USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0672 (180deg=-0.576) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -126:sc= -0.825 (180deg=-2.97!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.542 K(o=-0.54,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 60:sc= 0.758 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= -0.884 (180deg=-2.29!) USER MOD Single : A 43 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.084) USER MOD Single : A 44 SER OG : rot 148:sc= 0.916 USER MOD Single : A 46 SER OG : rot 102:sc= 0.473 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.986! C(o=-0.99!,f=-2!) USER MOD Single : A 63 GLN : amide:sc= -0.0664 K(o=-0.066,f=-1.7!) USER MOD Single : A 67 SER OG : rot 69:sc= 1.05 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.835 USER MOD Single : A 76 THR OG1 : rot -48:sc= -1.24! USER MOD Single : A 78 GLN : amide:sc= -2.22! K(o=-2.2!,f=-1.5) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -114:sc= -1.43 (180deg=-3.62!) USER MOD Single : A 84 GLN : amide:sc= -5.4! K(o=-5.4!,f=-2) USER MOD Single : A 85 LYS NZ :NH3+ 158:sc= -0.186 (180deg=-0.932) USER MOD Single : A 90 SER OG : rot 93:sc= 1.26 USER MOD Single : A 93 ASN : amide:sc= -1.1 K(o=-1.1,f=-6!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -149:sc= -0.205 (180deg=-1.16) USER MOD Single : A 100 THR OG1 : rot 72:sc= 0.217 USER MOD Single : A 102 ASN : amide:sc= -0.0663 K(o=-0.066,f=-1.9!) USER MOD Single : B 1 PHE N :NH3+ -143:sc= 0.743 (180deg=0.148) USER MOD Single : B 5 TYR OH : rot 15:sc= -0.797 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.492 -1.660 8.630 1.00 0.73 N ATOM 2 CA MET A 1 -6.277 -2.056 9.397 1.00 0.31 C ATOM 3 C MET A 1 -5.057 -2.025 8.472 1.00 0.24 C ATOM 4 O MET A 1 -5.149 -2.321 7.298 1.00 0.21 O ATOM 5 CB MET A 1 -6.461 -3.470 9.951 1.00 0.70 C ATOM 6 CG MET A 1 -7.795 -3.556 10.695 1.00 1.55 C ATOM 7 SD MET A 1 -7.890 -5.128 11.588 1.00 2.25 S ATOM 8 CE MET A 1 -7.152 -4.560 13.141 1.00 2.89 C ATOM 0 H1 MET A 1 -8.229 -1.337 9.289 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.253 -0.889 7.974 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.844 -2.477 8.091 1.00 0.73 H new ATOM 0 HA MET A 1 -6.126 -1.360 10.222 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.438 -4.196 9.139 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.640 -3.718 10.624 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.889 -2.724 11.392 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.622 -3.476 9.990 1.00 1.55 H new ATOM 0 HE1 MET A 1 -7.113 -5.388 13.849 1.00 2.89 H new ATOM 0 HE2 MET A 1 -6.142 -4.196 12.952 1.00 2.89 H new ATOM 0 HE3 MET A 1 -7.756 -3.754 13.558 1.00 2.89 H new ATOM 20 N VAL A 2 -3.914 -1.665 8.996 1.00 0.24 N ATOM 21 CA VAL A 2 -2.679 -1.608 8.156 1.00 0.19 C ATOM 22 C VAL A 2 -1.913 -2.928 8.288 1.00 0.22 C ATOM 23 O VAL A 2 -2.243 -3.768 9.101 1.00 0.28 O ATOM 24 CB VAL A 2 -1.799 -0.448 8.639 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.578 -0.289 7.720 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.623 0.844 8.628 1.00 0.30 C ATOM 0 H VAL A 2 -3.782 -1.407 9.974 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.947 -1.452 7.111 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.451 -0.657 9.650 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.038 0.538 8.074 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.007 -1.208 7.730 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.912 -0.083 6.703 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.004 1.673 8.970 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.971 1.045 7.615 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.481 0.734 9.291 1.00 0.30 H new ATOM 36 N LYS A 3 -0.893 -3.117 7.494 1.00 0.18 N ATOM 37 CA LYS A 3 -0.103 -4.383 7.570 1.00 0.22 C ATOM 38 C LYS A 3 1.316 -4.122 7.064 1.00 0.16 C ATOM 39 O LYS A 3 1.520 -3.723 5.935 1.00 0.13 O ATOM 40 CB LYS A 3 -0.763 -5.456 6.697 1.00 0.26 C ATOM 41 CG LYS A 3 -0.111 -6.829 6.948 1.00 0.34 C ATOM 42 CD LYS A 3 -0.715 -7.491 8.193 1.00 0.81 C ATOM 43 CE LYS A 3 -0.202 -8.927 8.302 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.906 -9.623 9.416 1.00 1.97 N ATOM 0 H LYS A 3 -0.571 -2.448 6.794 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.069 -4.728 8.603 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.829 -5.507 6.917 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.667 -5.188 5.645 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.257 -7.472 6.080 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.965 -6.709 7.078 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -0.444 -6.927 9.086 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.803 -7.485 8.130 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.370 -9.457 7.364 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.873 -8.928 8.480 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.557 -10.600 9.490 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -0.724 -9.121 10.309 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.929 -9.634 9.227 1.00 1.97 H new ATOM 58 N GLN A 4 2.301 -4.342 7.893 1.00 0.18 N ATOM 59 CA GLN A 4 3.710 -4.105 7.466 1.00 0.15 C ATOM 60 C GLN A 4 4.289 -5.386 6.856 1.00 0.13 C ATOM 61 O GLN A 4 4.202 -6.456 7.425 1.00 0.14 O ATOM 62 CB GLN A 4 4.540 -3.688 8.686 1.00 0.20 C ATOM 63 CG GLN A 4 6.042 -3.769 8.363 1.00 0.21 C ATOM 64 CD GLN A 4 6.836 -2.931 9.368 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.456 -2.818 10.517 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.930 -2.335 8.981 1.00 0.98 N ATOM 0 H GLN A 4 2.190 -4.677 8.850 1.00 0.18 H new ATOM 0 HA GLN A 4 3.738 -3.313 6.717 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.279 -2.672 8.982 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.307 -4.336 9.531 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.375 -4.806 8.398 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.225 -3.409 7.351 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.249 -2.430 8.017 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.467 -1.774 9.643 1.00 0.98 H new ATOM 75 N ILE A 5 4.896 -5.267 5.704 1.00 0.10 N ATOM 76 CA ILE A 5 5.514 -6.449 5.029 1.00 0.10 C ATOM 77 C ILE A 5 7.035 -6.324 5.140 1.00 0.10 C ATOM 78 O ILE A 5 7.638 -5.471 4.521 1.00 0.11 O ATOM 79 CB ILE A 5 5.126 -6.446 3.546 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.637 -6.079 3.361 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.422 -7.811 2.920 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.710 -6.989 4.182 1.00 0.19 C ATOM 0 H ILE A 5 4.991 -4.389 5.194 1.00 0.10 H new ATOM 0 HA ILE A 5 5.169 -7.371 5.497 1.00 0.10 H new ATOM 0 HB ILE A 5 5.724 -5.688 3.039 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.481 -5.042 3.657 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.375 -6.153 2.306 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.142 -7.797 1.867 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.486 -8.029 3.010 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.849 -8.580 