USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 GLN : amide:sc= -3.07 K(o=-6.8,f=-11!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -3.76 K(o=-6.8,f=-11!) USER MOD Set 2.1: A 7 TYR OH : rot -150:sc= -4.09! USER MOD Set 2.2: A 12 HIS :FLIP no HD1:sc= -10.9! C(o=-22!,f=-21!) USER MOD Set 2.3: A 37 MET CE :methyl 162:sc= -5.78! (180deg=-5.45!) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.257 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ -160:sc= -3.91! (180deg=-4.9!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.162 USER MOD Single : A 10 ASN : amide:sc=-0.00877 X(o=-0.0088,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -140:sc=-0.00365 (180deg=-1.48) USER MOD Single : A 14 CYS SG : rot -152:sc= 1.16 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 152:sc= 1.17 USER MOD Single : A 19 ASN : amide:sc= -3.35 K(o=-3.3,f=-14!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.794 USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00411) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.508 F(o=-1.3,f=-0.51) USER MOD Single : A 35 ASN : amide:sc= -1.6 K(o=-1.6,f=-7.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -128:sc= -1.49 (180deg=-4.67!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.689 -3.299 11.678 1.00 0.00 N ATOM 2 CA MET A 1 2.518 -3.325 10.761 1.00 0.00 C ATOM 3 C MET A 1 2.707 -2.432 9.552 1.00 0.00 C ATOM 4 O MET A 1 2.658 -1.208 9.653 1.00 0.00 O ATOM 5 CB MET A 1 1.287 -2.878 11.534 1.00 0.00 C ATOM 6 CG MET A 1 -0.028 -3.302 10.905 1.00 0.00 C ATOM 7 SD MET A 1 -1.455 -2.803 11.887 1.00 0.00 S ATOM 8 CE MET A 1 -1.095 -3.610 13.445 1.00 0.00 C ATOM 0 H1 MET A 1 3.674 -4.144 12.285 1.00 0.00 H new ATOM 0 H2 MET A 1 4.567 -3.289 11.120 1.00 0.00 H new ATOM 0 H3 MET A 1 3.646 -2.446 12.271 1.00 0.00 H new ATOM 0 HA MET A 1 2.402 -4.344 10.392 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.340 -3.281 12.545 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.301 -1.792 11.623 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.107 -2.868 9.908 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.036 -4.385 10.782 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.020 -3.751 14.004 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.634 -4.579 13.255 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.411 -2.991 14.026 1.00 0.00 H new ATOM 20 N PHE A 2 2.895 -3.057 8.402 1.00 0.00 N ATOM 21 CA PHE A 2 3.071 -2.322 7.164 1.00 0.00 C ATOM 22 C PHE A 2 1.732 -1.826 6.646 1.00 0.00 C ATOM 23 O PHE A 2 0.713 -2.501 6.781 1.00 0.00 O ATOM 24 CB PHE A 2 3.747 -3.204 6.120 1.00 0.00 C ATOM 25 CG PHE A 2 5.154 -3.567 6.486 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.414 -4.687 7.254 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.213 -2.784 6.068 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.706 -5.021 7.599 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.509 -3.112 6.408 1.00 0.00 C ATOM 30 CZ PHE A 2 7.756 -4.233 7.176 1.00 0.00 C ATOM 0 H PHE A 2 2.929 -4.071 8.301 1.00 0.00 H new ATOM 0 HA PHE A 2 3.707 -1.459 7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.164 -4.116 5.990 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.748 -2.687 5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.595 -5.307 7.587 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.024 -1.906 5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.896 -5.898 8.200 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.329 -2.493 6.074 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.769 -4.492 7.445 1.00 0.00 H new ATOM 40 N LYS A 3 1.740 -0.641 6.059 1.00 0.00 N ATOM 41 CA LYS A 3 0.524 -0.053 5.526 1.00 0.00 C ATOM 42 C LYS A 3 0.510 -0.146 4.010 1.00 0.00 C ATOM 43 O LYS A 3 1.379 0.402 3.338 1.00 0.00 O ATOM 44 CB LYS A 3 0.405 1.406 5.964 1.00 0.00 C ATOM 45 CG LYS A 3 -0.179 1.575 7.356 1.00 0.00 C ATOM 46 CD LYS A 3 0.867 1.330 8.431 1.00 0.00 C ATOM 47 CE LYS A 3 0.646 2.229 9.636 1.00 0.00 C ATOM 48 NZ LYS A 3 1.473 3.465 9.565 1.00 0.00 N ATOM 0 H LYS A 3 2.575 -0.068 5.940 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.328 -0.608 5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.392 1.868 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.219 1.942 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.583 2.582 7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.010 0.882 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.832 0.286 8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.861 1.507 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.408 2.500 9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.889 1.682 10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.294 4.051 10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.480 3.207 9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.224 4.001 8.709 1.00 0.00 H new ATOM 62 N VAL A 4 -0.479 -0.844 3.471 1.00 0.00 N ATOM 63 CA VAL A 4 -0.588 -0.988 2.029 1.00 0.00 C ATOM 64 C VAL A 4 -1.641 -0.057 1.465 1.00 0.00 C ATOM 65 O VAL A 4 -2.827 -0.177 1.774 1.00 0.00 O ATOM 66 CB VAL A 4 -0.911 -2.436 1.604 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.520 -2.473 0.209 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.343 -3.280 1.634 1.00 0.00 C ATOM 0 H VAL A 4 -1.210 -1.315 4.005 1.00 0.00 H new ATOM 0 HA VAL A 4 0.389 -0.724 1.623 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.637 -2.840 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.738 -3.505 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.442 -1.892 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.816 -2.048 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.103 -4.299 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.079 -2.862 0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.752 -3.288 2.644 1.00 0.00 H new ATOM 78 N TYR A 5 -1.200 0.857 0.619 1.00 0.00 N ATOM 79 CA TYR A 5 -2.108 1.794 -0.007 1.00 0.00 C ATOM 80 C TYR A 5 -2.570 1.241 -1.342 1.00 0.00 C ATOM 81 O TYR A 5 -1.864 1.333 -2.344 1.00 0.00 O ATOM 82 CB TYR A 5 -1.438 3.157 -0.196 1.00 0.00 C ATOM 83 CG TYR A 5 -1.302 3.950 1.085 1.00 0.00 C ATOM 84 CD1 TYR A 5 -1.231 3.315 2.320 1.00 0.00 C ATOM 85 CD2 TYR A 5 -1.256 5.335 1.057 1.00 0.00 C ATOM 86 CE1 TYR A 5 -1.114 4.041 3.488 1.00 0.00 C ATOM 87 CE2 TYR A 5 -1.141 6.066 2.223 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.070 5.416 3.434 1.00 0.00 C ATOM 89 OH TYR A 5 -0.957 6.144 4.596 1.00 0.00 O ATOM 0 H TYR A 5 -0.222 0.968 0.352 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.973 1.932 0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.448 3.009 -0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.015 3.739 -0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.268 2.237 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.311 5.850 0.109 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.057 3.533 4.439 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.107 7.145 2.185 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.939 7.100 4.382 1.00 0.00 H new ATOM 99 N GLY A 6 -3.756 0.654 -1.342 1.00 0.00 N ATOM 100 CA GLY A 6 -4.300 0.081 -2.551 1.00 0.00 C ATOM 101 C GLY A 6 -5.799 -0.103 -2.459 1.00 0.00 C ATOM 102 O GLY A 6 -6.504 0.764 -1.942 1.00 0.00 O ATOM 0 H GLY A 6 -4.354 0.565 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.064 0.726 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.826 -0.882 -2.742 1.00 0.00 H new ATOM 106 N TYR A 7 -6.295 -1.216 -2.982 1.00 0.00 N ATOM 107 CA TYR A 7 -7.714 -1.485 -2.975 1.00 0.00 C ATOM 108 C TYR A 7 -8.014 -2.894 -2.477 1.00 0.00 C ATOM 109 O TYR A 7 -7.369 -3.858 -2.890 1.00 0.00 O ATOM 110 CB TYR A 7 -8.256 -1.299 -4.376 1.00 0.00 C ATOM 111 CG TYR A 7 -7.975 0.077 -4.915 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.672 0.469 -5.180 1.00 0.00 C ATOM 113 CD2 TYR A 7 -8.992 0.996 -5.127 1.00 0.00 C ATOM 114 CE1 TYR A 7 -6.388 1.732 -5.638 1.00 0.00 C ATOM 115 CE2 TYR A 7 -8.708 2.258 -5.591 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.409 2.626 -5.840 1.00 0.00 C ATOM 117 OH TYR A 7 -7.134 3.892 -6.303 1.00 0.00 O ATOM 0 H TYR A 7 -5.729 -1.945 -3.416 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.198 -0.788 -2.291 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.813 -2.044 -5.037 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.332 -1.474 -4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.865 -0.232 -5.023 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -10.016 0.717 -4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.367 2.020 -5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.509 2.962 -5.760 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.805 4.519 -5.960 1.00 0.00 H new ATOM 127 N ASP A 8 -8.994 -3.012 -1.588 1.00 0.00 N ATOM 128 CA ASP A 8 -9.369 -4.311 -1.043 1.00 0.00 C ATOM 129 C ASP A 8 -10.875 -4.550 -1.175 1.00 0.00 C ATOM 130 O ASP A 8 -11.579 -4.696 -0.175 1.00 0.00 O ATOM 131 CB ASP A 8 -8.947 -4.413 0.427 1.00 0.00 C ATOM 132 CG ASP A 8 -7.809 -5.393 0.633 1.00 0.00 C ATOM 133 OD1 ASP A 8 -6.931 -5.475 -0.250 1.00 0.00 O ATOM 134 OD2 ASP A 8 -7.798 -6.078 1.677 1.00 0.00 O ATOM 0 H ASP A 8 -9.540 -2.228 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.850 -5.079 -1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.645 -3.429 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.803 -4.722 1.028 1.00 0.00 H new ATOM 139 N SER A 9 -11.368 -4.590 -2.412 1.00 0.00 N ATOM 140 CA SER A 9 -12.791 -4.815 -2.649 1.00 0.00 C ATOM 141 C SER A 9 -13.098 -4.997 -4.134 1.00 0.00 C ATOM 142 O SER A 9 -12.195 -5.089 -4.964 1.00 0.00 O ATOM 143 CB SER A 9 -13.616 -3.658 -2.081 1.00 0.00 C ATOM 144 OG SER A 9 -14.940 -4.076 -1.791 1.00 0.00 O ATOM 0 H SER A 9 -10.809 -4.471 -3.257 1.00 0.00 H new ATOM 0 HA SER A 9 -13.065 -5.738 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.143 -3.279 -1.175 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.638 -2.836 -2.797 1.00 0.00 H new ATOM 0 HG SER A 9 -15.449 -3.322 -1.428 1.00 0.00 H new ATOM 150 N ASN A 10 -14.389 -5.043 -4.448 1.00 0.00 N ATOM 151 CA ASN A 10 -14.860 -5.212 -5.815 1.00 0.00 C ATOM 152 C ASN A 10 -14.954 -3.869 -6.529 1.00 0.00 C ATOM 153 O ASN A 10 -15.358 -3.799 -7.690 1.00 0.00 O ATOM 154 CB ASN A 10 -16.225 -5.905 -5.825 1.00 0.00 C ATOM 155 CG ASN A 10 -16.476 -6.659 -7.116 1.00 0.00 C ATOM 156 OD1 ASN A 10 -17.319 -6.269 -7.922 1.00 0.00 O ATOM 157 ND2 ASN A 10 -15.740 -7.747 -7.320 1.00 0.00 N ATOM 0 H ASN A 10 -15.138 -4.964 -3.760 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.140 -5.835 -6.346 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.285 -6.597 -4.985 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.009 -5.161 -5.682 