 1.927 2.927 -10.746 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.667 3.318 -8.669 1.00 0.52 H new ATOM 123 N GLU A 10 0.511 -2.370 -10.843 1.00 0.58 N ATOM 124 CA GLU A 10 -0.419 -2.220 -11.960 1.00 0.73 C ATOM 125 C GLU A 10 -0.061 -3.192 -13.073 1.00 0.64 C ATOM 126 O GLU A 10 0.062 -2.823 -14.243 1.00 0.67 O ATOM 127 CB GLU A 10 -0.456 -0.783 -12.482 1.00 0.87 C ATOM 128 CG GLU A 10 -0.910 0.225 -11.441 1.00 0.98 C ATOM 129 CD GLU A 10 -1.229 1.580 -12.040 1.00 1.21 C ATOM 130 OE1 GLU A 10 -2.396 1.802 -12.432 1.00 1.46 O ATOM 131 OE2 GLU A 10 -0.322 2.432 -12.123 1.00 1.25 O ATOM 0 H GLU A 10 0.071 -2.680 -9.976 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.419 -2.453 -11.595 1.00 0.73 H new ATOM 0 HB2 GLU A 10 0.537 -0.507 -12.835 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -1.125 -0.733 -13.341 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -1.793 -0.159 -10.930 1.00 0.98 H new ATOM 0 HG3 GLU A 10 -0.131 0.340 -10.688 1.00 0.98 H new ATOM 138 N LYS A 11 0.133 -4.439 -12.663 1.00 0.58 N ATOM 139 CA LYS A 11 0.302 -5.581 -13.562 1.00 0.55 C ATOM 140 C LYS A 11 1.659 -5.597 -14.277 1.00 0.49 C ATOM 141 O LYS A 11 1.984 -6.566 -14.965 1.00 0.56 O ATOM 142 CB LYS A 11 -0.847 -5.647 -14.565 1.00 0.65 C ATOM 143 CG LYS A 11 -2.196 -5.537 -13.884 1.00 0.74 C ATOM 144 CD LYS A 11 -2.465 -6.686 -12.948 1.00 1.29 C ATOM 145 CE LYS A 11 -3.511 -6.319 -11.917 1.00 1.32 C ATOM 146 NZ LYS A 11 -3.683 -7.384 -10.895 1.00 1.91 N ATOM 0 H LYS A 11 0.179 -4.693 -11.676 1.00 0.58 H new ATOM 0 HA LYS A 11 0.282 -6.474 -12.937 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.741 -4.843 -15.293 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.794 -6.585 -15.117 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -2.243 -4.601 -13.328 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.979 -5.498 -14.641 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.801 -7.552 -13.518 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.541 -6.974 -12.446 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -3.226 -5.388 -11.426 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -4.463 -6.138 -12.415 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -4.408 -7.093 -10.209 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -3.980 -8.266 -11.359 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -2.781 -7.540 -10.401 1.00 1.91 H new ATOM 160 N VAL A 12 2.450 -4.542 -14.116 1.00 0.44 N ATOM 161 CA VAL A 12 3.810 -4.537 -14.640 1.00 0.42 C ATOM 162 C VAL A 12 4.805 -4.845 -13.527 1.00 0.35 C ATOM 163 O VAL A 12 4.729 -4.280 -12.436 1.00 0.30 O ATOM 164 CB VAL A 12 4.193 -3.201 -15.336 1.00 0.47 C ATOM 165 CG1 VAL A 12 3.595 -2.004 -14.625 1.00 0.47 C ATOM 166 CG2 VAL A 12 5.706 -3.062 -15.409 1.00 0.46 C ATOM 0 H VAL A 12 2.176 -3.687 -13.632 1.00 0.44 H new ATOM 0 HA VAL A 12 3.850 -5.314 -15.403 1.00 0.42 H new ATOM 0 HB VAL A 12 3.782 -3.226 -16.345 1.00 0.47 H new ATOM 0 HG11 VAL A 12 3.886 -1.090 -15.143 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.508 -2.088 -14.622 1.00 0.47 H new ATOM 0 HG13 VAL A 12 3.960 -1.971 -13.598 1.00 0.47 H new ATOM 0 HG21 VAL A 12 5.962 -2.122 -15.899 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.121 -3.071 -14.401 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.121 -3.893 -15.980 1.00 0.46 H new ATOM 176 N SER A 13 5.718 -5.763 -13.801 1.00 0.35 N ATOM 177 CA SER A 13 6.745 -6.127 -12.842 1.00 0.30 C ATOM 178 C SER A 13 7.860 -5.088 -12.833 1.00 0.28 C ATOM 179 O SER A 13 8.373 -4.696 -13.881 1.00 0.40 O ATOM 180 CB SER A 13 7.307 -7.515 -13.166 1.00 0.34 C ATOM 181 OG SER A 13 8.187 -7.963 -12.150 1.00 1.02 O ATOM 0 H SER A 13 5.767 -6.271 -14.684 1.00 0.35 H new ATOM 0 HA SER A 13 6.297 -6.157 -11.849 1.00 0.30 H new ATOM 0 HB2 SER A 13 6.487 -8.224 -13.279 1.00 0.34 H new ATOM 0 HB3 SER A 13 7.835 -7.483 -14.119 1.00 0.34 H new ATOM 0 HG SER A 13 8.529 -8.852 -12.382 1.00 1.02 H new ATOM 187 N GLY A 14 8.215 -4.640 -11.644 1.00 0.16 N ATOM 188 CA GLY A 14 9.255 -3.658 -11.492 1.00 0.14 C ATOM 189 C GLY A 14 9.988 -3.823 -10.186 1.00 0.12 C ATOM 190 O GLY A 14 10.030 -4.920 -9.637 1.00 0.14 O ATOM 0 H GLY A 14 7.792 -4.947 -10.768 1.00 0.16 H new ATOM 0 HA2 GLY A 14 9.960 -3.743 -12.319 1.00 0.14 H new ATOM 0 HA3 GLY A 14 8.823 -2.659 -11.543 1.00 0.14 H new ATOM 194 N ILE A 15 10.573 -2.750 -9.689 1.00 0.11 N ATOM 195 CA ILE A 15 11.311 -2.796 -8.445 1.00 0.12 C ATOM 196 C ILE A 15 10.773 -1.773 -7.468 1.00 0.10 C ATOM 197 O ILE A 15 10.208 -0.770 -7.864 1.00 0.08 O ATOM 198 CB ILE A 15 12.817 -2.551 -8.645 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.342 -3.327 -9.850 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.597 -2.936 -7.400 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.380 -4.827 -9.689 1.00 0.19 C ATOM 0 H ILE A 15 10.550 -1.832 -10.132 1.00 0.11 H new ATOM 0 HA ILE A 15 11.180 -3.802 -8.046 1.00 0.12 H new ATOM 0 HB ILE A 15 12.957 -1.486 -8.830 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.721 -3.087 -10.713 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.350 -2.977 -10.075 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.659 -2.754 -7.565 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.253 -2.338 -6.556 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.439 -3.993 -7.184 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.768 -5.281 -10.601 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.026 -5.087 -8.851 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.373 -5.198 -9.499 1.00 0.19 H new ATOM 213 N ILE A 16 10.945 -2.046 -6.199 1.00 0.13 N ATOM 214 CA ILE A 16 10.483 -1.168 -5.144 1.00 0.11 C ATOM 215 C ILE A 16 11.627 -0.848 -4.203 1.00 0.12 C ATOM 216 O ILE A 16 12.399 -1.729 -3.828 1.00 0.15 O ATOM 217 CB ILE A 16 9.309 -1.809 -4.369 1.00 0.12 C ATOM 218 CG1 ILE A 16 8.040 -1.015 -4.621 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.583 -1.890 -2.868 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.811 -1.654 -4.028 1.00 0.16 C ATOM 0 H ILE A 16 11.412 -2.888 -5.863 1.00 0.13 H new ATOM 0 HA ILE A 16 10.124 -0.243 -5.594 1.00 0.11 H new ATOM 0 HB ILE A 16 9.190 -2.830 -4.732 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.157 -0.014 -4.206 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.899 -0.900 -5.696 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.730 -2.347 -2.367 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.473 -2.494 -2.693 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.741 -0.887 -2.472 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.939 -1.036 -4.244 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.670 -2.644 -4.462 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.933 -1.745 -2.949 1.00 0.16 H new ATOM 232 N ALA A 17 11.773 0.416 -3.873 1.00 0.10 N ATOM 233 CA ALA A 17 12.775 0.822 -2.913 1.00 0.10 C ATOM 234 C ALA A 17 12.232 1.850 -1.932 1.00 0.08 C ATOM 235 O ALA A 17 11.947 2.981 -2.305 1.00 0.08 O ATOM 236 CB ALA A 17 14.000 1.349 -3.632 1.00 0.12 C ATOM 0 H ALA A 17 11.213 1.178 -4.254 1.00 0.10 H new ATOM 0 HA ALA A 17 13.060 -0.054 -2.331 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.749 1.652 -2.900 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.412 0.567 -4.270 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.722 2.207 -4.244 1.00 0.12 H new ATOM 242 N ILE A 18 12.090 1.449 -0.683 1.00 0.08 N ATOM 243 CA ILE A 18 11.767 2.375 0.380 1.00 0.08 C ATOM 244 C ILE A 18 13.052 3.004 0.862 1.00 0.09 C ATOM 245 O ILE A 18 13.919 2.322 1.412 1.00 0.18 O ATOM 246 CB ILE A 18 11.120 1.723 1.611 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.961 0.813 1.215 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.661 2.812 2.579 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.372 -0.616 0.984 1.00 0.12 C ATOM 0 H ILE A 18 12.195 0.480 -0.381 1.00 0.08 H new ATOM 0 HA ILE A 18 11.053 3.083 -0.041 1.00 0.08 H new ATOM 0 HB ILE A 18 11.861 1.096 2.107 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.202 0.843 1.997 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.498 1.201 0.307 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.201 2.351 3.453 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.519 3.407 2.891 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.934 3.456 2.084 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.498 -1.205 0.706 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.108 -0.658 0.181 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.808 -1.021 1.897 1.00 0.12 H new ATOM 261 N ASN A 19 13.191 4.282 0.652 1.00 0.13 N ATOM 262 CA ASN A 19 14.385 4.973 1.053 1.00 0.18 C ATOM 263 C ASN A 19 14.048 6.041 2.045 1.00 0.20 C ATOM 264 O ASN A 19 13.228 6.914 1.761 1.00 0.21 O ATOM 265 CB ASN A 19 15.080 5.573 -0.177 1.00 0.22 C ATOM 266 CG ASN A 19 15.965 6.763 0.152 1.00 0.43 C ATOM 267 OD1 ASN A 19 17.138 6.613 0.481 1.00 1.12 O ATOM 268 ND2 ASN A 19 15.400 7.960 0.055 1.00 0.29 N ATOM 0 H ASN A 19 12.489 4.870 0.203 1.00 0.13 H new ATOM 0 HA ASN A 19 15.068 4.267 1.525 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.683 4.802 -0.656 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.323 5.881 -0.899 1.00 0.22 H new ATOM 0 HD21 ASN A 19 15.944 8.799 0.257 1.00 0.29 H new ATOM 0 HD22 ASN A 19 14.422 8.041 -0.222 1.00 0.29 H new ATOM 275 N GLU A 20 14.639 5.984 3.227 1.00 0.24 N ATOM 276 CA GLU A 20 14.602 7.164 4.022 1.00 0.28 C ATOM 277 C GLU A 20 15.988 7.781 3.984 1.00 0.34 C ATOM 278 O GLU A 20 16.822 7.546 4.861 1.00 0.40 O ATOM 279 CB GLU A 20 14.269 6.822 5.470 1.00 0.33 C ATOM 280 CG GLU A 20 12.972 6.077 5.658 1.00 0.33 C ATOM 281 CD GLU A 20 12.603 5.966 7.115 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.681 6.978 7.841 1.00 0.70 O ATOM 283 OE2 GLU A 20 12.217 4.857 7.540 1.00 0.74 O ATOM 0 H GLU A 20 15.119 5.177 3.626 1.00 0.24 H new ATOM 0 HA GLU A 20 13.843 7.845 3.637 1.00 0.28 H new ATOM 0 HB2 GLU A 20 15.080 6.222 5.883 1.00 0.33 H new ATOM 0 HB3 GLU A 20 14.229 7.746 6.047 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.176 6.590 5.118 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.059 5.080 5.227 1.00 0.33 H new ATOM 290 N ASP A 21 16.220 8.549 2.946 1.00 0.35 N ATOM 291 CA ASP A 21 17.220 9.594 2.899 1.00 0.41 C ATOM 292 C ASP A 21 16.488 10.879 2.592 1.00 0.41 C ATOM 293 O ASP A 21 16.996 11.989 2.717 1.00 0.46 O ATOM 294 CB ASP A 21 18.278 9.273 1.842 1.00 0.44 C ATOM 295 CG ASP A 21 19.256 10.407 1.617 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.093 