3.437 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.673 -6.693 4.020 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.845 -8.024 3.868 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.953 -6.896 5.241 1.00 0.19 H new ATOM 94 N GLU A 6 7.658 -7.157 5.928 1.00 0.11 N ATOM 95 CA GLU A 6 9.142 -7.076 6.086 1.00 0.14 C ATOM 96 C GLU A 6 9.812 -8.150 5.223 1.00 0.14 C ATOM 97 O GLU A 6 11.019 -8.189 5.094 1.00 0.17 O ATOM 98 CB GLU A 6 9.496 -7.305 7.555 1.00 0.18 C ATOM 99 CG GLU A 6 8.566 -6.476 8.441 1.00 0.31 C ATOM 100 CD GLU A 6 9.003 -6.606 9.901 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.073 -7.726 10.380 1.00 1.96 O ATOM 102 OE2 GLU A 6 9.260 -5.584 10.515 1.00 1.97 O ATOM 0 H GLU A 6 7.205 -7.892 6.471 1.00 0.11 H new ATOM 0 HA GLU A 6 9.493 -6.094 5.769 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.403 -8.363 7.802 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.534 -7.025 7.738 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.591 -5.430 8.135 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.537 -6.817 8.326 1.00 0.31 H new ATOM 109 N SER A 7 9.040 -9.022 4.627 1.00 0.13 N ATOM 110 CA SER A 7 9.638 -10.090 3.769 1.00 0.15 C ATOM 111 C SER A 7 8.629 -10.522 2.706 1.00 0.14 C ATOM 112 O SER A 7 7.433 -10.479 2.915 1.00 0.12 O ATOM 113 CB SER A 7 10.013 -11.288 4.636 1.00 0.20 C ATOM 114 OG SER A 7 8.835 -11.858 5.189 1.00 0.23 O ATOM 0 H SER A 7 8.023 -9.041 4.697 1.00 0.13 H new ATOM 0 HA SER A 7 10.531 -9.702 3.279 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.544 -12.030 4.040 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.688 -10.977 5.433 1.00 0.20 H new ATOM 0 HG SER A 7 9.074 -12.629 5.745 1.00 0.23 H new ATOM 120 N LYS A 8 9.104 -10.932 1.563 1.00 0.15 N ATOM 121 CA LYS A 8 8.176 -11.359 0.481 1.00 0.14 C ATOM 122 C LYS A 8 7.215 -12.423 1.019 1.00 0.14 C ATOM 123 O LYS A 8 6.116 -12.580 0.532 1.00 0.13 O ATOM 124 CB LYS A 8 8.989 -11.915 -0.698 1.00 0.17 C ATOM 125 CG LYS A 8 8.158 -11.856 -1.983 1.00 0.21 C ATOM 126 CD LYS A 8 9.025 -12.260 -3.184 1.00 0.22 C ATOM 127 CE LYS A 8 9.333 -13.765 -3.146 1.00 1.06 C ATOM 128 NZ LYS A 8 10.543 -14.006 -2.312 1.00 1.90 N ATOM 0 H LYS A 8 10.096 -10.990 1.332 1.00 0.15 H new ATOM 0 HA LYS A 8 7.593 -10.505 0.136 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.906 -11.339 -0.822 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.284 -12.944 -0.493 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.299 -12.523 -1.902 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.767 -10.849 -2.128 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.509 -12.012 -4.112 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.956 -11.692 -3.175 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.482 -14.310 -2.737 1.00 1.06 H new ATOM 0 HE3 LYS A 8 9.495 -14.139 -4.157 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 11.239 -14.550 -2.860 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 10.959 -13.095 -2.032 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 10.277 -14.541 -1.461 1.00 1.90 H new ATOM 142 N THR A 9 7.612 -13.147 2.027 1.00 0.16 N ATOM 143 CA THR A 9 6.701 -14.181 2.590 1.00 0.18 C ATOM 144 C THR A 9 5.440 -13.499 3.123 1.00 0.16 C ATOM 145 O THR A 9 4.334 -13.955 2.910 1.00 0.17 O ATOM 146 CB THR A 9 7.402 -14.920 3.726 1.00 0.21 C ATOM 147 OG1 THR A 9 8.613 -15.486 3.245 1.00 0.24 O ATOM 148 CG2 THR A 9 6.490 -16.027 4.259 1.00 0.25 C ATOM 0 H THR A 9 8.521 -13.069 2.483 1.00 0.16 H new ATOM 0 HA THR A 9 6.432 -14.895 1.812 1.00 0.18 H new ATOM 0 HB THR A 9 7.625 -14.221 4.532 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.065 -15.960 3.974 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.993 -16.553 5.070 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.564 -15.588 4.630 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.263 -16.729 3.457 1.00 0.25 H new ATOM 156 N ALA A 10 5.603 -12.402 3.811 1.00 0.16 N ATOM 157 CA ALA A 10 4.425 -11.673 4.361 1.00 0.17 C ATOM 158 C ALA A 10 3.647 -11.012 3.216 1.00 0.15 C ATOM 159 O ALA A 10 2.470 -10.736 3.334 1.00 0.17 O ATOM 160 CB ALA A 10 4.910 -10.605 5.347 1.00 0.20 C ATOM 0 H ALA A 10 6.507 -11.977 4.017 1.00 0.16 H new ATOM 0 HA ALA A 10 3.768 -12.373 4.878 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.053 -10.068 5.753 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.457 -11.082 6.160 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.566 -9.904 4.831 1.00 0.20 H new ATOM 166 N PHE A 11 4.295 -10.753 2.111 1.00 0.12 N ATOM 167 CA PHE A 11 3.586 -10.106 0.969 1.00 0.11 C ATOM 168 C PHE A 11 2.422 -10.985 0.516 1.00 0.13 C ATOM 169 O PHE A 11 1.273 -10.624 0.658 1.00 0.16 O ATOM 170 CB PHE A 11 4.557 -9.904 -0.200 1.00 0.10 C ATOM 171 CG PHE A 11 3.839 -9.227 -1.349 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.423 -7.889 -1.224 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.603 -9.926 -2.551 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.771 -7.250 -2.294 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.949 -9.286 -3.620 1.00 0.18 C ATOM 176 CZ PHE A 11 2.533 -7.949 -3.492 1.00 0.21 C ATOM 0 H PHE A 11 5.281 -10.961 1.950 1.00 0.12 H new ATOM 0 HA PHE A 11 3.204 -9.138 1.293 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.405 -9.298 0.119 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.956 -10.865 -0.524 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.605 -7.352 -0.305 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.924 -10.952 -2.651 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.453 -6.223 -2.196 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.766 -9.822 -4.540 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.031 -7.459 -4.313 1.00 0.21 H new ATOM 186 N GLN A 12 2.708 -12.132 -0.034 1.00 0.15 N ATOM 187 CA GLN A 12 1.612 -13.022 -0.508 1.00 0.19 C ATOM 188 C GLN A 12 0.637 -13.300 0.641 1.00 0.17 C ATOM 189 O GLN A 12 -0.565 -13.278 0.463 1.00 0.16 O ATOM 190 CB GLN A 12 2.208 -14.342 -1.021 1.00 0.24 C ATOM 191 CG GLN A 12 3.363 -14.777 -0.115 1.00 1.21 C ATOM 192 CD GLN A 12 3.764 -16.214 -0.452 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.176 -16.962 0.412 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.660 -16.635 -1.683 1.00 2.47 N ATOM 0 H GLN A 12 3.652 -12.491 -0.176 1.00 0.15 H new ATOM 0 HA GLN A 12 1.073 -12.533 -1.319 1.00 0.19 H new ATOM 0 HB2 GLN A 12 1.439 -15.115 -1.042 1.00 0.24 H new ATOM 0 HB3 GLN A 12 2.563 -14.218 -2.044 1.00 0.24 H new ATOM 0 HG2 GLN A 12 4.215 -14.110 -0.248 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.064 -14.707 0.931 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.314 -16.008 -2.409 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.925 -17.591 -1.919 1.00 2.47 H new ATOM 203 N GLU A 13 1.136 -13.563 1.816 1.00 0.19 N ATOM 204 CA GLU A 13 0.228 -13.841 2.962 1.00 0.20 C ATOM 205 C GLU A 13 -0.679 -12.631 3.207 1.00 0.18 C ATOM 206 O GLU A 13 -1.835 -12.774 3.551 1.00 0.19 O ATOM 207 CB GLU A 13 1.069 -14.128 4.213 1.00 0.25 C ATOM 208 CG GLU A 13 1.593 -15.574 4.184 1.00 0.30 C ATOM 209 CD GLU A 13 0.515 -16.533 4.702 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.653 -16.258 4.480 1.00 2.03 O ATOM 211 OE2 GLU A 13 0.878 -17.525 5.312 1.00 2.10 O ATOM 0 H GLU A 13 2.132 -13.597 2.032 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.393 -14.708 2.737 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.906 -13.432 4.264 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.467 -13.970 5.108 1.00 0.25 H new ATOM 0 HG2 GLU A 13 1.876 -15.847 3.167 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.490 -15.657 4.797 1.00 0.30 H new ATOM 218 N ALA A 14 -0.171 -11.441 3.032 1.00 0.18 N ATOM 219 CA ALA A 14 -1.019 -10.237 3.257 1.00 0.18 C ATOM 220 C ALA A 14 -2.219 -10.286 2.309 1.00 0.18 C ATOM 221 O ALA A 14 -3.349 -10.077 2.703 1.00 0.19 O ATOM 222 CB ALA A 14 -0.197 -8.978 2.979 1.00 0.20 C ATOM 0 H ALA A 14 0.789 -11.252 2.745 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.369 -10.219 4.289 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.816 -8.096 3.143 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.662 -8.949 3.650 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.150 -8.991 1.946 1.00 0.20 H new ATOM 228 N LEU A 15 -1.975 -10.569 1.059 1.00 0.17 N ATOM 229 CA LEU A 15 -3.088 -10.645 0.069 1.00 0.18 C ATOM 230 C LEU A 15 -4.022 -11.801 0.442 1.00 0.18 C ATOM 231 O LEU A 15 -5.229 -11.695 0.344 1.00 0.18 O ATOM 232 CB LEU A 15 -2.508 -10.883 -1.332 1.00 0.19 C ATOM 233 CG LEU A 15 -1.250 -10.029 -1.532 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.745 -10.197 -2.968 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.581 -8.555 -1.279 1.00 0.62 C ATOM 0 H LEU A 15 -1.047 -10.752 0.678 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.648 -9.710 0.075 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.265 -11.938 -1.459 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.251 -10.633 -2.089 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.479 -10.352 -0.832 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.149 -9.591 -3.112 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.506 -11.245 -3.149 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.518 -9.875 -3.666 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.685 -7.951 -1.422 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.353 -8.230 -1.977 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.941 -8.433 -0.258 1.00 0.62 H new ATOM 247 N ASP A 16 -3.469 -12.906 0.862 1.00 0.19 N ATOM 248 CA ASP A 16 -4.317 -14.074 1.234 1.00 0.21 C ATOM 249 C ASP A 16 -5.174 -13.732 2.456 1.00 0.20 C ATOM 250 O ASP A 16 -6.343 -14.051 2.512 1.00 0.20 O ATOM 251 CB ASP A 16 -3.420 -15.270 1.559 1.00 0.24 C ATOM 252 CG ASP A 16 -4.289 -16.471 1.939 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.922 -17.022 1.053 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.306 -16.819 3.108 1.00 1.09 O ATOM 0 H ASP A 16 -2.464 -13.051 0.964 1.00 0.19 H new ATOM 0 HA ASP A 16 -4.971 -14.321 0.398 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.797 -15.516 0.699 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.747 -15.021 2.379 1.00 0.24 H new ATOM 259 N ALA A 17 -4.603 -13.095 3.442 1.00 0.22 N ATOM 260 CA ALA A 17 -5.393 -12.745 4.658 1.00 0.24 C ATOM 261 C ALA A 17 -6.225 -11.486 4.392 1.00 0.21 C ATOM 262 O ALA A 17 -7.108 -11.144 5.153 1.00 0.22 O ATOM 263 CB ALA A 17 -4.439 -12.487 5.826 1.00 0.30 C ATOM 0 H ALA A 17 -3.626 -12.802 3.459 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.060 -13.571 4.904 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.014 -12.231 6.716 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.850 -13.384 6.020 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.772 -11.662 5.576 1.00 0.30 H new ATOM 269 N ALA A 18 -5.948 -10.791 3.322 1.00 0.21 N ATOM 270 CA ALA A 18 -6.721 -9.552 3.016 1.00 0.22 C ATOM 271 C ALA A 18 -8.163 -9.913 2.647 1.00 0.21 C ATOM 272 O ALA A 18 -9.006 -9.053 2.491 1.00 0.24 O ATOM 273 CB ALA A 18 -6.061 -8.817 1.847 1.00 0.23 C ATOM 0 H ALA A 18 -5.221 -11.027 2.647 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.730 -8.908 3.895 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.624 -7.911 1.622 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.039 -8.551 2.115 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.049 -9.464 0.970 1.00 0.23 H new ATOM 279 N GLY A 19 -8.457 -11.178 2.513 1.00 0.22 N ATOM 280 CA GLY A 19 -9.847 -11.585 2.159 1.00 0.24 C ATOM 281 C GLY A 19 -10.137 -11.229 0.699 1.00 0.20 C ATOM 282 O GLY A 19 -9.513 -11.739 -0.209 1.00 0.28 O ATOM 0 H GLY A 19 -7.796 -11.946 2.633 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.972 -12.657 2.313 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.560 -11.084 2.813 1.00 0.24 H new ATOM 286 N ASP A 20 -11.087 -10.358 0.466 1.00 0.13 N ATOM 287 CA ASP A 20 -11.432 -9.965 -0.937 1.00 0.18 C ATOM 288 C ASP A 20 -11.626 -8.449 -1.007 1.00 0.15 C ATOM 289 O ASP A 20 -11.995 -7.910 -2.032 1.00 0.22 O ATOM 290 CB ASP A 20 -12.727 -10.671 -1.354 1.00 0.26 C ATOM 291 CG ASP A 20 -13.165 -10.173 -2.733 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.298 -9.910 -3.550 1.00 2.21 O ATOM 293 OD2 ASP A 20 -14.361 -10.062 -2.949 1.00 2.19 O ATOM 0 H ASP A 20 -11.641 -9.900 1.189 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.626 -10.256 -1.610 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.573 -11.750 -1.378 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.510 -10.477 -0.621 1.00 0.26 H new ATOM 298 N LYS A 21 -11.369 -7.752 0.066 1.00 0.12 N ATOM 299 CA LYS A 21 -11.529 -6.273 0.043 1.00 0.19 C ATOM 300 C LYS A 21 -10.434 -5.674 -0.836 1.00 0.15 C ATOM 301 O LYS A 21 -9.486 -6.340 -1.201 1.00 0.15 O ATOM 302 CB LYS A 21 -11.397 -5.731 1.467 1.00 0.27 C ATOM 303 CG LYS A 21 -12.678 -6.024 2.250 1.00 0.29 C ATOM 304 CD LYS A 21 -12.431 -5.792 3.744 1.00 0.30 C ATOM 305 CE LYS A 21 -13.770 -5.669 4.479 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.564 -5.921 5.934 1.00 1.90 N ATOM 0 H LYS A 21 -11.056 -8.143 0.955 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.508 -6.007 -0.355 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.542 -6.190 1.964 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.212 -4.657 1.442 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.485 -5.381 1.900 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.994 -7.053 2.079 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.853 -6.618 4.159 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.842 -4.886 3.888 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.190 -4.675 4.327 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.487 -6.383 4.073 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.473 -5.838 6.433 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.181 -6.878 6.070 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.894 -5.223 6.316 1.00 1.90 H new ATOM 320 N LEU A 22 -10.547 -4.422 -1.178 1.00 0.13 N ATOM 321 CA LEU A 22 -9.499 -3.800 -2.027 1.00 0.11 C ATOM 322 C LEU