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.864 -8.294 -8.172 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.052 -8.035 -6.625 1.00 0.00 H new ATOM 164 N ILE A 11 -14.563 -2.805 -5.835 1.00 0.00 N ATOM 165 CA ILE A 11 -14.590 -1.474 -6.414 1.00 0.00 C ATOM 166 C ILE A 11 -13.298 -1.204 -7.148 1.00 0.00 C ATOM 167 O ILE A 11 -13.125 -0.141 -7.745 1.00 0.00 O ATOM 168 CB ILE A 11 -14.726 -0.372 -5.347 1.00 0.00 C ATOM 169 CG1 ILE A 11 -15.613 -0.835 -4.185 1.00 0.00 C ATOM 170 CG2 ILE A 11 -15.238 0.907 -5.985 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.318 0.282 -3.441 1.00 0.00 C ATOM 0 H ILE A 11 -14.225 -2.842 -4.873 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.453 -1.449 -7.079 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.743 -0.164 -4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.363 -1.526 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.000 -1.393 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.331 1.681 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.538 1.236 -6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.213 0.723 -6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.921 -0.140 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -15.578 0.962 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.962 0.828 -4.130 1.00 0.00 H new ATOM 183 N HIS A 12 -12.366 -2.149 -7.071 1.00 0.00 N ATOM 184 CA HIS A 12 -11.083 -1.941 -7.709 1.00 0.00 C ATOM 185 C HIS A 12 -10.260 -3.229 -7.713 1.00 0.00 C ATOM 186 O HIS A 12 -10.323 -4.025 -6.777 1.00 0.00 O ATOM 187 CB HIS A 12 -10.374 -0.843 -6.930 1.00 0.00 C ATOM 188 CG HIS A 12 -9.374 -0.047 -7.697 1.00 0.00 C ATOM 189 ND1 HIS A 12 -9.557 1.070 -8.428 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -8.037 -0.318 -7.744 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.336 1.488 -8.943 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -7.451 0.618 -8.501 1.00 0.00 N flip ATOM 0 H HIS A 12 -12.474 -3.040 -6.586 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.213 -1.651 -8.752 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.126 -0.161 -6.533 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.872 -1.296 -6.075 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.539 -1.143 -7.256 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.151 2.346 -9.573 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.453 0.653 -8.708 1.00 0.00 H new ATOM 200 N LYS A 13 -9.494 -3.424 -8.775 1.00 0.00 N ATOM 201 CA LYS A 13 -8.657 -4.619 -8.912 1.00 0.00 C ATOM 202 C LYS A 13 -7.360 -4.472 -8.123 1.00 0.00 C ATOM 203 O LYS A 13 -7.031 -3.383 -7.652 1.00 0.00 O ATOM 204 CB LYS A 13 -8.348 -4.889 -10.387 1.00 0.00 C ATOM 205 CG LYS A 13 -8.457 -6.358 -10.780 1.00 0.00 C ATOM 206 CD LYS A 13 -7.099 -7.051 -10.758 1.00 0.00 C ATOM 207 CE LYS A 13 -6.634 -7.427 -12.158 1.00 0.00 C ATOM 208 NZ LYS A 13 -6.054 -8.800 -12.204 1.00 0.00 N ATOM 0 H LYS A 13 -9.430 -2.773 -9.558 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.211 -5.466 -8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.031 -4.306 -11.004 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.340 -4.537 -10.608 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.137 -6.868 -10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.889 -6.437 -11.778 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.363 -6.394 -10.295 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.158 -7.948 -10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.475 -7.366 -12.848 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.889 -6.707 -12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.219 -8.804 -12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.774 -9.091 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.763 -9.464 -12.574 1.00 0.00 H new ATOM 222 N CYS A 14 -6.626 -5.573 -7.979 1.00 0.00 N ATOM 223 CA CYS A 14 -5.365 -5.559 -7.242 1.00 0.00 C ATOM 224 C CYS A 14 -4.693 -6.931 -7.266 1.00 0.00 C ATOM 225 O CYS A 14 -5.178 -7.881 -6.652 1.00 0.00 O ATOM 226 CB CYS A 14 -5.604 -5.119 -5.796 1.00 0.00 C ATOM 227 SG CYS A 14 -7.087 -5.830 -5.038 1.00 0.00 S ATOM 0 H CYS A 14 -6.882 -6.483 -8.362 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.699 -4.847 -7.730 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.736 -5.394 -5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.680 -4.032 -5.767 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.536 -5.024 -4.122 1.00 0.00 H new ATOM 233 N VAL A 15 -3.575 -7.024 -7.980 1.00 0.00 N ATOM 234 CA VAL A 15 -2.835 -8.279 -8.085 1.00 0.00 C ATOM 235 C VAL A 15 -1.781 -8.400 -6.988 1.00 0.00 C ATOM 236 O VAL A 15 -1.640 -9.448 -6.357 1.00 0.00 O ATOM 237 CB VAL A 15 -2.136 -8.409 -9.453 1.00 0.00 C ATOM 238 CG1 VAL A 15 -3.158 -8.481 -10.575 1.00 0.00 C ATOM 239 CG2 VAL A 15 -1.166 -7.256 -9.680 1.00 0.00 C ATOM 0 H VAL A 15 -3.161 -6.246 -8.494 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.568 -9.078 -7.974 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.564 -9.337 -9.453 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.643 -8.572 -11.531 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.802 -9.348 -10.426 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.763 -7.575 -10.574 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.686 -7.371 -10.652 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.710 -6.312 -9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.407 -7.259 -8.898 1.00 0.00 H new ATOM 249 N TYR A 16 -1.029 -7.323 -6.782 1.00 0.00 N ATOM 250 CA TYR A 16 0.032 -7.300 -5.781 1.00 0.00 C ATOM 251 C TYR A 16 -0.508 -7.509 -4.370 1.00 0.00 C ATOM 252 O TYR A 16 0.230 -7.911 -3.472 1.00 0.00 O ATOM 253 CB TYR A 16 0.790 -5.976 -5.855 1.00 0.00 C ATOM 254 CG TYR A 16 1.532 -5.782 -7.156 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.285 -6.811 -7.705 1.00 0.00 C ATOM 256 CD2 TYR A 16 1.480 -4.573 -7.834 1.00 0.00 C ATOM 257 CE1 TYR A 16 2.966 -6.641 -8.894 1.00 0.00 C ATOM 258 CE2 TYR A 16 2.157 -4.394 -9.025 1.00 0.00 C ATOM 259 CZ TYR A 16 2.899 -5.430 -9.551 1.00 0.00 C ATOM 260 OH TYR A 16 3.576 -5.255 -10.736 1.00 0.00 O ATOM 0 H TYR A 16 -1.136 -6.450 -7.298 1.00 0.00 H new ATOM 0 HA TYR A 16 0.709 -8.126 -6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.086 -5.155 -5.721 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.500 -5.926 -5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.339 -7.761 -7.193 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.901 -3.759 -7.424 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.548 -7.452 -9.307 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.105 -3.447 -9.541 1.00 0.00 H new ATOM 0 HH TYR A 16 3.423 -4.346 -11.069 1.00 0.00 H new ATOM 270 N CYS A 17 -1.789 -7.227 -4.172 1.00 0.00 N ATOM 271 CA CYS A 17 -2.404 -7.387 -2.860 1.00 0.00 C ATOM 272 C CYS A 17 -2.380 -8.848 -2.418 1.00 0.00 C ATOM 273 O CYS A 17 -2.118 -9.150 -1.254 1.00 0.00 O ATOM 274 CB CYS A 17 -3.844 -6.873 -2.882 1.00 0.00 C ATOM 275 SG CYS A 17 -4.698 -7.009 -1.294 1.00 0.00 S ATOM 0 H CYS A 17 -2.420 -6.888 -4.898 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.827 -6.802 -2.144 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.841 -5.828 -3.193 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.406 -7.428 -3.634 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.604 -6.081 -1.208 1.00 0.00 H new ATOM 281 N ASP A 18 -2.656 -9.750 -3.353 1.00 0.00 N ATOM 282 CA ASP A 18 -2.674 -11.179 -3.061 1.00 0.00 C ATOM 283 C ASP A 18 -1.304 -11.672 -2.602 1.00 0.00 C ATOM 284 O ASP A 18 -1.174 -12.287 -1.542 1.00 0.00 O ATOM 285 CB ASP A 18 -3.116 -11.961 -4.299 1.00 0.00 C ATOM 286 CG ASP A 18 -3.518 -13.386 -3.969 1.00 0.00 C ATOM 287 OD1 ASP A 18 -4.697 -13.605 -3.621 1.00 0.00 O ATOM 288 OD2 ASP A 18 -2.652 -14.282 -4.058 1.00 0.00 O ATOM 0 H ASP A 18 -2.871 -9.516 -4.322 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.384 -11.345 -2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.956 -11.449 -4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.304 -11.974 -5.026 1.00 0.00 H new ATOM 293 N ASN A 19 -0.285 -11.411 -3.415 1.00 0.00 N ATOM 294 CA ASN A 19 1.075 -11.842 -3.099 1.00 0.00 C ATOM 295 C ASN A 19 1.645 -11.064 -1.916 1.00 0.00 C ATOM 296 O ASN A 19 2.138 -11.656 -0.956 1.00 0.00 O ATOM 297 CB ASN A 19 1.992 -11.693 -4.319 1.00 0.00 C ATOM 298 CG ASN A 19 1.749 -10.411 -5.093 1.00 0.00 C ATOM 299 OD1 ASN A 19 1.925 -9.312 -4.568 1.00 0.00 O ATOM 300 ND2 ASN A 19 1.345 -10.549 -6.351 1.00 0.00 N ATOM 0 H ASN A 19 -0.373 -10.904 -4.296 1.00 0.00 H new ATOM 0 HA ASN A 19 1.027 -12.895 -2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.031 -11.721 -3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.845 -12.545 -4.983 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.168 -9.723 -6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.212 -11.481 -6.745 1.00 0.00 H new ATOM 307 N ALA A 20 1.577 -9.738 -1.988 1.00 0.00 N ATOM 308 CA ALA A 20 2.091 -8.890 -0.917 1.00 0.00 C ATOM 309 C ALA A 20 1.528 -9.308 0.437 1.00 0.00 C ATOM 310 O ALA A 20 2.224 -9.264 1.449 1.00 0.00 O ATOM 311 CB ALA A 20 1.770 -7.432 -1.197 1.00 0.00 C ATOM 0 H ALA A 20 1.173 -9.229 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 20 3.174 -9.012 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.160 -6.812 -0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.230 -7.133 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.690 -7.304 -1.264 1.00 0.00 H new ATOM 317 N LYS A 21 0.266 -9.726 0.447 1.00 0.00 N ATOM 318 CA LYS A 21 -0.380 -10.158 1.680 1.00 0.00 C ATOM 319 C LYS A 21 0.335 -11.372 2.259 1.00 0.00 C ATOM 320 O LYS A 21 0.809 -11.344 3.395 1.00 0.00 O ATOM 321 CB LYS A 21 -1.852 -10.491 1.423 1.00 0.00 C ATOM 322 CG LYS A 21 -2.592 -10.968 2.662 1.00 0.00 C ATOM 323 CD LYS A 21 -4.061 -11.228 2.369 1.00 0.00 C ATOM 324 CE LYS A 21 -4.951 -10.726 3.495 1.00 0.00 C ATOM 325 NZ LYS A 21 -6.361 -11.176 3.333 1.00 0.00 N ATOM 0 H LYS A 21 -0.327 -9.774 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.324 -9.342 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.353 -9.607 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.913 -11.261 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.128 -11.881 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.504 -10.220 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.340 -10.737 1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.221 -12.297 2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.564 -11.082 4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.919 -9.637 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.934 -10.812 4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.740 -10.815 