10.662 2.509 1.00 0.59 O ATOM 297 OD2 ASP A 21 19.206 11.035 0.538 1.00 0.53 O ATOM 0 H ASP A 21 15.697 8.461 2.075 1.00 0.35 H new ATOM 0 HA ASP A 21 17.752 9.683 3.846 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.828 8.382 2.146 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.782 9.036 0.900 1.00 0.44 H new ATOM 302 N VAL A 22 15.238 10.661 2.226 1.00 0.35 N ATOM 303 CA VAL A 22 14.456 11.587 1.437 1.00 0.33 C ATOM 304 C VAL A 22 13.461 12.368 2.303 1.00 0.31 C ATOM 305 O VAL A 22 13.350 12.126 3.510 1.00 0.30 O ATOM 306 CB VAL A 22 13.702 10.731 0.373 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.716 9.794 1.049 1.00 0.25 C ATOM 308 CG2 VAL A 22 12.992 11.554 -0.684 1.00 0.32 C ATOM 0 H VAL A 22 14.729 9.814 2.477 1.00 0.35 H new ATOM 0 HA VAL A 22 15.102 12.329 0.969 1.00 0.33 H new ATOM 0 HB VAL A 22 14.469 10.157 -0.147 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.198 9.204 0.293 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.252 9.128 1.725 1.00 0.25 H new ATOM 0 HG13 VAL A 22 11.989 10.377 1.615 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.491 10.889 -1.387 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.255 12.200 -0.208 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.719 12.166 -1.218 1.00 0.32 H new ATOM 318 N SER A 23 12.777 13.318 1.674 1.00 0.32 N ATOM 319 CA SER A 23 11.600 13.970 2.235 1.00 0.28 C ATOM 320 C SER A 23 10.613 12.866 2.617 1.00 0.18 C ATOM 321 O SER A 23 10.794 11.761 2.121 1.00 0.16 O ATOM 322 CB SER A 23 11.037 14.935 1.186 1.00 0.35 C ATOM 323 OG SER A 23 10.892 14.297 -0.074 1.00 1.31 O ATOM 0 H SER A 23 13.029 13.661 0.747 1.00 0.32 H new ATOM 0 HA SER A 23 11.823 14.557 3.126 1.00 0.28 H new ATOM 0 HB2 SER A 23 10.070 15.314 1.518 1.00 0.35 H new ATOM 0 HB3 SER A 23 11.699 15.795 1.087 1.00 0.35 H new ATOM 0 HG SER A 23 10.378 13.470 0.035 1.00 1.31 H new ATOM 329 N PRO A 24 9.532 13.101 3.412 1.00 0.16 N ATOM 330 CA PRO A 24 8.964 12.043 4.276 1.00 0.16 C ATOM 331 C PRO A 24 8.919 10.708 3.558 1.00 0.15 C ATOM 332 O PRO A 24 8.371 10.611 2.456 1.00 0.22 O ATOM 333 CB PRO A 24 7.534 12.543 4.536 1.00 0.21 C ATOM 334 CG PRO A 24 7.333 13.634 3.543 1.00 0.19 C ATOM 335 CD PRO A 24 8.675 14.290 3.437 1.00 0.17 C ATOM 0 HA PRO A 24 9.550 11.880 5.180 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.804 11.745 4.402 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.421 12.909 5.556 1.00 0.21 H new ATOM 0 HG2 PRO A 24 7.005 13.241 2.581 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.571 14.339 3.875 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.774 14.895 2.536 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.889 14.942 4.284 1.00 0.17 H new ATOM 343 N ALA A 25 9.475 9.692 4.240 1.00 0.15 N ATOM 344 CA ALA A 25 9.984 8.466 3.612 1.00 0.14 C ATOM 345 C ALA A 25 9.262 8.080 2.347 1.00 0.14 C ATOM 346 O ALA A 25 8.033 8.034 2.294 1.00 0.18 O ATOM 347 CB ALA A 25 9.973 7.302 4.570 1.00 0.20 C ATOM 0 H ALA A 25 9.584 9.702 5.254 1.00 0.15 H new ATOM 0 HA ALA A 25 11.011 8.704 3.336 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.357 6.414 4.068 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.602 7.533 5.430 1.00 0.20 H new ATOM 0 HB3 ALA A 25 8.953 7.117 4.906 1.00 0.20 H new ATOM 353 N GLU A 26 10.042 7.747 1.350 1.00 0.14 N ATOM 354 CA GLU A 26 9.516 7.519 0.038 1.00 0.15 C ATOM 355 C GLU A 26 9.909 6.146 -0.479 1.00 0.11 C ATOM 356 O GLU A 26 11.045 5.700 -0.328 1.00 0.13 O ATOM 357 CB GLU A 26 9.926 8.630 -0.950 1.00 0.27 C ATOM 358 CG GLU A 26 8.984 9.823 -0.915 1.00 0.66 C ATOM 359 CD GLU A 26 9.380 10.933 -1.866 1.00 0.71 C ATOM 360 OE1 GLU A 26 9.013 10.871 -3.060 1.00 1.14 O ATOM 361 OE2 GLU A 26 10.042 11.889 -1.422 1.00 1.26 O ATOM 0 H GLU A 26 11.052 7.628 1.429 1.00 0.14 H new ATOM 0 HA GLU A 26 8.429 7.549 0.117 1.00 0.15 H new ATOM 0 HB2 GLU A 26 10.937 8.964 -0.716 1.00 0.27 H new ATOM 0 HB3 GLU A 26 9.951 8.221 -1.960 1.00 0.27 H new ATOM 0 HG2 GLU A 26 7.976 9.488 -1.160 1.00 0.66 H new ATOM 0 HG3 GLU A 26 8.950 10.219 0.100 1.00 0.66 H new ATOM 368 N LEU A 27 8.938 5.492 -1.077 1.00 0.10 N ATOM 369 CA LEU A 27 9.127 4.228 -1.754 1.00 0.09 C ATOM 370 C LEU A 27 9.212 4.539 -3.220 1.00 0.09 C ATOM 371 O LEU A 27 8.496 5.397 -3.706 1.00 0.13 O ATOM 372 CB LEU A 27 7.925 3.310 -1.472 1.00 0.11 C ATOM 373 CG LEU A 27 7.738 2.077 -2.385 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.749 1.138 -1.750 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.217 2.449 -3.774 1.00 0.11 C ATOM 0 H LEU A 27 7.976 5.830 -1.107 1.00 0.10 H new ATOM 0 HA LEU A 27 10.027 3.718 -1.412 1.00 0.09 H new ATOM 0 HB2 LEU A 27 8.005 2.958 -0.444 1.00 0.11 H new ATOM 0 HB3 LEU A 27 7.019 3.914 -1.533 1.00 0.11 H new ATOM 0 HG LEU A 27 8.717 1.612 -2.502 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.613 0.266 -2.390 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.123 0.819 -0.777 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.794 1.647 -1.623 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.104 1.546 -4.374 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.251 2.945 -3.679 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.924 3.121 -4.260 1.00 0.11 H new ATOM 387 N THR A 28 10.055 3.854 -3.927 1.00 0.08 N ATOM 388 CA THR A 28 10.202 4.131 -5.327 1.00 0.09 C ATOM 389 C THR A 28 10.033 2.862 -6.132 1.00 0.08 C ATOM 390 O THR A 28 10.874 1.966 -6.079 1.00 0.10 O ATOM 391 CB THR A 28 11.563 4.769 -5.630 1.00 0.14 C ATOM 392 OG1 THR A 28 11.839 5.824 -4.695 1.00 0.21 O ATOM 393 CG2 THR A 28 11.563 5.331 -7.033 1.00 0.14 C ATOM 0 H THR A 28 10.647 3.106 -3.566 1.00 0.08 H new ATOM 0 HA THR A 28 9.426 4.841 -5.611 1.00 0.09 H new ATOM 0 HB THR A 28 12.334 4.004 -5.542 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.711 6.222 -4.899 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.532 5.783 -7.244 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.374 4.529 -7.746 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.783 6.087 -7.122 1.00 0.14 H new ATOM 401 N TRP A 29 8.926 2.771 -6.848 1.00 0.08 N ATOM 402 CA TRP A 29 8.712 1.646 -7.726 1.00 0.08 C ATOM 403 C TRP A 29 9.288 1.966 -9.091 1.00 0.08 C ATOM 404 O TRP A 29 8.741 2.755 -9.851 1.00 0.12 O ATOM 405 CB TRP A 29 7.231 1.276 -7.833 1.00 0.11 C ATOM 406 CG TRP A 29 6.996 0.071 -8.695 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.105 -1.241 -8.333 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.622 0.073 -10.074 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.827 -2.052 -9.405 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.529 -1.268 -10.485 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.358 1.081 -10.998 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.185 -1.623 -11.784 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.015 0.728 -12.282 1.00 0.24 C ATOM 414 CH2 TRP A 29 5.931 -0.614 -12.666 1.00 0.24 C ATOM 0 H TRP A 29 8.172 3.457 -6.836 1.00 0.08 H new ATOM 0 HA TRP A 29 9.221 0.778 -7.307 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.835 1.087 -6.835 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.678 2.122 -8.240 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.371 -1.590 -7.346 1.00 0.13 H new ATOM 0 HE1 TRP A 29 6.840 -3.072 -9.397 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.421 2.120 -10.711 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.121 -2.659 -12.084 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 5.807 1.501 -13.007 1.00 0.24 H new ATOM 0 HH2 TRP A 29 5.659 -0.857 -13.683 1.00 0.24 H new ATOM 425 N ARG A 30 10.405 1.353 -9.369 1.00 0.10 N ATOM 426 CA ARG A 30 11.130 1.561 -10.600 1.00 0.12 C ATOM 427 C ARG A 30 11.093 0.274 -11.405 1.00 0.13 C ATOM 428 O ARG A 30 11.638 -0.734 -10.971 1.00 0.15 O ATOM 429 CB ARG A 30 12.565 1.976 -10.242 1.00 0.15 C ATOM 430 CG ARG A 30 13.510 2.149 -11.412 1.00 0.21 C ATOM 431 CD ARG A 30 14.135 0.834 -11.804 1.00 0.32 C ATOM 432 NE ARG A 30 15.232 1.008 -12.751 1.00 0.33 N ATOM 433 CZ ARG A 30 15.998 0.016 -13.200 1.00 0.47 C ATOM 434 NH1 ARG A 30 15.777 -1.231 -12.802 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.983 0.273 -14.049 1.00 0.51 N ATOM 0 H ARG A 30 10.847 0.684 -8.739 1.00 0.10 H new ATOM 0 HA ARG A 30 10.685 2.349 -11.207 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.525 2.915 -9.689 1.00 0.15 H new ATOM 0 HB3 ARG A 30 12.983 1.227 -9.569 1.00 0.15 H new ATOM 0 HG2 ARG A 30 12.969 2.566 -12.262 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.291 2.863 -11.150 1.00 0.21 H new ATOM 0 HD2 ARG A 30 14.504 0.328 -10.912 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.375 0.189 -12.245 1.00 0.32 H new ATOM 0 HE ARG A 30 15.424 1.950 -13.091 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.018 -1.431 -12.150 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.366 -1.989 -13.148 1.00 0.87 H new ATOM 0 HH21 ARG A 30 17.154 1.230 -14.358 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.570 -0.486 -14.394 1.00 0.51 H new ATOM 449 N SER A 31 10.445 0.297 -12.565 1.00 0.16 N ATOM 450 CA SER A 31 10.233 -0.917 -13.331 1.00 0.18 C ATOM 451 C SER A 31 11.565 -1.566 -13.678 1.00 0.20 C ATOM 452 O SER A 31 12.566 -0.889 -13.903 1.00 0.24 O ATOM 453 CB SER A 31 9.414 -0.622 -14.592 1.00 0.28 C ATOM 454 OG SER A 31 10.104 0.238 -15.481 1.00 0.75 O ATOM 0 H SER A 31 10.061 1.141 -12.990 1.00 0.16 H new ATOM 0 HA SER A 31 9.665 -1.620 -12.721 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.180 -1.558 -15.100 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.465 -0.167 -14.310 1.00 0.28 H new ATOM 0 HG SER A 31 10.854 0.660 -15.012 1.00 0.75 H new ATOM 460 N THR A 32 11.552 -2.893 -13.684 1.00 0.20 N ATOM 461 CA THR A 32 12.752 -3.708 -13.864 1.00 0.26 C ATOM 462 C THR A 32 13.505 -3.338 -15.148 1.00 0.30 C ATOM 463 O THR A 32 14.714 -3.539 -15.254 1.00 0.38 O ATOM 464 CB THR A 32 12.372 -5.202 -13.903 1.00 0.31 C ATOM 465 OG1 THR A 32 11.516 -5.504 -12.792 1.00 0.31 O ATOM 466 CG2 THR A 32 13.606 -6.093 -13.844 1.00 0.39 C ATOM 0 H THR A 32 10.701 -3.442 -13.563 1.00 0.20 H new ATOM 0 HA THR A 32 13.411 -3.513 -13.018 1.00 0.26 H new ATOM 0 HB THR A 32 11.856 -5.396 -14.843 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.272 -6.453 -12.816 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.301 -7.139 -13.873 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.251 -5.879 -14.696 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.151 -5.900 -12.920 1.00 0.39 H new ATOM 474 N ASP A 33 12.777 -2.788 -16.110 1.00 0.32 N ATOM 475 CA ASP A 33 13.349 -2.397 -17.392 1.00 0.39 C ATOM 476 C ASP A 33 13.863 -0.955 -17.367 1.00 0.37 C ATOM 477 O ASP A 33 14.618 -0.539 -18.245 1.00 0.44 O ATOM 478 CB ASP A 33 12.297 -2.565 -18.494 1.00 0.52 C ATOM 479 CG ASP A 33 12.784 -2.118 -19.858 1.00 1.60 C ATOM 480 OD1 ASP A 33 13.750 -2.714 -20.376 1.00 2.07 O ATOM 481 OD2 ASP A 33 12.189 -1.178 -20.429 1.00 2.33 O ATOM 0 H ASP A 33 11.778 -2.601 -16.025 1.00 0.32 H new ATOM 0 HA ASP A 33 14.202 -3.044 -17.595 1.00 0.39 H new ATOM 0 HB2 ASP A 33 12.000 -3.612 -18.547 1.00 0.52 H new ATOM 0 HB3 ASP A 33 11.407 -1.994 -18.228 1.00 0.52 H new ATOM 486 N GLY A 34 13.475 -0.198 -16.345 1.00 0.36 N ATOM 487 CA GLY A 34 13.852 1.204 -16.286 1.00 0.37 C ATOM 488 C GLY A 34 12.932 2.051 -17.134 1.00 0.42 C ATOM 489 O GLY A 34 13.286 3.152 -17.560 1.00 0.55 O ATOM 0 H GLY A 34 12.910 -0.527 -15.562 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.820 1.549 -15.253 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.880 1.322 -16.629 1.00 0.37 H new ATOM 493 N ASP A 35 11.751 1.513 -17.382 1.00 0.45 N ATOM 494 CA ASP A 35 10.784 2.127 -18.277 1.00 0.55 C ATOM 495 C ASP A 35 9.940 3.180 -17.567 1.00 0.46 C ATOM 496 O ASP A 35 9.649 4.233 -18.132 1.00 0.74 O ATOM 497 CB ASP A 35 9.887 1.050 -18.876 1.00 0.73 C ATOM 498 CG ASP A 35 8.796 1.613 -19.760 1.00 0.89 C ATOM 499 OD1 ASP A 35 9.067 1.865 -20.951 1.00 1.13 O ATOM 500 OD2 ASP A 35 7.672 1.826 -19.263 1.00 0.92 O ATOM 0 H ASP A 35 11.434 0.636 -16.968 1.00 0.45 H new ATOM 0 HA ASP A 35 11.334 2.633 -19.071 1.00 0.55 H new ATOM 0 HB2 ASP A 35 10.497 0.359 -19.457 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.433 0.474 -18.070 1.00 0.73 H new ATOM 505 N LYS A 36 9.563 2.901 -16.330 1.00 0.34 N ATOM 506 CA LYS A 36 8.716 3.810 -15.569 1.00 0.34 C ATOM 507 C LYS A 36 9.063 3.759 -14.089 1.00 0.27 C ATOM 508 O LYS A 36 9.690 2.808 -13.611 1.00 0.34 O ATOM 509 CB LYS A 36 7.233 3.484 -15.764 1.00 0.55 C ATOM 510 CG LYS A 36 6.851 2.122 -15.242 1.00 0.92 C ATOM 511 CD LYS A 36 5.359 1.850 -15.388 1.00 0.90 C ATOM 512 CE LYS A 36 4.888 1.975 -16.825 1.00 1.25 C ATOM 513 NZ LYS A 36 3.438 1.678 -16.957 1.00 2.03 N ATOM 0 H LYS A 36 9.829 2.053 -15.830 1.00 0.34 H new ATOM 0 HA LYS A 36 8.900 4.817 -15.943 1.00 0.34 H new ATOM 0 HB2 LYS A 36 6.632 4.241 -15.260 1.00 0.55 H new ATOM 0 HB3 LYS A 36 6.992 3.540 -16.825 1.00 0.55 H new ATOM 0 HG2 LYS A 36 7.413 1.358 -15.779 1.00 0.92 H new ATOM 0 HG3 LYS A 36 7.132 2.045 -14.192 1.00 0.92 H new ATOM 0 HD2 LYS A 36 5.137 0.848 -15.021 1.00 0.90 H new ATOM 0 HD3 LYS A 36 4.802 2.548 -14.763 1.00 0.90 H new ATOM 0 HE2 LYS A 36 5.087 2.984 -17.187 1.00 1.25 H new ATOM 0 HE3 LYS A 36 5.458 1.292 -17.455 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 3.153 1.774 -17.953 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 3.252 0.707 -16.636 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 2.893 2.346 -16.375 1.00 2.03 H new ATOM 527 N VAL A 37 8.640 4.788 -13.379 1.00 0.22 N ATOM 528 CA VAL A 37 8.949 4.958 -11.962 1.00 0.21 C ATOM 529 C VAL A 37 7.766 5.582 -11.240 1.00 0.22 C ATOM 530 O VAL A 37 7.197 6.578 -11.689 1.00 0.32 O ATOM 531 CB VAL A 37 10.202 5.848 -11.744 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.433 6.114 -10.264 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.443 5.216 -12.360 1.00 0.55 C ATOM 0 H VAL A 37 8.068 5.538 -13.767 1.00 0.22 H new ATOM 0 HA VAL A 37 9.158 3.968 -11.557 1.00 0.21 H new ATOM 0 HB VAL A 37 10.016 6.798 -12.244 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.317 6.740 -10.140 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.565 6.625 -9.846 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.582 5.168 -9.743 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.303 5.863 -12.190 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.623 4.245 -11.899 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.292 5.087 -13.432 1.00 0.55 H new ATOM 543 N HIS A 38 7.393 4.979 -10.131 1.00 0.17 N ATOM 544 CA HIS A 38 6.279 5.445 -9.344 1.00 0.19 C ATOM 545 C HIS A 38 6.680 5.524 -7.879 1.00 0.17 C ATOM 546 O HIS A 38 6.858 4.502 -7.220 1.00 0.17 O ATOM 547 CB HIS A 38 5.123 4.480 -9.520 1.00 0.25 C ATOM 548 CG HIS A 38 3.776 5.134 -9.496 1.00 0.41 C ATOM 549 ND1 HIS A 38 3.111 5.502 -10.645 1.00 0.52 N ATOM 550 CD2 HIS A 38 2.970 5.485 -8.468 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.956 6.052 -10.326 1.00 0.67 C ATOM 552 NE2 HIS A 38 1.846 6.054 -9.014 1.00 0.69 N ATOM 0 H HIS A 38 7.856 4.152 -9.753 1.00 0.17 H new ATOM 0 HA HIS A 38 5.979 6.440 -9.674 1.00 0.19 H new ATOM 0 HB2 HIS A 38 5.243 3.953 -10.467 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.166 3.730 -8.730 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.172 5.344 -7.416 1.00 0.56 H new ATOM 0 HE1 HIS A 38 1.225 6.435 -11.022 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.053 6.420 -8.487 1.00 0.69 H new ATOM 561 N THR A 39 6.817 6.730 -7.369 1.00 0.18 N ATOM 562 CA THR A 39 7.297 6.925 -6.014 1.00 0.17 C ATOM 563 C THR A 39 6.134 7.191 -5.042 1.00 0.19 C ATOM 564 O THR A 39 5.205 7.935 -5.363 1.00 0.30 O ATOM 565 CB THR A 39 8.299 8.091 -5.956 1.00 0.22 C ATOM 566 OG1 THR A 39 9.315 7.900 -6.951 1.00 0.23 O ATOM 567 CG2 THR A 39 8.944 8.180 -4.584 1.00 0.23 C ATOM 0 H THR A 39 6.603 7.592 -7.871 1.00 0.18 H new ATOM 0 HA THR A 39 7.799 6.007 -5.709 1.00 0.17 H new ATOM 0 HB THR A 39 7.762 9.020 -6.148 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.952 8.644 -6.915 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.649 9.011 -4.566 1.00 0.23 H new ATOM 0 HG22 THR A 39 8.174 8.341 -3.830 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.473 7.251 -4.370 1.00 0.23 H new ATOM 575 N VAL A 40 6.184 6.565 -3.870 1.00 0.13 N ATOM 576 CA VAL A 40 5.159 6.733 -2.842 1.00 0.18 C ATOM 577 C VAL A 40 5.690 7.515 -1.634 1.00 0.11 C ATOM 578 O VAL A 40 6.729 7.165 -1.080 1.00 0.11 O ATOM 579 CB VAL A 40 4.662 5.357 -2.355 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.854 5.495 -1.083 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.838 4.667 -3.420 1.00 0.66 C ATOM 0 H VAL A 40 6.935 5.927 -3.605 1.00 0.13 H new ATOM 0 HA VAL A 40 4.341 7.294 -3.293 1.00 0.18 H new ATOM 0 HB VAL A 40 5.540 4.745 -2.147 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.514 4.511 -0.759 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.474 5.939 -0.304 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.991 6.134 -1.268 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.501 3.699 -3.049 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.973 5.283 -3.666 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.446 4.522 -4.313 1.00 0.66 H new ATOM 591 N VAL A 41 4.973 8.564 -1.225 1.00 0.10 N ATOM 592 CA VAL A 41 5.302 9.275 0.003 1.00 0.10 C ATOM 593 C VAL A 41 4.544 8.652 1.163 1.00 0.08 C ATOM 594 O VAL A 41 3.329 8.800 1.283 1.00 0.09 O ATOM 595 CB VAL A 41 4.973 10.786 -0.067 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.389 11.486 1.227 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.650 11.428 -1.266 1.00 0.18 C ATOM 0 H VAL A 41 4.166 8.935 -1.726 1.00 0.10 H new ATOM 0 HA VAL A 41 6.379 9.185 0.146 1.00 0.10 H new ATOM 0 HB VAL A 41 3.895 10.897 -0.186 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.150 12.547 1.160 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.852 11.046 2.067 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.462 11.364 1.378 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.406 12.490 -1.296 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.730 11.306 -1.182 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.301 10.949 -2.181 1.00 0.18 H new ATOM 607 N LEU A 42 5.284 7.959 2.000 1.00 0.08 N ATOM 608 CA LEU A 42 4.745 7.256 3.165 1.00 0.09 C ATOM 609 C LEU A 42 3.943 8.177 4.081 1.00 0.10 C ATOM 610 O LEU A 42 3.048 7.723 4.784 1.00 0.12 O ATOM 611 CB LEU A 42 5.879 6.612 3.964 1.00 0.10 C ATOM 612 CG LEU A 42 6.432 5.288 3.415 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.502 4.156 3.791 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.623 5.321 1.904 1.00 0.10 C ATOM 0 H LEU A 42 6.294 7.861 1.897 1.00 0.08 H new ATOM 0 HA LEU A 42 4.069 6.489 2.787 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.701 7.326 4.028 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.526 6.440 4.981 1.00 0.10 H new ATOM 0 HG LEU A 42 7.414 5.132 3.861 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.895 3.217 3.401 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.425 4.094 4.876 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.515 4.340 3.367 1.00 0.12 H new ATOM 0 HD21 LEU A 42 7.016 4.362 1.566 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.665 5.512 1.420 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.325 6.113 1.643 1.00 0.10 H new ATOM 626 N SER A 43 4.263 9.465 4.080 1.00 0.12 N ATOM 627 CA SER A 43 3.541 10.408 4.920 1.00 0.15 C ATOM 628 C SER A 43 2.168 10.719 4.324 1.00 0.14 C ATOM 629 O SER A 43 1.202 10.934 5.052 1.00 0.17 O ATOM 630 CB SER A 43 4.343 11.692 5.115 1.00 0.20 C ATOM 631 OG SER A 43 3.660 12.612 5.952 1.00 1.06 O ATOM 0 H SER A 43 5.007 9.875 3.515 1.00 0.12 H new ATOM 0 HA SER A 43 3.397 9.947 5.897 1.00 0.15 H new ATOM 0 HB2 SER A 43 5.313 11.453 5.551 1.00 0.20 H new ATOM 0 HB3 SER A 43 4.534 12.153 4.146 1.00 0.20 H new ATOM 0 HG SER A 43 4.201 13.422 6.058 1.00 1.06 H new ATOM 637 N THR A 44 2.080 10.741 2.994 1.00 0.13 N ATOM 638 CA THR A 44 0.794 10.933 2.330 1.00 0.14 C ATOM 639 C THR A 44 0.002 9.629 2.358 1.00 0.13 C ATOM 640 O THR A 44 -1.180 9.586 2.009 1.00 0.18 O ATOM 641 CB THR A 44 0.952 11.423 0.872 1.00 0.16 C ATOM 642 OG1 THR A 44 1.647 10.450 0.077 1.00 0.17 O ATOM 643 CG2 THR A 44 1.707 12.743 0.821 1.00 0.20 C ATOM 0 H THR A 44 2.874 10.630 2.363 1.00 0.13 H new ATOM 0 HA THR A 44 0.256 11.709 2.875 1.00 0.14 H new ATOM 0 HB THR A 44 -0.049 11.568 0.466 1.00 0.16 H new ATOM 0 HG1 THR A 44 2.157 9.853 0.663 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.805 13.066 -0.215 1.00 0.20 H new ATOM 0 HG22 THR A 44 1.160 13.497 1.386 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.698 12.612 1.256 1.00 0.20 H new ATOM 651 N ILE A 45 0.686 8.567 2.758 1.00 0.11 N ATOM 652 CA ILE A 45 0.079 7.275 2.983 1.00 0.12 C ATOM 653 C ILE A 45 -0.624 7.220 4.348 1.00 0.16 C ATOM 654 O ILE A 45 -0.031 7.507 5.385 1.00 0.23 O ATOM 655 CB ILE A 45 1.147 6.167 2.901 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.763 