USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=20 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 7 TYR OH : rot 2:sc= -0.136 USER MOD Set 1.2: A 37 MET CE :methyl 147:sc= -2.18 (180deg=-3.11!) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 14 CYS SG : rot 47:sc= -3.43 USER MOD Single : A 1 MET CE :methyl 161:sc=-0.00444 (180deg=-0.458) USER MOD Single : A 1 MET N :NH3+ -163:sc= -4.1! (180deg=-5.33!) USER MOD Single : A 3 LYS NZ :NH3+ -119:sc= 0.0146 (180deg=-0.0477) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0856 X(o=-0.086,f=0) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.272 F(o=-1.6,f=0.27) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 141:sc= 1.34 USER MOD Single : A 19 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.98) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -4.54 X(o=-4.5,f=-4.6!) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.121 F(o=-0.97,f=-0.12) 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+ 164:sc=-0.00949 (180deg=-0.152) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.201 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 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -4.36 K(o=-4.4,f=-6.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= -4.64 K(o=-4.6,f=-6!) USER MOD Single : A 81 GLN : amide:sc= -0.0369 X(o=-0.037,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 3.920 -3.187 11.598 1.00 0.00 N ATOM 2 CA MET A 1 2.688 -3.119 10.767 1.00 0.00 C ATOM 3 C MET A 1 2.848 -2.210 9.563 1.00 0.00 C ATOM 4 O MET A 1 2.879 -0.989 9.688 1.00 0.00 O ATOM 5 CB MET A 1 1.546 -2.621 11.641 1.00 0.00 C ATOM 6 CG MET A 1 0.163 -2.938 11.102 1.00 0.00 C ATOM 7 SD MET A 1 -1.137 -2.590 12.301 1.00 0.00 S ATOM 8 CE MET A 1 -1.972 -4.173 12.365 1.00 0.00 C ATOM 0 H1 MET A 1 3.871 -4.016 12.225 1.00 0.00 H new ATOM 0 H2 MET A 1 4.752 -3.270 10.979 1.00 0.00 H new ATOM 0 H3 MET A 1 4.000 -2.323 12.172 1.00 0.00 H new ATOM 0 HA MET A 1 2.480 -4.117 10.382 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.646 -3.060 12.634 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.638 -1.541 11.759 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.014 -2.355 10.198 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.119 -3.989 10.817 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.565 -4.235 13.277 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.626 -4.275 11.499 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.233 -4.975 12.358 1.00 0.00 H new ATOM 20 N PHE A 2 2.925 -2.820 8.390 1.00 0.00 N ATOM 21 CA PHE A 2 3.066 -2.071 7.154 1.00 0.00 C ATOM 22 C PHE A 2 1.748 -1.422 6.765 1.00 0.00 C ATOM 23 O PHE A 2 0.676 -1.967 7.021 1.00 0.00 O ATOM 24 CB PHE A 2 3.561 -2.990 6.040 1.00 0.00 C ATOM 25 CG PHE A 2 4.968 -3.456 6.262 1.00 0.00 C ATOM 26 CD1 PHE A 2 6.036 -2.685 5.839 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.222 -4.653 6.906 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.335 -3.099 6.053 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.518 -5.076 7.127 1.00 0.00 C ATOM 30 CZ PHE A 2 7.577 -4.298 6.700 1.00 0.00 C ATOM 0 H PHE A 2 2.892 -3.832 8.270 1.00 0.00 H new ATOM 0 HA PHE A 2 3.799 -1.280 7.308 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.902 -3.855 5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.502 -2.464 5.087 1.00 0.00 H new ATOM 0 HD1 PHE A 2 5.851 -1.748 5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.397 -5.265 7.240 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.160 -2.489 5.716 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.703 -6.012 7.632 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.592 -4.625 6.871 1.00 0.00 H new ATOM 40 N LYS A 3 1.834 -0.252 6.154 1.00 0.00 N ATOM 41 CA LYS A 3 0.649 0.474 5.736 1.00 0.00 C ATOM 42 C LYS A 3 0.516 0.439 4.225 1.00 0.00 C ATOM 43 O LYS A 3 1.385 0.931 3.509 1.00 0.00 O ATOM 44 CB LYS A 3 0.729 1.923 6.220 1.00 0.00 C ATOM 45 CG LYS A 3 0.322 2.106 7.673 1.00 0.00 C ATOM 46 CD LYS A 3 1.537 2.237 8.581 1.00 0.00 C ATOM 47 CE LYS A 3 1.623 3.621 9.204 1.00 0.00 C ATOM 48 NZ LYS A 3 2.458 3.626 10.437 1.00 0.00 N ATOM 0 H LYS A 3 2.714 0.215 5.937 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.228 -0.002 6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.749 2.284 6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.089 2.542 5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.302 2.995 7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.282 1.257 7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.486 1.485 9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.443 2.038 8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.042 4.319 8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.620 3.974 9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.878 3.924 11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.829 2.670 10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.251 4.288 10.317 1.00 0.00 H new ATOM 62 N VAL A 4 -0.565 -0.151 3.729 1.00 0.00 N ATOM 63 CA VAL A 4 -0.766 -0.227 2.286 1.00 0.00 C ATOM 64 C VAL A 4 -1.950 0.606 1.827 1.00 0.00 C ATOM 65 O VAL A 4 -3.063 0.474 2.336 1.00 0.00 O ATOM 66 CB VAL A 4 -0.966 -1.671 1.783 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.279 -1.690 0.292 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.265 -2.499 2.044 1.00 0.00 C ATOM 0 H VAL A 4 -1.303 -0.576 4.291 1.00 0.00 H new ATOM 0 HA VAL A 4 0.153 0.173 1.857 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.809 -2.096 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.416 -2.720 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.192 -1.125 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.454 -1.239 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.104 -3.514 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.116 -2.059 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.467 -2.523 3.115 1.00 0.00 H new ATOM 78 N TYR A 5 -1.697 1.425 0.817 1.00 0.00 N ATOM 79 CA TYR A 5 -2.724 2.254 0.225 1.00 0.00 C ATOM 80 C TYR A 5 -3.132 1.652 -1.111 1.00 0.00 C ATOM 81 O TYR A 5 -2.422 1.799 -2.104 1.00 0.00 O ATOM 82 CB TYR A 5 -2.216 3.682 0.016 1.00 0.00 C ATOM 83 CG TYR A 5 -1.913 4.421 1.299 1.00 0.00 C ATOM 84 CD1 TYR A 5 -2.766 4.333 2.389 1.00 0.00 C ATOM 85 CD2 TYR A 5 -0.779 5.213 1.416 1.00 0.00 C ATOM 86 CE1 TYR A 5 -2.499 5.014 3.560 1.00 0.00 C ATOM 87 CE2 TYR A 5 -0.505 5.895 2.585 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.367 5.793 3.651 1.00 0.00 C ATOM 89 OH TYR A 5 -1.097 6.473 4.817 1.00 0.00 O ATOM 0 H TYR A 5 -0.777 1.530 0.390 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.582 2.293 0.896 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.314 3.650 -0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.962 4.243 -0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.654 3.722 2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.101 5.297 0.580 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.174 4.936 4.400 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.382 6.506 2.661 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.261 6.975 4.717 1.00 0.00 H new ATOM 99 N GLY A 6 -4.260 0.955 -1.133 1.00 0.00 N ATOM 100 CA GLY A 6 -4.708 0.333 -2.359 1.00 0.00 C ATOM 101 C GLY A 6 -6.182 -0.005 -2.332 1.00 0.00 C ATOM 102 O GLY A 6 -6.993 0.754 -1.802 1.00 0.00 O ATOM 0 H GLY A 6 -4.869 0.811 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.507 1.001 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.133 -0.577 -2.532 1.00 0.00 H new ATOM 106 N TYR A 7 -6.526 -1.144 -2.916 1.00 0.00 N ATOM 107 CA TYR A 7 -7.901 -1.590 -2.980 1.00 0.00 C ATOM 108 C TYR A 7 -8.087 -2.925 -2.268 1.00 0.00 C ATOM 109 O TYR A 7 -7.145 -3.706 -2.135 1.00 0.00 O ATOM 110 CB TYR A 7 -8.312 -1.710 -4.437 1.00 0.00 C ATOM 111 CG TYR A 7 -8.106 -0.431 -5.211 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.859 0.699 -4.928 1.00 0.00 C ATOM 113 CD2 TYR A 7 -7.152 -0.351 -6.215 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.669 1.872 -5.626 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.956 0.820 -6.918 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.715 1.928 -6.621 1.00 0.00 C ATOM 117 OH TYR A 7 -7.523 3.093 -7.325 1.00 0.00 O ATOM 0 H TYR A 7 -5.860 -1.779 -3.355 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.531 -0.859 -2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.739 -2.510 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.362 -1.997 -4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.606 0.659 -4.149 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.553 -1.219 -6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.264 2.743 -5.395 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.210 0.866 -7.698 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.118 3.788 -6.975 1.00 0.00 H new ATOM 127 N ASP A 8 -9.309 -3.180 -1.809 1.00 0.00 N ATOM 128 CA ASP A 8 -9.619 -4.419 -1.099 1.00 0.00 C ATOM 129 C ASP A 8 -10.069 -5.525 -2.056 1.00 0.00 C ATOM 130 O ASP A 8 -10.566 -6.563 -1.620 1.00 0.00 O ATOM 131 CB ASP A 8 -10.705 -4.163 -0.051 1.00 0.00 C ATOM 132 CG ASP A 8 -12.009 -3.701 -0.669 1.00 0.00 C ATOM 133 OD1 ASP A 8 -11.959 -2.956 -1.670 1.00 0.00 O ATOM 134 OD2 ASP A 8 -13.079 -4.083 -0.151 1.00 0.00 O ATOM 0 H ASP A 8 -10.101 -2.546 -1.915 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.707 -4.756 -0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.879 -5.076 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.354 -3.410 0.655 1.00 0.00 H new ATOM 139 N SER A 9 -9.889 -5.301 -3.360 1.00 0.00 N ATOM 140 CA SER A 9 -10.275 -6.282 -4.379 1.00 0.00 C ATOM 141 C SER A 9 -11.776 -6.230 -4.668 1.00 0.00 C ATOM 142 O SER A 9 -12.267 -6.917 -5.566 1.00 0.00 O ATOM 143 CB SER A 9 -9.878 -7.699 -3.945 1.00 0.00 C ATOM 144 OG SER A 9 -9.504 -8.488 -5.060 1.00 0.00 O ATOM 0 H SER A 9 -9.477 -4.447 -3.736 1.00 0.00 H new ATOM 0 HA SER A 9 -9.742 -6.026 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.050 -7.647 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.712 -8.171 -3.425 1.00 0.00 H new ATOM 0 HG SER A 9 -9.254 -9.386 -4.756 1.00 0.00 H new ATOM 150 N ASN A 10 -12.505 -5.425 -3.902 1.00 0.00 N ATOM 151 CA ASN A 10 -13.945 -5.305 -4.074 1.00 0.00 C ATOM 152 C ASN A 10 -14.320 -4.263 -5.125 1.00 0.00 C ATOM 153 O ASN A 10 -15.160 -4.517 -5.988 1.00 0.00 O ATOM 154 CB ASN A 10 -14.595 -4.940 -2.740 1.00 0.00 C ATOM 155 CG ASN A 10 -16.052 -5.355 -2.678 1.00 0.00 C ATOM 156 OD1 ASN A 10 -16.934 -4.521 -2.480 1.00 0.00 O ATOM 157 ND2 ASN A 10 -16.314 -6.647 -2.856 1.00 0.00 N ATOM 0 H ASN A 10 -12.120 -4.846 -3.156 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.312 -6.271 -4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.048 -5.420 -1.928 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.519 -3.864 -2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.278 -6.980 -2.831 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.551 -7.305 -3.017 1.00 0.00 H new ATOM 164 N ILE A 11 -13.728 -3.079 -5.024 1.00 0.00 N ATOM 165 CA ILE A 11 -14.045 -1.987 -5.943 1.00 0.00 C ATOM 166 C ILE A 11 -13.101 -1.908 -7.136 1.00 0.00 C ATOM 167 O ILE A 11 -13.401 -1.224 -8.114 1.00 0.00 O ATOM 168 CB ILE A 11 -14.000 -0.630 -5.216 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.985 -0.614 -4.053 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.290 0.513 -6.182 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.429 -0.632 -4.489 1.00 0.00 C ATOM 0 H ILE A 11 -13.028 -2.849 -4.319 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.048 -2.203 -6.311 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.995 -0.490 -4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.795 -1.477 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.807 0.275 -3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.253 1.461 -5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.544 0.516 -6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.281 0.380 -6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -17.074 -0.619 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.635 0.245 -5.103 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.623 -1.535 -5.069 1.00 0.00 H new ATOM 183 N HIS A 12 -11.955 -2.564 -7.054 1.00 0.00 N ATOM 184 CA HIS A 12 -10.997 -2.496 -8.142 1.00 0.00 C ATOM 185 C HIS A 12 -10.101 -3.735 -8.104 1.00 0.00 C ATOM 186 O HIS A 12 -9.759 -4.224 -7.031 1.00 0.00 O ATOM 187 CB HIS A 12 -10.189 -1.205 -7.973 1.00 0.00 C ATOM 188 CG HIS A 12 -9.658 -0.597 -9.239 1.00 0.00 C ATOM 189 ND1 HIS A 12 -8.404 -0.197 -9.568 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -10.452 -0.273 -10.318 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.422 0.359 -10.842 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -9.674 0.287 -11.247 1.00 0.00 N flip ATOM 0 H HIS A 12 -11.670 -3.139 -6.261 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.494 -2.480 -9.112 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.818 -0.468 -7.474 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.349 -1.409 -7.310 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -7.579 -0.290 -8.975 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.516 -0.442 -10.398 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.583 0.766 -11.387 1.00 0.00 H new ATOM 200 N LYS A 13 -9.741 -4.251 -9.271 1.00 0.00 N ATOM 201 CA LYS A 13 -8.900 -5.460 -9.347 1.00 0.00 C ATOM 202 C LYS A 13 -7.495 -5.206 -8.811 1.00 0.00 C ATOM 203 O LYS A 13 -6.737 -4.413 -9.370 1.00 0.00 O ATOM 204 CB LYS A 13 -8.824 -6.009 -10.782 1.00 0.00 C ATOM 205 CG LYS A 13 -8.176 -7.389 -10.874 1.00 0.00 C ATOM 206 CD LYS A 13 -8.718 -8.197 -12.046 1.00 0.00 C ATOM 207 CE LYS A 13 -8.060 -9.567 -12.136 1.00 0.00 C ATOM 208 NZ LYS A 13 -6.834 -9.534 -12.977 1.00 0.00 N ATOM 0 H LYS A 13 -10.010 -3.863 -10.175 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.377 -6.210 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.831 -6.061 -11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.261 -5.310 -11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.097 -7.277 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.351 -7.934 -9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.796 -8.317 -11.938 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.550 -7.650 -12.974 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.805 -9.915 -11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.768 -10.284 -12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.413 -10.484 -13.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.081 -9.226 -13.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.149 -8.868 -12.566 1.00 0.00 H new ATOM 222 N CYS A 14 -7.160 -5.896 -7.718 1.00 0.00 N ATOM 223 CA CYS A 14 -5.846 -5.764 -7.093 1.00 0.00 C ATOM 224 C CYS A 14 -5.229 -7.136 -6.848 1.00 0.00 C ATOM 225 O CYS A 14 -5.409 -7.728 -5.785 1.00 0.00 O ATOM 226 CB CYS A 14 -5.940 -5.002 -5.768 1.00 0.00 C ATOM 227 SG CYS A 14 -7.195 -5.630 -4.626 1.00 0.00 S ATOM 0 H CYS A 14 -7.784 -6.553 -7.248 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.211 -5.201 -7.777 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.969 -5.036 -5.274 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.153 -3.954 -5.981 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.094 -6.923 -4.539 1.00 0.00 H new ATOM 233 N VAL A 15 -4.495 -7.633 -7.836 1.00 0.00 N ATOM 234 CA VAL A 15 -3.848 -8.934 -7.730 1.00 0.00 C ATOM 235 C VAL A 15 -2.537 -8.844 -6.950 1.00 0.00 C ATOM 236 O VAL A 15 -2.147 -9.791 -6.267 1.00 0.00 O ATOM 237 CB VAL A 15 -3.566 -9.527 -9.122 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.863 -9.861 -9.839 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.732 -8.563 -9.949 1.00 0.00 C ATOM 0 H VAL A 15 -4.333 -7.153 -8.721 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.536 -9.587 -7.192 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.002 -10.451 -8.993 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.639 -10.279 -10.821 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.425 -10.589 -9.254 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.457 -8.955 -9.957 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.541 -8.997 -10.931 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.272 -7.623 -10.066 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.784 -8.376 -9.444 1.00 0.00 H new ATOM 249 N TYR A 16 -1.857 -7.705 -7.062 1.00 0.00 N ATOM 250 CA TYR A 16 -0.587 -7.499 -6.372 1.00 0.00 C ATOM 251 C TYR A 16 -0.779 -7.477 -4.860 1.00 0.00 C ATOM 252 O TYR A 16 0.141 -7.795 -4.104 1.00 0.00 O ATOM 253 CB TYR A 16 0.062 -6.193 -6.834 1.00 0.00 C ATOM 254 CG TYR A 16 1.040 -6.382 -7.971 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.332 -6.826 -7.730 1.00 0.00 C ATOM 256 CD2 TYR A 16 0.669 -6.125 -9.285 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.230 -7.008 -8.762 1.00 0.00 C ATOM 258 CE2 TYR A 16 1.562 -6.306 -10.327 1.00 0.00 C ATOM 259 CZ TYR A 16 2.839 -6.747 -10.059 1.00 0.00 C ATOM 260 OH TYR A 16 3.730 -6.931 -11.092 1.00 0.00 O ATOM 0 H TYR A 16 -2.165 -6.911 -7.624 1.00 0.00 H new ATOM 0 HA TYR A 16 0.069 -8.333 -6.621 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.718 -5.498 -7.146 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.579 -5.734 -5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.641 -7.033 -6.716 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.332 -5.779 -9.497 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.233 -7.353 -8.556 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.259 -6.103 -11.344 1.00 0.00 H new ATOM 0 HH TYR A 16 3.297 -6.704 -11.941 1.00 0.00 H new ATOM 270 N CYS A 17 -1.973 -7.096 -4.420 1.00 0.00 N ATOM 271 CA CYS A 17 -2.271 -7.038 -2.996 1.00 0.00 C ATOM 272 C CYS A 17 -2.195 -8.430 -2.380 1.00 0.00 C ATOM 273 O CYS A 17 -1.506 -8.642 -1.382 1.00 0.00 O ATOM 274 CB CYS A 17 -3.658 -6.438 -2.758 1.00 0.00 C ATOM 275 SG CYS A 17 -4.058 -6.180 -1.014 1.00 0.00 S ATOM 0 H CYS A 17 -2.746 -6.824 -5.027 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.528 -6.399 -2.519 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.724 -5.484 -3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.407 -7.095 -3.199 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.708 -5.062 -0.879 1.00 0.00 H new ATOM 281 N ASP A 18 -2.902 -9.376 -2.986 1.00 0.00 N ATOM 282 CA ASP A 18 -2.917 -10.754 -2.501 1.00 0.00 C ATOM 283 C ASP A 18 -1.506 -11.333 -2.440 1.00 0.00 C ATOM 284 O ASP A 18 -1.216 -12.200 -1.615 1.00 0.00 O ATOM 285 CB ASP A 18 -3.795 -11.623 -3.402 1.00 0.00 C ATOM 286 CG ASP A 18 -5.227 -11.701 -2.910 1.00 0.00 C ATOM 287 OD1 ASP A 18 -5.965 -10.707 -3.074 1.00 0.00 O ATOM 288 OD2 ASP A 18 -5.608 -12.754 -2.358 1.00 0.00 O ATOM 0 H ASP A 18 -3.474 -9.216 -3.815 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.330 -10.749 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.783 -11.220 -4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.376 -12.628 -3.454 1.00 0.00 H new ATOM 293 N ASN A 19 -0.632 -10.854 -3.322 1.00 0.00 N ATOM 294 CA ASN A 19 0.746 -11.331 -3.368 1.00 0.00 C ATOM 295 C ASN A 19 1.529 -10.849 -2.151 1.00 0.00 C ATOM 296 O ASN A 19 2.074 -11.652 -1.394 1.00 0.00 O ATOM 297 CB ASN A 19 1.429 -10.860 -4.654 1.00 0.00 C ATOM 298 CG ASN A 19 0.681 -11.300 -5.899 1.00 0.00 C ATOM 299 OD1 ASN A 19 -0.040 -12.298 -5.884 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.848 -10.554 -6.985 1.00 0.00 N ATOM 0 H ASN A 19 -0.854 -10.137 -4.013 1.00 0.00 H new ATOM 0 HA ASN A 19 0.729 -12.421 -3.356 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.506 -9.773 -4.644 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.446 -11.251 -4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.369 -10.800 -7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.455 -9.735 -6.953 1.00 0.00 H new ATOM 307 N ALA A 20 1.582 -9.533 -1.968 1.00 0.00 N ATOM 308 CA ALA A 20 2.298 -8.947 -0.841 1.00 0.00 C ATOM 309 C ALA A 20 1.768 -9.482 0.485 1.00 0.00 C ATOM 310 O ALA A 20 2.537 -9.790 1.394 1.00 0.00 O ATOM 311 CB ALA A 20 2.196 -7.430 -0.880 1.00 0.00 C ATOM 0 H ALA A 20 1.138 -8.853 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 20 3.347 -9.231 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.735 -7.007 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.631 -7.060 -1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.148 -7.134 -0.827 1.00 0.00 H new ATOM 317 N LYS A 21 0.446 -9.597 0.586 1.00 0.00 N ATOM 318 CA LYS A 21 -0.187 -10.098 1.801 1.00 0.00 C ATOM 319 C LYS A 21 0.337 -11.487 2.152 1.00 0.00 C ATOM 320 O LYS A 21 0.763 -11.735 3.280 1.00 0.00 O ATOM 321 CB LYS A 21 -1.706 -10.144 1.628 1.00 0.00 C ATOM 322 CG LYS A 21 -2.459 -10.414 2.921 1.00 0.00 C ATOM 323 CD LYS A 21 -3.855 -10.952 2.652 1.00 0.00 C ATOM 324 CE LYS A 21 -3.837 -12.451 2.401 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.149 -13.082 2.708 1.00 0.00 N ATOM 0 H LYS A 21 -0.206 -9.350 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 21 0.059 -9.418 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.045 -9.195 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.957 -10.918 0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.902 -11.131 3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.528 -9.494 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.501 -10.732 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.282 -10.443 1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.578 -12.641 1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.061 -12.912 3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.094 -14.104 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.385 -12.923 3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.886 -12.661 2.107 1.00 0.00 H new ATOM 339 N ARG A 22 0.307 -12.388 1.175 1.00 0.00 N ATOM 340 CA ARG A 22 0.784 -13.751 1.379 1.00 0.00 C ATOM 341 C ARG A 22 2.257 -13.747 1.771 1.00 0.00 C ATOM 342 O ARG A 22 2.671 -14.460 2.684 1.00 0.00 O ATOM 343 CB ARG A 22 0.583 -14.584 0.111 1.00 0.00 C ATOM 344 CG ARG A 22 0.800 -16.074 0.322 1.00 0.00 C ATOM 345 CD ARG A 22 1.462 -16.718 -0.885 1.00 0.00 C ATOM 346 NE ARG A 22 0.639 -16.608 -2.087 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.401 -17.397 -2.347 1.00 0.00 C ATOM 348 NH1 ARG A 22 -0.748 -18.353 -1.495 1.00 0.00 N ATOM 349 NH2 ARG A 22 -1.097 -17.229 -3.464 1.00 0.00 N ATOM 0 H ARG A 22 -0.042 -12.199 0.235 1.00 0.00 H new ATOM 0 HA ARG A 22 0.206 -14.198 2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.428 -14.422 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.269 -14.231 -0.659 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.420 -16.231 1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.157 -16.558 0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.428 -16.246 -1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.656 -17.770 -0.674 1.00 0.00 H new ATOM 0 HE ARG A 22 0.875 -15.885 -2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.217 -18.487 -0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.546 -18.954 -1.700 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.835 -16.496 -4.123 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.894 -17.833 -3.664 1.00 0.00 H new ATOM 363 N LEU A 23 3.041 -12.926 1.079 1.00 0.00 N ATOM 364 CA LEU A 23 4.467 -12.811 1.355 1.00 0.00 C ATOM 365 C LEU A 23 4.695 -12.376 2.797 1.00 0.00 C ATOM 366 O LEU A 23 5.408 -13.036 3.552 1.00 0.00 O ATOM 367 CB LEU A 23 5.107 -11.804 0.391 1.00 0.00 C ATOM 368 CG LEU A 23 6.537 -11.375 0.735 1.00 0.00 C ATOM 369 CD1 LEU A 23 7.249 -10.864 -0.507 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.529 -10.308 1.820 1.00 0.00 C ATOM 0 H LEU A 23 2.710 -12.329 0.321 1.00 0.00 H new ATOM 0 HA LEU A 23 4.932 -13.786 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.107 -12.236 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.479 -10.914 0.354 1.00 0.00 H new ATOM 0 HG LEU A 23 7.076 -12.244 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.264 -10.563 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.286 -11.655 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.708 -10.007 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.554 -10.016 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.974 -9.438 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.054 -10.705 2.717 1.00 0.00 H new ATOM 382 N LEU A 24 4.079 -11.260 3.172 1.00 0.00 N ATOM 383 CA LEU A 24 4.209 -10.731 4.524 1.00 0.00 C ATOM 384 C LEU A 24 3.779 -11.770 5.552 1.00 0.00 C ATOM 385 O LEU A 24 4.473 -12.001 6.543 1.00 0.00 O ATOM 386 CB LEU A 24 3.374 -9.460 4.679 1.00 0.00 C ATOM 387 CG LEU A 24 3.925 -8.238 3.943 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.793 -7.391 3.390 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.806 -7.413 4.865 1.00 0.00 C ATOM 0 H LEU A 24 3.484 -10.704 2.558 1.00 0.00 H new ATOM 0 HA LEU A 24 5.257 -10.487 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.365 -9.659 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.293 -9.222 5.740 1.00 0.00 H new ATOM 0 HG LEU A 24 4.532 -8.587 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.206 -6.527 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.201 -7.985 2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.158 -7.053 4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.189 -6.548 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.222 -7.076 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.640 -8.022 5.212 1.00 0.00 H new ATOM 401 N THR A 25 2.637 -12.406 5.304 1.00 0.00 N ATOM 402 CA THR A 25 2.129 -13.433 6.204 1.00 0.00 C ATOM 403 C THR A 25 3.177 -14.523 6.397 1.00 0.00 C ATOM 404 O THR A 25 3.359 -15.043 7.497 1.00 0.00 O ATOM 405 CB THR A 25 0.838 -14.037 5.648 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.135 -13.031 5.432 1.00 0.00 O ATOM 407 CG2 THR A 25 0.225 -15.081 6.557 1.00 0.00 C ATOM 0 H THR A 25 2.049 -12.228 4.490 1.00 0.00 H new ATOM 0 HA THR A 25 1.912 -12.976 7.169 1.00 0.00 H new ATOM 0 HB THR A 25 1.124 -14.516 4.712 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.013 -12.644 4.540 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.687 -15.468 6.103 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.933 -15.897 6.703 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.012 -14.630 7.521 1.00 0.00 H new ATOM 415 N VAL A 26 3.877 -14.845 5.312 1.00 0.00 N ATOM 416 CA VAL A 26 4.925 -15.857 5.340 1.00 0.00 C ATOM 417 C VAL A 26 6.207 -15.284 5.937 1.00 0.00 C ATOM 418 O VAL A 26 6.980 -15.995 6.581 1.00 0.00 O ATOM 419 CB VAL A 26 5.221 -16.387 3.922 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.267 -17.489 3.959 1.00 0.00 C ATOM 421 CG2 VAL A 26 3.942 -16.878 3.261 1.00 0.00 C ATOM 0 H VAL A 26 3.735 -14.415 4.398 1.00 0.00 H new ATOM 0 HA VAL A 26 4.570 -16.680 5.960 1.00 0.00 H new ATOM 0 HB VAL A 26 5.623 -15.566 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.457 -17.845 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.191 -17.099 4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.904 -18.315 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.168 -17.249 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.510 -17.682 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.230 -16.056 3.191 1.00 0.00 H new ATOM 431 N LYS A 27 6.421 -13.990 5.719 1.00 0.00 N ATOM 432 CA LYS A 27 7.602 -13.308 6.234 1.00 0.00 C ATOM 433 C LYS A 27 7.504 -13.100 7.745 1.00 0.00 C ATOM 434 O LYS A 27 8.477 -12.706 8.389 1.00 0.00 O ATOM 435 CB LYS A 27 7.774 -11.958 5.529 1.00 0.00 C ATOM 436 CG LYS A 27 9.210 -11.654 5.122 1.00 0.00 C ATOM 437 CD LYS A 27 9.448 -11.953 3.650 1.00 0.00 C ATOM 438 CE LYS A 27 10.627 -12.894 3.453 1.00 0.00 C ATOM 439 NZ LYS A 27 10.357 -13.913 2.403 1.00 0.00 N ATOM 0 H LYS A 27 5.789 -13.392 5.187 1.00 0.00 H new ATOM 0 HA LYS A 27 8.471 -13.934 6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.143 -11.940 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.418 -11.167 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.432 -10.606 5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.894 -12.246 5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.551 -12.398 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.632 -11.022 3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.510 -12.317 3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.853 -13.395 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.185 -14.534 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.530 -14.482 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.167 -13.437 1.498 1.00 0.00 H new ATOM 453 N LYS A 28 6.325 -13.368 8.308 1.00 0.00 N ATOM 454 CA LYS A 28 6.102 -13.210 9.744 1.00 0.00 C ATOM 455 C LYS A 28 6.069 -11.735 10.132 1.00 0.00 C ATOM 456 O LYS A 28 6.680 -11.327 11.120 1.00 0.00 O ATOM 457 CB LYS A 28 7.190 -13.935 10.542 1.00 0.00 C ATOM 458 CG LYS A 28 6.687 -14.542 11.842 1.00 0.00 C ATOM 459 CD LYS A 28 7.476 -15.786 12.217 1.00 0.00 C ATOM 460 CE LYS A 28 6.954 -17.017 11.495 1.00 0.00 C ATOM 461 NZ LYS A 28 7.999 -18.069 11.362 1.00 0.00 N ATOM 0 H LYS A 28 5.510 -13.696 7.790 1.00 0.00 H new ATOM 0 HA LYS A 28 5.135 -13.653 9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.618 -14.724 9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.994 -13.234 10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.764 -13.806 12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.632 -14.795 11.742 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.528 -15.638 11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.419 -15.943 13.294 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.100 -17.421 12.038 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.597 -16.733 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.602 -18.891 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.804 -17.692 10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.322 -18.359 12.307 1.00 0.00 H new ATOM 475 N GLN A 29 5.351 -10.939 9.348 1.00 0.00 N ATOM 476 CA GLN A 29 5.240 -9.510 9.610 1.00 0.00 C ATOM 477 C GLN A 29 3.787 -9.048 9.535 1.00 0.00 C ATOM 478 O GLN A 29 3.087 -9.340 8.565 1.00 0.00 O ATOM 479 CB GLN A 29 6.084 -8.721 8.606 1.00 0.00 C ATOM 480 CG GLN A 29 7.532 -8.538 9.036 1.00 0.00 C ATOM 481 CD GLN A 29 8.382 -9.760 8.752 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.717 -10.044 7.602 1.00 0.00 O ATOM 483 NE2 GLN A 29 8.738 -10.492 9.802 1.00 0.00 N ATOM 0 H GLN A 29 4.838 -11.259 8.527 1.00 0.00 H new ATOM 0 HA GLN A 29 5.610 -9.325 10.619 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.062 -9.233 7.644 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.632 -7.741 8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.955 -7.677 8.518 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.565 -8.316 10.103 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.438 -10.220 10.738 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.311 -11.326 9.672 1.00 0.00 H new ATOM 492 N PRO A 30 3.313 -8.306 10.552 1.00 0.00 N ATOM 493 CA PRO A 30 1.943 -7.791 10.582 1.00 0.00 C ATOM 494 C PRO A 30 1.822 -6.506 9.782 1.00 0.00 C ATOM 495 O PRO A 30 2.826 -5.851 9.516 1.00 0.00 O ATOM 496 CB PRO A 30 1.740 -7.501 12.063 1.00 0.00 C ATOM 497 CG PRO A 30 3.081 -7.027 12.500 1.00 0.00 C ATOM 498 CD PRO A 30 4.071 -7.886 11.752 1.00 0.00 C ATOM 0 HA PRO A 30 1.215 -8.480 10.154 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.972 -6.744 12.224 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.429 -8.391 12.609 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.221 -5.972 12.266 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.204 -7.133 13.578 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.969 -7.328 11.487 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.392 -8.742 12.346 1.00 0.00 H new ATOM 506 N PHE A 31 0.604 -6.141 9.402 1.00 0.00 N ATOM 507 CA PHE A 31 0.396 -4.922 8.633 1.00 0.00 C ATOM 508 C PHE A 31 -1.055 -4.451 8.693 1.00 0.00 C ATOM 509 O PHE A 31 -1.929 -5.163 9.188 1.00 0.00 O ATOM 510 CB PHE A 31 0.813 -5.126 7.188 1.00 0.00 C ATOM 511 CG PHE A 31 0.210 -6.352 6.585 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.653 -7.603 6.969 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.807 -6.258 5.654 1.00 0.00 C ATOM 514 CE1 PHE A 31 0.095 -8.743 6.438 1.00 0.00 C ATOM 515 CE2 PHE A 31 -1.371 -7.396 5.113 1.00 0.00 C ATOM 516 CZ PHE A 31 -0.921 -8.643 5.507 1.00 0.00 C ATOM 0 H PHE A 31 -0.246 -6.665 9.611 1.00 0.00 H new ATOM 0 HA PHE A 31 1.018 -4.148 9.082 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.519 -4.255 6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.899 -5.195 7.133 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.448 -7.687 7.695 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.164 -5.286 5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.451 -9.714 6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.163 -7.313 4.383 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.362 -9.535 5.088 1.00 0.00 H new ATOM 526 N GLU A 32 -1.305 -3.248 8.172 1.00 0.00 N ATOM 527 CA GLU A 32 -2.647 -2.683 8.155 1.00 0.00 C ATOM 528 C GLU A 32 -2.976 -2.129 6.775 1.00 0.00 C ATOM 529 O GLU A 32 -2.278 -1.252 6.265 1.00 0.00 O ATOM 530 CB GLU A 32 -2.775 -1.574 9.201 1.00 0.00 C ATOM 531 CG GLU A 32 -1.867 -0.383 8.941 1.00 0.00 C ATOM 532 CD GLU A 32 -1.784 0.557 10.127 1.00 0.00 C ATOM 533 OE1 GLU A 32 -2.834 1.105 10.525 1.00 0.00 O ATOM 534 OE2 GLU A 32 -0.669 0.744 10.659 1.00 0.00 O ATOM 0 H GLU A 32 -0.591 -2.649 7.757 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.353 -3.478 8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.809 -1.232 9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.547 -1.986 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.867 -0.740 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.233 0.165 8.073 1.00 0.00 H new ATOM 541 N PHE A 33 -4.037 -2.652 6.176 1.00 0.00 N ATOM 542 CA PHE A 33 -4.461 -2.221 4.860 1.00 0.00 C ATOM 543 C PHE A 33 -5.442 -1.060 4.962 1.00 0.00 C ATOM 544 O PHE A 33 -6.175 -0.937 5.943 1.00 0.00 O ATOM 545 CB PHE A 33 -5.104 -3.397 4.121 1.00 0.00 C ATOM 546 CG PHE A 33 -5.138 -3.244 2.629 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.300 -2.352 1.986 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.015 -3.999 1.871 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.335 -2.212 0.614 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.055 -3.866 0.496 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.212 -2.969 -0.132 1.00 0.00 C ATOM 0 H PHE A 33 -4.621 -3.380 6.588 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.589 -1.878 4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.560 -4.308 4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.123 -3.526 4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.609 -1.757 2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.676 -4.700 2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.676 -1.510 0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.743 -4.461 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.241 -2.861 -1.206 1.00 0.00 H new ATOM 561 N ILE A 34 -5.447 -0.210 3.943 1.00 0.00 N ATOM 562 CA ILE A 34 -6.328 0.943 3.909 1.00 0.00 C ATOM 563 C ILE A 34 -6.837 1.180 2.496 1.00 0.00 C ATOM 564 O ILE A 34 -6.057 1.357 1.560 1.00 0.00 O ATOM 565 CB ILE A 34 -5.618 2.217 4.399 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.875 1.954 5.711 1.00 0.00 C ATOM 567 CG2 ILE A 34 -6.617 3.349 4.563 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.811 2.986 6.018 1.00 0.00 C ATOM 0 H ILE A 34 -4.845 -0.302 3.125 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.162 0.728 4.577 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.884 2.512 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.595 1.931 6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.412 0.968 5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.100 4.243 4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.094 3.555 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.375 3.062 5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.325 2.738 6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.070 2.993 5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.271 3.971 6.095 1.00 0.00 H new ATOM 580 N ASN A 35 -8.147 1.185 2.358 1.00 0.00 N ATOM 581 CA ASN A 35 -8.784 1.403 1.068 1.00 0.00 C ATOM 582 C ASN A 35 -8.972 2.893 0.813 1.00 0.00 C ATOM 583 O ASN A 35 -9.674 3.576 1.557 1.00 0.00 O ATOM 584 CB ASN A 35 -10.131 0.682 1.009 1.00 0.00 C ATOM 585 CG ASN A 35 -10.054 -0.733 1.550 1.00 0.00 C ATOM 586 OD1 ASN A 35 -8.988 -1.444 1.199 1.00 0.00 O flip ATOM 587 ND2 ASN A 35 -10.939 -1.181 2.279 1.00 0.00 N flip ATOM 0 H ASN A 35 -8.799 1.040 3.129 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.137 0.996 0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.868 1.247 1.580 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.481 0.655 -0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.741 -0.600 2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.870 -2.133 2.638 1.00 0.00 H new ATOM 594 N ILE A 36 -8.334 3.388 -0.240 1.00 0.00 N ATOM 595 CA ILE A 36 -8.424 4.800 -0.593 1.00 0.00 C ATOM 596 C ILE A 36 -9.474 5.027 -1.670 1.00 0.00 C ATOM 597 O ILE A 36 -9.335 5.911 -2.516 1.00 0.00 O ATOM 598 CB ILE A 36 -7.068 5.338 -1.078 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.634 4.625 -2.360 1.00 0.00 C ATOM 600 CG2 ILE A 36 -6.027 5.159 0.012 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.323 5.135 -2.920 1.00 0.00 C ATOM 0 H ILE A 36 -7.749 2.833 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.716 5.341 0.307 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.168 6.400 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.544 3.557 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.413 4.743 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.067 5.541 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.335 5.707 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.930 4.100 0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.077 4.585 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.415 6.196 -3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.532 4.992 -2.183 1.00 0.00 H new ATOM 613 N MET A 37 -10.523 4.221 -1.628 1.00 0.00 N ATOM 614 CA MET A 37 -11.603 4.317 -2.596 1.00 0.00 C ATOM 615 C MET A 37 -12.863 3.639 -2.063 1.00 0.00 C ATOM 616 O MET A 37 -13.135 2.479 -2.374 1.00 0.00 O ATOM 617 CB MET A 37 -11.173 3.683 -3.921 1.00 0.00 C ATOM 618 CG MET A 37 -12.256 3.690 -4.984 1.00 0.00 C ATOM 619 SD MET A 37 -11.836 2.666 -6.408 1.00 0.00 S ATOM 620 CE MET A 37 -10.767 3.771 -7.327 1.00 0.00 C ATOM 0 H MET A 37 -10.649 3.489 -0.929 1.00 0.00 H new ATOM 0 HA MET A 37 -11.829 5.370 -2.766 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.301 4.215 -4.301 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.864 2.654 -3.737 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.190 3.335 -4.548 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.428 4.714 -5.315 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.003 3.191 -7.845 1.00 0.00 H new ATOM 0 HE2 MET A 37 -11.358 4.326 -8.056 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.289 4.470 -6.640 1.00 0.00 H new ATOM 630 N PRO A 38 -13.642 4.354 -1.231 1.00 0.00 N ATOM 631 CA PRO A 38 -14.872 3.823 -0.633 1.00 0.00 C ATOM 632 C PRO A 38 -16.017 3.704 -1.637 1.00 0.00 C ATOM 633 O PRO A 38 -17.089 3.198 -1.307 1.00 0.00 O ATOM 634 CB PRO A 38 -15.228 4.847 0.458 1.00 0.00 C ATOM 635 CG PRO A 38 -14.059 5.774 0.548 1.00 0.00 C ATOM 636 CD PRO A 38 -13.384 5.728 -0.791 1.00 0.00 C ATOM 0 HA PRO A 38 -14.720 2.812 -0.255 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.138 5.390 0.202 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.409 4.353 1.413 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.383 6.787 0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.376 5.464 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.803 6.460 -1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.317 5.936 -0.714 1.00 0.00 H new ATOM 644 N GLU A 39 -15.791 4.175 -2.859 1.00 0.00 N ATOM 645 CA GLU A 39 -16.815 4.116 -3.894 1.00 0.00 C ATOM 646 C GLU A 39 -16.207 3.733 -5.237 1.00 0.00 C ATOM 647 O GLU A 39 -15.018 3.941 -5.475 1.00 0.00 O ATOM 648 CB GLU A 39 -17.533 5.462 -4.007 1.00 0.00 C ATOM 649 CG GLU A 39 -18.741 5.584 -3.093 1.00 0.00 C ATOM 650 CD GLU A 39 -20.048 5.312 -3.813 1.00 0.00 C ATOM 651 OE1 GLU A 39 -20.641 6.271 -4.350 1.00 0.00 O ATOM 652 OE2 GLU A 39 -20.477 4.139 -3.841 1.00 0.00 O ATOM 0 H GLU A 39 -14.912 4.600 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.539 3.351 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.829 6.261 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.852 5.609 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.636 4.885 -2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.768 6.586 -2.665 1.00 0.00 H new ATOM 659 N LYS A 40 -17.031 3.168 -6.111 1.00 0.00 N ATOM 660 CA LYS A 40 -16.580 2.742 -7.433 1.00 0.00 C ATOM 661 C LYS A 40 -16.284 3.916 -8.350 1.00 0.00 C ATOM 662 O LYS A 40 -15.780 3.744 -9.461 1.00 0.00 O ATOM 663 CB LYS A 40 -17.605 1.809 -8.078 1.00 0.00 C ATOM 664 CG LYS A 40 -18.933 2.483 -8.376 1.00 0.00 C ATOM 665 CD LYS A 40 -18.992 2.987 -9.809 1.00 0.00 C ATOM 666 CE LYS A 40 -20.105 4.006 -9.996 1.00 0.00 C ATOM 667 NZ LYS A 40 -21.399 3.357 -10.343 1.00 0.00 N ATOM 0 H LYS A 40 -18.019 2.993 -5.928 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.645 2.200 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.191 1.413 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.778 0.959 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.747 1.779 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.081 3.317 -7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.036 3.437 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.149 2.147 -10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.224 4.586 -9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.827 4.706 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.132 4.085 -10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.293 2.824 -11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.677 2.708 -9.580 1.00 0.00 H new ATOM 681 N GLY A 41 -16.610 5.097 -7.883 1.00 0.00 N ATOM 682 CA GLY A 41 -16.380 6.300 -8.665 1.00 0.00 C ATOM 683 C GLY A 41 -15.838 7.452 -7.843 1.00 0.00 C ATOM 684 O GLY A 41 -15.898 8.603 -8.274 1.00 0.00 O ATOM 0 H GLY A 41 -17.034 5.257 -6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.679 6.075 -9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.316 6.605 -9.134 1.00 0.00 H new ATOM 688 N VAL A 42 -15.299 7.156 -6.660 1.00 0.00 N ATOM 689 CA VAL A 42 -14.751 8.206 -5.809 1.00 0.00 C ATOM 690 C VAL A 42 -13.614 7.714 -4.921 1.00 0.00 C ATOM 691 O VAL A 