A 22 -8.175 -3.839 -1.244 1.00 0.10 C ATOM 323 O LEU A 22 -8.175 -3.999 -0.040 1.00 0.11 O ATOM 324 CB LEU A 22 -9.908 -2.343 -2.337 1.00 0.12 C ATOM 325 CG LEU A 22 -9.622 -1.964 -3.803 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.924 -0.463 -4.003 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.153 -2.248 -4.155 1.00 0.11 C ATOM 0 H LEU A 22 -11.315 -3.807 -0.908 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.381 -4.335 -2.970 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.970 -2.212 -2.129 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.368 -1.666 -1.675 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.256 -2.562 -4.458 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.724 -0.186 -5.038 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.971 -0.269 -3.771 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.290 0.127 -3.341 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.968 -1.975 -5.194 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.503 -1.662 -3.505 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.944 -3.309 -4.016 1.00 0.11 H new ATOM 339 N VAL A 23 -7.052 -3.699 -1.903 1.00 0.08 N ATOM 340 CA VAL A 23 -5.745 -3.736 -1.175 1.00 0.09 C ATOM 341 C VAL A 23 -4.752 -2.773 -1.832 1.00 0.08 C ATOM 342 O VAL A 23 -4.265 -3.019 -2.917 1.00 0.09 O ATOM 343 CB VAL A 23 -5.178 -5.158 -1.226 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.998 -5.274 -0.259 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.266 -6.157 -0.826 1.00 0.10 C ATOM 0 H VAL A 23 -6.983 -3.561 -2.911 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.904 -3.436 -0.139 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.839 -5.376 -2.239 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.595 -6.286 -0.296 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.222 -4.564 -0.545 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.335 -5.054 0.754 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.862 -7.169 -0.862 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.606 -5.938 0.186 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -7.106 -6.076 -1.516 1.00 0.10 H new ATOM 355 N VAL A 24 -4.434 -1.686 -1.169 1.00 0.08 N ATOM 356 CA VAL A 24 -3.454 -0.704 -1.734 1.00 0.08 C ATOM 357 C VAL A 24 -2.132 -0.837 -0.978 1.00 0.08 C ATOM 358 O VAL A 24 -2.102 -0.900 0.235 1.00 0.08 O ATOM 359 CB VAL A 24 -4.001 0.719 -1.586 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.172 1.679 -2.443 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.462 0.755 -2.047 1.00 0.09 C ATOM 0 H VAL A 24 -4.813 -1.436 -0.256 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.294 -0.908 -2.793 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.941 1.023 -0.541 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.562 2.691 -2.337 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.133 1.655 -2.115 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.230 1.376 -3.488 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.852 1.767 -1.942 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.521 0.450 -3.092 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.053 0.073 -1.436 1.00 0.09 H new ATOM 371 N VAL A 25 -1.040 -0.901 -1.694 1.00 0.09 N ATOM 372 CA VAL A 25 0.298 -1.053 -1.043 1.00 0.09 C ATOM 373 C VAL A 25 1.073 0.254 -1.156 1.00 0.10 C ATOM 374 O VAL A 25 1.081 0.893 -2.189 1.00 0.17 O ATOM 375 CB VAL A 25 1.082 -2.157 -1.761 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.255 -2.616 -0.891 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.157 -3.344 -2.037 1.00 0.09 C ATOM 0 H VAL A 25 -1.017 -0.854 -2.713 1.00 0.09 H new ATOM 0 HA VAL A 25 0.163 -1.310 0.008 1.00 0.09 H new ATOM 0 HB VAL A 25 1.467 -1.766 -2.703 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.807 -3.401 -1.409 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.918 -1.772 -0.699 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.877 -3.002 0.055 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.715 -4.129 -2.548 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.231 -3.729 -1.094 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.672 -3.020 -2.666 1.00 0.09 H new ATOM 387 N ASP A 26 1.735 0.647 -0.102 1.00 0.08 N ATOM 388 CA ASP A 26 2.532 1.907 -0.128 1.00 0.08 C ATOM 389 C ASP A 26 4.023 1.563 -0.140 1.00 0.08 C ATOM 390 O ASP A 26 4.618 1.305 0.888 1.00 0.09 O ATOM 391 CB ASP A 26 2.203 2.738 1.117 1.00 0.09 C ATOM 392 CG ASP A 26 3.134 3.951 1.191 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.642 4.346 0.155 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.323 4.462 2.282 1.00 0.96 O ATOM 0 H ASP A 26 1.758 0.144 0.785 1.00 0.08 H new ATOM 0 HA ASP A 26 2.287 2.481 -1.022 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.164 3.067 1.082 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.314 2.127 2.013 1.00 0.09 H new ATOM 399 N PHE A 27 4.635 1.575 -1.293 1.00 0.08 N ATOM 400 CA PHE A 27 6.092 1.270 -1.368 1.00 0.09 C ATOM 401 C PHE A 27 6.850 2.563 -1.086 1.00 0.11 C ATOM 402 O PHE A 27 7.271 3.255 -1.991 1.00 0.13 O ATOM 403 CB PHE A 27 6.442 0.795 -2.780 1.00 0.10 C ATOM 404 CG PHE A 27 6.018 -0.643 -2.985 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.698 -0.947 -3.366 1.00 0.19 C ATOM 406 CD2 PHE A 27 6.955 -1.678 -2.819 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.318 -2.287 -3.579 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.576 -3.014 -3.034 1.00 0.21 C ATOM 409 CZ PHE A 27 5.258 -3.319 -3.413 1.00 0.23 C ATOM 0 H PHE A 27 4.189 1.783 -2.186 1.00 0.08 H new ATOM 0 HA PHE A 27 6.355 0.494 -0.649 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.950 1.432 -3.515 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.515 0.889 -2.944 1.00 0.10 H new ATOM 0 HD1 PHE A 27 3.977 -0.154 -3.495 1.00 0.19 H new ATOM 0 HD2 PHE A 27 7.968 -1.446 -2.526 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.305 -2.521 -3.870 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.298 -3.807 -2.908 1.00 0.21 H new ATOM 0 HZ PHE A 27 4.967 -4.346 -3.577 1.00 0.23 H new ATOM 419 N SER A 28 7.011 2.901 0.165 1.00 0.11 N ATOM 420 CA SER A 28 7.721 4.163 0.531 1.00 0.12 C ATOM 421 C SER A 28 9.065 3.823 1.175 1.00 0.10 C ATOM 422 O SER A 28 9.562 2.721 1.059 1.00 0.11 O ATOM 423 CB SER A 28 6.850 4.938 1.526 1.00 0.17 C ATOM 424 OG SER A 28 5.765 5.538 0.830 1.00 1.03 O ATOM 0 H SER A 28 6.678 2.352 0.957 1.00 0.11 H new ATOM 0 HA SER A 28 7.898 4.768 -0.358 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.475 4.267 2.299 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.443 5.703 2.028 1.00 0.17 H new ATOM 0 HG SER A 28 5.231 4.842 0.394 1.00 1.03 H new ATOM 430 N ALA A 29 9.647 4.768 1.858 1.00 0.10 N ATOM 431 CA ALA A 29 10.959 4.531 2.531 1.00 0.15 C ATOM 432 C ALA A 29 10.931 5.222 3.897 1.00 0.18 C ATOM 433 O ALA A 29 10.716 6.414 4.003 1.00 0.26 O ATOM 434 CB ALA A 29 12.085 5.111 1.665 1.00 0.19 C ATOM 0 H ALA A 29 9.267 5.706 1.981 1.00 0.10 H new ATOM 0 HA ALA A 29 11.135 3.464 2.664 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.044 