2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.396 -12.215 3.331 1.00 0.00 H new ATOM 339 N ARG A 22 0.416 -12.437 1.466 1.00 0.00 N ATOM 340 CA ARG A 22 1.082 -13.661 1.900 1.00 0.00 C ATOM 341 C ARG A 22 2.575 -13.421 2.112 1.00 0.00 C ATOM 342 O ARG A 22 3.227 -14.139 2.869 1.00 0.00 O ATOM 343 CB ARG A 22 0.874 -14.776 0.873 1.00 0.00 C ATOM 344 CG ARG A 22 1.332 -16.141 1.361 1.00 0.00 C ATOM 345 CD ARG A 22 0.632 -17.267 0.616 1.00 0.00 C ATOM 346 NE ARG A 22 1.475 -18.455 0.507 1.00 0.00 N ATOM 347 CZ ARG A 22 1.028 -19.651 0.131 1.00 0.00 C ATOM 348 NH1 ARG A 22 -0.252 -19.823 -0.174 1.00 0.00 N ATOM 349 NH2 ARG A 22 1.864 -20.678 0.059 1.00 0.00 N ATOM 0 H ARG A 22 0.030 -12.477 0.523 1.00 0.00 H new ATOM 0 HA ARG A 22 0.641 -13.966 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.183 -14.828 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.415 -14.525 -0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.410 -16.232 1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.133 -16.232 2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.293 -17.524 1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.355 -16.925 -0.381 1.00 0.00 H new ATOM 0 HE ARG A 22 2.465 -18.362 0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.899 -19.036 -0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.589 -20.742 -0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.849 -20.551 0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.522 -21.595 -0.229 1.00 0.00 H new ATOM 363 N LEU A 23 3.106 -12.400 1.444 1.00 0.00 N ATOM 364 CA LEU A 23 4.518 -12.054 1.560 1.00 0.00 C ATOM 365 C LEU A 23 4.872 -11.749 3.009 1.00 0.00 C ATOM 366 O LEU A 23 5.738 -12.392 3.600 1.00 0.00 O ATOM 367 CB LEU A 23 4.825 -10.838 0.678 1.00 0.00 C ATOM 368 CG LEU A 23 6.303 -10.460 0.552 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.482 -9.392 -0.515 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.850 -9.968 1.882 1.00 0.00 C ATOM 0 H LEU A 23 2.577 -11.797 0.815 1.00 0.00 H new ATOM 0 HA LEU A 23 5.118 -12.901 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.432 -11.029 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.283 -9.980 1.075 1.00 0.00 H new ATOM 0 HG LEU A 23 6.860 -11.350 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.537 -9.131 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.128 -9.772 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.909 -8.506 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.902 -9.705 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.289 -9.090 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.752 -10.755 2.629 1.00 0.00 H new ATOM 382 N LEU A 24 4.189 -10.761 3.571 1.00 0.00 N ATOM 383 CA LEU A 24 4.422 -10.356 4.952 1.00 0.00 C ATOM 384 C LEU A 24 4.080 -11.491 5.911 1.00 0.00 C ATOM 385 O LEU A 24 4.780 -11.715 6.899 1.00 0.00 O ATOM 386 CB LEU A 24 3.594 -9.113 5.287 1.00 0.00 C ATOM 387 CG LEU A 24 3.517 -8.065 4.173 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.749 -6.841 4.638 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.910 -7.669 3.711 1.00 0.00 C ATOM 0 H LEU A 24 3.467 -10.224 3.091 1.00 0.00 H new ATOM 0 HA LEU A 24 5.479 -10.116 5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.581 -9.427 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.014 -8.645 6.177 1.00 0.00 H new ATOM 0 HG LEU A 24 2.985 -8.507 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.707 -6.110 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.736 -7.131 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.252 -6.402 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.833 -6.924 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.466 -7.251 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.431 -8.548 3.332 1.00 0.00 H new ATOM 401 N THR A 25 3.003 -12.209 5.608 1.00 0.00 N ATOM 402 CA THR A 25 2.574 -13.326 6.440 1.00 0.00 C ATOM 403 C THR A 25 3.638 -14.417 6.456 1.00 0.00 C ATOM 404 O THR A 25 3.907 -15.026 7.492 1.00 0.00 O ATOM 405 CB THR A 25 1.250 -13.894 5.926 1.00 0.00 C ATOM 406 OG1 THR A 25 0.284 -12.867 5.787 1.00 0.00 O ATOM 407 CG2 THR A 25 0.663 -14.956 6.829 1.00 0.00 C ATOM 0 H THR A 25 2.413 -12.037 4.794 1.00 0.00 H new ATOM 0 HA THR A 25 2.430 -12.962 7.457 1.00 0.00 H new ATOM 0 HB THR A 25 1.486 -14.348 4.964 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.459 -12.362 4.965 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.275 -15.316 6.406 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.364 -15.786 6.917 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.477 -14.532 7.816 1.00 0.00 H new ATOM 415 N VAL A 26 4.248 -14.650 5.297 1.00 0.00 N ATOM 416 CA VAL A 26 5.291 -15.660 5.167 1.00 0.00 C ATOM 417 C VAL A 26 6.522 -15.272 5.982 1.00 0.00 C ATOM 418 O VAL A 26 7.086 -16.095 6.704 1.00 0.00 O ATOM 419 CB VAL A 26 5.689 -15.858 3.686 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.964 -16.680 3.561 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.553 -16.514 2.916 1.00 0.00 C ATOM 0 H VAL A 26 4.036 -14.151 4.433 1.00 0.00 H new ATOM 0 HA VAL A 26 4.892 -16.599 5.551 1.00 0.00 H new ATOM 0 HB VAL A 26 5.883 -14.876 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.217 -16.801 2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.779 -16.168 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.811 -17.660 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.848 -16.647 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.328 -17.485 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.667 -15.880 2.964 1.00 0.00 H new ATOM 431 N LYS A 27 6.932 -14.013 5.863 1.00 0.00 N ATOM 432 CA LYS A 27 8.095 -13.516 6.589 1.00 0.00 C ATOM 433 C LYS A 27 7.813 -13.422 8.089 1.00 0.00 C ATOM 434 O LYS A 27 8.732 -13.243 8.889 1.00 0.00 O ATOM 435 CB LYS A 27 8.516 -12.149 6.043 1.00 0.00 C ATOM 436 CG LYS A 27 9.704 -12.217 5.095 1.00 0.00 C ATOM 437 CD LYS A 27 9.266 -12.102 3.644 1.00 0.00 C ATOM 438 CE LYS A 27 10.058 -13.038 2.747 1.00 0.00 C ATOM 439 NZ LYS A 27 9.428 -14.385 2.657 1.00 0.00 N ATOM 0 H LYS A 27 6.476 -13.319 5.271 1.00 0.00 H new ATOM 0 HA LYS A 27 8.911 -14.224 6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.671 -11.698 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.764 -11.493 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.404 -11.415 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.235 -13.157 5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.204 -12.332 3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.396 -11.074 3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.135 -12.606 1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.073 -13.137 3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.979 -14.984 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.408 -14.822 3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.456 -14.291 2.298 1.00 0.00 H new ATOM 453 N LYS A 28 6.539 -13.548 8.466 1.00 0.00 N ATOM 454 CA LYS A 28 6.134 -13.483 9.872 1.00 0.00 C ATOM 455 C LYS A 28 6.095 -12.041 10.371 1.00 0.00 C ATOM 456 O LYS A 28 6.693 -11.710 11.395 1.00 0.00 O ATOM 457 CB LYS A 28 7.077 -14.315 10.748 1.00 0.00 C ATOM 458 CG LYS A 28 6.366 -15.081 11.851 1.00 0.00 C ATOM 459 CD LYS A 28 6.107 -16.524 11.450 1.00 0.00 C ATOM 460 CE LYS A 28 4.692 -16.711 10.928 1.00 0.00 C ATOM 461 NZ LYS A 28 3.760 -17.163 11.998 1.00 0.00 N ATOM 0 H LYS A 28 5.768 -13.696 7.815 1.00 0.00 H new ATOM 0 HA LYS A 28 5.129 -13.898 9.943 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.617 -15.021 10.117 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.820 -13.655 11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.969 -15.057 12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.420 -14.592 12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.821 -16.824 10.683 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.269 -17.176 12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.333 -15.772 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.697 -17.441 10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.806 -17.279 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.088 -18.072 12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.735 -16.454 12.759 1.00 0.00 H new ATOM 475 N GLN A 29 5.380 -11.189 9.647 1.00 0.00 N ATOM 476 CA GLN A 29 5.259 -9.787 10.021 1.00 0.00 C ATOM 477 C GLN A 29 3.818 -9.308 9.865 1.00 0.00 C ATOM 478 O GLN A 29 3.152 -9.636 8.883 1.00 0.00 O ATOM 479 CB GLN A 29 6.193 -8.926 9.169 1.00 0.00 C ATOM 480 CG GLN A 29 7.607 -9.477 9.069 1.00 0.00 C ATOM 481 CD GLN A 29 8.394 -9.307 10.353 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.870 -10.416 10.907 1.00 0.00 O flip ATOM 483 NE2 GLN A 29 8.577 -8.190 10.840 1.00 0.00 N flip ATOM 0 H GLN A 29 4.876 -11.445 8.798 1.00 0.00 H new ATOM 0 HA GLN A 29 5.545 -9.688 11.068 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.776 -8.835 8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.232 -7.921 9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.563 -10.535 8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.132 -8.974 8.257 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.193 -7.364 10.381 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.113 -8.091 11.702 1.00 0.00 H new ATOM 492 N PRO A 30 3.315 -8.517 10.829 1.00 0.00 N ATOM 493 CA PRO A 30 1.948 -7.991 10.785 1.00 0.00 C ATOM 494 C PRO A 30 1.842 -6.772 9.885 1.00 0.00 C ATOM 495 O PRO A 30 2.844 -6.120 9.602 1.00 0.00 O ATOM 496 CB PRO A 30 1.704 -7.590 12.235 1.00 0.00 C ATOM 497 CG PRO A 30 3.042 -7.127 12.692 1.00 0.00 C ATOM 498 CD PRO A 30 4.032 -8.059 12.040 1.00 0.00 C ATOM 0 HA PRO A 30 1.232 -8.711 10.389 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.957 -6.800 12.314 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.344 -8.430 12.830 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.222 -6.093 12.397 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.122 -7.167 13.778 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.962 -7.548 11.789 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.292 -8.892 12.693 1.00 0.00 H new ATOM 506 N PHE A 31 0.630 -6.462 9.440 1.00 0.00 N ATOM 507 CA PHE A 31 0.414 -5.309 8.576 1.00 0.00 C ATOM 508 C PHE A 31 -1.053 -4.887 8.560 1.00 0.00 C ATOM 509 O PHE A 31 -1.920 -5.598 9.069 1.00 0.00 O ATOM 510 CB PHE A 31 0.876 -5.615 7.166 1.00 0.00 C ATOM 511 CG PHE A 31 0.188 -6.806 6.596 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.602 -8.073 6.946 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.882 -6.661 5.737 1.00 0.00 C ATOM 514 CE1 PHE A 31 -0.038 -9.186 6.449 1.00 0.00 C ATOM 515 CE2 PHE A 31 -1.530 -7.768 5.230 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.109 -9.036 5.587 1.00 0.00 C ATOM 0 H PHE A 31 -0.214 -6.990 9.662 1.00 0.00 H new ATOM 0 HA PHE A 31 1.000 -4.482 8.978 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.690 -4.750 6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.953 -5.785 7.167 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.439 -8.194 7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.215 -5.672 5.459 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.295 -10.174 6.732 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.364 -7.645 4.556 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.615 -9.906 5.194 1.00 0.00 H new ATOM 526 N GLU A 32 -1.326 -3.732 7.955 1.00 0.00 N ATOM 527 CA GLU A 32 -2.689 -3.220 7.857 1.00 0.00 C ATOM 528 C GLU A 32 -2.950 -2.641 6.469 1.00 0.00 C ATOM 529 O GLU A 32 -2.121 -1.914 5.922 1.00 0.00 O ATOM 530 CB GLU A 32 -2.937 -2.152 8.925 1.00 0.00 C ATOM 531 CG GLU A 32 -3.959 -2.567 9.971 1.00 0.00 C ATOM 532 CD GLU A 32 -5.359 -2.692 9.402 1.00 0.00 C ATOM 533 OE1 GLU A 32 -5.487 -2.845 8.169 1.00 0.00 O ATOM 534 OE2 GLU A 32 -6.327 -2.637 10.189 1.00 0.00 O ATOM 0 H GLU A 32 -0.620 -3.134 7.526 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.376 -4.050 8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.995 -1.920 9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.276 -1.236 8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.661 -3.521 10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.963 -1.836 10.779 1.00 0.00 H new ATOM 541 N PHE A 33 -4.104 -2.976 5.904 1.00 0.00 N ATOM 542 CA PHE A 33 -4.478 -2.500 4.582 1.00 0.00 C ATOM 543 C PHE A 33 -5.229 -1.175 4.662 1.00 0.00 C ATOM 544 O PHE A 33 -5.805 -0.835 5.695 1.00 0.00 O ATOM 545 CB PHE A 33 -5.354 -3.543 3.893 1.00 0.00 C ATOM 546 CG PHE A 33 -5.300 -3.476 2.398 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.213 -3.983 1.714 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.339 -2.911 1.681 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.160 -3.930 0.333 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.294 -2.853 0.302 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.204 -3.363 -0.374 1.00 0.00 C ATOM 0 H PHE A 33 -4.799 -3.579 6.345 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.566 -2.340 4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.043 -4.537 4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.386 -3.411 4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.395 -4.426 2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.194 -2.511 2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.305 -4.331 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.111 -2.409 -0.247 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.167 -3.319 -1.452 1.00 0.00 H new ATOM 561 N ILE A 34 -5.229 -0.440 3.555 1.00 0.00 N ATOM 562 CA ILE A 34 -5.921 0.839 3.478 1.00 0.00 C ATOM 563 C ILE A 34 -6.444 1.069 2.070 1.00 0.00 C ATOM 564 O ILE A 34 -5.685 1.079 1.102 1.00 0.00 O ATOM 565 CB ILE A 34 -5.021 2.020 3.880 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.212 1.668 5.125 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.863 3.264 4.124 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.146 2.686 5.460 1.00 0.00 C ATOM 0 H ILE A 34 -4.754 -0.712 2.694 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.749 0.792 4.186 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.328 2.226 3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.890 1.571 5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.742 0.696 4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.214 4.093 4.408 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.404 3.522 3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.575 3.070 4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.611 2.371 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.446 2.767 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.612 3.655 5.637 1.00 0.00 H new ATOM 580 N ASN A 35 -7.749 1.239 1.971 1.00 0.00 N ATOM 581 CA ASN A 35 -8.401 1.457 0.687 1.00 0.00 C ATOM 582 C ASN A 35 -8.469 2.939 0.346 1.00 0.00 C ATOM 583 O ASN A 35 -8.953 3.747 1.140 1.00 0.00 O ATOM 584 CB ASN A 35 -9.812 0.866 0.702 1.00 0.00 C ATOM 585 CG ASN A 35 -9.824 -0.593 1.111 1.00 0.00 C ATOM 586 OD1 ASN A 35 -8.786 -1.255 1.121 1.00 0.00 O ATOM 587 ND2 ASN A 35 -11.002 -1.104 1.450 1.00 0.00 N ATOM 0 H ASN A 35 -8.385 1.231 2.769 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.806 0.956 -0.077 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.435 1.438 1.389 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.255 0.966 -0.289 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.072 -2.081 1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.837 -0.519 1.427 1.00 0.00 H new ATOM 594 N ILE A 36 -7.991 3.289 -0.843 1.00 0.00 N ATOM 595 CA ILE A 36 -8.012 4.674 -1.289 1.00 0.00 C ATOM 596 C ILE A 36 -9.186 4.929 -2.230 1.00 0.00 C ATOM 597 O ILE A 36 -9.172 5.875 -3.012 1.00 0.00 O ATOM 598 CB ILE A 36 -6.695 5.069 -1.983 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.486 4.264 -3.266 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.527 4.868 -1.035 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.775 5.045 -4.349 1.00 0.00 C ATOM 0 H ILE A 36 -7.586 2.634 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.129 5.292 -0.399 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.754 6.123 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.910 3.368 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.454 3.933 -3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.600 5.150 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.666 5.489 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.475 3.820 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.658 4.418 -5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.361 5.927 -4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.793 5.353 -3.990 1.00 0.00 H new ATOM 613 N MET A 37 -10.204 4.077 -2.128 1.00 0.00 N ATOM 614 CA MET A 37 -11.407 4.191 -2.949 1.00 0.00 C ATOM 615 C MET A 37 -12.579 3.520 -2.243 1.00 0.00 C ATOM 616 O MET A 37 -12.962 2.400 -2.579 1.00 0.00 O ATOM 617 CB MET A 37 -11.189 3.568 -4.335 1.00 0.00 C ATOM 618 CG MET A 37 -12.462 3.399 -5.158 1.00 0.00 C ATOM 619 SD MET A 37 -12.397 4.226 -6.766 1.00 0.00 S ATOM 620 CE MET A 37 -10.735 3.842 -7.318 1.00 0.00 C ATOM 0 H MET A 37 -10.218 3.292 -1.477 1.00 0.00 H new ATOM 0 HA MET A 37 -11.632 5.248 -3.089 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.490 4.190 -4.894 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.719 2.592 -4.211 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.647 2.336 -5.312 1.00 0.00 H new ATOM 0 HG3 MET A 37 -13.307 3.790 -4.591 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.663 4.002 -8.394 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.023 4.490 -6.807 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.507 2.801 -7.090 1.00 0.00 H new ATOM 630 N PRO A 38 -13.153 4.199 -1.237 1.00 0.00 N ATOM 631 CA PRO A 38 -14.276 3.670 -0.462 1.00 0.00 C ATOM 632 C PRO A 38 -15.620 3.831 -1.171 1.00 0.00 C ATOM 633 O PRO A 38 -16.671 3.821 -0.530 1.00 0.00 O ATOM 634 CB PRO A 38 -14.239 4.515 0.810 1.00 0.00 C ATOM 635 CG PRO A 38 -13.675 5.826 0.378 1.00 0.00 C ATOM 636 CD PRO A 38 -12.735 5.533 -0.763 1.00 0.00 C ATOM 0 HA PRO A 38 -14.183 2.597 -0.293 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.235 4.634 1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.618 4.050 1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.468 6.504 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.148 6.311 1.200 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.819 6.281 -1.551 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.696 5.532 -0.434 1.00 0.00 H new ATOM 644 N GLU A 39 -15.587 3.976 -2.493 1.00 0.00 N ATOM 645 CA GLU A 39 -16.809 4.135 -3.270 1.00 0.00 C ATOM 646 C GLU A 39 -16.664 3.515 -4.656 1.00 0.00 C ATOM 647 O GLU A 39 -15.553 3.348 -5.153 1.00 0.00 O ATOM 648 CB GLU A 39 -17.163 5.616 -3.400 1.00 0.00 C ATOM 649 CG GLU A 39 -18.656 5.874 -3.511 1.00 0.00 C ATOM 650 CD GLU A 39 -19.116 7.024 -2.636 1.00 0.00 C ATOM 651 OE1 GLU A 39 -18.255 7.807 -2.182 1.00 0.00 O ATOM 652 OE2 GLU A 39 -20.337 7.140 -2.404 1.00 0.00 O ATOM 0 H GLU A 39 -14.730 3.986 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.611 3.617 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.773 6.152 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.665 6.025 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.907 6.089 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.199 4.971 -3.232 1.00 0.00 H new ATOM 659 N LYS A 40 -17.803 3.185 -5.268 1.00 0.00 N ATOM 660 CA LYS A 40 -17.852 2.572 -6.603 1.00 0.00 C ATOM 661 C LYS A 40 -16.970 3.270 -7.633 1.00 0.00 C ATOM 662 O LYS A 40 -16.787 2.776 -8.745 1.00 0.00 O ATOM 663 CB LYS A 40 -19.293 2.519 -7.108 1.00 0.00 C ATOM 664 CG LYS A 40 -19.889 3.888 -7.391 1.00 0.00 C ATOM 665 CD LYS A 40 -20.989 3.808 -8.435 1.00 0.00 C ATOM 666 CE LYS A 40 -20.456 4.097 -9.828 1.00 0.00 C ATOM 667 NZ LYS A 40 -21.422 3.694 -10.886 1.00 0.00 N ATOM 0 H LYS A 40 -18.722 3.335 -4.853 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.454 1.564 -6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.328 1.921 -8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.910 2.009 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -20.290 4.310 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.106 4.563 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.439 2.816 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -21.777 4.521 -8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.239 5.161 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.515 3.566 -9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.021 3.908 -11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.610 2.674 -10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.311 4.219 -10.762 1.00 0.00 H new ATOM 681 N GLY A 41 -16.437 4.405 -7.260 1.00 0.00 N ATOM 682 CA GLY A 41 -15.575 5.156 -8.153 1.00 0.00 C ATOM 683 C GLY A 41 -15.139 6.480 -7.562 1.00 0.00 C ATOM 684 O GLY A 41 -15.193 7.512 -8.231 1.00 0.00 O ATOM 0 H GLY A 41 -16.581 4.834 -6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.694 4.559 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -16.099 5.336 -9.092 1.00 0.00 H new ATOM 688 N VAL A 42 -14.702 6.454 -6.308 1.00 0.00 N ATOM 689 CA VAL A 42 -14.258 7.668 -5.640 1.00 0.00 C ATOM 690 C VAL A 42 -13.186 7.382 -4.600 1.00 0.00 C ATOM 691 O VAL A 42 -13.405 6.634 -3.649 1.00 0.00 O ATOM 692 CB VAL A 42 -15.423 8.393 -4.946 1.00 0.00 C ATOM 693 CG1 VAL A 42 -15.026 