42 -13.803 6.873 -4.042 1.00 0.00 O ATOM 692 CB VAL A 42 -15.824 8.830 -4.905 1.00 0.00 C ATOM 693 CG1 VAL A 42 -15.316 10.127 -4.295 1.00 0.00 C ATOM 694 CG2 VAL A 42 -17.112 9.064 -5.677 1.00 0.00 C ATOM 0 H VAL A 42 -15.231 6.213 -6.276 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.364 8.955 -6.501 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.040 8.132 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -16.089 10.556 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.425 9.925 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.069 10.831 -5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.857 9.507 -5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.919 9.740 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.485 8.114 -6.059 1.00 0.00 H new ATOM 704 N PHE A 43 -12.439 8.273 -5.152 1.00 0.00 N ATOM 705 CA PHE A 43 -11.249 7.945 -4.379 1.00 0.00 C ATOM 706 C PHE A 43 -11.339 8.537 -2.972 1.00 0.00 C ATOM 707 O PHE A 43 -12.221 9.346 -2.684 1.00 0.00 O ATOM 708 CB PHE A 43 -10.008 8.494 -5.082 1.00 0.00 C ATOM 709 CG PHE A 43 -9.376 7.526 -6.036 1.00 0.00 C ATOM 710 CD1 PHE A 43 -8.598 6.486 -5.565 1.00 0.00 C ATOM 711 CD2 PHE A 43 -9.556 7.661 -7.402 1.00 0.00 C ATOM 712 CE1 PHE A 43 -8.008 5.596 -6.435 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.968 6.772 -8.282 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.192 5.738 -7.798 1.00 0.00 C ATOM 0 H PHE A 43 -12.281 8.968 -5.881 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.178 6.860 -4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.280 9.400 -5.624 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.273 8.781 -4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.451 6.369 -4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.162 8.469 -7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.402 4.788 -6.053 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.115 6.886 -9.346 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.730 5.042 -8.482 1.00 0.00 H new ATOM 724 N ASP A 44 -10.410 8.140 -2.107 1.00 0.00 N ATOM 725 CA ASP A 44 -10.370 8.635 -0.734 1.00 0.00 C ATOM 726 C ASP A 44 -9.318 9.731 -0.581 1.00 0.00 C ATOM 727 O ASP A 44 -8.145 9.447 -0.337 1.00 0.00 O ATOM 728 CB ASP A 44 -10.067 7.487 0.231 1.00 0.00 C ATOM 729 CG ASP A 44 -10.506 7.791 1.651 1.00 0.00 C ATOM 730 OD1 ASP A 44 -10.234 8.911 2.129 1.00 0.00 O ATOM 731 OD2 ASP A 44 -11.120 6.906 2.284 1.00 0.00 O ATOM 0 H ASP A 44 -9.672 7.474 -2.334 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.346 9.057 -0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.569 6.583 -0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.997 7.281 0.221 1.00 0.00 H new ATOM 736 N ASP A 45 -9.742 10.980 -0.727 1.00 0.00 N ATOM 737 CA ASP A 45 -8.833 12.116 -0.608 1.00 0.00 C ATOM 738 C ASP A 45 -8.256 12.225 0.803 1.00 0.00 C ATOM 739 O ASP A 45 -7.178 12.787 0.996 1.00 0.00 O ATOM 740 CB ASP A 45 -9.556 13.415 -0.973 1.00 0.00 C ATOM 741 CG ASP A 45 -10.030 13.427 -2.413 1.00 0.00 C ATOM 742 OD1 ASP A 45 -9.210 13.143 -3.311 1.00 0.00 O ATOM 743 OD2 ASP A 45 -11.222 13.722 -2.643 1.00 0.00 O ATOM 0 H ASP A 45 -10.709 11.233 -0.928 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.008 11.953 -1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.411 13.550 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.887 14.259 -0.806 1.00 0.00 H new ATOM 748 N GLU A 46 -8.975 11.688 1.785 1.00 0.00 N ATOM 749 CA GLU A 46 -8.520 11.734 3.172 1.00 0.00 C ATOM 750 C GLU A 46 -7.247 10.915 3.353 1.00 0.00 C ATOM 751 O GLU A 46 -6.213 11.438 3.772 1.00 0.00 O ATOM 752 CB GLU A 46 -9.612 11.216 4.110 1.00 0.00 C ATOM 753 CG GLU A 46 -10.929 11.963 3.982 1.00 0.00 C ATOM 754 CD GLU A 46 -11.596 12.203 5.322 1.00 0.00 C ATOM 755 OE1 GLU A 46 -10.890 12.601 6.273 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.822 11.993 5.422 1.00 0.00 O ATOM 0 H GLU A 46 -9.870 11.218 1.648 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.302 12.772 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.782 10.159 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.260 11.290 5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.753 12.920 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.604 11.395 3.341 1.00 0.00 H new ATOM 763 N LYS A 47 -7.328 9.628 3.032 1.00 0.00 N ATOM 764 CA LYS A 47 -6.179 8.743 3.152 1.00 0.00 C ATOM 765 C LYS A 47 -5.126 9.100 2.111 1.00 0.00 C ATOM 766 O LYS A 47 -3.925 8.990 2.359 1.00 0.00 O ATOM 767 CB LYS A 47 -6.606 7.283 2.989 1.00 0.00 C ATOM 768 CG LYS A 47 -7.750 6.878 3.904 1.00 0.00 C ATOM 769 CD LYS A 47 -7.328 6.891 5.364 1.00 0.00 C ATOM 770 CE LYS A 47 -8.494 7.234 6.277 1.00 0.00 C ATOM 771 NZ LYS A 47 -8.499 8.674 6.654 1.00 0.00 N ATOM 0 H LYS A 47 -8.176 9.177 2.688 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.749 8.870 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.902 7.113 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.749 6.638 3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.590 7.558 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.098 5.881 3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.926 5.915 5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.527 7.617 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.431 6.986 5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.441 6.623 7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.309 8.867 7.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.616 8.905 7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.575 9.257 5.796 1.00 0.00 H new ATOM 785 N ILE A 48 -5.589 9.537 0.948 1.00 0.00 N ATOM 786 CA ILE A 48 -4.695 9.923 -0.132 1.00 0.00 C ATOM 787 C ILE A 48 -3.979 11.228 0.203 1.00 0.00 C ATOM 788 O ILE A 48 -2.834 11.438 -0.196 1.00 0.00 O ATOM 789 CB ILE A 48 -5.468 10.091 -1.459 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.017 8.741 -1.927 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.583 10.709 -2.533 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.207 8.863 -2.853 1.00 0.00 C ATOM 0 H ILE A 48 -6.581 9.633 0.729 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.959 9.127 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.304 10.768 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.225 8.192 -2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.303 8.152 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.152 10.816 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.240 11.690 -2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.722 10.065 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.544 7.868 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.015 9.384 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.920 9.425 -3.742 1.00 0.00 H new ATOM 804 N ALA A 49 -4.664 12.100 0.935 1.00 0.00 N ATOM 805 CA ALA A 49 -4.093 13.384 1.320 1.00 0.00 C ATOM 806 C ALA A 49 -2.848 13.189 2.174 1.00 0.00 C ATOM 807 O ALA A 49 -1.776 13.701 1.852 1.00 0.00 O ATOM 808 CB ALA A 49 -5.123 14.221 2.066 1.00 0.00 C ATOM 0 H ALA A 49 -5.613 11.941 1.273 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.804 13.914 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.681 15.177 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.985 14.395 1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.441 13.691 2.964 1.00 0.00 H new ATOM 814 N GLU A 50 -2.995 12.442 3.264 1.00 0.00 N ATOM 815 CA GLU A 50 -1.873 12.180 4.155 1.00 0.00 C ATOM 816 C GLU A 50 -0.769 11.431 3.415 1.00 0.00 C ATOM 817 O GLU A 50 0.411 11.567 3.735 1.00 0.00 O ATOM 818 CB GLU A 50 -2.331 11.387 5.383 1.00 0.00 C ATOM 819 CG GLU A 50 -2.580 9.911 5.112 1.00 0.00 C ATOM 820 CD GLU A 50 -3.694 9.338 5.968 1.00 0.00 C ATOM 821 OE1 GLU A 50 -4.388 10.125 6.646 1.00 0.00 O ATOM 822 OE2 GLU A 50 -3.869 8.101 5.962 1.00 0.00 O ATOM 0 H GLU A 50 -3.874 12.011 3.549 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.474 13.136 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.576 11.480 6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.247 11.834 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.830 9.776 4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.662 9.352 5.296 1.00 0.00 H new ATOM 829 N LEU A 51 -1.163 10.651 2.410 1.00 0.00 N ATOM 830 CA LEU A 51 -0.211 9.889 1.616 1.00 0.00 C ATOM 831 C LEU A 51 0.789 10.828 0.947 1.00 0.00 C ATOM 832 O LEU A 51 2.000 10.667 1.097 1.00 0.00 O ATOM 833 CB LEU A 51 -0.955 9.058 0.568 1.00 0.00 C ATOM 834 CG LEU A 51 -0.184 7.871 0.009 1.00 0.00 C ATOM 835 CD1 LEU A 51 -1.079 7.028 -0.888 1.00 0.00 C ATOM 836 CD2 LEU A 51 1.041 8.334 -0.751 1.00 0.00 C ATOM 0 H LEU A 51 -2.136 10.532 2.129 1.00 0.00 H new ATOM 0 HA LEU A 51 0.339 9.213 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.882 8.692 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.233 9.711 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 51 0.146 7.256 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.511 6.184 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.927 6.659 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.441 7.637 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.576 7.468 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.735 8.975 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.695 8.893 -0.082 1.00 0.00 H new ATOM 848 N LEU A 52 0.275 11.824 0.226 1.00 0.00 N ATOM 849 CA LEU A 52 1.119 12.799 -0.446 1.00 0.00 C ATOM 850 C LEU A 52 2.110 13.423 0.526 1.00 0.00 C ATOM 851 O LEU A 52 3.307 13.507 0.247 1.00 0.00 O ATOM 852 CB LEU A 52 0.234 13.866 -1.049 1.00 0.00 C ATOM 853 CG LEU A 52 -0.973 13.317 -1.799 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.421 14.320 -2.810 1.00 0.00 C ATOM 855 CD2 LEU A 52 -0.645 11.996 -2.486 1.00 0.00 C ATOM 0 H LEU A 52 -0.725 11.973 0.095 1.00 0.00 H new ATOM 0 HA LEU A 52 1.693 12.303 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.114 14.527 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.828 14.473 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.772 13.130 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.285 13.932 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.694 15.247 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.611 14.514 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.527 11.631 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.166 12.148 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.339 11.264 -1.739 1.00 0.00 H new ATOM 867 N THR A 53 1.601 13.849 1.678 1.00 0.00 N ATOM 868 CA THR A 53 2.435 14.460 2.708 1.00 0.00 C ATOM 869 C THR A 53 3.612 13.554 3.056 1.00 0.00 C ATOM 870 O THR A 53 4.736 14.020 3.239 1.00 0.00 O ATOM 871 CB THR A 53 1.605 14.744 3.962 1.00 0.00 C ATOM 872 OG1 THR A 53 0.429 15.462 3.633 1.00 