4.940 2.153 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.082 4.624 0.690 1.00 0.19 H new ATOM 0 HB3 ALA A 29 11.930 6.182 1.536 1.00 0.19 H new ATOM 440 N THR A 30 11.115 4.468 4.944 1.00 0.18 N ATOM 441 CA THR A 30 11.068 5.056 6.315 1.00 0.23 C ATOM 442 C THR A 30 12.198 6.072 6.510 1.00 0.26 C ATOM 443 O THR A 30 12.097 6.972 7.320 1.00 0.31 O ATOM 444 CB THR A 30 11.209 3.930 7.345 1.00 0.26 C ATOM 445 OG1 THR A 30 10.998 4.454 8.649 1.00 0.32 O ATOM 446 CG2 THR A 30 12.610 3.319 7.259 1.00 0.28 C ATOM 0 H THR A 30 11.297 3.465 4.911 1.00 0.18 H new ATOM 0 HA THR A 30 10.116 5.571 6.447 1.00 0.23 H new ATOM 0 HB THR A 30 10.469 3.157 7.137 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.086 3.735 9.309 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.704 2.519 7.994 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.770 2.914 6.260 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.355 4.088 7.462 1.00 0.28 H new ATOM 454 N TRP A 31 13.279 5.933 5.792 1.00 0.26 N ATOM 455 CA TRP A 31 14.417 6.888 5.959 1.00 0.32 C ATOM 456 C TRP A 31 14.256 8.079 5.014 1.00 0.32 C ATOM 457 O TRP A 31 14.926 9.084 5.152 1.00 0.36 O ATOM 458 CB TRP A 31 15.726 6.167 5.636 1.00 0.34 C ATOM 459 CG TRP A 31 15.776 5.838 4.179 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.346 4.681 3.630 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.262 6.660 3.080 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.568 4.724 2.264 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.122 5.926 1.873 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.815 7.957 3.014 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.516 6.463 0.640 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.209 8.502 1.776 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.061 7.756 0.591 1.00 0.40 C ATOM 0 H TRP A 31 13.426 5.201 5.097 1.00 0.26 H new ATOM 0 HA TRP A 31 14.428 7.250 6.987 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.574 6.796 5.906 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.805 5.255 6.227 1.00 0.34 H new ATOM 0 HD1 TRP A 31 14.902 3.857 4.169 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.349 3.960 1.624 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.937 8.535 3.918 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.401 5.886 -0.266 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.627 9.497 1.736 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.367 8.178 -0.355 1.00 0.40 H new ATOM 478 N CYS A 32 13.391 7.969 4.043 1.00 0.28 N ATOM 479 CA CYS A 32 13.208 9.088 3.072 1.00 0.30 C ATOM 480 C CYS A 32 12.041 9.976 3.514 1.00 0.31 C ATOM 481 O CYS A 32 10.935 9.518 3.725 1.00 0.29 O ATOM 482 CB CYS A 32 12.938 8.493 1.685 1.00 0.28 C ATOM 483 SG CYS A 32 13.536 9.629 0.407 1.00 0.32 S ATOM 0 H CYS A 32 12.802 7.152 3.879 1.00 0.28 H new ATOM 0 HA CYS A 32 14.107 9.703 3.034 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.436 7.528 1.589 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.870 8.315 1.556 1.00 0.28 H new ATOM 488 N GLY A 33 12.295 11.247 3.657 1.00 0.34 N ATOM 489 CA GLY A 33 11.230 12.191 4.090 1.00 0.36 C ATOM 490 C GLY A 33 10.095 12.261 3.056 1.00 0.35 C ATOM 491 O GLY A 33 8.960 12.004 3.393 1.00 0.33 O ATOM 0 H GLY A 33 13.206 11.675 3.490 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.829 11.874 5.053 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.657 13.184 4.233 1.00 0.36 H new ATOM 495 N PRO A 34 10.418 12.634 1.834 1.00 0.37 N ATOM 496 CA PRO A 34 9.405 12.778 0.766 1.00 0.38 C ATOM 497 C PRO A 34 8.476 11.561 0.709 1.00 0.35 C ATOM 498 O PRO A 34 7.302 11.685 0.424 1.00 0.36 O ATOM 499 CB PRO A 34 10.228 12.931 -0.531 1.00 0.42 C ATOM 500 CG PRO A 34 11.686 13.255 -0.102 1.00 0.44 C ATOM 501 CD PRO A 34 11.803 12.928 1.404 1.00 0.40 C ATOM 0 HA PRO A 34 8.747 13.631 0.933 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.193 12.015 -1.121 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.822 13.728 -1.155 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.397 12.665 -0.680 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.917 14.304 -0.287 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.460 12.075 1.574 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.220 13.767 1.960 1.00 0.40 H new ATOM 509 N ALA A 35 8.979 10.391 0.976 1.00 0.33 N ATOM 510 CA ALA A 35 8.103 9.188 0.932 1.00 0.32 C ATOM 511 C ALA A 35 7.235 9.160 2.194 1.00 0.39 C ATOM 512 O ALA A 35 6.022 9.195 2.131 1.00 0.81 O ATOM 513 CB ALA A 35 8.975 7.927 0.864 1.00 0.36 C ATOM 0 H ALA A 35 9.953 10.215 1.222 1.00 0.33 H new ATOM 0 HA ALA A 35 7.461 9.223 0.052 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.336 7.044 0.832 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.594 7.960 -0.033 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.615 7.879 1.745 1.00 0.36 H new ATOM 519 N LYS A 36 7.854 9.103 3.338 1.00 0.30 N ATOM 520 CA LYS A 36 7.085 9.078 4.614 1.00 0.28 C ATOM 521 C LYS A 36 6.232 10.346 4.739 1.00 0.24 C ATOM 522 O LYS A 36 5.299 10.398 5.515 1.00 0.25 O ATOM 523 CB LYS A 36 8.076 9.005 5.782 1.00 0.35 C ATOM 524 CG LYS A 36 7.334 9.145 7.115 1.00 0.38 C ATOM 525 CD LYS A 36 8.276 8.781 8.266 1.00 0.49 C ATOM 526 CE LYS A 36 7.602 9.100 9.602 1.00 1.22 C ATOM 527 NZ LYS A 36 8.529 8.764 10.720 1.00 1.92 N ATOM 0 H LYS A 36 8.868 9.072 3.446 1.00 0.30 H new ATOM 0 HA LYS A 36 6.425 8.211 4.628 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.613 8.057 5.754 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.820 9.796 5.687 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.972 10.166 7.236 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.460 8.494 7.127 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.531 7.722 8.220 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.209 9.338 8.176 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.334 10.156 9.643 1.00 1.22 H new ATOM 0 HE3 LYS A 36 6.677 8.532 9.699 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.071 8.981 11.628 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.764 7.752 10.684 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.400 9.325 10.629 1.00 1.92 H new ATOM 541 N MET A 37 6.551 11.372 4.000 1.00 0.23 N ATOM 542 CA MET A 37 5.763 12.634 4.104 1.00 0.24 C ATOM 543 C MET A 37 4.295 12.366 3.763 1.00 0.20 C ATOM 544 O MET A 37 3.419 13.123 4.132 1.00 0.20 O ATOM 545 CB MET A 37 6.328 13.683 3.133 1.00 0.29 C ATOM 546 CG MET A 37 5.799 15.077 3.495 1.00 1.31 C ATOM 547 SD MET A 37 6.787 15.761 4.849 1.00 2.12 S ATOM 548 CE MET A 37 6.453 17.507 4.511 1.00 3.13 C ATOM 0 H MET A 37 7.320 11.392 3.331 1.00 0.23 H new ATOM 0 HA MET A 37 5.833 13.008 5.125 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.417 13.677 3.173 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.045 13.433 2.110 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.848 15.734 2.626 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.751 15.016 3.789 1.00 1.31 H new ATOM 0 HE1 MET A 37 6.975 18.125 5.242 