9.814 -4.577 1.00 0.00 C ATOM 694 CG2 VAL A 42 -16.660 8.389 -5.829 1.00 0.00 C ATOM 0 H VAL A 42 -14.646 5.610 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.844 8.305 -6.422 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.661 7.857 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.864 10.310 -4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.172 9.789 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.757 10.363 -5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.473 8.907 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.439 8.897 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.957 7.361 -6.034 1.00 0.00 H new ATOM 704 N PHE A 43 -12.029 7.995 -4.788 1.00 0.00 N ATOM 705 CA PHE A 43 -10.914 7.832 -3.861 1.00 0.00 C ATOM 706 C PHE A 43 -11.235 8.495 -2.521 1.00 0.00 C ATOM 707 O PHE A 43 -12.221 9.223 -2.402 1.00 0.00 O ATOM 708 CB PHE A 43 -9.623 8.440 -4.429 1.00 0.00 C ATOM 709 CG PHE A 43 -9.542 8.449 -5.931 1.00 0.00 C ATOM 710 CD1 PHE A 43 -10.040 7.392 -6.676 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.965 9.519 -6.594 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.964 7.403 -8.055 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.885 9.536 -7.973 1.00 0.00 C ATOM 714 CZ PHE A 43 -9.386 8.476 -8.705 1.00 0.00 C ATOM 0 H PHE A 43 -11.834 8.613 -5.576 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.762 6.763 -3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.530 9.464 -4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.772 7.884 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.493 6.550 -6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.573 10.350 -6.026 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.356 6.573 -8.625 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.432 10.376 -8.478 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.326 8.487 -9.783 1.00 0.00 H new ATOM 724 N ASP A 44 -10.392 8.252 -1.521 1.00 0.00 N ATOM 725 CA ASP A 44 -10.587 8.837 -0.195 1.00 0.00 C ATOM 726 C ASP A 44 -9.776 10.123 -0.043 1.00 0.00 C ATOM 727 O ASP A 44 -8.555 10.086 0.102 1.00 0.00 O ATOM 728 CB ASP A 44 -10.190 7.834 0.890 1.00 0.00 C ATOM 729 CG ASP A 44 -10.826 8.152 2.230 1.00 0.00 C ATOM 730 OD1 ASP A 44 -11.977 7.724 2.457 1.00 0.00 O ATOM 731 OD2 ASP A 44 -10.173 8.829 3.050 1.00 0.00 O ATOM 0 H ASP A 44 -9.569 7.655 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.643 9.082 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.484 6.831 0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.105 7.829 0.997 1.00 0.00 H new ATOM 736 N ASP A 45 -10.465 11.260 -0.081 1.00 0.00 N ATOM 737 CA ASP A 45 -9.813 12.563 0.041 1.00 0.00 C ATOM 738 C ASP A 45 -8.995 12.672 1.326 1.00 0.00 C ATOM 739 O ASP A 45 -8.006 13.404 1.379 1.00 0.00 O ATOM 740 CB ASP A 45 -10.857 13.681 0.001 1.00 0.00 C ATOM 741 CG ASP A 45 -11.902 13.538 1.090 1.00 0.00 C ATOM 742 OD1 ASP A 45 -11.597 13.874 2.254 1.00 0.00 O ATOM 743 OD2 ASP A 45 -13.026 13.089 0.780 1.00 0.00 O ATOM 0 H ASP A 45 -11.477 11.307 -0.196 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.130 12.666 -0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.357 14.644 0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.348 13.680 -0.972 1.00 0.00 H new ATOM 748 N GLU A 46 -9.414 11.955 2.364 1.00 0.00 N ATOM 749 CA GLU A 46 -8.714 11.993 3.645 1.00 0.00 C ATOM 750 C GLU A 46 -7.330 11.360 3.540 1.00 0.00 C ATOM 751 O GLU A 46 -6.324 11.991 3.866 1.00 0.00 O ATOM 752 CB GLU A 46 -9.532 11.280 4.724 1.00 0.00 C ATOM 753 CG GLU A 46 -11.007 11.645 4.712 1.00 0.00 C ATOM 754 CD GLU A 46 -11.389 12.574 5.847 1.00 0.00 C ATOM 755 OE1 GLU A 46 -10.997 13.760 5.802 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.080 12.118 6.782 1.00 0.00 O ATOM 0 H GLU A 46 -10.230 11.344 2.345 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.591 13.040 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.432 10.203 4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.115 11.520 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.252 12.119 3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.603 10.735 4.777 1.00 0.00 H new ATOM 763 N LYS A 47 -7.284 10.112 3.091 1.00 0.00 N ATOM 764 CA LYS A 47 -6.020 9.401 2.950 1.00 0.00 C ATOM 765 C LYS A 47 -5.189 9.987 1.814 1.00 0.00 C ATOM 766 O LYS A 47 -3.982 10.183 1.953 1.00 0.00 O ATOM 767 CB LYS A 47 -6.266 7.911 2.703 1.00 0.00 C ATOM 768 CG LYS A 47 -7.371 7.323 3.568 1.00 0.00 C ATOM 769 CD LYS A 47 -6.848 6.213 4.467 1.00 0.00 C ATOM 770 CE LYS A 47 -6.506 6.734 5.853 1.00 0.00 C ATOM 771 NZ LYS A 47 -5.476 5.893 6.524 1.00 0.00 N ATOM 0 H LYS A 47 -8.106 9.572 2.819 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.465 9.518 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.520 7.763 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.342 7.363 2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.812 8.110 4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.164 6.932 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.597 5.425 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.962 5.765 4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.144 7.759 5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.408 6.760 6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.271 6.282 7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.831 4.920 6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.606 5.889 5.954 1.00 0.00 H new ATOM 785 N ILE A 48 -5.844 10.277 0.693 1.00 0.00 N ATOM 786 CA ILE A 48 -5.163 10.845 -0.466 1.00 0.00 C ATOM 787 C ILE A 48 -4.355 12.077 -0.068 1.00 0.00 C ATOM 788 O ILE A 48 -3.192 12.216 -0.443 1.00 0.00 O ATOM 789 CB ILE A 48 -6.172 11.218 -1.584 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.390 10.030 -2.524 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.700 12.432 -2.376 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.175 8.898 -1.900 1.00 0.00 C ATOM 0 H ILE A 48 -6.845 10.128 0.563 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.484 10.084 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.118 11.473 -1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.913 10.375 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.421 9.652 -2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.429 12.667 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.595 13.285 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.737 12.213 -2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.290 8.092 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.643 8.526 -1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -8.159 9.259 -1.600 1.00 0.00 H new ATOM 804 N ALA A 49 -4.983 12.967 0.693 1.00 0.00 N ATOM 805 CA ALA A 49 -4.325 14.189 1.139 1.00 0.00 C ATOM 806 C ALA A 49 -3.073 13.867 1.943 1.00 0.00 C ATOM 807 O ALA A 49 -1.978 14.336 1.628 1.00 0.00 O ATOM 808 CB ALA A 49 -5.284 15.032 1.966 1.00 0.00 C ATOM 0 H ALA A 49 -5.946 12.865 1.013 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.027 14.759 0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.780 15.942 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.152 15.295 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.609 14.464 2.838 1.00 0.00 H new ATOM 814 N GLU A 50 -3.244 13.059 2.980 1.00 0.00 N ATOM 815 CA GLU A 50 -2.131 12.664 3.832 1.00 0.00 C ATOM 816 C GLU A 50 -1.105 11.865 3.035 1.00 0.00 C ATOM 817 O GLU A 50 0.089 11.904 3.328 1.00 0.00 O ATOM 818 CB GLU A 50 -2.641 11.836 5.017 1.00 0.00 C ATOM 819 CG GLU A 50 -1.547 11.091 5.769 1.00 0.00 C ATOM 820 CD GLU A 50 -1.611 11.313 7.268 1.00 0.00 C ATOM 821 OE1 GLU A 50 -2.653 10.984 7.873 1.00 0.00 O ATOM 822 OE2 GLU A 50 -0.619 11.817 7.837 1.00 0.00 O ATOM 0 H GLU A 50 -4.144 12.664 3.252 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.649 13.565 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.160 12.496 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.374 11.115 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.630 10.024 5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.574 11.413 5.399 1.00 0.00 H new ATOM 829 N LEU A 51 -1.578 11.140 2.027 1.00 0.00 N ATOM 830 CA LEU A 51 -0.705 10.325 1.200 1.00 0.00 C ATOM 831 C LEU A 51 0.357 11.189 0.531 1.00 0.00 C ATOM 832 O LEU A 51 1.552 10.918 0.645 1.00 0.00 O ATOM 833 CB LEU A 51 -1.526 9.582 0.146 1.00 0.00 C ATOM 834 CG LEU A 51 -0.869 8.327 -0.418 1.00 0.00 C ATOM 835 CD1 LEU A 51 -1.759 7.679 -1.461 1.00 0.00 C ATOM 836 CD2 LEU A 51 0.491 8.637 -1.004 1.00 0.00 C ATOM 0 H LEU A 51 -2.563 11.102 1.765 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.204 9.595 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.486 9.306 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.735 10.265 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.730 7.626 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.272 6.785 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.711 7.404 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.935 8.381 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.934 7.723 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.383 9.364 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.137 9.048 -0.228 1.00 0.00 H new ATOM 848 N LEU A 52 -0.082 12.239 -0.161 1.00 0.00 N ATOM 849 CA LEU A 52 0.829 13.144 -0.835 1.00 0.00 C ATOM 850 C LEU A 52 1.874 13.687 0.128 1.00 0.00 C ATOM 851 O LEU A 52 3.074 13.631 -0.140 1.00 0.00 O ATOM 852 CB LEU A 52 0.028 14.266 -1.438 1.00 0.00 C ATOM 853 CG LEU A 52 -1.118 13.782 -2.311 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.612 14.918 -3.138 1.00 0.00 C ATOM 855 CD2 LEU A 52 -0.682 12.626 -3.202 1.00 0.00 C ATOM 0 H LEU A 52 -1.068 12.479 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 52 1.362 12.606 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.371 14.889 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.689 14.896 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.921 13.417 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.435 14.579 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.960 15.719 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.803 15.289 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.523 12.302 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.133 12.952 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.344 11.796 -2.582 1.00 0.00 H new ATOM 867 N THR A 53 1.405 14.197 1.261 1.00 0.00 N ATOM 868 CA THR A 53 2.296 14.737 2.279 1.00 0.00 C ATOM 869 C THR A 53 3.240 13.653 2.787 1.00 0.00 C ATOM 870 O THR A 53 4.410 13.913 3.071 1.00 0.00 O ATOM 871 CB THR A 53 1.488 15.315 3.442 1.00 0.00 C ATOM 872 OG1 THR A 53 0.549 16.268 2.976 1.00 0.00 O ATOM 873 CG2 THR A 53 2.346 15.991 4.490 