0.00 O ATOM 873 CG2 THR A 53 2.353 15.542 5.008 1.00 0.00 C ATOM 0 H THR A 53 0.613 13.782 1.922 1.00 0.00 H new ATOM 0 HA THR A 53 2.824 15.401 2.319 1.00 0.00 H new ATOM 0 HB THR A 53 1.367 13.765 4.378 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.089 15.632 4.447 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.707 15.708 5.870 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.240 14.991 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.651 16.503 4.588 1.00 0.00 H new ATOM 881 N LYS A 54 3.343 12.254 3.136 1.00 0.00 N ATOM 882 CA LYS A 54 4.375 11.275 3.457 1.00 0.00 C ATOM 883 C LYS A 54 5.362 11.131 2.301 1.00 0.00 C ATOM 884 O LYS A 54 6.568 11.007 2.515 1.00 0.00 O ATOM 885 CB LYS A 54 3.740 9.921 3.778 1.00 0.00 C ATOM 886 CG LYS A 54 2.816 9.956 4.983 1.00 0.00 C ATOM 887 CD LYS A 54 1.967 8.698 5.070 1.00 0.00 C ATOM 888 CE LYS A 54 2.706 7.577 5.780 1.00 0.00 C ATOM 889 NZ LYS A 54 2.816 7.825 7.245 1.00 0.00 N ATOM 0 H LYS A 54 2.417 11.854 2.983 1.00 0.00 H new ATOM 0 HA LYS A 54 4.919 11.627 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.179 9.577 2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.530 9.191 3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.407 10.061 5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.168 10.830 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.041 8.919 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.690 8.374 4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.186 6.634 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.704 7.473 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.074 6.941 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.548 8.542 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.903 8.165 7.609 1.00 0.00 H new ATOM 903 N LEU A 55 4.842 11.155 1.077 1.00 0.00 N ATOM 904 CA LEU A 55 5.679 11.035 -0.112 1.00 0.00 C ATOM 905 C LEU A 55 6.703 12.164 -0.160 1.00 0.00 C ATOM 906 O LEU A 55 7.880 11.941 -0.445 1.00 0.00 O ATOM 907 CB LEU A 55 4.817 11.063 -1.375 1.00 0.00 C ATOM 908 CG LEU A 55 4.007 9.791 -1.658 1.00 0.00 C ATOM 909 CD1 LEU A 55 3.970 9.515 -3.147 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.582 8.590 -0.922 1.00 0.00 C ATOM 0 H LEU A 55 3.846 11.256 0.883 1.00 0.00 H new ATOM 0 HA LEU A 55 6.207 10.082 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.126 11.903 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.465 11.257 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 55 2.992 9.955 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.392 8.610 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.505 10.356 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.986 9.380 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.984 7.706 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.610 8.424 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.565 8.779 0.151 1.00 0.00 H new ATOM 922 N GLY A 56 6.241 13.376 0.126 1.00 0.00 N ATOM 923 CA GLY A 56 7.114 14.535 0.112 1.00 0.00 C ATOM 924 C GLY A 56 6.338 15.825 -0.062 1.00 0.00 C ATOM 925 O GLY A 56 5.284 16.007 0.547 1.00 0.00 O ATOM 0 H GLY A 56 5.271 13.577 0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.680 14.574 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.838 14.435 -0.697 1.00 0.00 H new ATOM 929 N ARG A 57 6.849 16.717 -0.903 1.00 0.00 N ATOM 930 CA ARG A 57 6.183 17.990 -1.163 1.00 0.00 C ATOM 931 C ARG A 57 5.898 18.148 -2.649 1.00 0.00 C ATOM 932 O ARG A 57 5.868 19.259 -3.176 1.00 0.00 O ATOM 933 CB ARG A 57 7.040 19.155 -0.663 1.00 0.00 C ATOM 934 CG ARG A 57 7.314 19.107 0.831 1.00 0.00 C ATOM 935 CD ARG A 57 6.414 20.065 1.595 1.00 0.00 C ATOM 936 NE ARG A 57 6.482 19.847 3.038 1.00 0.00 N ATOM 937 CZ ARG A 57 5.589 20.325 3.902 1.00 0.00 C ATOM 938 NH1 ARG A 57 4.561 21.047 3.475 1.00 0.00 N ATOM 939 NH2 ARG A 57 5.725 20.080 5.199 1.00 0.00 N ATOM 0 H ARG A 57 7.720 16.584 -1.416 1.00 0.00 H new ATOM 0 HA ARG A 57 5.236 17.998 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.989 19.154 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.540 20.093 -0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.161 18.092 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.358 19.359 1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.703 21.092 1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.385 19.942 1.258 1.00 0.00 H new ATOM 0 HE ARG A 57 7.259 19.297 3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.451 21.239 2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.881 21.410 4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.513 19.526 5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.041 20.446 5.862 1.00 0.00 H new ATOM 953 N ASP A 58 5.684 17.020 -3.313 1.00 0.00 N ATOM 954 CA ASP A 58 5.395 17.006 -4.733 1.00 0.00 C ATOM 955 C ASP A 58 4.042 16.343 -4.990 1.00 0.00 C ATOM 956 O ASP A 58 3.185 16.290 -4.107 1.00 0.00 O ATOM 957 CB ASP A 58 6.506 16.264 -5.482 1.00 0.00 C ATOM 958 CG ASP A 58 6.868 16.933 -6.793 1.00 0.00 C ATOM 959 OD1 ASP A 58 7.753 17.815 -6.785 1.00 0.00 O ATOM 960 OD2 ASP A 58 6.268 16.577 -7.828 1.00 0.00 O ATOM 0 H ASP A 58 5.707 16.096 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 58 5.350 18.032 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.392 16.208 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.188 15.240 -5.676 1.00 0.00 H new ATOM 965 N THR A 59 3.865 15.837 -6.200 1.00 0.00 N ATOM 966 CA THR A 59 2.629 15.167 -6.586 1.00 0.00 C ATOM 967 C THR A 59 2.909 13.734 -7.024 1.00 0.00 C ATOM 968 O THR A 59 4.064 13.343 -7.195 1.00 0.00 O ATOM 969 CB THR A 59 1.936 15.933 -7.713 1.00 0.00 C ATOM 970 OG1 THR A 59 0.705 15.320 -8.054 1.00 0.00 O ATOM 971 CG2 THR A 59 2.768 16.025 -8.974 1.00 0.00 C ATOM 0 H THR A 59 4.567 15.877 -6.939 1.00 0.00 H new ATOM 0 HA THR A 59 1.969 15.144 -5.719 1.00 0.00 H new ATOM 0 HB THR A 59 1.781 16.940 -7.325 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.276 15.826 -8.776 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.218 16.581 -9.733 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.704 16.539 -8.756 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.982 15.022 -9.343 1.00 0.00 H new ATOM 979 N GLN A 60 1.849 12.958 -7.215 1.00 0.00 N ATOM 980 CA GLN A 60 1.990 11.576 -7.643 1.00 0.00 C ATOM 981 C GLN A 60 2.242 11.514 -9.140 1.00 0.00 C ATOM 982 O GLN A 60 1.316 11.581 -9.947 1.00 0.00 O ATOM 983 CB GLN A 60 0.736 10.774 -7.296 1.00 0.00 C ATOM 984 CG GLN A 60 0.221 11.024 -5.887 1.00 0.00 C ATOM 985 CD GLN A 60 -1.252 10.697 -5.740 1.00 0.00 C ATOM 986 OE1 GLN A 60 -1.638 9.529 -5.683 1.00 0.00 O ATOM 987 NE2 GLN A 60 -2.085 11.730 -5.681 1.00 0.00 N ATOM 0 H GLN A 60 0.885 13.263 -7.080 1.00 0.00 H new ATOM 0 HA GLN A 60 2.840 11.140 -7.118 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.051 11.019 -8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.951 9.712 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.795 10.423 -5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.386 12.069 -5.624 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.722 12.682 -5.732 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.088 11.571 -5.585 1.00 0.00 H new ATOM 996 N ILE A 61 3.508 11.381 -9.495 1.00 0.00 N ATOM 997 CA ILE A 61 3.914 11.309 -10.891 1.00 0.00 C ATOM 998 C ILE A 61 3.699 9.905 -11.449 1.00 0.00 C ATOM 999 O ILE A 61 4.601 9.068 -11.436 1.00 0.00 O ATOM 1000 CB ILE A 61 5.391 11.733 -11.068 1.00 0.00 C ATOM 1001 CG1 ILE A 61 5.748 11.856 -12.557 1.00 0.00 C ATOM 1002 CG2 ILE A 61 6.327 10.768 -10.349 1.00 0.00 C ATOM 1003 CD1 ILE A 61 5.917 10.530 -13.271 1.00 0.00 C ATOM 0 H ILE A 61 4.280 11.320 -8.831 1.00 0.00 H new ATOM 0 HA ILE A 61 3.289 12.005 -11.450 1.00 0.00 H new ATOM 0 HB ILE A 61 5.520 12.715 -10.613 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.968 12.429 -13.059 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.672 12.426 -12.651 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.359 11.089 -10.490 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.092 10.758 -9.285 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.200 9.766 -10.758 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.168 10.709 -14.317 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.718 9.962 -12.798 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.987 9.964 -13.213 1.00 0.00 H new ATOM 1015 N GLY A 62 2.490 9.655 -11.936 1.00 0.00 N ATOM 1016 CA GLY A 62 2.168 8.354 -12.491 1.00 0.00 C ATOM 1017 C GLY A 62 2.371 7.231 -11.493 1.00 0.00 C ATOM 1018 O GLY A 62 2.651 6.095 -11.877 1.00 0.00 O ATOM 0 H GLY A 62 1.726 10.330 -11.957 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.132 8.353 -12.828 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.789 8.173 -13.368 1.00 0.00 H new ATOM 1022 N LEU A 63 2.234 7.548 -10.209 1.00 0.00 N ATOM 1023 CA LEU A 63 2.406 6.551 -9.157 1.00 0.00 C ATOM 1024 C LEU A 63 1.445 5.383 -9.359 1.00 0.00 C ATOM 1025 O LEU A 63 0.667 5.369 -10.313 1.00 0.00 O ATOM 1026 CB LEU A 63 2.186 7.178 -7.780 1.00 0.00 C ATOM 1027 CG LEU A 63 3.074 6.639 -6.643 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.297 5.898 -7.173 1.00 0.00 C ATOM 1029 CD2 LEU A 63 3.512 7.780 -5.751 1.00 0.00 C ATOM 0 H LEU A 63 2.005 8.483 -9.873 1.00 0.00 H new ATOM 0 HA LEU A 63 3.428 6.175 -9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.348 8.253 -7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.143 7.033 -7.499 1.00 0.00 H new ATOM 0 HG LEU A 63 2.480 5.926 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.894 5.536 -6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.975 5.053 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.897 6.575 -7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.140 7.394 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.077 8.504 -6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.634 8.265 -5.324 1.00 0.00 H new ATOM 1041 N THR A 64 1.499 4.405 -8.461 1.00 0.00 N ATOM 1042 CA THR A 64 0.629 3.241 -8.563 1.00 0.00 C ATOM 1043 C THR A 64 0.307 2.649 -7.193 1.00 0.00 C ATOM 1044 O THR A 64 1.026 2.872 -6.217 1.00 0.00 O ATOM 1045 CB THR A 64 1.279 2.176 -9.446 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.495 1.725 -8.877 1.00 0.00 O ATOM 1047 CG2 THR A 64 1.580 2.663 -10.847 1.00 0.00 C ATOM 0 H THR A 64 2.131 4.395 -7.661 1.00 0.00 H new ATOM 0 HA THR A 64 -0.308 3.570 -9.013 1.00 0.00 H new ATOM 0 HB THR A 64 0.550 1.368 -9.508 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.894 1.043 -9.456 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.040 1.859 -11.421 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.654 2.971 -11.332 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.263 3.511 -10.799 1.00 0.00 