6.112 1.496 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.559 4.825 3.278 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.776 5.773 0.386 1.00 0.10 C ATOM 0 H ILE A 45 1.690 8.585 2.936 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.670 7.116 2.207 1.00 0.12 H new ATOM 0 HB ILE A 45 1.938 6.404 3.613 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.221 7.076 1.276 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.563 5.371 1.492 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.331 4.058 3.213 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.176 4.869 4.298 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.255 4.580 2.595 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.297 5.756 -0.571 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.336 4.794 0.577 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.012 6.526 0.357 1.00 0.10 H new ATOM 670 N ASP A 46 -1.909 6.891 4.311 1.00 0.16 N ATOM 671 CA ASP A 46 -2.716 6.669 5.507 1.00 0.22 C ATOM 672 C ASP A 46 -2.370 5.336 6.176 1.00 0.22 C ATOM 673 O ASP A 46 -2.187 5.273 7.392 1.00 0.28 O ATOM 674 CB ASP A 46 -4.200 6.688 5.122 1.00 0.28 C ATOM 675 CG ASP A 46 -5.109 6.111 6.192 1.00 0.46 C ATOM 676 OD1 ASP A 46 -5.440 6.835 7.151 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.477 4.924 6.088 1.00 0.61 O ATOM 0 H ASP A 46 -2.427 6.769 3.441 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.503 7.465 6.221 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.501 7.715 4.916 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.335 6.125 4.199 1.00 0.28 H new ATOM 682 N LYS A 47 -2.271 4.277 5.380 1.00 0.21 N ATOM 683 CA LYS A 47 -1.998 2.945 5.911 1.00 0.27 C ATOM 684 C LYS A 47 -1.266 2.102 4.879 1.00 0.18 C ATOM 685 O LYS A 47 -1.297 2.398 3.696 1.00 0.20 O ATOM 686 CB LYS A 47 -3.308 2.239 6.295 1.00 0.41 C ATOM 687 CG LYS A 47 -3.123 1.064 7.251 1.00 1.07 C ATOM 688 CD LYS A 47 -2.484 1.490 8.562 1.00 1.01 C ATOM 689 CE LYS A 47 -2.312 0.307 9.502 1.00 1.60 C ATOM 690 NZ LYS A 47 -1.626 0.683 10.766 1.00 1.95 N ATOM 0 H LYS A 47 -2.375 4.314 4.366 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.374 3.058 6.798 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -3.979 2.965 6.754 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.796 1.883 5.388 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.091 0.605 7.452 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -2.502 0.304 6.776 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -1.513 1.945 8.365 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -3.102 2.250 9.040 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -3.290 -0.114 9.734 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -1.740 -0.473 8.999 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -1.532 -0.156 11.373 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -0.682 1.061 10.549 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -2.184 1.408 11.261 1.00 1.95 H new ATOM 704 N LEU A 48 -0.598 1.062 5.332 1.00 0.14 N ATOM 705 CA LEU A 48 -0.037 0.077 4.434 1.00 0.10 C ATOM 706 C LEU A 48 -0.679 -1.278 4.696 1.00 0.11 C ATOM 707 O LEU A 48 -1.048 -1.597 5.823 1.00 0.14 O ATOM 708 CB LEU A 48 1.472 -0.027 4.605 1.00 0.10 C ATOM 709 CG LEU A 48 2.082 -1.317 4.082 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.086 -1.340 2.571 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.482 -1.476 4.601 1.00 0.13 C ATOM 0 H LEU A 48 -0.430 0.877 6.321 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.242 0.391 3.410 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.941 0.814 4.094 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.712 0.069 5.664 1.00 0.10 H new ATOM 0 HG LEU A 48 1.472 -2.148 4.436 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.528 -2.274 2.222 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.063 -1.263 2.203 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.670 -0.500 2.196 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.908 -2.404 4.219 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.090 -0.634 4.270 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.465 -1.506 5.690 1.00 0.13 H new ATOM 723 N GLN A 49 -0.792 -2.057 3.644 1.00 0.10 N ATOM 724 CA GLN A 49 -1.378 -3.387 3.701 1.00 0.11 C ATOM 725 C GLN A 49 -0.411 -4.395 3.105 1.00 0.10 C ATOM 726 O GLN A 49 0.441 -4.039 2.293 1.00 0.12 O ATOM 727 CB GLN A 49 -2.673 -3.435 2.903 1.00 0.15 C ATOM 728 CG GLN A 49 -3.670 -2.354 3.280 1.00 0.27 C ATOM 729 CD GLN A 49 -4.248 -2.526 4.672 1.00 0.86 C ATOM 730 OE1 GLN A 49 -4.516 -1.544 5.357 1.00 1.49 O ATOM 731 NE2 GLN A 49 -4.495 -3.765 5.081 1.00 1.03 N ATOM 0 H GLN A 49 -0.478 -1.787 2.712 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.584 -3.626 4.744 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.438 -3.345 1.842 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.139 -4.410 3.044 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.182 -1.381 3.215 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.484 -2.352 2.555 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -4.258 -4.556 4.483 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -4.922 -3.925 5.993 1.00 1.03 H new ATOM 740 N ALA A 50 -0.556 -5.643 3.498 1.00 0.11 N ATOM 741 CA ALA A 50 0.271 -6.721 2.975 1.00 0.13 C ATOM 742 C ALA A 50 -0.381 -8.071 3.276 1.00 0.18 C ATOM 743 O ALA A 50 -1.003 -8.239 4.322 1.00 0.25 O ATOM 744 CB ALA A 50 1.659 -6.640 3.583 1.00 0.16 C ATOM 0 H ALA A 50 -1.247 -5.943 4.186 1.00 0.11 H new ATOM 0 HA ALA A 50 0.361 -6.620 1.893 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.276 -7.448 3.190 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.112 -5.681 3.330 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.587 -6.732 4.667 1.00 0.16 H new ATOM 750 N THR A 51 -0.250 -9.016 2.354 1.00 0.17 N ATOM 751 CA THR A 51 -0.883 -10.333 2.483 1.00 0.22 C ATOM 752 C THR A 51 -0.557 -11.000 3.818 1.00 0.33 C ATOM 753 O THR A 51 0.608 -11.140 4.198 1.00 0.37 O ATOM 754 CB THR A 51 -0.439 -11.275 1.356 1.00 0.21 C ATOM 755 OG1 THR A 51 0.980 -11.345 1.305 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.955 -10.828 0.003 1.00 0.20 C ATOM 0 H THR A 51 0.293 -8.898 1.499 1.00 0.17 H new ATOM 0 HA THR A 51 -1.957 -10.157 2.424 1.00 0.22 H new ATOM 0 HB THR A 51 -0.859 -12.256 1.578 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.361 -10.768 2.000 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.616 -11.524 -0.764 1.00 0.20 H new ATOM 0 HG22 THR A 51 -2.045 -10.807 0.018 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.576 -9.831 -0.220 1.00 0.20 H new ATOM 764 N PRO A 52 -1.608 -11.409 4.530 1.00 0.41 N ATOM 765 CA PRO A 52 -1.514 -12.116 5.814 1.00 0.54 C ATOM 766 C PRO A 52 -0.963 -13.526 5.658 1.00 0.61 C ATOM 767 O PRO A 52 -0.868 -14.038 4.545 1.00 0.58 O ATOM 768 CB PRO A 52 -2.970 -12.178 6.276 1.00 0.64 C ATOM 769 CG PRO A 52 -3.748 -12.141 5.018 1.00 0.60 C ATOM 770 CD PRO A 52 -3.007 -11.206 4.127 1.00 0.45 C ATOM 0 HA PRO A 52 -0.840 -11.616 6.509 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -3.170 -13.087 6.842 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -3.219 -11.338 6.924 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -3.823 -13.133 4.572 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -4.766 -11.793 5.195 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -3.163 -11.442 3.074 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.324 -10.173 4.272 1.00 0.45 H new ATOM 778 N ALA A 53 -0.593 -14.147 6.769 1.00 0.73 N ATOM 779 CA ALA A 53 -0.158 -15.538 6.760 1.00 0.86 C ATOM 780 C ALA A 53 -1.223 -16.449 6.144 1.00 0.91 C ATOM 781 O ALA A 53 -0.907 -17.492 5.572 1.00 1.00 O ATOM 782 CB ALA A 53 0.167 -15.990 8.174 1.00 1.02 C ATOM 0 H ALA A 53 -0.585 -13.709 7.690 1.00 0.73 H new ATOM 0 HA ALA A 53 0.739 -15.609 6.145 1.00 0.86 H new ATOM 0 HB1 ALA A 53 0.491 -17.031 8.158 1.00 1.02 H new ATOM 0 HB2 ALA A 53 0.964 -15.368 8.581 1.00 1.02 H new ATOM 0 HB3 ALA A 53 -0.721 -15.896 8.799 1.00 1.02 H new ATOM 788 N SER A 54 -2.483 -16.044 6.268 1.00 0.89 N ATOM 789 CA SER A 54 -3.603 -16.791 5.702 1.00 0.98 C ATOM 790 C SER A 54 -3.631 -16.656 4.180 1.00 0.88 C ATOM 791 O SER A 54 -4.190 -17.498 3.477 1.00 0.97 O ATOM 792 CB SER A 54 -4.915 -16.277 6.294 1.00 1.07 C ATOM 793 OG SER A 54 -5.998 -17.143 5.990 1.00 1.58 O ATOM 0 H SER A 54 -2.756 -15.194 6.761 1.00 0.89 H new ATOM 0 HA SER A 54 -3.479 -17.845 5.951 1.00 0.98 H new ATOM 0 HB2 SER A 54 -4.815 -16.183 7.375 1.00 1.07 H new ATOM 0 HB3 SER A 54 -5.125 -15.280 5.906 1.00 1.07 H new ATOM 0 HG SER A 54 -6.822 -16.787 6.384 1.00 1.58 H new ATOM 799 N SER A 55 -3.033 -15.588 3.684 1.00 0.71 N ATOM 800 CA SER A 55 -2.954 -15.348 2.252 1.00 0.61 C ATOM 801 C SER A 55 -1.974 -16.324 1.611 1.00 0.63 C ATOM 802 O SER A 55 -0.869 -16.523 2.114 1.00 0.71 O ATOM 803 CB SER A 55 -2.497 -13.909 1.983 1.00 0.55 C ATOM 804 OG SER A 55 -2.300 -13.677 0.596 1.00 0.54 O ATOM 0 H SER A 55 -2.592 -14.868 4.255 1.00 0.71 H new ATOM 0 HA SER A 55 -3.943 -15.496 1.818 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.241 -13.212 2.368 1.00 0.55 H new ATOM 0 HB3 SER A 55 -1.569 -13.714 2.521 1.00 0.55 H new ATOM 0 HG SER A 55 -1.357 -13.822 0.371 1.00 0.54 H new ATOM 810 N GLU A 56 -2.383 -16.927 0.502 1.00 0.61 N ATOM 811 CA GLU A 56 -1.537 -17.827 -0.239 1.00 0.69 C ATOM 812 C GLU A 56 -0.583 -17.021 -1.106 1.00 0.60 C ATOM 813 O GLU A 56 0.410 -17.532 -1.625 1.00 0.70 O ATOM 814 CB GLU A 56 -2.405 -18.715 -1.108 1.00 0.80 C ATOM 815 CG GLU A 56 -1.666 -19.856 -1.720 1.00 1.19 C ATOM 816 CD GLU A 56 -2.478 -20.593 -2.760 1.00 2.20 C ATOM 817 OE1 GLU A 56 -3.619 -20.997 -2.454 1.00 2.66 O ATOM 818 OE2 GLU A 56 -1.977 -20.784 -3.886 1.00 2.89 O ATOM 0 H GLU A 56 -3.311 -16.800 0.099 1.00 0.61 H new ATOM 0 HA GLU A 56 -0.957 -18.446 0.446 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -3.227 -19.105 -0.508 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -2.848 -18.112 -1.901 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -0.749 -19.485 -2.178 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -1.371 -20.553 -0.936 1.00 1.19 H new ATOM 825 N LYS A 57 -0.905 -15.750 -1.259 1.00 0.46 N ATOM 826 CA LYS A 57 -0.140 -14.858 -2.108 1.00 0.39 C ATOM 827 C LYS A 57 0.672 -13.913 -1.256 1.00 0.32 C ATOM 828 O LYS A 57 0.511 -13.877 -0.036 1.00 0.39 O ATOM 829 CB LYS A 57 -1.074 -14.057 -3.010 1.00 0.41 C ATOM 830 CG LYS A 57 -2.328 -14.812 -3.421 1.00 0.56 C ATOM 831 CD LYS