1.00 0.00 C ATOM 0 H THR A 53 0.414 14.248 1.497 1.00 0.00 H new ATOM 0 HA THR A 53 2.887 15.536 1.831 1.00 0.00 H new ATOM 0 HB THR A 53 0.990 14.460 3.900 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.041 16.625 3.734 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.710 16.379 5.286 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.049 15.269 4.906 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.898 16.813 4.034 1.00 0.00 H new ATOM 881 N LYS A 54 2.722 12.432 2.889 1.00 0.00 N ATOM 882 CA LYS A 54 3.513 11.299 3.354 1.00 0.00 C ATOM 883 C LYS A 54 4.617 10.964 2.357 1.00 0.00 C ATOM 884 O LYS A 54 5.738 10.634 2.745 1.00 0.00 O ATOM 885 CB LYS A 54 2.616 10.077 3.569 1.00 0.00 C ATOM 886 CG LYS A 54 2.086 9.953 4.988 1.00 0.00 C ATOM 887 CD LYS A 54 1.110 8.795 5.120 1.00 0.00 C ATOM 888 CE LYS A 54 1.377 7.980 6.375 1.00 0.00 C ATOM 889 NZ LYS A 54 0.982 8.714 7.609 1.00 0.00 N ATOM 0 H LYS A 54 1.756 12.203 2.655 1.00 0.00 H new ATOM 0 HA LYS A 54 3.974 11.573 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.774 10.129 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.177 9.176 3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.918 9.809 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.592 10.881 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.090 9.179 5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.187 8.151 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.828 7.040 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.436 7.728 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.180 8.124 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.524 9.599 7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.034 8.932 7.573 1.00 0.00 H new ATOM 903 N LEU A 55 4.295 11.056 1.070 1.00 0.00 N ATOM 904 CA LEU A 55 5.264 10.767 0.019 1.00 0.00 C ATOM 905 C LEU A 55 6.467 11.698 0.136 1.00 0.00 C ATOM 906 O LEU A 55 7.613 11.253 0.178 1.00 0.00 O ATOM 907 CB LEU A 55 4.622 10.931 -1.362 1.00 0.00 C ATOM 908 CG LEU A 55 3.542 9.904 -1.725 1.00 0.00 C ATOM 909 CD1 LEU A 55 3.688 9.476 -3.174 1.00 0.00 C ATOM 910 CD2 LEU A 55 3.603 8.688 -0.812 1.00 0.00 C ATOM 0 H LEU A 55 3.372 11.328 0.731 1.00 0.00 H new ATOM 0 HA LEU A 55 5.596 9.736 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.183 11.927 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.409 10.884 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 55 2.571 10.380 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.915 8.747 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.584 10.346 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.670 9.027 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.824 7.980 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.579 8.211 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.450 9.000 0.221 1.00 0.00 H new ATOM 922 N GLY A 56 6.186 12.996 0.192 1.00 0.00 N ATOM 923 CA GLY A 56 7.239 13.988 0.304 1.00 0.00 C ATOM 924 C GLY A 56 6.690 15.402 0.270 1.00 0.00 C ATOM 925 O GLY A 56 5.961 15.813 1.172 1.00 0.00 O ATOM 0 H GLY A 56 5.242 13.380 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.786 13.833 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.951 13.855 -0.511 1.00 0.00 H new ATOM 929 N ARG A 57 7.035 16.144 -0.777 1.00 0.00 N ATOM 930 CA ARG A 57 6.562 17.516 -0.931 1.00 0.00 C ATOM 931 C ARG A 57 6.451 17.884 -2.404 1.00 0.00 C ATOM 932 O ARG A 57 6.618 19.042 -2.784 1.00 0.00 O ATOM 933 CB ARG A 57 7.495 18.491 -0.211 1.00 0.00 C ATOM 934 CG ARG A 57 8.915 18.488 -0.754 1.00 0.00 C ATOM 935 CD ARG A 57 9.672 19.739 -0.339 1.00 0.00 C ATOM 936 NE ARG A 57 9.593 19.974 1.101 1.00 0.00 N ATOM 937 CZ ARG A 57 10.303 19.299 2.002 1.00 0.00 C ATOM 938 NH1 ARG A 57 11.144 18.347 1.617 1.00 0.00 N ATOM 939 NH2 ARG A 57 10.172 19.577 3.292 1.00 0.00 N ATOM 0 H ARG A 57 7.640 15.819 -1.531 1.00 0.00 H new ATOM 0 HA ARG A 57 5.572 17.586 -0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.086 19.498 -0.291 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.520 18.241 0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.442 17.605 -0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.890 18.421 -1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.717 19.645 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.267 20.601 -0.870 1.00 0.00 H new ATOM 0 HE ARG A 57 8.957 20.698 1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.249 18.129 0.626 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.685 17.833 2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.527 20.308 3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.716 19.060 3.983 1.00 0.00 H new ATOM 953 N ASP A 58 6.165 16.883 -3.226 1.00 0.00 N ATOM 954 CA ASP A 58 6.024 17.077 -4.664 1.00 0.00 C ATOM 955 C ASP A 58 4.629 16.648 -5.128 1.00 0.00 C ATOM 956 O ASP A 58 3.645 16.844 -4.414 1.00 0.00 O ATOM 957 CB ASP A 58 7.113 16.290 -5.404 1.00 0.00 C ATOM 958 CG ASP A 58 8.479 16.443 -4.762 1.00 0.00 C ATOM 959 OD1 ASP A 58 8.723 17.491 -4.127 1.00 0.00 O ATOM 960 OD2 ASP A 58 9.304 15.515 -4.895 1.00 0.00 O ATOM 0 H ASP A 58 6.025 15.921 -2.919 1.00 0.00 H new ATOM 0 HA ASP A 58 6.143 18.136 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.842 15.234 -5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.162 16.629 -6.439 1.00 0.00 H new ATOM 965 N THR A 59 4.546 16.062 -6.320 1.00 0.00 N ATOM 966 CA THR A 59 3.273 15.606 -6.863 1.00 0.00 C ATOM 967 C THR A 59 3.303 14.101 -7.109 1.00 0.00 C ATOM 968 O THR A 59 4.357 13.471 -7.026 1.00 0.00 O ATOM 969 CB THR A 59 2.953 16.341 -8.166 1.00 0.00 C ATOM 970 OG1 THR A 59 1.710 15.911 -8.692 1.00 0.00 O ATOM 971 CG2 THR A 59 4.000 16.140 -9.240 1.00 0.00 C ATOM 0 H THR A 59 5.348 15.892 -6.928 1.00 0.00 H new ATOM 0 HA THR A 59 2.494 15.826 -6.133 1.00 0.00 H new ATOM 0 HB THR A 59 2.926 17.398 -7.902 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.522 16.394 -9.524 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.711 16.688 -10.137 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.962 16.508 -8.884 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.082 15.079 -9.474 1.00 0.00 H new ATOM 979 N GLN A 60 2.144 13.529 -7.415 1.00 0.00 N ATOM 980 CA GLN A 60 2.046 12.102 -7.672 1.00 0.00 C ATOM 981 C GLN A 60 2.437 11.788 -9.107 1.00 0.00 C ATOM 982 O GLN A 60 1.632 11.912 -10.030 1.00 0.00 O ATOM 983 CB GLN A 60 0.629 11.604 -7.400 1.00 0.00 C ATOM 984 CG GLN A 60 -0.441 12.356 -8.176 1.00 0.00 C ATOM 985 CD GLN A 60 -1.562 12.859 -7.287 1.00 0.00 C ATOM 986 OE1 GLN A 60 -2.490 12.118 -6.959 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.483 14.124 -6.893 1.00 0.00 N ATOM 0 H GLN A 60 1.261 14.034 -7.490 1.00 0.00 H new ATOM 0 HA GLN A 60 2.735 11.590 -7.000 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.571 10.545 -7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.421 11.691 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.016 13.201 -8.691 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.856 11.702 -8.942 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.696 14.702 -7.189 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.209 14.518 -6.295 1.00 0.00 H new ATOM 996 N ILE A 61 3.678 11.370 -9.275 1.00 0.00 N ATOM 997 CA ILE A 61 4.207 11.022 -10.589 1.00 0.00 C ATOM 998 C ILE A 61 3.774 9.618 -10.994 1.00 0.00 C ATOM 999 O ILE A 61 4.497 8.646 -10.777 1.00 0.00 O ATOM 1000 CB ILE A 61 5.748 11.112 -10.617 1.00 0.00 C ATOM 1001 CG1 ILE A 61 6.281 10.775 -12.012 1.00 0.00 C ATOM 1002 CG2 ILE A 61 6.357 10.187 -9.572 1.00 0.00 C ATOM 1003 CD1 ILE A 61 5.700 11.642 -13.108 1.00 0.00 C ATOM 0 H ILE A 61 4.347 11.261 -8.513 1.00 0.00 H new ATOM 0 HA ILE A 61 3.802 11.742 -11.300 1.00 0.00 H new ATOM 0 HB ILE A 61 6.037 12.136 -10.378 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.366 10.881 -12.013 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.063 9.730 -12.233 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.444 10.264 -9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.004 10.475 -8.582 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.059 9.159 -9.778 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.123 11.347 -14.068 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.617 11.518 -13.135 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.941 12.687 -12.912 1.00 0.00 H new ATOM 1015 N GLY A 62 2.587 9.518 -11.580 1.00 0.00 N ATOM 1016 CA GLY A 62 2.079 8.226 -11.997 1.00 0.00 C ATOM 1017 C GLY A 62 1.933 7.271 -10.831 1.00 0.00 C ATOM 1018 O GLY A 62 2.058 6.057 -10.992 1.00 0.00 O ATOM 0 H GLY A 62 1.969 10.306 -11.773 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.112 8.356 -12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.752 7.794 -12.738 1.00 0.00 H new ATOM 1022 N LEU A 63 1.675 7.828 -9.650 1.00 0.00 N ATOM 1023 CA LEU A 63 1.512 7.034 -8.437 1.00 0.00 C ATOM 1024 C LEU A 63 0.623 5.818 -8.689 1.00 0.00 C ATOM 1025 O LEU A 63 -0.539 5.953 -9.072 1.00 0.00 O ATOM 1026 CB LEU A 63 0.920 7.901 -7.323 1.00 0.00 C ATOM 1027 CG LEU A 63 0.945 7.281 -5.925 1.00 0.00 C ATOM 1028 CD1 LEU A 63 -0.097 6.179 -5.815 1.00 0.00 C ATOM 1029 CD2 LEU A 63 2.332 6.744 -5.603 1.00 0.00 C ATOM 0 H LEU A 63 1.574 8.833 -9.508 1.00 0.00 H new ATOM 0 HA LEU A 63 2.494 6.674 -8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.464 8.845 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.113 8.136 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 63 0.703 8.056 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.066 5.748 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.087 6.595 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.115 5.403 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.330 6.307 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.605 5.982 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.055 7.558 -5.641 1.00 0.00 H new ATOM 1041 N THR A 64 1.185 4.631 -8.479 1.00 0.00 N ATOM 1042 CA THR A 64 0.451 3.390 -8.689 1.00 0.00 C ATOM 1043 C THR A 64 0.154 2.693 -7.366 1.00 0.00 C ATOM 1044 O THR A 64 0.668 3.080 -6.317 1.00 0.00 O ATOM 1045 CB THR A 64 1.241 2.455 -9.605 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.610 2.437 -9.241 1.00 0.00 O ATOM 1047 CG2 THR A 64 1.158 2.837 -11.066 1.00 0.00 C ATOM 0 H THR A 64 2.147 4.504 -8.164 1.00 0.00 H new ATOM 0 HA THR A 64 -0.498 3.639 -9.163 1.00 0.00 H new ATOM 0 HB THR A 64 0.786 1.473 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.099 1.832 -9.837 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.741 2.133 -11.660 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.118 2.811 -11.390 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.556 3.843 -11.202 1.00 0.00 H new ATOM 1055 N MET A 65 -0.680 