H new ATOM 1055 N MET A 65 -0.774 1.881 -7.140 1.00 0.00 N ATOM 1056 CA MET A 65 -1.202 1.235 -5.910 1.00 0.00 C ATOM 1057 C MET A 65 -1.116 -0.280 -6.054 1.00 0.00 C ATOM 1058 O MET A 65 -1.117 -0.800 -7.169 1.00 0.00 O ATOM 1059 CB MET A 65 -2.634 1.651 -5.564 1.00 0.00 C ATOM 1060 CG MET A 65 -2.747 3.081 -5.063 1.00 0.00 C ATOM 1061 SD MET A 65 -4.245 3.902 -5.640 1.00 0.00 S ATOM 1062 CE MET A 65 -3.576 5.460 -6.217 1.00 0.00 C ATOM 0 H MET A 65 -1.373 1.691 -7.943 1.00 0.00 H new ATOM 0 HA MET A 65 -0.541 1.549 -5.102 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.261 1.534 -6.448 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.026 0.976 -4.803 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.733 3.082 -3.973 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.876 3.648 -5.393 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.383 6.081 -6.605 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.088 5.975 -5.390 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.849 5.273 -7.008 1.00 0.00 H new ATOM 1072 N PRO A 66 -1.030 -1.019 -4.934 1.00 0.00 N ATOM 1073 CA PRO A 66 -1.022 -0.468 -3.574 1.00 0.00 C ATOM 1074 C PRO A 66 0.339 0.082 -3.154 1.00 0.00 C ATOM 1075 O PRO A 66 1.383 -0.463 -3.517 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.390 -1.679 -2.698 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.706 -2.786 -3.649 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.945 -2.477 -4.900 1.00 0.00 C ATOM 0 HA PRO A 66 -1.704 0.378 -3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.564 -1.952 -2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.245 -1.455 -2.060 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.409 -3.751 -3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.777 -2.839 -3.846 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.086 -2.828 -4.851 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.396 -2.936 -5.780 1.00 0.00 H new ATOM 1086 N GLN A 67 0.315 1.150 -2.362 1.00 0.00 N ATOM 1087 CA GLN A 67 1.537 1.768 -1.863 1.00 0.00 C ATOM 1088 C GLN A 67 1.732 1.430 -0.389 1.00 0.00 C ATOM 1089 O GLN A 67 0.834 1.634 0.423 1.00 0.00 O ATOM 1090 CB GLN A 67 1.481 3.286 -2.051 1.00 0.00 C ATOM 1091 CG GLN A 67 2.697 3.857 -2.761 1.00 0.00 C ATOM 1092 CD GLN A 67 2.436 4.134 -4.229 1.00 0.00 C ATOM 1093 OE1 GLN A 67 1.408 4.706 -4.591 1.00 0.00 O ATOM 1094 NE2 GLN A 67 3.369 3.728 -5.082 1.00 0.00 N ATOM 0 H GLN A 67 -0.543 1.607 -2.051 1.00 0.00 H new ATOM 0 HA GLN A 67 2.382 1.377 -2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.586 3.540 -2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.384 3.761 -1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.000 4.781 -2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.529 3.159 -2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.206 3.258 -4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.249 3.887 -6.082 1.00 0.00 H new ATOM 1103 N VAL A 68 2.897 0.901 -0.044 1.00 0.00 N ATOM 1104 CA VAL A 68 3.170 0.534 1.338 1.00 0.00 C ATOM 1105 C VAL A 68 3.945 1.624 2.066 1.00 0.00 C ATOM 1106 O VAL A 68 4.597 2.460 1.444 1.00 0.00 O ATOM 1107 CB VAL A 68 3.943 -0.797 1.440 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.907 -1.325 2.866 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.379 -1.826 0.469 1.00 0.00 C ATOM 0 H VAL A 68 3.661 0.718 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 68 2.199 0.410 1.816 1.00 0.00 H new ATOM 0 HB VAL A 68 4.982 -0.611 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.457 -2.264 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.366 -0.597 3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.873 -1.492 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.940 -2.756 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.330 -2.010 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.463 -1.449 -0.550 1.00 0.00 H new ATOM 1119 N PHE A 69 3.871 1.600 3.393 1.00 0.00 N ATOM 1120 CA PHE A 69 4.560 2.584 4.218 1.00 0.00 C ATOM 1121 C PHE A 69 5.102 1.938 5.490 1.00 0.00 C ATOM 1122 O PHE A 69 4.485 1.032 6.050 1.00 0.00 O ATOM 1123 CB PHE A 69 3.609 3.729 4.573 1.00 0.00 C ATOM 1124 CG PHE A 69 3.509 4.762 3.492 1.00 0.00 C ATOM 1125 CD1 PHE A 69 2.641 4.586 2.425 1.00 0.00 C ATOM 1126 CD2 PHE A 69 4.296 5.899 3.531 1.00 0.00 C ATOM 1127 CE1 PHE A 69 2.562 5.529 1.418 1.00 0.00 C ATOM 1128 CE2 PHE A 69 4.219 6.845 2.529 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.352 6.660 1.470 1.00 0.00 C ATOM 0 H PHE A 69 3.339 0.908 3.920 1.00 0.00 H new ATOM 0 HA PHE A 69 5.401 2.982 3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.618 3.322 4.772 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.949 4.205 5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.021 3.703 2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.978 6.048 4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.883 5.381 0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.837 7.730 2.573 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.292 7.399 0.684 1.00 0.00 H new ATOM 1139 N ALA A 70 6.268 2.402 5.930 1.00 0.00 N ATOM 1140 CA ALA A 70 6.911 1.864 7.124 1.00 0.00 C ATOM 1141 C ALA A 70 5.965 1.895 8.325 1.00 0.00 C ATOM 1142 O ALA A 70 5.328 2.914 8.592 1.00 0.00 O ATOM 1143 CB ALA A 70 8.178 2.647 7.440 1.00 0.00 C ATOM 0 H ALA A 70 6.788 3.152 5.475 1.00 0.00 H new ATOM 0 HA ALA A 70 7.172 0.825 6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.647 2.235 8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.869 2.575 6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.926 3.693 7.613 1.00 0.00 H new ATOM 1149 N PRO A 71 5.879 0.784 9.080 1.00 0.00 N ATOM 1150 CA PRO A 71 5.015 0.699 10.263 1.00 0.00 C ATOM 1151 C PRO A 71 5.300 1.809 11.269 1.00 0.00 C ATOM 1152 O PRO A 71 4.483 2.088 12.147 1.00 0.00 O ATOM 1153 CB PRO A 71 5.337 -0.671 10.862 1.00 0.00 C ATOM 1154 CG PRO A 71 5.979 -1.452 9.765 1.00 0.00 C ATOM 1155 CD PRO A 71 6.635 -0.459 8.851 1.00 0.00 C ATOM 0 HA PRO A 71 3.963 0.816 10.002 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.005 -0.577 11.718 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.433 -1.165 11.217 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.713 -2.151 10.167 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.238 -2.042 9.226 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.691 -0.334 9.089 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.578 -0.776 7.810 1.00 0.00 H new ATOM 1163 N ASP A 72 6.458 2.447 11.132 1.00 0.00 N ATOM 1164 CA ASP A 72 6.845 3.532 12.022 1.00 0.00 C ATOM 1165 C ASP A 72 8.023 4.302 11.439 1.00 0.00 C ATOM 1166 O ASP A 72 8.944 4.687 12.159 1.00 0.00 O ATOM 1167 CB ASP A 72 7.198 2.984 13.405 1.00 0.00 C ATOM 1168 CG ASP A 72 6.293 3.530 14.492 1.00 0.00 C ATOM 1169 OD1 ASP A 72 5.126 3.091 14.569 1.00 0.00 O ATOM 1170 OD2 ASP A 72 6.751 4.397 15.267 1.00 0.00 O ATOM 0 H ASP A 72 7.145 2.229 10.411 1.00 0.00 H new ATOM 0 HA ASP A 72 6.002 4.215 12.124 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.128 1.896 13.390 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.233 3.234 13.638 1.00 0.00 H new ATOM 1175 N GLY A 73 7.997 4.512 10.124 1.00 0.00 N ATOM 1176 CA GLY A 73 9.081 5.231 9.476 1.00 0.00 C ATOM 1177 C GLY A 73 8.634 6.022 8.263 1.00 0.00 C ATOM 1178 O GLY A 73 7.874 6.982 8.382 1.00 0.00 O ATOM 0 H GLY A 73 7.252 4.200 9.501 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.539 5.910 10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.850 4.520 9.174 1.00 0.00 H new ATOM 1182 N SER A 74 9.126 5.623 7.093 1.00 0.00 N ATOM 1183 CA SER A 74 8.793 6.306 5.842 1.00 0.00 C ATOM 1184 C SER A 74 8.237 5.333 4.811 1.00 0.00 C ATOM 1185 O SER A 74 7.990 4.165 5.107 1.00 0.00 O ATOM 1186 CB SER A 74 10.031 7.004 5.278 1.00 0.00 C ATOM 1187 OG SER A 74 10.925 6.070 4.698 1.00 0.00 O ATOM 0 H SER A 74 9.757 4.830 6.983 1.00 0.00 H new ATOM 0 HA SER A 74 8.025 7.048 6.061 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.730 7.736 4.529 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.537 7.551 6.073 1.00 0.00 H new ATOM 0 HG SER A 74 11.707 6.542 4.344 1.00 0.00 H new ATOM 1193 N HIS A 75 8.042 5.834 3.599 1.00 0.00 N ATOM 1194 CA HIS A 75 7.511 5.034 2.504 1.00 0.00 C ATOM 1195 C HIS A 75 8.493 3.936 2.102 1.00 0.00 C ATOM 1196 O HIS A 75 9.707 4.131 2.148 1.00 0.00 O ATOM 1197 CB HIS A 75 7.216 5.941 1.310 1.00 0.00 C ATOM 1198 CG HIS A 75 6.649 5.223 0.125 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.299 5.100 -1.084 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.458 4.590 -0.024 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.499 4.412 -1.912 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.370 4.079 -1.317 1.00 0.00 N ATOM 0 H HIS A 75 8.246 6.801 3.348 1.00 0.00 H new ATOM 0 HA HIS A 75 6.590 4.555 2.835 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.516 6.717 1.621 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.137 6.443 1.012 1.00 0.00 H new ATOM 0 HD1 HIS A 75 8.224 5.467 -1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.699 4.497 0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.747 4.163 -2.933 1.00 0.00 H new ATOM 1210 N ILE A 76 7.959 2.783 1.706 1.00 0.00 N ATOM 1211 CA ILE A 76 8.790 1.655 1.294 1.00 0.00 C ATOM 1212 C ILE A 76 8.492 1.256 -0.152 1.00 0.00 C ATOM 1213 O ILE A 76 9.392 0.860 -0.891 1.00 0.00 O ATOM 1214 CB ILE A 76 8.594 0.440 2.234 1.00 0.00 C ATOM 1215 CG1 ILE A 76 9.283 0.696 3.573 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.126 -0.842 1.609 1.00 0.00 C ATOM 1217 CD1 ILE A 76 8.312 0.938 4.702 1.00 0.00 C ATOM 0 H ILE A 76 6.956 2.606 1.662 1.00 0.00 H new ATOM 0 HA ILE A 76 9.830 1.974 1.360 1.00 0.00 H new ATOM 0 HB ILE A 76 7.524 0.313 2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.912 -0.159 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.941 1.559 3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.972 -1.673 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.597 -1.039 0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.191 -0.733 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.864 1.113 5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.699 1.810 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.670 0.065 4.823 1.00 0.00 H new ATOM 1229 N GLY A 77 7.228 1.368 -0.553 1.00 0.00 N ATOM 1230 CA GLY A 77 6.855 1.022 -1.912 1.00 0.00 C ATOM 1231 C GLY A 77 5.762 -0.026 -1.980 1.00 0.00 C ATOM 1232 O GLY A 77 4.982 -0.184 -1.042 1.00 0.00 O ATOM 0 H GLY A 77 6.460 1.690 0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.521 1.921 -2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.734 0.656 -2.442 1.00 0.00 H new ATOM 1236 N GLY A 78 5.701 -0.733 -3.103 1.00 0.00 N ATOM 1237 CA GLY