A 57 -2.008 -16.084 -4.172 1.00 0.89 C ATOM 832 CE LYS A 57 -1.341 -15.803 -5.503 1.00 1.84 C ATOM 833 NZ LYS A 57 -1.123 -17.042 -6.290 1.00 2.59 N ATOM 0 H LYS A 57 -1.702 -15.309 -0.800 1.00 0.46 H new ATOM 0 HA LYS A 57 0.529 -15.454 -2.729 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.365 -13.142 -2.495 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.531 -13.759 -3.907 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -2.912 -15.054 -2.533 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -2.949 -14.170 -4.046 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -1.355 -16.710 -3.564 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -2.926 -16.648 -4.338 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -1.957 -15.112 -6.078 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -0.384 -15.310 -5.332 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -0.665 -16.804 -7.193 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -0.514 -17.692 -5.753 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -2.038 -17.500 -6.477 1.00 2.59 H new ATOM 847 N MET A 58 1.528 -13.150 -1.909 1.00 0.27 N ATOM 848 CA MET A 58 2.420 -12.229 -1.230 1.00 0.25 C ATOM 849 C MET A 58 2.329 -10.875 -1.915 1.00 0.23 C ATOM 850 O MET A 58 2.794 -10.716 -3.034 1.00 0.29 O ATOM 851 CB MET A 58 3.852 -12.752 -1.317 1.00 0.29 C ATOM 852 CG MET A 58 3.947 -14.226 -1.703 1.00 0.42 C ATOM 853 SD MET A 58 3.510 -15.337 -0.348 1.00 1.78 S ATOM 854 CE MET A 58 3.720 -16.931 -1.136 1.00 1.53 C ATOM 0 H MET A 58 1.625 -13.151 -2.924 1.00 0.27 H new ATOM 0 HA MET A 58 2.137 -12.136 -0.181 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.402 -12.159 -2.047 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.341 -12.606 -0.354 1.00 0.29 H new ATOM 0 HG2 MET A 58 3.288 -14.418 -2.550 1.00 0.42 H new ATOM 0 HG3 MET A 58 4.963 -14.445 -2.033 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.486 -17.722 -0.424 1.00 1.53 H new ATOM 0 HE2 MET A 58 3.050 -17.004 -1.993 1.00 1.53 H new ATOM 0 HE3 MET A 58 4.752 -17.038 -1.472 1.00 1.53 H new ATOM 864 N MET A 59 1.741 -9.900 -1.249 1.00 0.20 N ATOM 865 CA MET A 59 1.457 -8.614 -1.884 1.00 0.21 C ATOM 866 C MET A 59 1.374 -7.497 -0.853 1.00 0.18 C ATOM 867 O MET A 59 1.086 -7.740 0.314 1.00 0.26 O ATOM 868 CB MET A 59 0.142 -8.673 -2.681 1.00 0.27 C ATOM 869 CG MET A 59 0.180 -9.563 -3.913 1.00 0.64 C ATOM 870 SD MET A 59 -1.391 -9.614 -4.798 1.00 1.30 S ATOM 871 CE MET A 59 -2.290 -10.812 -3.819 1.00 0.62 C ATOM 0 H MET A 59 1.450 -9.966 -0.274 1.00 0.20 H new ATOM 0 HA MET A 59 2.280 -8.402 -2.567 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.651 -9.025 -2.021 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.125 -7.662 -2.989 1.00 0.27 H new ATOM 0 HG2 MET A 59 0.959 -9.207 -4.587 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.455 -10.575 -3.615 1.00 0.64 H new ATOM 0 HE1 MET A 59 -3.330 -10.500 -3.728 1.00 0.62 H new ATOM 0 HE2 MET A 59 -2.244 -11.787 -4.305 1.00 0.62 H new ATOM 0 HE3 MET A 59 -1.843 -10.880 -2.827 1.00 0.62 H new ATOM 881 N LEU A 60 1.625 -6.281 -1.308 1.00 0.12 N ATOM 882 CA LEU A 60 1.513 -5.083 -0.478 1.00 0.10 C ATOM 883 C LEU A 60 0.494 -4.099 -1.069 1.00 0.10 C ATOM 884 O LEU A 60 0.180 -4.165 -2.256 1.00 0.13 O ATOM 885 CB LEU A 60 2.861 -4.377 -0.391 1.00 0.13 C ATOM 886 CG LEU A 60 3.587 -4.516 0.939 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.396 -5.791 1.008 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.486 -3.333 1.162 1.00 0.14 C ATOM 0 H LEU A 60 1.914 -6.091 -2.268 1.00 0.12 H new ATOM 0 HA LEU A 60 1.184 -5.398 0.512 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.506 -4.764 -1.180 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.710 -3.317 -0.594 1.00 0.13 H new ATOM 0 HG LEU A 60 2.830 -4.557 1.723 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.898 -5.851 1.973 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.734 -6.649 0.889 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.140 -5.794 0.211 1.00 0.12 H new ATOM 0 HD21 LEU A 60 5.001 -3.442 2.116 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.220 -3.277 0.358 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.890 -2.420 1.173 1.00 0.14 H new ATOM 900 N ARG A 61 -0.007 -3.182 -0.241 1.00 0.10 N ATOM 901 CA ARG A 61 -0.846 -2.084 -0.724 1.00 0.11 C ATOM 902 C ARG A 61 -0.735 -0.858 0.190 1.00 0.11 C ATOM 903 O ARG A 61 -1.168 -0.886 1.332 1.00 0.11 O ATOM 904 CB ARG A 61 -2.316 -2.507 -0.861 1.00 0.16 C ATOM 905 CG ARG A 61 -3.196 -1.437 -1.488 1.00 0.32 C ATOM 906 CD ARG A 61 -4.659 -1.853 -1.522 1.00 0.56 C ATOM 907 NE ARG A 61 -5.272 -1.881 -0.189 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.585 -2.022 0.018 1.00 1.67 C ATOM 909 NH1 ARG A 61 -7.393 -2.231 -1.006 1.00 1.46 N ATOM 910 NH2 ARG A 61 -7.087 -1.962 1.244 1.00 2.72 N ATOM 0 H ARG A 61 0.153 -3.177 0.766 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.477 -1.817 -1.714 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.371 -3.412 -1.465 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.708 -2.758 0.125 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -3.096 -0.509 -0.925 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -2.853 -1.233 -2.502 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -5.214 -1.163 -2.158 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -4.741 -2.841 -1.976 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.663 -1.788 0.624 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -7.015 -2.284 -1.952 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -8.395 -2.339 -0.851 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.470 -1.807 2.041 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -8.091 -2.071 1.390 1.00 2.72 H new ATOM 924 N LEU A 62 -0.168 0.219 -0.336 1.00 0.11 N ATOM 925 CA LEU A 62 0.017 1.457 0.416 1.00 0.11 C ATOM 926 C LEU A 62 -1.141 2.424 0.170 1.00 0.15 C ATOM 927 O LEU A 62 -1.283 2.972 -0.918 1.00 0.19 O ATOM 928 CB LEU A 62 1.357 2.101 0.035 1.00 0.12 C ATOM 929 CG LEU A 62 2.537 1.618 0.881 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.869 1.907 0.217 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.510 2.273 2.239 1.00 0.86 C ATOM 0 H LEU A 62 0.177 0.261 -1.295 1.00 0.11 H new ATOM 0 HA LEU A 62 0.030 1.222 1.480 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.565 1.892 -1.014 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.270 3.183 0.133 1.00 0.12 H new ATOM 0 HG LEU A 62 2.434 0.538 0.985 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.678 1.547 0.853 1.00 0.90 H new ATOM 0 HD12 LEU A 62 3.912 1.400 -0.747 1.00 0.90 H new ATOM 0 HD13 LEU A 62 3.975 2.981 0.067 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.355 1.920 2.830 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.575 3.355 2.123 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.580 2.018 2.747 1.00 0.86 H new ATOM 943 N ILE A 63 -1.954 2.628 1.193 1.00 0.17 N ATOM 944 CA ILE A 63 -3.145 3.470 1.100 1.00 0.23 C ATOM 945 C ILE A 63 -2.797 4.912 1.394 1.00 0.21 C ATOM 946 O ILE A 63 -2.245 5.198 2.437 1.00 0.25 O ATOM 947 CB ILE A 63 -4.224 3.078 2.142 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.067 1.631 2.611 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.618 3.309 1.581 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.333 0.606 1.546 1.00 0.33 C ATOM 0 H ILE A 63 -1.810 2.216 2.115 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.525 3.334 0.087 1.00 0.23 H new ATOM 0 HB ILE A 63 -4.084 3.719 3.012 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.054 1.491 2.989 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.746 1.456 3.446 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.362 3.028 2.327 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.738 4.362 1.328 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.755 2.702 0.686 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.200 -0.393 1.961 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.355 0.715 1.183 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.637 0.751 0.720 1.00 0.33 H new ATOM 962 N GLY A 64 -3.131 5.820 0.499 1.00 0.27 N ATOM 963 CA GLY A 64 -2.939 7.227 0.787 1.00 0.30 C ATOM 964 C GLY A 64 -4.226 7.869 1.238 1.00 0.35 C ATOM 965 O GLY A 64 -5.304 7.411 0.869 1.00 0.48 O ATOM 0 H GLY A 64 -3.529 5.615 -0.417 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -2.180 7.343 1.561 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.567 7.736 -0.102 1.00 0.30 H new ATOM 969 N LYS A 65 -4.115 8.916 2.049 1.00 0.30 N ATOM 970 CA LYS A 65 -5.282 9.549 2.656 1.00 0.33 C ATOM 971 C LYS A 65 -6.279 10.002 1.596 1.00 0.38 C ATOM 972 O LYS A 65 -5.900 10.602 0.585 1.00 0.41 O ATOM 973 CB LYS A 65 -4.873 10.746 3.516 1.00 0.34 C ATOM 974 CG LYS A 65 -4.148 10.380 4.806 1.00 0.36 C ATOM 975 CD LYS A 65 -2.714 9.958 4.562 1.00 0.40 C ATOM 976 CE LYS A 65 -1.769 10.549 5.594 1.00 0.43 C ATOM 977 NZ LYS A 65 -1.966 9.977 6.950 1.00 1.15 N ATOM 0 H LYS A 65 -3.225 9.346 2.302 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.759 8.802 3.291 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -4.230 11.399 2.925 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.766 11.319 3.766 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.162 11.234 5.483 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.683 9.571 5.303 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -2.646 8.870 4.587 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -2.407 10.274 3.565 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -0.740 10.377 5.278 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -1.913 11.629 5.636 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -1.953 10.742 7.655 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -2.882 9.485 6.990 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -1.202 9.303 7.157 1.00 1.15 H new ATOM 991 N VAL A 66 -7.549 9.703 1.834 1.00 0.42 N ATOM 992 CA VAL A 66 -8.617 10.065 0.915 1.00 0.51 C ATOM 993 C VAL A 66 -8.811 11.584 0.873 1.00 0.57 C ATOM 994 O VAL A 66 -8.269 12.314 1.706 1.00 0.61 O ATOM 995 CB VAL A 66 -9.939 9.358 1.306 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.488 9.905 2.617 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.984 9.444 0.200 1.00 0.69 C ATOM 0 H VAL A 66 -7.866 9.205 2.666 1.00 0.42 H new ATOM 0 HA VAL A 66 -8.331 9.732 -0.083 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.706 8.303 1.448 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -11.416 