1.662 -7.426 1.00 0.00 N ATOM 1056 CA MET A 65 -1.053 0.908 -6.238 1.00 0.00 C ATOM 1057 C MET A 65 -0.697 -0.565 -6.394 1.00 0.00 C ATOM 1058 O MET A 65 -0.619 -1.076 -7.511 1.00 0.00 O ATOM 1059 CB MET A 65 -2.550 1.062 -5.973 1.00 0.00 C ATOM 1060 CG MET A 65 -2.959 2.491 -5.663 1.00 0.00 C ATOM 1061 SD MET A 65 -3.530 3.380 -7.125 1.00 0.00 S ATOM 1062 CE MET A 65 -2.994 5.045 -6.743 1.00 0.00 C ATOM 0 H MET A 65 -1.111 1.329 -8.288 1.00 0.00 H new ATOM 0 HA MET A 65 -0.495 1.304 -5.390 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.104 0.713 -6.844 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.832 0.421 -5.138 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.751 2.484 -4.914 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.112 3.021 -5.227 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.834 5.731 -6.849 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.623 5.082 -5.719 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.198 5.337 -7.428 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.470 -1.274 -5.274 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.546 -0.723 -3.921 1.00 0.00 C ATOM 1074 C PRO A 66 0.772 -0.089 -3.475 1.00 0.00 C ATOM 1075 O PRO A 66 1.846 -0.492 -3.921 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.859 -1.956 -3.057 1.00 0.00 C ATOM 1077 CG PRO A 66 -0.838 -3.132 -3.986 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.121 -2.688 -5.226 1.00 0.00 C ATOM 0 HA PRO A 66 -1.287 0.073 -3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.121 -2.073 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.832 -1.857 -2.575 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.329 -3.979 -3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.851 -3.458 -4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.956 -2.842 -5.155 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.462 -3.225 -6.111 1.00 0.00 H new ATOM 1086 N GLN A 67 0.686 0.891 -2.577 1.00 0.00 N ATOM 1087 CA GLN A 67 1.874 1.561 -2.059 1.00 0.00 C ATOM 1088 C GLN A 67 1.980 1.338 -0.556 1.00 0.00 C ATOM 1089 O GLN A 67 1.139 1.801 0.211 1.00 0.00 O ATOM 1090 CB GLN A 67 1.829 3.057 -2.369 1.00 0.00 C ATOM 1091 CG GLN A 67 2.311 3.402 -3.770 1.00 0.00 C ATOM 1092 CD GLN A 67 3.810 3.235 -3.934 1.00 0.00 C ATOM 1093 OE1 GLN A 67 4.382 2.222 -3.533 1.00 0.00 O ATOM 1094 NE2 GLN A 67 4.454 4.232 -4.529 1.00 0.00 N ATOM 0 H GLN A 67 -0.194 1.237 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 67 2.753 1.138 -2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.807 3.414 -2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.442 3.589 -1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.798 2.767 -4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.037 4.432 -4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.940 5.054 -4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.463 4.176 -4.669 1.00 0.00 H new ATOM 1103 N VAL A 68 2.998 0.599 -0.138 1.00 0.00 N ATOM 1104 CA VAL A 68 3.176 0.299 1.274 1.00 0.00 C ATOM 1105 C VAL A 68 3.892 1.428 2.010 1.00 0.00 C ATOM 1106 O VAL A 68 4.520 2.290 1.396 1.00 0.00 O ATOM 1107 CB VAL A 68 3.951 -1.020 1.479 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.690 -1.583 2.867 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.580 -2.037 0.409 1.00 0.00 C ATOM 0 H VAL A 68 3.708 0.199 -0.752 1.00 0.00 H new ATOM 0 HA VAL A 68 2.176 0.191 1.693 1.00 0.00 H new ATOM 0 HB VAL A 68 5.016 -0.807 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.245 -2.513 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.014 -0.863 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.624 -1.778 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.138 -2.959 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.511 -2.246 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.824 -1.636 -0.575 1.00 0.00 H new ATOM 1119 N PHE A 69 3.789 1.407 3.336 1.00 0.00 N ATOM 1120 CA PHE A 69 4.415 2.420 4.181 1.00 0.00 C ATOM 1121 C PHE A 69 4.953 1.785 5.460 1.00 0.00 C ATOM 1122 O PHE A 69 4.333 0.882 6.023 1.00 0.00 O ATOM 1123 CB PHE A 69 3.401 3.510 4.537 1.00 0.00 C ATOM 1124 CG PHE A 69 3.171 4.499 3.433 1.00 0.00 C ATOM 1125 CD1 PHE A 69 3.980 5.616 3.309 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.150 4.310 2.517 1.00 0.00 C ATOM 1127 CE1 PHE A 69 3.775 6.526 2.291 1.00 0.00 C ATOM 1128 CE2 PHE A 69 1.939 5.219 1.497 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.752 6.329 1.384 1.00 0.00 C ATOM 0 H PHE A 69 3.274 0.694 3.852 1.00 0.00 H new ATOM 0 HA PHE A 69 5.243 2.866 3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.452 3.041 4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.747 4.041 5.423 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.780 5.777 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.511 3.443 2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.415 7.392 2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.139 5.061 0.789 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.589 7.041 0.589 1.00 0.00 H new ATOM 1139 N ALA A 70 6.115 2.250 5.908 1.00 0.00 N ATOM 1140 CA ALA A 70 6.740 1.715 7.114 1.00 0.00 C ATOM 1141 C ALA A 70 5.780 1.739 8.304 1.00 0.00 C ATOM 1142 O ALA A 70 5.147 2.760 8.578 1.00 0.00 O ATOM 1143 CB ALA A 70 8.004 2.493 7.445 1.00 0.00 C ATOM 0 H ALA A 70 6.643 2.996 5.455 1.00 0.00 H new ATOM 0 HA ALA A 70 7.001 0.675 6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.458 2.082 8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.707 2.414 6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.754 3.541 7.610 1.00 0.00 H new ATOM 1149 N PRO A 71 5.677 0.618 9.046 1.00 0.00 N ATOM 1150 CA PRO A 71 4.802 0.526 10.221 1.00 0.00 C ATOM 1151 C PRO A 71 5.072 1.648 11.217 1.00 0.00 C ATOM 1152 O PRO A 71 4.217 1.989 12.034 1.00 0.00 O ATOM 1153 CB PRO A 71 5.145 -0.831 10.833 1.00 0.00 C ATOM 1154 CG PRO A 71 5.789 -1.618 9.742 1.00 0.00 C ATOM 1155 CD PRO A 71 6.425 -0.629 8.807 1.00 0.00 C ATOM 0 HA PRO A 71 3.750 0.621 9.954 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.818 -0.718 11.683 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.249 -1.332 11.200 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.535 -2.301 10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.052 -2.226 9.218 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.487 -0.505 9.019 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.343 -0.951 7.769 1.00 0.00 H new ATOM 1163 N ASP A 72 6.268 2.222 11.135 1.00 0.00 N ATOM 1164 CA ASP A 72 6.661 3.311 12.016 1.00 0.00 C ATOM 1165 C ASP A 72 7.851 4.063 11.429 1.00 0.00 C ATOM 1166 O ASP A 72 8.783 4.427 12.146 1.00 0.00 O ATOM 1167 CB ASP A 72 7.014 2.773 13.404 1.00 0.00 C ATOM 1168 CG ASP A 72 8.142 1.760 13.362 1.00 0.00 C ATOM 1169 OD1 ASP A 72 7.884 0.601 12.974 1.00 0.00 O ATOM 1170 OD2 ASP A 72 9.282 2.126 13.717 1.00 0.00 O ATOM 0 H ASP A 72 6.984 1.948 10.463 1.00 0.00 H new ATOM 0 HA ASP A 72 5.821 3.999 12.110 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.299 3.603 14.051 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.131 2.312 13.847 1.00 0.00 H new ATOM 1175 N GLY A 73 7.817 4.281 10.116 1.00 0.00 N ATOM 1176 CA GLY A 73 8.904 4.985 9.456 1.00 0.00 C ATOM 1177 C GLY A 73 8.440 5.822 8.280 1.00 0.00 C ATOM 1178 O GLY A 73 7.768 6.837 8.457 1.00 0.00 O ATOM 0 H GLY A 73 7.060 3.984 9.500 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.404 5.630 10.179 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.642 4.261 9.111 1.00 0.00 H new ATOM 1182 N SER A 74 8.810 5.397 7.075 1.00 0.00 N ATOM 1183 CA SER A 74 8.437 6.115 5.858 1.00 0.00 C ATOM 1184 C SER A 74 8.010 5.153 4.758 1.00 0.00 C ATOM 1185 O SER A 74 8.026 3.935 4.936 1.00 0.00 O ATOM 1186 CB SER A 74 9.607 6.973 5.372 1.00 0.00 C ATOM 1187 OG SER A 74 9.802 8.095 6.216 1.00 0.00 O ATOM 0 H SER A 74 9.368 4.559 6.914 1.00 0.00 H new ATOM 0 HA SER A 74 7.590 6.759 6.095 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.516 6.372 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.417 7.309 4.353 1.00 0.00 H new ATOM 0 HG SER A 74 10.556 8.626 5.885 1.00 0.00 H new ATOM 1193 N HIS A 75 7.625 5.717 3.621 1.00 0.00 N ATOM 1194 CA HIS A 75 7.185 4.931 2.475 1.00 0.00 C ATOM 1195 C HIS A 75 8.249 3.918 2.062 1.00 0.00 C ATOM 1196 O HIS A 75 9.425 4.257 1.932 1.00 0.00 O ATOM 1197 CB HIS A 75 6.870 5.866 1.310 1.00 0.00 C ATOM 1198 CG HIS A 75 6.331 5.168 0.101 1.00 0.00 C ATOM 1199 ND1 HIS A 75 6.996 5.091 -1.102 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.157 4.510 -0.077 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.223 4.405 -1.956 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.096 4.030 -1.382 1.00 0.00 N ATOM 0 H HIS A 75 7.609 6.725 3.467 1.00 0.00 H new ATOM 0 HA HIS A 75 6.288 4.379 2.755 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.146 6.611 1.640 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.777 6.404 1.033 1.00 0.00 H new ATOM 0 HD1 HIS A 75 7.914 5.486 -1.307 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.392 4.380 0.674 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.488 4.188 -2.980 1.00 0.00 H new ATOM 1210 N ILE A 76 7.827 2.674 1.854 1.00 0.00 N ATOM 1211 CA ILE A 76 8.744 1.612 1.453 1.00 0.00 C ATOM 1212 C ILE A 76 8.645 1.344 -0.044 1.00 0.00 C ATOM 1213 O ILE A 76 9.657 1.163 -0.721 1.00 0.00 O ATOM 1214 CB ILE A 76 8.463 0.303 2.223 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.589 0.537 3.727 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.410 -0.802 1.774 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.597 -0.262 4.541 1.00 0.00 C ATOM 0 H ILE A 76 6.857 2.377 1.956 1.00 0.00 H new ATOM 0 HA ILE A 76 9.751 1.952 1.693 1.00 0.00 H new ATOM 0 HB ILE A 76 7.443 -0.014 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.600 0.280 4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.449 1.598 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.194 -1.714 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.275 -0.986 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.440 -0.498 1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.741 -0.049 5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.583 0.012 4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.751 -1.326 4.360 1.00 0.00 H new ATOM 1229 N GLY A 77 7.419 1.316 -0.554 1.00 0.00 N ATOM 1230 CA GLY A 77 7.219 1.071 -1.968 1.00 0.00 C ATOM 1231 C GLY A 77 6.095 0.095 -2.247 1.00 0.00 C ATOM 1232 O GLY A 77 5.171 -0.050 -1.447 1.00 0.00 O ATOM 0 H GLY A 77 6.564 1.458 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.005 2.016 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.143 0.685 -2.398 1.00 0.00 H new ATOM 1236 N GLY A 78 6.172 -0.565 -3.396 