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.802 17.757 3.509 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.381 17.692 4.579 1.00 3.13 H new ATOM 558 N ILE A 38 4.018 11.309 3.042 1.00 0.18 N ATOM 559 CA ILE A 38 2.604 11.017 2.650 1.00 0.15 C ATOM 560 C ILE A 38 1.966 10.015 3.618 1.00 0.16 C ATOM 561 O ILE A 38 0.874 9.535 3.389 1.00 0.16 O ATOM 562 CB ILE A 38 2.589 10.434 1.230 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.645 11.157 0.385 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.200 10.633 0.597 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.488 10.770 -1.089 1.00 0.28 C ATOM 0 H ILE A 38 4.708 10.636 2.708 1.00 0.18 H new ATOM 0 HA ILE A 38 2.031 11.943 2.685 1.00 0.15 H new ATOM 0 HB ILE A 38 2.811 9.368 1.270 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.539 12.236 0.500 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.644 10.896 0.734 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.196 10.217 -0.411 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.448 10.126 1.202 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.970 11.698 0.551 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.241 11.287 -1.683 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.616 9.693 -1.198 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.494 11.054 -1.436 1.00 0.28 H new ATOM 577 N LYS A 39 2.617 9.683 4.702 1.00 0.19 N ATOM 578 CA LYS A 39 1.988 8.710 5.636 1.00 0.22 C ATOM 579 C LYS A 39 0.739 9.294 6.338 1.00 0.20 C ATOM 580 O LYS A 39 -0.163 8.546 6.645 1.00 0.21 O ATOM 581 CB LYS A 39 3.009 8.140 6.654 1.00 0.31 C ATOM 582 CG LYS A 39 3.272 9.080 7.853 1.00 0.34 C ATOM 583 CD LYS A 39 3.816 8.263 9.043 1.00 0.45 C ATOM 584 CE LYS A 39 2.741 7.288 9.575 1.00 1.16 C ATOM 585 NZ LYS A 39 3.004 5.925 9.025 1.00 1.62 N ATOM 0 H LYS A 39 3.535 10.035 4.975 1.00 0.19 H new ATOM 0 HA LYS A 39 1.643 7.874 5.028 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.644 7.183 7.026 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.951 7.945 6.142 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.988 9.852 7.572 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.351 9.588 8.139 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.699 7.704 8.733 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.129 8.937 9.840 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.761 7.264 10.665 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.747 7.627 9.282 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.138 5.556 8.584 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.760 5.978 8.313 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.298 5.291 9.795 1.00 1.62 H new ATOM 599 N PRO A 40 0.683 10.586 6.606 1.00 0.20 N ATOM 600 CA PRO A 40 -0.489 11.142 7.303 1.00 0.21 C ATOM 601 C PRO A 40 -1.744 10.947 6.444 1.00 0.17 C ATOM 602 O PRO A 40 -2.845 11.219 6.875 1.00 0.20 O ATOM 603 CB PRO A 40 -0.155 12.631 7.528 1.00 0.24 C ATOM 604 CG PRO A 40 1.291 12.862 7.011 1.00 0.25 C ATOM 605 CD PRO A 40 1.712 11.591 6.253 1.00 0.21 C ATOM 0 HA PRO A 40 -0.696 10.649 8.253 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.860 13.268 6.995 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.231 12.887 8.585 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.331 13.732 6.355 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.970 13.057 7.841 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.745 11.764 5.177 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.707 11.262 6.553 1.00 0.21 H new ATOM 613 N PHE A 41 -1.579 10.465 5.235 1.00 0.14 N ATOM 614 CA PHE A 41 -2.754 10.225 4.336 1.00 0.14 C ATOM 615 C PHE A 41 -2.956 8.717 4.168 1.00 0.11 C ATOM 616 O PHE A 41 -3.837 8.133 4.759 1.00 0.13 O ATOM 617 CB PHE A 41 -2.489 10.853 2.961 1.00 0.15 C ATOM 618 CG PHE A 41 -2.709 12.344 3.043 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.690 13.176 3.539 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.936 12.898 2.635 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.896 14.564 3.626 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.144 14.287 2.722 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.123 15.121 3.219 1.00 0.27 C ATOM 0 H PHE A 41 -0.674 10.226 4.829 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.645 10.674 4.775 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.468 10.641 2.642 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.153 10.416 2.215 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.749 12.749 3.853 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.718 12.257 2.255 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.112 15.203 4.005 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.085 14.713 2.408 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.282 16.187 3.288 1.00 0.27 H new ATOM 633 N PHE A 42 -2.143 8.092 3.360 1.00 0.10 N ATOM 634 CA PHE A 42 -2.274 6.623 3.124 1.00 0.11 C ATOM 635 C PHE A 42 -2.541 5.881 4.442 1.00 0.11 C ATOM 636 O PHE A 42 -3.516 5.168 4.572 1.00 0.12 O ATOM 637 CB PHE A 42 -0.976 6.114 2.493 1.00 0.13 C ATOM 638 CG PHE A 42 -1.030 4.613 2.336 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.687 4.053 1.229 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.411 3.778 3.285 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.724 2.659 1.067 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.452 2.380 3.124 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.109 1.820 2.014 1.00 0.10 C ATOM 0 H PHE A 42 -1.384 8.541 2.847 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.116 6.438 2.457 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.826 6.584 1.521 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.126 6.392 3.116 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.164 4.694 0.502 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.095 4.209 4.136 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.226 2.229 0.213 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.021 1.738 3.853 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.141 0.748 1.889 1.00 0.10 H new ATOM 653 N HIS A 43 -1.693 6.043 5.419 1.00 0.14 N ATOM 654 CA HIS A 43 -1.915 5.343 6.720 1.00 0.16 C ATOM 655 C HIS A 43 -3.166 5.908 7.410 1.00 0.16 C ATOM 656 O HIS A 43 -3.869 5.199 8.102 1.00 0.18 O ATOM 657 CB HIS A 43 -0.654 5.499 7.602 1.00 0.21 C ATOM 658 CG HIS A 43 -0.996 5.449 9.069 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.892 4.288 9.818 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.469 6.412 9.929 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.296 4.575 11.069 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.660 5.856 11.192 1.00 0.39 N ATOM 0 H HIS A 43 -0.858 6.627 5.376 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.085 4.280 6.551 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.057 4.707 7.366 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.164 6.445 7.374 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.663 7.441 9.666 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.323 3.858 