9.390 2.866 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.759 9.744 3.412 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.682 10.973 2.513 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.894 8.935 0.519 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -11.208 10.490 -0.009 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.599 8.968 -0.702 1.00 0.69 H new ATOM 1294 N GLN A 85 -7.042 6.727 -2.199 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.119 6.357 -3.266 1.00 0.52 C ATOM 1296 C GLN A 85 -4.981 5.504 -2.729 1.00 0.43 C ATOM 1297 O GLN A 85 -4.169 5.957 -1.930 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.587 7.621 -3.952 1.00 0.62 C ATOM 1299 CG GLN A 85 -5.085 8.671 -2.979 1.00 0.85 C ATOM 1300 CD GLN A 85 -3.607 8.985 -3.134 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -2.826 8.013 -3.580 1.00 1.78 O flip ATOM 1302 NE2 GLN A 85 -3.170 10.102 -2.849 1.00 0.97 N flip ATOM 0 HA GLN A 85 -6.654 5.759 -4.003 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.777 7.345 -4.627 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -6.378 8.053 -4.564 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -5.659 9.587 -3.118 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -5.271 8.329 -1.961 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -3.803 10.826 -2.508 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -2.175 10.303 -2.954 1.00 0.97 H new ATOM 1311 N ARG A 86 -4.922 4.263 -3.175 1.00 0.31 N ATOM 1312 CA ARG A 86 -3.975 3.320 -2.621 1.00 0.27 C ATOM 1313 C ARG A 86 -3.171 2.616 -3.705 1.00 0.26 C ATOM 1314 O ARG A 86 -3.670 2.323 -4.791 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.706 2.322 -1.723 1.00 0.36 C ATOM 1316 CG ARG A 86 -5.965 1.749 -2.342 1.00 0.72 C ATOM 1317 CD ARG A 86 -6.864 1.160 -1.287 1.00 0.54 C ATOM 1318 NE ARG A 86 -8.124 0.667 -1.831 1.00 1.21 N ATOM 1319 CZ ARG A 86 -9.263 0.636 -1.141 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -9.299 1.080 0.110 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -10.362 0.146 -1.693 1.00 2.29 N ATOM 0 H ARG A 86 -5.516 3.888 -3.915 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.255 3.872 -2.017 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -4.028 1.504 -1.478 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -4.965 2.813 -0.785 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -6.497 2.531 -2.883 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -5.700 0.982 -3.069 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.344 0.342 -0.788 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -7.071 1.916 -0.529 1.00 0.54 H new ATOM 0 HE ARG A 86 -8.134 0.327 -2.793 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -8.453 1.446 0.546 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -10.173 1.055 0.635 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -10.338 -0.209 -2.649 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -11.233 0.123 -1.162 1.00 2.29 H new ATOM 1335 N HIS A 87 -1.919 2.350 -3.377 1.00 0.19 N ATOM 1336 CA HIS A 87 -0.948 1.809 -4.312 1.00 0.18 C ATOM 1337 C HIS A 87 -0.657 0.351 -3.994 1.00 0.15 C ATOM 1338 O HIS A 87 -0.132 0.043 -2.929 1.00 0.14 O ATOM 1339 CB HIS A 87 0.346 2.620 -4.210 1.00 0.21 C ATOM 1340 CG HIS A 87 0.169 4.087 -4.453 1.00 0.28 C ATOM 1341 ND1 HIS A 87 -0.238 4.612 -5.657 1.00 0.41 N ATOM 1342 CD2 HIS A 87 0.349 5.146 -3.628 1.00 0.36 C ATOM 1343 CE1 HIS A 87 -0.301 5.925 -5.561 1.00 0.50 C ATOM 1344 NE2 HIS A 87 0.052 6.277 -4.341 1.00 0.47 N ATOM 0 H HIS A 87 -1.543 2.506 -2.442 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.353 1.871 -5.322 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.775 2.476 -3.218 1.00 0.21 H new ATOM 0 HB3 HIS A 87 1.066 2.228 -4.929 1.00 0.21 H new ATOM 0 HD2 HIS A 87 0.668 5.106 -2.597 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -0.593 6.601 -6.351 1.00 0.50 H new ATOM 0 HE2 HIS A 87 0.097 7.232 -3.987 1.00 0.47 H new ATOM 1353 N MET A 88 -0.981 -0.545 -4.906 1.00 0.16 N ATOM 1354 CA MET A 88 -0.775 -1.966 -4.658 1.00 0.15 C ATOM 1355 C MET A 88 0.427 -2.491 -5.422 1.00 0.20 C ATOM 1356 O MET A 88 0.548 -2.280 -6.626 1.00 0.30 O ATOM 1357 CB MET A 88 -2.006 -2.786 -5.039 1.00 0.20 C ATOM 1358 CG MET A 88 -1.837 -4.267 -4.739 1.00 0.23 C ATOM 1359 SD MET A 88 -3.247 -5.267 -5.248 1.00 0.32 S ATOM 1360 CE MET A 88 -4.549 -4.519 -4.275 1.00 0.42 C ATOM 0 H MET A 88 -1.384 -0.322 -5.816 1.00 0.16 H new ATOM 0 HA MET A 88 -0.595 -2.073 -3.588 1.00 0.15 H new ATOM 0 HB2 MET A 88 -2.873 -2.406 -4.498 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.211 -2.655 -6.102 1.00 0.20 H new ATOM 0 HG2 MET A 88 -0.942 -4.632 -5.242 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.676 -4.397 -3.669 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.189 -5.299 -3.863 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.110 -3.943 -3.461 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.143 -3.859 -4.908 1.00 0.42 H new ATOM 1370 N PHE A 89 1.315 -3.165 -4.707 1.00 0.18 N ATOM 1371 CA PHE A 89 2.464 -3.801 -5.316 1.00 0.28 C ATOM 1372 C PHE A 89 2.433 -5.285 -5.002 1.00 0.31 C ATOM 1373 O PHE A 89 2.406 -5.684 -3.839 1.00 0.43 O ATOM 1374 CB PHE A 89 3.752 -3.189 -4.771 1.00 0.34 C ATOM 1375 CG PHE A 89 3.552 -1.826 -4.183 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.497 -0.711 -5.002 1.00 0.81 C ATOM 1377 CD2 PHE A 89 3.433 -1.655 -2.816 1.00 0.93 C ATOM 1378 CE1 PHE A 89 3.324 0.548 -4.469 1.00 1.17 C ATOM 1379 CE2 PHE A 89 3.264 -0.399 -2.276 1.00 1.26 C ATOM 1380 CZ PHE A 89 3.157 0.691 -3.086 1.00 1.33 C ATOM 0 H PHE A 89 1.257 -3.284 -3.696 1.00 0.18 H new ATOM 0 HA PHE A 89 2.432 -3.650 -6.395 1.00 0.28 H new ATOM 0 HB2 PHE A 89 4.167 -3.849 -4.010 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.486 -3.127 -5.574 1.00 0.34 H new ATOM 0 HD1 PHE A 89 3.591 -0.829 -6.071 1.00 0.81 H new ATOM 0 HD2 PHE A 89 3.473 -2.516 -2.165 1.00 0.93 H new ATOM 0 HE1 PHE A 89 3.317 1.416 -5.112 1.00 1.17 H new ATOM 0 HE2 PHE A 89 3.216 -0.278 -1.204 1.00 1.26 H new ATOM 0 HZ PHE A 89 2.944 1.662 -2.663 1.00 1.33 H new ATOM 1390 N SER A 90 2.440 -6.099 -6.031 1.00 0.26 N ATOM 1391 CA SER A 90 2.396 -7.528 -5.856 1.00 0.26 C ATOM 1392 C SER A 90 3.805 -8.099 -5.830 1.00 0.23 C ATOM 1393 O SER A 90 4.630 -7.785 -6.686 1.00 0.24 O ATOM 1394 CB SER A 90 1.566 -8.171 -6.971 1.00 0.28 C ATOM 1395 OG SER A 90 0.225 -7.705 -6.948 1.00 0.94 O ATOM 0 H SER A 90 2.476 -5.792 -7.003 1.00 0.26 H new ATOM 0 HA SER A 90 1.920 -7.754 -4.902 1.00 0.26 H new ATOM 0 HB2 SER A 90 2.015 -7.946 -7.938 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.579 -9.255 -6.858 1.00 0.28 H new ATOM 0 HG SER A 90 -0.298 -8.246 -6.320 1.00 0.94 H new ATOM 1401 N PHE A 91 4.080 -8.917 -4.835 1.00 0.21 N ATOM 1402 CA PHE A 91 5.373 -9.583 -4.737 1.00 0.21 C ATOM 1403 C PHE A 91 5.247 -11.062 -5.063 1.00 0.23 C ATOM 1404 O PHE A 91 4.148 -11.596 -5.203 1.00 0.28 O ATOM 1405 CB PHE A 91 5.972 -9.427 -3.337 1.00 0.30 C ATOM 1406 CG PHE A 91 6.611 -8.092 -3.103 1.00 0.63 C ATOM 1407 CD1 PHE A 91 7.798 -7.765 -3.732 1.00 0.91 C ATOM 1408 CD2 PHE A 91 6.030 -7.167 -2.260 1.00 0.99 C ATOM 1409 CE1 PHE A 91 8.394 -6.538 -3.522 1.00 1.20 C ATOM 1410 CE2 PHE A 91 6.621 -5.938 -2.046 1.00 1.29 C ATOM 1411 CZ PHE A 91 7.804 -5.623 -2.679 1.00 1.33 C ATOM 0 H PHE A 91 3.430 -9.140 -4.081 1.00 0.21 H new ATOM 0 HA PHE A 91 6.035 -9.109 -5.461 1.00 0.21 H new ATOM 0 HB2 PHE A 91 5.187 -9.580 -2.596 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.715 -10.209 -3.180 1.00 0.30 H new ATOM 0 HD1 PHE A 91 8.264 -8.478 -4.396 1.00 0.91 H new ATOM 0 HD2 PHE A 91 5.102 -7.407 -1.762 1.00 0.99 H new ATOM 0 HE1 PHE A 91 9.322 -6.296 -4.018 1.00 1.20 H new ATOM 0 HE2 PHE A 91 6.156 -5.223 -1.383 1.00 1.29 H new ATOM 0 HZ PHE A 91 8.267 -4.661 -2.514 1.00 1.33 H new ATOM 1421 N ASN A 92 6.388 -11.709 -5.209 1.00 0.31 N ATOM 1422 CA ASN A 92 6.429 -13.128 -5.523 1.00 0.39 C ATOM 1423 C ASN A 92 6.985 -13.901 -4.341 1.00 0.35 C ATOM 1424 O ASN A 92 7.001 -15.130 -4.341 1.00 0.42 O ATOM 1425 CB ASN A 92 7.297 -13.384 -6.765 1.00 0.51 C ATOM 1426 CG ASN A 92 6.682 -12.864 -8.058 1.00 0.80 C ATOM 1427 OD1 ASN A 92 5.903 -11.910 -8.061 1.00 1.53 O ATOM 1428 ND2 ASN A 92 7.043 -13.481 -9.173 1.00 1.27 N ATOM 0 H ASN A 92 7.305 -11.273 -5.115 1.00 0.31 H new ATOM 0 HA ASN A 92 5.414 -13.465 -5.733 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.270 -12.914 -6.621 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.472 -14.456 -6.861 1.00 0.51 H new ATOM 0 HD21 ASN A 92 6.674 -13.169 -10.071 1.00 1.27 H new ATOM 0 HD22 ASN A 92 7.691 -14.268 -9.134 1.00 1.27 H new ATOM 1435 N ASN A 93 7.437 -13.171 -3.326 1.00 0.30 N ATOM 1436 CA ASN A 93 8.066 -13.787 -2.172 1.00 0.32 C ATOM 1437 C ASN A 93 7.469 -13.263 -0.871 1.00 0.28 C ATOM 1438 O ASN A 93 7.372 -12.051 -0.652 1.00 0.23 O ATOM 1439 CB ASN A 93 9.568 -13.524 -2.208 1.00 0.37 C ATOM 1440 CG ASN A 93 10.301 -14.168 -1.048 1.00 0.44 C ATOM 1441 OD1 ASN A 93 10.543 -13.530 -0.028 1.00 0.71 O ATOM 1442 ND2 ASN A 93 10.635 -15.439 -1.180 1.00 0.83 N ATOM 0 H ASN A 93 7.378 -12.154 -3.283 1.00 0.30 H new ATOM 0 HA ASN A 93 7.884 -14.861 -2.212 1.00 0.32 H new ATOM 0 HB2 ASN A 93 9.977 -13.901 -3.145 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.745 -12.449 -2.193 1.00 0.37 H new ATOM 0 HD21 ASN A 93 11.111 -15.923 -0.419 1.00 0.83 H new ATOM 0 HD22 ASN A 93 10.417 -15.937 -2.043 1.00 0.83 H new ATOM 1449 N ARG A 94 7.071 -14.205 -0.022 1.00 0.34 N ATOM 1450 CA ARG A 94 6.469 -13.921 1.277 1.00 0.37 C ATOM 1451 C ARG A 94 7.404 -13.107 2.164 1.00 0.30 C ATOM 1452 O ARG A 94 6.962 -12.225 2.896 1.00 0.27 O ATOM 1453 CB ARG A 94 6.111 -15.247 1.963 1.00 0.57 C ATOM 1454 CG ARG A 94 5.817 -15.138 3.444 1.00 0.90 C ATOM 1455 CD ARG A 94 4.498 -14.450 3.696 1.00 0.71 C ATOM 1456 NE ARG A 94 4.206 -14.373 5.126 1.00 0.99 N ATOM 1457 CZ ARG A 94 3.455 -15.259 5.780 1.00 1.35 C ATOM 1458 NH1 ARG A 94 2.811 -16.213 5.113 1.00 2.16 N ATOM 1459 NH2 ARG A 94 3.335 -15.179 7.100 1.00 1.70 N ATOM 0 H ARG A 94 7.159 -15.202 -0.219 1.00 0.34 H new ATOM 0 HA ARG A 94 5.569 -13.326 1.120 1.00 0.37 H new ATOM 0 HB2 ARG A 94 5.241 -15.674 1.465 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.935 -15.947 1.821 1.00 0.57 H new ATOM 0 HG2 ARG A 94 5.800 -16.134 3.887 1.00 0.90 H new ATOM 0 HG3 ARG A 94 6.617 -14.584 3.935 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.522 -13.446 3.273 1.00 0.71 H new ATOM 0 HD3 ARG A 94 3.700 -14.991 3.188 1.00 