1.00 0.00 N ATOM 1237 CA GLY A 78 5.150 -1.522 -3.780 1.00 0.00 C ATOM 1238 C GLY A 78 5.477 -2.938 -3.347 1.00 0.00 C ATOM 1239 O GLY A 78 6.002 -3.156 -2.254 1.00 0.00 O ATOM 0 H GLY A 78 6.928 -0.454 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.197 -1.224 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.025 -1.498 -4.863 1.00 0.00 H new ATOM 1243 N PHE A 79 5.159 -3.906 -4.204 1.00 0.00 N ATOM 1244 CA PHE A 79 5.416 -5.310 -3.900 1.00 0.00 C ATOM 1245 C PHE A 79 6.905 -5.630 -3.974 1.00 0.00 C ATOM 1246 O PHE A 79 7.549 -5.869 -2.953 1.00 0.00 O ATOM 1247 CB PHE A 79 4.647 -6.216 -4.862 1.00 0.00 C ATOM 1248 CG PHE A 79 4.791 -7.676 -4.542 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.549 -8.143 -3.260 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.175 -8.581 -5.520 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.686 -9.484 -2.958 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.316 -9.924 -5.223 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.071 -10.376 -3.941 1.00 0.00 C ATOM 0 H PHE A 79 4.724 -3.743 -5.112 1.00 0.00 H new ATOM 0 HA PHE A 79 5.074 -5.494 -2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.591 -5.948 -4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.998 -6.037 -5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.250 -7.450 -2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.366 -8.233 -6.524 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.493 -9.835 -1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.617 -10.619 -5.993 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.180 -11.425 -3.707 1.00 0.00 H new ATOM 1263 N ASP A 80 7.448 -5.634 -5.189 1.00 0.00 N ATOM 1264 CA ASP A 80 8.862 -5.928 -5.392 1.00 0.00 C ATOM 1265 C ASP A 80 9.731 -4.969 -4.589 1.00 0.00 C ATOM 1266 O ASP A 80 10.636 -5.388 -3.864 1.00 0.00 O ATOM 1267 CB ASP A 80 9.218 -5.836 -6.877 1.00 0.00 C ATOM 1268 CG ASP A 80 10.499 -6.575 -7.211 1.00 0.00 C ATOM 1269 OD1 ASP A 80 11.577 -6.124 -6.771 1.00 0.00 O ATOM 1270 OD2 ASP A 80 10.424 -7.606 -7.913 1.00 0.00 O ATOM 0 H ASP A 80 6.930 -5.437 -6.046 1.00 0.00 H new ATOM 0 HA ASP A 80 9.051 -6.944 -5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.400 -6.246 -7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.322 -4.788 -7.159 1.00 0.00 H new ATOM 1275 N GLN A 81 9.445 -3.677 -4.717 1.00 0.00 N ATOM 1276 CA GLN A 81 10.195 -2.655 -3.999 1.00 0.00 C ATOM 1277 C GLN A 81 10.225 -2.964 -2.507 1.00 0.00 C ATOM 1278 O GLN A 81 11.238 -2.754 -1.840 1.00 0.00 O ATOM 1279 CB GLN A 81 9.577 -1.276 -4.239 1.00 0.00 C ATOM 1280 CG GLN A 81 10.200 -0.528 -5.407 1.00 0.00 C ATOM 1281 CD GLN A 81 10.134 0.977 -5.237 1.00 0.00 C ATOM 1282 OE1 GLN A 81 9.209 1.629 -5.722 1.00 0.00 O ATOM 1283 NE2 GLN A 81 11.120 1.538 -4.547 1.00 0.00 N ATOM 0 H GLN A 81 8.700 -3.314 -5.311 1.00 0.00 H new ATOM 0 HA GLN A 81 11.218 -2.652 -4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.508 -1.392 -4.420 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.684 -0.676 -3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.241 -0.832 -5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.689 -0.809 -6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.867 0.959 -4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.131 2.547 -4.401 1.00 0.00 H new ATOM 1292 N LEU A 82 9.112 -3.478 -1.991 1.00 0.00 N ATOM 1293 CA LEU A 82 9.022 -3.826 -0.581 1.00 0.00 C ATOM 1294 C LEU A 82 9.727 -5.143 -0.293 1.00 0.00 C ATOM 1295 O LEU A 82 10.322 -5.312 0.768 1.00 0.00 O ATOM 1296 CB LEU A 82 7.577 -3.911 -0.123 1.00 0.00 C ATOM 1297 CG LEU A 82 7.433 -4.360 1.324 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.361 -3.566 2.035 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.152 -5.846 1.376 1.00 0.00 C ATOM 0 H LEU A 82 8.264 -3.661 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 82 9.519 -3.031 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.107 -2.935 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.038 -4.606 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 82 8.371 -4.171 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.279 -3.908 3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.623 -2.508 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.406 -3.709 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.050 -6.161 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.228 -6.061 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.975 -6.388 0.912 1.00 0.00 H new ATOM 1311 N ARG A 83 9.676 -6.073 -1.239 1.00 0.00 N ATOM 1312 CA ARG A 83 10.340 -7.358 -1.056 1.00 0.00 C ATOM 1313 C ARG A 83 11.791 -7.122 -0.658 1.00 0.00 C ATOM 1314 O ARG A 83 12.374 -7.895 0.101 1.00 0.00 O ATOM 1315 CB ARG A 83 10.267 -8.194 -2.336 1.00 0.00 C ATOM 1316 CG ARG A 83 10.262 -9.694 -2.084 1.00 0.00 C ATOM 1317 CD ARG A 83 10.110 -10.476 -3.379 1.00 0.00 C ATOM 1318 NE ARG A 83 10.251 -11.915 -3.169 1.00 0.00 N ATOM 1319 CZ ARG A 83 9.299 -12.685 -2.649 1.00 0.00 C ATOM 1320 NH1 ARG A 83 8.134 -12.160 -2.288 1.00 0.00 N ATOM 1321 NH2 ARG A 83 9.510 -13.984 -2.490 1.00 0.00 N ATOM 0 H ARG A 83 9.189 -5.965 -2.129 1.00 0.00 H new ATOM 0 HA ARG A 83 9.833 -7.911 -0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.366 -7.923 -2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.116 -7.944 -2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.189 -9.984 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.446 -9.948 -1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.133 -10.267 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.859 -10.139 -4.096 1.00 0.00 H new ATOM 0 HE ARG A 83 11.131 -12.355 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.965 -11.161 -2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.408 -12.755 -1.890 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.402 -14.393 -2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.780 -14.574 -2.091 1.00 0.00 H new ATOM 1335 N GLU A 84 12.353 -6.021 -1.152 1.00 0.00 N ATOM 1336 CA GLU A 84 13.720 -5.652 -0.821 1.00 0.00 C ATOM 1337 C GLU A 84 13.791 -5.248 0.647 1.00 0.00 C ATOM 1338 O GLU A 84 14.794 -5.480 1.322 1.00 0.00 O ATOM 1339 CB GLU A 84 14.200 -4.503 -1.710 1.00 0.00 C ATOM 1340 CG GLU A 84 15.698 -4.521 -1.967 1.00 0.00 C ATOM 1341 CD GLU A 84 16.160 -3.343 -2.802 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.948 -3.368 -4.033 1.00 0.00 O ATOM 1343 OE2 GLU A 84 16.733 -2.395 -2.226 1.00 0.00 O ATOM 0 H GLU A 84 11.881 -5.372 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 84 14.371 -6.508 -0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.675 -4.549 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.931 -3.556 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.227 -4.516 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.965 -5.448 -2.474 1.00 0.00 H new ATOM 1350 N TYR A 85 12.698 -4.662 1.140 1.00 0.00 N ATOM 1351 CA TYR A 85 12.608 -4.248 2.530 1.00 0.00 C ATOM 1352 C TYR A 85 12.570 -5.481 3.430 1.00 0.00 C ATOM 1353 O TYR A 85 13.041 -5.454 4.567 1.00 0.00 O ATOM 1354 CB TYR A 85 11.350 -3.400 2.729 1.00 0.00 C ATOM 1355 CG TYR A 85 11.211 -2.813 4.111 1.00 0.00 C ATOM 1356 CD1 TYR A 85 10.786 -3.594 5.175 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.492 -1.474 4.349 1.00 0.00 C ATOM 1358 CE1 TYR A 85 10.646 -3.060 6.440 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.356 -0.931 5.612 1.00 0.00 C ATOM 1360 CZ TYR A 85 10.932 -1.728 6.654 1.00 0.00 C ATOM 1361 OH TYR A 85 10.794 -1.192 7.914 1.00 0.00 O ATOM 0 H TYR A 85 11.862 -4.465 0.589 1.00 0.00 H new ATOM 0 HA TYR A 85 13.480 -3.650 2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.354 -2.589 2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.475 -4.014 2.518 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.561 -4.637 5.011 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.822 -0.847 3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.314 -3.682 7.258 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.580 0.112 5.782 1.00 0.00 H new ATOM 0 HH TYR A 85 11.036 -0.243 7.894 1.00 0.00 H new ATOM 1371 N PHE A 86 12.015 -6.565 2.891 1.00 0.00 N ATOM 1372 CA PHE A 86 11.909 -7.831 3.607 1.00 0.00 C ATOM 1373 C PHE A 86 13.108 -8.733 3.325 1.00 0.00 C ATOM 1374 O PHE A 86 13.452 -9.592 4.136 1.00 0.00 O ATOM 1375 CB PHE A 86 10.612 -8.541 3.216 1.00 0.00 C ATOM 1376 CG PHE A 86 9.422 -8.069 3.998 1.00 0.00 C ATOM 1377 CD1 PHE A 86 8.841 -6.840 3.738 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.900 -8.853 5.012 1.00 0.00 C ATOM 1379 CE1 PHE A 86 7.756 -6.405 4.479 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.817 -8.427 5.750 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.244 -7.203 5.486 1.00 0.00 C ATOM 0 H PHE A 86 11.628 -6.589 1.948 1.00 0.00 H new ATOM 0 HA PHE A 86 11.897 -7.617 4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.426 -8.385 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.734 -9.614 3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.237 -6.216 2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.348 -9.812 5.228 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.310 -5.444 4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.418 -9.053 6.535 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.396 -6.867 6.064 1.00 0.00 H new ATOM 1391 N LYS A 87 13.740 -8.535 2.173 1.00 0.00 N ATOM 1392 CA LYS A 87 14.898 -9.334 1.790 1.00 0.00 C ATOM 1393 C LYS A 87 14.516 -10.803 1.638 1.00 0.00 C ATOM 1394 O LYS A 87 14.411 -11.497 2.671 1.00 0.00 O ATOM 1395 CB LYS A 87 16.013 -9.189 2.828 1.00 0.00 C ATOM 1396 CG LYS A 87 17.013 -8.093 2.497 1.00 0.00 C ATOM 1397 CD LYS A 87 18.405 -8.440 2.997 1.00 0.00 C ATOM 1398 CE LYS A 87 19.442 -7.453 2.487 1.00 0.00 C ATOM 1399 NZ LYS A 87 20.706 -7.520 3.271 1.00 0.00 N ATOM 1400 OXT LYS A 87 14.325 -11.248 0.487 1.00 0.00 O ATOM 0 H LYS A 87 13.470 -7.828 1.489 1.00 0.00 H new ATOM 0 HA LYS A 87 15.259 -8.968 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.568 -8.981 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.542 -10.138 2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.041 -7.938 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.688 -7.154 2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.411 -8.445 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.669 -9.447 2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 87 19.654 -7.659 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 87 19.037 -6.442 2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 21.387 -6.832 2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 20.508 -7.298 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 21.107 -8.477 3.202 1.00 0.00 H new TER 1414 LYS A 87