11.876 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.004 6.325 12.030 1.00 0.39 H new ATOM 670 N SER A 44 -3.456 7.167 7.232 1.00 0.20 N ATOM 671 CA SER A 44 -4.667 7.744 7.887 1.00 0.25 C ATOM 672 C SER A 44 -5.936 7.081 7.330 1.00 0.20 C ATOM 673 O SER A 44 -6.856 6.778 8.064 1.00 0.21 O ATOM 674 CB SER A 44 -4.719 9.253 7.638 1.00 0.34 C ATOM 675 OG SER A 44 -3.836 9.901 8.542 1.00 0.97 O ATOM 0 H SER A 44 -2.912 7.819 6.666 1.00 0.20 H new ATOM 0 HA SER A 44 -4.613 7.557 8.959 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.435 9.475 6.609 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.735 9.622 7.774 1.00 0.34 H new ATOM 0 HG SER A 44 -3.466 10.704 8.119 1.00 0.97 H new ATOM 681 N LEU A 45 -6.005 6.862 6.041 1.00 0.18 N ATOM 682 CA LEU A 45 -7.230 6.232 5.459 1.00 0.18 C ATOM 683 C LEU A 45 -7.583 4.964 6.243 1.00 0.16 C ATOM 684 O LEU A 45 -8.671 4.437 6.124 1.00 0.23 O ATOM 685 CB LEU A 45 -6.989 5.857 3.989 1.00 0.19 C ATOM 686 CG LEU A 45 -6.556 7.083 3.167 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.533 6.702 1.683 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.538 8.246 3.380 1.00 0.50 C ATOM 0 H LEU A 45 -5.271 7.090 5.370 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.050 6.947 5.521 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.221 5.086 3.929 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.900 5.434 3.565 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.564 7.399 3.491 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.227 7.564 1.091 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.827 5.886 1.528 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.529 6.384 1.374 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.217 9.106 2.791 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.536 7.942 3.064 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.558 8.516 4.436 1.00 0.50 H new ATOM 700 N SER A 46 -6.678 4.469 7.038 1.00 0.20 N ATOM 701 CA SER A 46 -6.976 3.236 7.821 1.00 0.25 C ATOM 702 C SER A 46 -8.206 3.469 8.703 1.00 0.17 C ATOM 703 O SER A 46 -8.928 2.546 9.028 1.00 0.15 O ATOM 704 CB SER A 46 -5.778 2.889 8.704 1.00 0.36 C ATOM 705 OG SER A 46 -4.611 2.796 7.898 1.00 0.51 O ATOM 0 H SER A 46 -5.748 4.862 7.180 1.00 0.20 H new ATOM 0 HA SER A 46 -7.174 2.413 7.134 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.644 3.652 9.471 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.953 1.945 9.220 1.00 0.36 H new ATOM 0 HG SER A 46 -4.079 3.613 7.997 1.00 0.51 H new ATOM 711 N GLU A 47 -8.443 4.691 9.107 1.00 0.21 N ATOM 712 CA GLU A 47 -9.617 4.987 9.985 1.00 0.21 C ATOM 713 C GLU A 47 -10.798 5.484 9.149 1.00 0.18 C ATOM 714 O GLU A 47 -11.938 5.380 9.555 1.00 0.18 O ATOM 715 CB GLU A 47 -9.231 6.069 10.995 1.00 0.32 C ATOM 716 CG GLU A 47 -7.922 5.687 11.688 1.00 0.39 C ATOM 717 CD GLU A 47 -8.110 4.369 12.443 1.00 1.24 C ATOM 718 OE1 GLU A 47 -9.156 4.199 13.047 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.203 3.553 12.404 1.00 2.00 O ATOM 0 H GLU A 47 -7.871 5.501 8.866 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.908 4.073 10.503 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.119 7.028 10.489 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.023 6.189 11.734 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.124 5.586 10.952 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.621 6.474 12.379 1.00 0.39 H new ATOM 726 N LYS A 48 -10.543 6.038 7.992 1.00 0.18 N ATOM 727 CA LYS A 48 -11.666 6.549 7.149 1.00 0.17 C ATOM 728 C LYS A 48 -12.162 5.438 6.224 1.00 0.15 C ATOM 729 O LYS A 48 -13.265 5.488 5.718 1.00 0.18 O ATOM 730 CB LYS A 48 -11.176 7.736 6.310 1.00 0.21 C ATOM 731 CG LYS A 48 -12.361 8.379 5.569 1.00 0.26 C ATOM 732 CD LYS A 48 -12.000 9.808 5.149 1.00 1.09 C ATOM 733 CE LYS A 48 -10.737 9.794 4.284 1.00 1.51 C ATOM 734 NZ LYS A 48 -10.612 11.098 3.575 1.00 2.16 N ATOM 0 H LYS A 48 -9.611 6.159 7.596 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.484 6.872 7.793 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.695 8.473 6.953 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.426 7.401 5.593 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.617 7.786 4.691 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.240 8.391 6.213 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -12.826 10.253 4.594 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.839 10.426 6.032 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -9.859 9.619 4.905 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -10.785 8.978 3.563 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -9.755 11.092 2.986 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.446 11.246 2.971 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -10.548 11.867 4.272 1.00 2.16 H new ATOM 748 N TYR A 49 -11.355 4.429 6.007 1.00 0.13 N ATOM 749 CA TYR A 49 -11.768 3.295 5.124 1.00 0.13 C ATOM 750 C TYR A 49 -11.427 1.974 5.815 1.00 0.11 C ATOM 751 O TYR A 49 -10.576 1.229 5.371 1.00 0.11 O ATOM 752 CB TYR A 49 -11.025 3.393 3.784 1.00 0.15 C ATOM 753 CG TYR A 49 -11.712 4.413 2.905 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.943 4.094 2.306 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.132 5.678 2.693 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.595 5.035 1.493 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.784 6.622 1.881 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.016 6.301 1.280 1.00 0.21 C ATOM 759 OH TYR A 49 -13.657 7.227 0.483 1.00 0.24 O ATOM 0 H TYR A 49 -10.421 4.342 6.407 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.841 3.340 4.939 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.987 3.680 3.951 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.011 2.421 3.291 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.388 3.124 2.471 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.187 5.923 3.154 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.540 4.788 1.031 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.340 7.593 1.718 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.124 8.048 0.442 1.00 0.24 H new ATOM 769 N SER A 50 -12.091 1.680 6.897 1.00 0.12 N ATOM 770 CA SER A 50 -11.816 0.408 7.621 1.00 0.13 C ATOM 771 C SER A 50 -12.262 -0.771 6.754 1.00 0.13 C ATOM 772 O SER A 50 -12.059 -1.919 7.095 1.00 0.14 O ATOM 773 CB SER A 50 -12.588 0.397 8.940 1.00 0.16 C ATOM 774 OG SER A 50 -13.979 0.506 8.672 1.00 0.17 O ATOM 0 H SER A 50 -12.814 2.267 7.312 1.00 0.12 H new ATOM 0 HA SER A 50 -10.749 0.325 7.827 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.383 -0.523 9.487 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.262 1.223 9.572 1.00 0.16 H new ATOM 0 HG SER A 50 -14.476 0.497 9.516 1.00 0.17 H new ATOM 780 N ASN A 51 -12.873 -0.492 5.631 1.00 0.13 N ATOM 781 CA ASN A 51 -13.341 -1.585 4.730 1.00 0.15 C ATOM 782 C ASN A 51 -12.275 -1.855 3.668 1.00 0.13 C ATOM 783 O ASN A 51 -12.425 -2.726 2.835 1.00 0.14 O ATOM 784 CB ASN A 51 -14.639 -1.151 4.045 1.00 0.17 C ATOM 785 CG ASN A 51 -15.211 -2.324 