0.71 H new ATOM 0 HE ARG A 94 4.600 -13.595 5.655 1.00 0.99 H new ATOM 0 HH11 ARG A 94 2.891 -16.268 4.098 1.00 2.16 H new ATOM 0 HH12 ARG A 94 2.237 -16.889 5.617 1.00 2.16 H new ATOM 0 HH21 ARG A 94 3.817 -14.440 7.612 1.00 1.70 H new ATOM 0 HH22 ARG A 94 2.761 -15.856 7.602 1.00 1.70 H new ATOM 1473 N THR A 95 8.689 -13.395 2.079 1.00 0.30 N ATOM 1474 CA THR A 95 9.666 -12.747 2.934 1.00 0.27 C ATOM 1475 C THR A 95 9.872 -11.294 2.516 1.00 0.21 C ATOM 1476 O THR A 95 9.724 -10.385 3.326 1.00 0.18 O ATOM 1477 CB THR A 95 11.008 -13.493 2.897 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.825 -14.860 3.295 1.00 0.40 O ATOM 1479 CG2 THR A 95 12.011 -12.816 3.807 1.00 0.32 C ATOM 0 H THR A 95 9.081 -14.074 1.426 1.00 0.30 H new ATOM 0 HA THR A 95 9.281 -12.770 3.953 1.00 0.27 H new ATOM 0 HB THR A 95 11.391 -13.471 1.877 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.686 -15.327 3.266 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.957 -13.356 3.771 1.00 0.32 H new ATOM 0 HG22 THR A 95 12.166 -11.789 3.477 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.633 -12.816 4.829 1.00 0.32 H new ATOM 1487 N VAL A 96 10.206 -11.096 1.246 1.00 0.23 N ATOM 1488 CA VAL A 96 10.344 -9.764 0.663 1.00 0.21 C ATOM 1489 C VAL A 96 9.197 -8.863 1.065 1.00 0.19 C ATOM 1490 O VAL A 96 9.411 -7.803 1.643 1.00 0.19 O ATOM 1491 CB VAL A 96 10.360 -9.823 -0.877 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.444 -8.418 -1.459 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.516 -10.678 -1.367 1.00 0.29 C ATOM 0 H VAL A 96 10.389 -11.855 0.589 1.00 0.23 H new ATOM 0 HA VAL A 96 11.287 -9.367 1.037 1.00 0.21 H new ATOM 0 HB VAL A 96 9.431 -10.282 -1.216 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.454 -8.475 -2.547 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.580 -7.837 -1.134 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.357 -7.935 -1.112 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.510 -10.708 -2.457 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.457 -10.251 -1.020 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.411 -11.690 -0.976 1.00 0.29 H new ATOM 1503 N MET A 97 7.982 -9.285 0.762 1.00 0.19 N ATOM 1504 CA MET A 97 6.824 -8.470 1.060 1.00 0.19 C ATOM 1505 C MET A 97 6.664 -8.266 2.566 1.00 0.17 C ATOM 1506 O MET A 97 6.177 -7.229 3.000 1.00 0.19 O ATOM 1507 CB MET A 97 5.572 -9.078 0.434 1.00 0.21 C ATOM 1508 CG MET A 97 5.092 -10.369 1.069 1.00 0.22 C ATOM 1509 SD MET A 97 3.463 -10.233 1.819 1.00 0.29 S ATOM 1510 CE MET A 97 3.837 -9.446 3.369 1.00 0.17 C ATOM 0 H MET A 97 7.775 -10.178 0.315 1.00 0.19 H new ATOM 0 HA MET A 97 6.973 -7.484 0.620 1.00 0.19 H new ATOM 0 HB2 MET A 97 4.767 -8.345 0.487 1.00 0.21 H new ATOM 0 HB3 MET A 97 5.767 -9.262 -0.622 1.00 0.21 H new ATOM 0 HG2 MET A 97 5.071 -11.152 0.311 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.809 -10.680 1.829 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.959 -9.477 4.014 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.662 -9.969 3.853 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.120 -8.409 3.191 1.00 0.17 H new ATOM 1520 N ASP A 98 7.104 -9.235 3.365 1.00 0.16 N ATOM 1521 CA ASP A 98 7.040 -9.097 4.820 1.00 0.16 C ATOM 1522 C ASP A 98 8.017 -8.026 5.264 1.00 0.15 C ATOM 1523 O ASP A 98 7.758 -7.268 6.196 1.00 0.22 O ATOM 1524 CB ASP A 98 7.368 -10.424 5.508 1.00 0.21 C ATOM 1525 CG ASP A 98 7.292 -10.327 7.018 1.00 0.30 C ATOM 1526 OD1 ASP A 98 6.173 -10.409 7.569 1.00 0.38 O ATOM 1527 OD2 ASP A 98 8.349 -10.174 7.663 1.00 0.39 O ATOM 0 H ASP A 98 7.504 -10.114 3.037 1.00 0.16 H new ATOM 0 HA ASP A 98 6.027 -8.811 5.103 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.676 -11.191 5.161 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.369 -10.743 5.217 1.00 0.21 H new ATOM 1532 N ASN A 99 9.111 -7.943 4.533 1.00 0.12 N ATOM 1533 CA ASN A 99 10.179 -6.999 4.820 1.00 0.13 C ATOM 1534 C ASN A 99 9.786 -5.612 4.353 1.00 0.15 C ATOM 1535 O ASN A 99 9.872 -4.639 5.098 1.00 0.24 O ATOM 1536 CB ASN A 99 11.457 -7.430 4.093 1.00 0.22 C ATOM 1537 CG ASN A 99 12.045 -8.724 4.609 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.551 -9.543 3.700 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 12.022 -9.002 5.808 1.00 0.50 N flip ATOM 0 H ASN A 99 9.287 -8.531 3.718 1.00 0.12 H new ATOM 0 HA ASN A 99 10.354 -6.982 5.896 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.240 -7.538 3.030 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.202 -6.640 4.188 1.00 0.22 H new ATOM 0 HD21 ASN A 99 11.623 -8.343 6.477 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.402 -9.891 6.133 1.00 0.50 H new ATOM 1546 N ILE A 100 9.352 -5.539 3.107 1.00 0.12 N ATOM 1547 CA ILE A 100 8.899 -4.297 2.505 1.00 0.12 C ATOM 1548 C ILE A 100 7.783 -3.684 3.343 1.00 0.11 C ATOM 1549 O ILE A 100 7.817 -2.501 3.685 1.00 0.13 O ATOM 1550 CB ILE A 100 8.381 -4.561 1.076 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.523 -5.020 0.178 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.732 -3.318 0.492 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.562 -3.952 -0.044 1.00 0.11 C ATOM 0 H ILE A 100 9.304 -6.343 2.481 1.00 0.12 H new ATOM 0 HA ILE A 100 9.739 -3.604 2.463 1.00 0.12 H new ATOM 0 HB ILE A 100 7.629 -5.348 1.130 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.998 -5.895 0.622 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.118 -5.331 -0.785 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.376 -3.533 -0.516 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.891 -3.018 1.118 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.462 -2.510 0.454 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.349 -4.339 -0.691 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.098 -3.085 -0.515 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.992 -3.658 0.914 1.00 0.11 H new ATOM 1565 N LYS A 101 6.808 -4.517 3.689 1.00 0.11 N ATOM 1566 CA LYS A 101 5.683 -4.097 4.508 1.00 0.12 C ATOM 1567 C LYS A 101 6.155 -3.557 5.857 1.00 0.11 C ATOM 1568 O LYS A 101 5.773 -2.463 6.271 1.00 0.14 O ATOM 1569 CB LYS A 101 4.731 -5.279 4.729 1.00 0.18 C ATOM 1570 CG LYS A 101 3.879 -5.156 5.985 1.00 0.89 C ATOM 1571 CD LYS A 101 3.440 -6.511 6.534 1.00 0.75 C ATOM 1572 CE LYS A 101 4.616 -7.363 6.991 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.171 -8.669 7.556 1.00 1.11 N ATOM 0 H LYS A 101 6.777 -5.498 3.410 1.00 0.11 H new ATOM 0 HA LYS A 101 5.160 -3.298 3.983 1.00 0.12 H new ATOM 0 HB2 LYS A 101 4.075 -5.371 3.864 1.00 0.18 H new ATOM 0 HB3 LYS A 101 5.315 -6.198 4.786 1.00 0.18 H new ATOM 0 HG2 LYS A 101 4.443 -4.624 6.751 1.00 0.89 H new ATOM 0 HG3 LYS A 101 2.997 -4.555 5.763 1.00 0.89 H new ATOM 0 HD2 LYS A 101 2.760 -6.357 7.372 1.00 0.75 H new ATOM 0 HD3 LYS A 101 2.883 -7.048 5.766 1.00 0.75 H new ATOM 0 HE2 LYS A 101 5.284 -7.541 6.148 1.00 0.42 H new ATOM 0 HE3 LYS A 101 5.188 -6.819 7.742 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 4.888 -9.396 7.357 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 4.046 -8.578 8.584 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 3.268 -8.946 7.121 1.00 1.11 H new ATOM 1587 N MET A 102 6.993 -4.330 6.538 1.00 0.09 N ATOM 1588 CA MET A 102 7.438 -3.973 7.879 1.00 0.09 C ATOM 1589 C MET A 102 8.329 -2.737 7.830 1.00 0.09 C ATOM 1590 O MET A 102 8.455 -2.013 8.810 1.00 0.12 O ATOM 1591 CB MET A 102 8.152 -5.161 8.541 1.00 0.10 C ATOM 1592 CG MET A 102 9.541 -5.453 8.010 1.00 0.16 C ATOM 1593 SD MET A 102 10.854 -4.631 8.936 1.00 0.88 S ATOM 1594 CE MET A 102 10.668 -5.403 10.540 1.00 1.17 C ATOM 0 H MET A 102 7.377 -5.206 6.184 1.00 0.09 H new ATOM 0 HA MET A 102 6.568 -3.730 8.489 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.222 -4.972 9.612 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.537 -6.052 8.414 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.711 -6.529 8.032 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.595 -5.143 6.966 1.00 0.16 H new ATOM 0 HE1 MET A 102 11.636 -5.443 11.039 1.00 1.17 H new ATOM 0 HE2 MET A 102 9.972 -4.822 11.145 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.283 -6.415 10.414 1.00 1.17 H new ATOM 1604 N THR A 103 8.922 -2.498 6.672 1.00 0.08 N ATOM 1605 CA THR A 103 9.708 -1.304 6.433 1.00 0.08 C ATOM 1606 C THR A 103 8.815 -0.073 6.415 1.00 0.08 C ATOM 1607 O THR A 103 9.061 0.908 7.120 1.00 0.09 O ATOM 1608 CB THR A 103 10.437 -1.410 5.082 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.389 -2.479 5.119 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.133 -0.119 4.725 1.00 0.11 C ATOM 0 H THR A 103 8.871 -3.128 5.872 1.00 0.08 H new ATOM 0 HA THR A 103 10.437 -1.211 7.238 1.00 0.08 H new ATOM 0 HB THR A 103 9.689 -1.614 4.316 1.00 0.10 H new ATOM 0 HG1 THR A 103 10.943 -3.322 4.893 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.637 -0.231 3.765 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.399 0.684 4.658 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.867 0.124 5.494 1.00 0.11 H new ATOM 1618 N LEU A 104 7.766 -0.150 5.612 1.00 0.08 N ATOM 1619 CA LEU A 104 6.889 0.983 5.382 1.00 0.09 C ATOM 1620 C LEU A 104 6.082 1.327 6.618 1.00 0.11 C ATOM 1621 O LEU A 104 6.121 2.455 7.083 1.00 0.13 O ATOM 1622 CB LEU A 104 5.933 0.687 4.227 1.00 0.09 C ATOM 1623 CG LEU A 104 6.585 0.371 2.885 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.663 -0.459 2.025 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.931 1.637 2.155 1.00 0.11 C ATOM 0 H LEU A 104 7.501 -0.994 5.105 1.00 0.08 H new ATOM 0 HA LEU A 104 7.521 1.836 5.133 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.303 -0.156 4.510 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.276 1.547 4.096 1.00 0.09 H new ATOM 0 HG LEU A 104 7.496 -0.193 3.083 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.148 -0.673 1.073 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.435 -1.395 2.534 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.739 0.091 1.846 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.395 1.391 1.200 1.00 0.11 H new ATOM 0 HD22 LEU A 104 6.024 2.215 1.979 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.625 2.225 2.755 1.00 0.11 H new ATOM 1637 N GLN A 105 5.333 0.363 7.128 1.00 0.12 N ATOM 1638 CA GLN A 105 4.499 0.587 8.313 1.00 0.18 C ATOM 1639 C GLN A 105 5.299 1.161 9.475 1.00 0.18 C ATOM 1640 O GLN A 105 4.759 1.904 10.291 1.00 0.22 O ATOM 1641 CB GLN A 105 3.817 -0.689 8.786 1.00 0.28 C ATOM 1642 CG GLN A 105 2.816 -1.260 7.810 1.00 0.39 C ATOM 1643 CD GLN A 105 