A 78 4.693 -1.760 -3.282 1.00 0.00 C ATOM 1238 C GLY A 78 5.197 -3.138 -2.899 1.00 0.00 C ATOM 1239 O GLY A 78 5.872 -3.298 -1.880 1.00 0.00 O ATOM 0 H GLY A 78 6.334 -0.612 -3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.818 -1.516 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.370 -1.771 -4.323 1.00 0.00 H new ATOM 1243 N PHE A 79 4.870 -4.137 -3.714 1.00 0.00 N ATOM 1244 CA PHE A 79 5.295 -5.508 -3.448 1.00 0.00 C ATOM 1245 C PHE A 79 6.801 -5.662 -3.640 1.00 0.00 C ATOM 1246 O PHE A 79 7.545 -5.820 -2.673 1.00 0.00 O ATOM 1247 CB PHE A 79 4.553 -6.482 -4.366 1.00 0.00 C ATOM 1248 CG PHE A 79 4.901 -7.922 -4.118 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.839 -8.454 -2.839 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.292 -8.744 -5.164 1.00 0.00 C ATOM 1251 CE1 PHE A 79 5.162 -9.778 -2.608 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.618 -10.069 -4.938 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.552 -10.586 -3.658 1.00 0.00 C ATOM 0 H PHE A 79 4.314 -4.024 -4.562 1.00 0.00 H new ATOM 0 HA PHE A 79 5.054 -5.739 -2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.479 -6.348 -4.233 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.779 -6.235 -5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.535 -7.827 -2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.343 -8.345 -6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.109 -10.180 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.924 -10.699 -5.761 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.805 -11.621 -3.479 1.00 0.00 H new ATOM 1263 N ASP A 80 7.246 -5.605 -4.893 1.00 0.00 N ATOM 1264 CA ASP A 80 8.666 -5.738 -5.207 1.00 0.00 C ATOM 1265 C ASP A 80 9.482 -4.683 -4.470 1.00 0.00 C ATOM 1266 O ASP A 80 10.490 -4.993 -3.830 1.00 0.00 O ATOM 1267 CB ASP A 80 8.892 -5.609 -6.715 1.00 0.00 C ATOM 1268 CG ASP A 80 10.342 -5.834 -7.101 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.786 -7.002 -7.085 1.00 0.00 O ATOM 1270 OD2 ASP A 80 11.032 -4.843 -7.419 1.00 0.00 O ATOM 0 H ASP A 80 6.645 -5.468 -5.706 1.00 0.00 H new ATOM 0 HA ASP A 80 8.995 -6.725 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.263 -6.330 -7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.581 -4.617 -7.043 1.00 0.00 H new ATOM 1275 N GLN A 81 9.037 -3.433 -4.560 1.00 0.00 N ATOM 1276 CA GLN A 81 9.723 -2.330 -3.896 1.00 0.00 C ATOM 1277 C GLN A 81 9.973 -2.666 -2.433 1.00 0.00 C ATOM 1278 O GLN A 81 11.010 -2.314 -1.871 1.00 0.00 O ATOM 1279 CB GLN A 81 8.901 -1.044 -3.999 1.00 0.00 C ATOM 1280 CG GLN A 81 8.305 -0.805 -5.377 1.00 0.00 C ATOM 1281 CD GLN A 81 8.150 0.669 -5.697 1.00 0.00 C ATOM 1282 OE1 GLN A 81 7.034 1.172 -5.829 1.00 0.00 O ATOM 1283 NE2 GLN A 81 9.271 1.369 -5.824 1.00 0.00 N ATOM 0 H GLN A 81 8.206 -3.159 -5.085 1.00 0.00 H new ATOM 0 HA GLN A 81 10.680 -2.175 -4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.095 -1.079 -3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.534 -0.197 -3.736 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.940 -1.272 -6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.331 -1.290 -5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.175 0.911 -5.706 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.229 2.365 -6.039 1.00 0.00 H new ATOM 1292 N LEU A 82 9.016 -3.359 -1.824 1.00 0.00 N ATOM 1293 CA LEU A 82 9.139 -3.747 -0.431 1.00 0.00 C ATOM 1294 C LEU A 82 9.969 -5.014 -0.283 1.00 0.00 C ATOM 1295 O LEU A 82 10.653 -5.197 0.723 1.00 0.00 O ATOM 1296 CB LEU A 82 7.779 -3.944 0.212 1.00 0.00 C ATOM 1297 CG LEU A 82 7.860 -4.200 1.709 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.807 -3.412 2.460 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.735 -5.680 1.990 1.00 0.00 C ATOM 0 H LEU A 82 8.152 -3.660 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 82 9.650 -2.933 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.167 -3.060 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.275 -4.783 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 82 8.833 -3.860 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.891 -3.617 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.954 -2.347 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.816 -3.704 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.794 -5.853 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.777 -6.042 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.544 -6.215 1.492 1.00 0.00 H new ATOM 1311 N ARG A 83 9.934 -5.882 -1.292 1.00 0.00 N ATOM 1312 CA ARG A 83 10.719 -7.112 -1.252 1.00 0.00 C ATOM 1313 C ARG A 83 12.166 -6.772 -0.925 1.00 0.00 C ATOM 1314 O ARG A 83 12.870 -7.545 -0.273 1.00 0.00 O ATOM 1315 CB ARG A 83 10.637 -7.851 -2.589 1.00 0.00 C ATOM 1316 CG ARG A 83 10.623 -9.364 -2.447 1.00 0.00 C ATOM 1317 CD ARG A 83 9.738 -10.013 -3.499 1.00 0.00 C ATOM 1318 NE ARG A 83 9.891 -11.465 -3.522 1.00 0.00 N ATOM 1319 CZ ARG A 83 9.530 -12.234 -4.548 1.00 0.00 C ATOM 1320 NH1 ARG A 83 8.993 -11.691 -5.634 1.00 0.00 N ATOM 1321 NH2 ARG A 83 9.704 -13.546 -4.487 1.00 0.00 N ATOM 0 H ARG A 83 9.377 -5.758 -2.138 1.00 0.00 H new ATOM 0 HA ARG A 83 10.315 -7.767 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.736 -7.535 -3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.486 -7.560 -3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.639 -9.749 -2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.267 -9.634 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.696 -9.761 -3.302 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.984 -9.607 -4.480 1.00 0.00 H new ATOM 0 HE ARG A 83 10.299 -11.917 -2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.856 -10.682 -5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.718 -12.283 -6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.115 -13.968 -3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.427 -14.134 -5.273 1.00 0.00 H new ATOM 1335 N GLU A 84 12.594 -5.589 -1.364 1.00 0.00 N ATOM 1336 CA GLU A 84 13.943 -5.122 -1.092 1.00 0.00 C ATOM 1337 C GLU A 84 14.101 -4.900 0.405 1.00 0.00 C ATOM 1338 O GLU A 84 15.163 -5.148 0.977 1.00 0.00 O ATOM 1339 CB GLU A 84 14.230 -3.826 -1.854 1.00 0.00 C ATOM 1340 CG GLU A 84 14.829 -4.049 -3.231 1.00 0.00 C ATOM 1341 CD GLU A 84 14.655 -2.851 -4.145 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.285 -1.807 -3.880 1.00 0.00 O ATOM 1343 OE2 GLU A 84 13.885 -2.957 -5.123 1.00 0.00 O ATOM 0 H GLU A 84 12.024 -4.941 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 84 14.657 -5.874 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.303 -3.263 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.912 -3.212 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.891 -4.272 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.363 -4.921 -3.689 1.00 0.00 H new ATOM 1350 N TYR A 85 13.018 -4.455 1.037 1.00 0.00 N ATOM 1351 CA TYR A 85 13.003 -4.223 2.470 1.00 0.00 C ATOM 1352 C TYR A 85 13.189 -5.547 3.203 1.00 0.00 C ATOM 1353 O TYR A 85 13.797 -5.604 4.270 1.00 0.00 O ATOM 1354 CB TYR A 85 11.673 -3.576 2.865 1.00 0.00 C ATOM 1355 CG TYR A 85 11.632 -3.035 4.275 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.489 -3.886 5.362 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.725 -1.672 4.517 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.442 -3.394 6.651 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.677 -1.171 5.802 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.536 -2.035 6.866 1.00 0.00 C ATOM 1361 OH TYR A 85 11.488 -1.541 8.150 1.00 0.00 O ATOM 0 H TYR A 85 12.135 -4.248 0.570 1.00 0.00 H new ATOM 0 HA TYR A 85 13.818 -3.553 2.745 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.459 -2.763 2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.877 -4.312 2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.413 -4.951 5.197 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.837 -0.992 3.686 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.332 -4.070 7.486 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.750 -0.107 5.973 1.00 0.00 H new ATOM 0 HH TYR A 85 11.569 -0.565 8.128 1.00 0.00 H new ATOM 1371 N PHE A 86 12.660 -6.614 2.603 1.00 0.00 N ATOM 1372 CA PHE A 86 12.748 -7.954 3.174 1.00 0.00 C ATOM 1373 C PHE A 86 14.045 -8.650 2.768 1.00 0.00 C ATOM 1374 O PHE A 86 14.893 -8.941 3.611 1.00 0.00 O ATOM 1375 CB PHE A 86 11.541 -8.785 2.722 1.00 0.00 C ATOM 1376 CG PHE A 86 10.297 -8.509 3.520 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.360 -8.347 4.896 1.00 0.00 C ATOM 1378 CD2 PHE A 86 9.071 -8.385 2.893 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.223 -8.061 5.624 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.931 -8.106 3.618 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.008 -7.942 4.984 1.00 0.00 C ATOM 0 H PHE A 86 12.162 -6.572 1.714 1.00 0.00 H new ATOM 0 HA PHE A 86 12.746 -7.863 4.260 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.342 -8.582 1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.788 -9.844 2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.309 -8.446 5.403 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.005 -8.508 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.285 -7.931 6.694 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.979 -8.016 3.116 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.117 -7.720 5.553 1.00 0.00 H new ATOM 1391 N LYS A 87 14.193 -8.918 1.474 1.00 0.00 N ATOM 1392 CA LYS A 87 15.387 -9.585 0.963 1.00 0.00 C ATOM 1393 C LYS A 87 16.646 -8.800 1.318 1.00 0.00 C ATOM 1394 O LYS A 87 16.615 -7.555 1.216 1.00 0.00 O ATOM 1395 CB LYS A 87 15.290 -9.759 -0.555 1.00 0.00 C ATOM 1396 CG LYS A 87 15.323 -8.447 -1.322 1.00 0.00 C ATOM 1397 CD LYS A 87 16.696 -8.185 -1.920 1.00 0.00 C ATOM 1398 CE LYS A 87 16.903 -8.972 -3.204 1.00 0.00 C ATOM 1399 NZ LYS A 87 18.223 -8.680 -3.827 1.00 0.00 N ATOM 1400 OXT LYS A 87 17.652 -9.436 1.697 1.00 0.00 O ATOM 0 H LYS A 87 13.502 -8.684 0.761 1.00 0.00 H new ATOM 0 HA LYS A 87 15.451 -10.567 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.113 -10.389 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.366 -10.286 -0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.577 -8.470 -2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.053 -7.628 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.809 -7.120 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 87 17.466 -8.455 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.830 -10.039 -2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.107 -8.732 -3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.326 -9.236 -4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.284 -7.667 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.983 -8.933 -3.164 1.00 0.00 H new