2.025 -2.390 8.410 1.00 0.64 C ATOM 1644 OE1 GLN A 105 2.589 -3.579 8.363 1.00 1.45 O flip ATOM 1645 NE2 GLN A 105 0.934 -2.192 8.937 1.00 0.99 N flip ATOM 0 H GLN A 105 5.281 -0.582 6.747 1.00 0.12 H new ATOM 0 HA GLN A 105 3.742 1.307 8.002 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.580 -1.441 8.987 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.311 -0.488 9.730 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.135 -0.473 7.487 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.338 -1.615 6.921 1.00 0.39 H new ATOM 0 HE21 GLN A 105 0.536 -1.253 8.949 1.00 0.99 H new ATOM 0 HE22 GLN A 105 0.425 -2.967 9.363 1.00 0.99 H new ATOM 1654 N GLN A 106 6.592 0.839 9.536 1.00 0.17 N ATOM 1655 CA GLN A 106 7.451 1.351 10.591 1.00 0.20 C ATOM 1656 C GLN A 106 7.495 2.864 10.510 1.00 0.20 C ATOM 1657 O GLN A 106 7.696 3.560 11.501 1.00 0.36 O ATOM 1658 CB GLN A 106 8.851 0.787 10.440 1.00 0.25 C ATOM 1659 CG GLN A 106 9.141 -0.413 11.321 1.00 0.30 C ATOM 1660 CD GLN A 106 10.582 -0.867 11.208 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.456 -0.404 11.947 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.841 -1.768 10.279 1.00 0.47 N ATOM 0 H GLN A 106 7.061 0.228 8.867 1.00 0.17 H new ATOM 0 HA GLN A 106 7.053 1.049 11.560 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.005 0.504 9.399 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.572 1.572 10.667 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.921 -0.162 12.359 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.480 -1.234 11.044 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.088 -2.124 9.690 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.794 -2.108 10.150 1.00 0.47 H new ATOM 1671 N ILE A 107 7.304 3.337 9.296 1.00 0.13 N ATOM 1672 CA ILE A 107 7.265 4.745 8.973 1.00 0.13 C ATOM 1673 C ILE A 107 5.865 5.309 9.181 1.00 0.14 C ATOM 1674 O ILE A 107 5.684 6.381 9.745 1.00 0.17 O ATOM 1675 CB ILE A 107 7.627 4.937 7.487 1.00 0.13 C ATOM 1676 CG1 ILE A 107 8.954 4.249 7.146 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.653 6.408 7.134 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.126 3.948 5.672 1.00 0.14 C ATOM 0 H ILE A 107 7.168 2.734 8.485 1.00 0.13 H new ATOM 0 HA ILE A 107 7.972 5.261 9.623 1.00 0.13 H new ATOM 0 HB ILE A 107 6.855 4.462 6.882 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.777 4.883 7.476 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.024 3.318 7.708 1.00 0.13 H new ATOM 0 HG21 ILE A 107 7.910 6.525 6.081 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.671 6.844 7.318 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.396 6.916 7.748 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.088 3.462 5.510 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.325 3.288 5.340 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.089 4.878 5.104 1.00 0.14 H new ATOM 1690 N ILE A 108 4.882 4.574 8.701 1.00 0.13 N ATOM 1691 CA ILE A 108 3.500 5.041 8.684 1.00 0.17 C ATOM 1692 C ILE A 108 2.937 5.165 10.092 1.00 0.23 C ATOM 1693 O ILE A 108 2.461 6.226 10.491 1.00 0.29 O ATOM 1694 CB ILE A 108 2.641 4.077 7.852 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.446 3.659 6.623 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.318 4.721 7.458 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.620 3.142 5.480 1.00 0.15 C ATOM 0 H ILE A 108 5.012 3.640 8.312 1.00 0.13 H new ATOM 0 HA ILE A 108 3.479 6.032 8.231 1.00 0.17 H new ATOM 0 HB ILE A 108 2.394 3.196 8.444 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.026 4.514 6.277 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.159 2.888 6.917 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.731 4.016 6.870 1.00 0.26 H new ATOM 0 HG22 ILE A 108 0.764 4.994 8.356 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.511 5.615 6.865 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.275 2.870 4.652 1.00 0.15 H new ATOM 0 HD12 ILE A 108 2.060 2.265 5.804 1.00 0.15 H new ATOM 0 HD13 ILE A 108 1.925 3.916 5.154 1.00 0.15 H new ATOM 1709 N SER A 109 3.029 4.086 10.848 1.00 0.28 N ATOM 1710 CA SER A 109 2.598 4.060 12.239 1.00 0.37 C ATOM 1711 C SER A 109 3.473 4.999 13.067 1.00 0.37 C ATOM 1712 O SER A 109 3.139 5.365 14.192 1.00 0.43 O ATOM 1713 CB SER A 109 2.678 2.626 12.764 1.00 0.45 C ATOM 1714 OG SER A 109 2.084 1.728 11.836 1.00 1.22 O ATOM 0 H SER A 109 3.406 3.198 10.516 1.00 0.28 H new ATOM 0 HA SER A 109 1.566 4.402 12.317 1.00 0.37 H new ATOM 0 HB2 SER A 109 3.719 2.350 12.932 1.00 0.45 H new ATOM 0 HB3 SER A 109 2.170 2.555 13.726 1.00 0.45 H new ATOM 0 HG SER A 109 2.754 1.446 11.179 1.00 1.22 H new ATOM 1720 N ARG A 110 4.592 5.386 12.473 1.00 0.33 N ATOM 1721 CA ARG A 110 5.489 6.368 13.042 1.00 0.35 C ATOM 1722 C ARG A 110 4.921 7.769 12.831 1.00 0.38 C ATOM 1723 O ARG A 110 4.927 8.602 13.737 1.00 0.48 O ATOM 1724 CB ARG A 110 6.852 6.224 12.369 1.00 0.34 C ATOM 1725 CG ARG A 110 7.609 7.503 12.195 1.00 1.27 C ATOM 1726 CD ARG A 110 8.932 7.223 11.528 1.00 1.25 C ATOM 1727 NE ARG A 110 9.730 8.422 11.311 1.00 2.39 N ATOM 1728 CZ ARG A 110 10.703 8.490 10.410 1.00 2.70 C ATOM 1729 NH1 ARG A 110 11.010 7.417 9.698 1.00 1.97 N ATOM 1730 NH2 ARG A 110 11.378 9.617 10.234 1.00 3.79 N ATOM 0 H ARG A 110 4.902 5.020 11.573 1.00 0.33 H new ATOM 0 HA ARG A 110 5.599 6.208 14.115 1.00 0.35 H new ATOM 0 HB2 ARG A 110 7.460 5.536 12.957 1.00 0.34 H new ATOM 0 HB3 ARG A 110 6.711 5.767 11.390 1.00 0.34 H new ATOM 0 HG2 ARG A 110 7.028 8.202 11.593 1.00 1.27 H new ATOM 0 HG3 ARG A 110 7.772 7.975 13.164 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.500 6.523 12.141 1.00 1.25 H new ATOM 0 HD3 ARG A 110 8.753 6.735 10.570 1.00 1.25 H new ATOM 0 HE ARG A 110 9.532 9.247 11.877 1.00 2.39 H new ATOM 0 HH11 ARG A 110 10.500 6.546 9.843 1.00 1.97 H new ATOM 0 HH12 ARG A 110 11.756 7.462 9.004 1.00 1.97 H new ATOM 0 HH21 ARG A 110 11.151 10.440 10.793 1.00 3.79 H new ATOM 0 HH22 ARG A 110 12.124 9.662 9.540 1.00 3.79 H new ATOM 1744 N TYR A 111 4.407 8.008 11.632 1.00 0.34 N ATOM 1745 CA TYR A 111 3.853 9.303 11.280 1.00 0.41 C ATOM 1746 C TYR A 111 2.501 9.519 11.940 1.00 0.49 C ATOM 1747 O TYR A 111 2.171 10.633 12.323 1.00 0.60 O ATOM 1748 CB TYR A 111 3.740 9.453 9.764 1.00 0.37 C ATOM 1749 CG TYR A 111 4.990 10.020 9.130 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.212 11.392 9.086 1.00 0.48 C ATOM 1751 CD2 TYR A 111 5.951 9.185 8.591 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.361 11.910 8.515 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.102 9.693 8.021 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.303 11.053 7.985 1.00 0.48 C ATOM 1755 OH TYR A 111 8.450 11.559 7.419 1.00 0.55 O ATOM 0 H TYR A 111 4.363 7.315 10.884 1.00 0.34 H new ATOM 0 HA TYR A 111 4.536 10.068 11.650 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.526 8.479 9.323 1.00 0.37 H new ATOM 0 HB3 TYR A 111 2.895 10.101 9.531 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.476 12.063 9.504 1.00 0.48 H new ATOM 0 HD2 TYR A 111 5.799 8.116 8.616 1.00 0.34 H new ATOM 0 HE1 TYR A 111 6.519 12.978 8.484 1.00 0.53 H new ATOM 0 HE2 TYR A 111 7.841 9.025 7.605 1.00 0.40 H new ATOM 0 HH TYR A 111 9.008 10.821 7.095 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.461 -8.317 2.251 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.225 -8.131 2.972 1.00 0.48 C ATOM 2061 C PHE B 261 -4.523 -7.834 4.430 1.00 0.66 C ATOM 2062 O PHE B 261 -5.669 -7.588 4.799 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.439 -6.958 2.382 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.253 -7.016 0.895 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.005 -8.216 0.258 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -3.335 -5.866 0.134 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -2.843 -8.270 -1.108 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -3.173 -5.914 -1.235 1.00 0.75 C ATOM 2069 CZ PHE B 261 -2.928 -7.118 -1.856 1.00 0.62 C ATOM 0 HA PHE B 261 -3.634 -9.043 2.889 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -3.952 -6.030 2.635 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.458 -6.920 2.856 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -2.937 -9.124 0.839 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -3.528 -4.919 0.616 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -2.649 -9.216 -1.592 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -3.238 -5.008 -1.819 1.00 0.75 H new ATOM 0 HZ PHE B 261 -2.803 -7.158 -2.928 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.492 -7.846 5.245 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.602 -7.430 6.626 1.00 0.67 C ATOM 2081 C VAL B 262 -2.558 -6.353 6.887 1.00 0.54 C ATOM 2082 O VAL B 262 -1.573 -6.250 6.154 1.00 0.50 O ATOM 2083 CB VAL B 262 -3.403 -8.619 7.600 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -1.953 -9.080 7.618 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -3.873 -8.260 9.004 1.00 1.14 C ATOM 0 H VAL B 262 -2.556 -8.144 4.971 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.604 -7.039 6.800 1.00 0.67 H new ATOM 0 HB VAL B 262 -4.013 -9.447 7.239 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -1.845 -9.915 8.310 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -1.660 -9.398 6.617 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -1.314 -8.258 7.939 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -3.722 -9.112 9.667 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -3.302 -7.408 9.372 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -4.932 -8.003 8.979 1.00 1.14 H new ATOM 2095 N GLU B 263 -2.785 -5.535 7.887 1.00 0.57 N ATOM 2096 CA GLU B 263 -1.821 -4.526 8.259 1.00 0.55 C ATOM 2097 C GLU B 263 -1.215 -4.882 9.607 1.00 0.56 C ATOM 2098 O GLU B 263 -1.925 -5.055 10.596 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.451 -3.120 8.254 1.00 0.73 C ATOM 2100 CG GLU B 263 -3.691 -2.936 9.128 1.00 1.21 C ATOM 2101 CD GLU B 263 -4.857 -3.828 8.730 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -5.520 -3.538 7.715 1.00 2.20 O ATOM 2103 OE2 GLU B 263 -5.107 -4.835 9.425 1.00 2.24 O ATOM 0 H GLU B 263 -3.630 -5.548 8.459 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.020 -4.502 7.520 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -1.695 -2.404 8.576 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -2.714 -2.866 7.227 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -3.427 -3.140 10.166 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -4.008 -1.894 9.078 1.00 1.21 H new