3.246 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.722 -2.646 2.182 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.236 -2.980 3.718 1.00 0.32 N ATOM 0 H ASN A 51 -13.068 0.452 5.299 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.517 -2.491 5.311 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.362 -0.817 4.790 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.449 -0.305 3.384 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.626 -3.763 3.193 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.647 -2.710 4.612 1.00 0.32 H new ATOM 794 N VAL A 52 -11.198 -1.111 3.700 1.00 0.11 N ATOM 795 CA VAL A 52 -10.100 -1.307 2.703 1.00 0.10 C ATOM 796 C VAL A 52 -8.837 -1.764 3.429 1.00 0.10 C ATOM 797 O VAL A 52 -8.582 -1.378 4.553 1.00 0.11 O ATOM 798 CB VAL A 52 -9.815 0.017 1.996 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.669 -0.171 0.994 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.080 0.481 1.263 1.00 0.12 C ATOM 0 H VAL A 52 -11.031 -0.369 4.380 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.401 -2.058 1.973 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.525 0.770 2.729 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.467 0.774 0.491 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.774 -0.499 1.522 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.951 -0.922 0.256 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.881 1.426 0.757 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.371 -0.270 0.529 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.888 0.617 1.982 1.00 0.12 H new ATOM 810 N ILE A 53 -8.050 -2.595 2.797 1.00 0.09 N ATOM 811 CA ILE A 53 -6.801 -3.099 3.444 1.00 0.09 C ATOM 812 C ILE A 53 -5.603 -2.280 2.945 1.00 0.09 C ATOM 813 O ILE A 53 -5.415 -2.106 1.758 1.00 0.14 O ATOM 814 CB ILE A 53 -6.598 -4.571 3.063 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.942 -5.322 3.115 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.572 -5.227 4.000 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.672 -5.074 4.442 1.00 0.17 C ATOM 0 H ILE A 53 -8.219 -2.948 1.855 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.884 -3.004 4.527 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.213 -4.623 2.045 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.572 -5.001 2.286 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.768 -6.391 2.988 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.438 -6.271 3.718 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.619 -4.704 3.919 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.930 -5.172 5.028 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.616 -5.618 4.445 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.051 -5.419 5.269 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.868 -4.008 4.556 1.00 0.17 H new ATOM 829 N PHE A 54 -4.791 -1.786 3.846 1.00 0.08 N ATOM 830 CA PHE A 54 -3.591 -0.982 3.446 1.00 0.08 C ATOM 831 C PHE A 54 -2.321 -1.727 3.867 1.00 0.08 C ATOM 832 O PHE A 54 -2.200 -2.178 4.989 1.00 0.11 O ATOM 833 CB PHE A 54 -3.636 0.377 4.146 1.00 0.08 C ATOM 834 CG PHE A 54 -4.880 1.121 3.714 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.979 1.614 2.399 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.939 1.323 4.621 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.135 2.306 1.991 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.093 2.015 4.213 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.191 2.508 2.898 1.00 0.09 C ATOM 0 H PHE A 54 -4.908 -1.906 4.852 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.590 -0.837 2.366 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.636 0.242 5.228 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.747 0.957 3.897 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.168 1.461 1.703 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.864 0.946 5.630 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.211 2.682 0.981 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.905 2.168 4.909 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.077 3.041 2.586 1.00 0.09 H new ATOM 849 N LEU A 55 -1.376 -1.861 2.969 1.00 0.08 N ATOM 850 CA LEU A 55 -0.097 -2.577 3.287 1.00 0.09 C ATOM 851 C LEU A 55 1.055 -1.565 3.278 1.00 0.09 C ATOM 852 O LEU A 55 0.891 -0.427 2.886 1.00 0.10 O ATOM 853 CB LEU A 55 0.172 -3.653 2.216 1.00 0.10 C ATOM 854 CG LEU A 55 -0.625 -4.935 2.502 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.102 -4.610 2.762 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.513 -5.869 1.290 1.00 0.12 C ATOM 0 H LEU A 55 -1.436 -1.501 2.017 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.175 -3.049 4.267 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.097 -3.266 1.233 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.237 -3.883 2.187 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.217 -5.417 3.390 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.648 -5.532 2.962 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.182 -3.946 3.623 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.527 -4.120 1.886 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.075 -6.783 1.482 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.918 -5.372 0.409 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.534 -6.117 1.117 1.00 0.12 H new ATOM 868 N GLU A 56 2.223 -1.979 3.697 1.00 0.09 N ATOM 869 CA GLU A 56 3.400 -1.057 3.709 1.00 0.09 C ATOM 870 C GLU A 56 4.653 -1.861 3.355 1.00 0.09 C ATOM 871 O GLU A 56 4.768 -3.020 3.701 1.00 0.10 O ATOM 872 CB GLU A 56 3.551 -0.434 5.105 1.00 0.09 C ATOM 873 CG GLU A 56 4.450 0.805 5.030 1.00 0.11 C ATOM 874 CD GLU A 56 4.443 1.522 6.381 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.270 0.851 7.385 1.00 1.31 O ATOM 876 OE2 GLU A 56 4.609 2.731 6.389 1.00 1.24 O ATOM 0 H GLU A 56 2.414 -2.923 4.034 1.00 0.09 H new ATOM 0 HA GLU A 56 3.259 -0.257 2.982 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.572 -0.160 5.498 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.979 -1.163 5.794 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.467 0.514 4.766 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.097 1.477 4.248 1.00 0.11 H new ATOM 883 N VAL A 57 5.584 -1.269 2.645 1.00 0.08 N ATOM 884 CA VAL A 57 6.819 -2.019 2.245 1.00 0.08 C ATOM 885 C VAL A 57 8.054 -1.116 2.364 1.00 0.09 C ATOM 886 O VAL A 57 8.037 0.040 1.981 1.00 0.14 O ATOM 887 CB VAL A 57 6.672 -2.484 0.783 1.00 0.09 C ATOM 888 CG1 VAL A 57 8.025 -2.975 0.248 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.658 -3.628 0.698 1.00 0.09 C ATOM 0 H VAL A 57 5.543 -0.301 2.325 1.00 0.08 H new ATOM 0 HA VAL A 57 6.944 -2.878 2.904 1.00 0.08 H new ATOM 0 HB VAL A 57 6.326 -1.642 0.184 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.911 -3.301 -0.786 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.751 -2.163 0.294 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.375 -3.810 0.855 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.560 -3.951 -0.338 1.00 0.09 H new ATOM 0 HG22 VAL A 57 6.001 -4.464 1.308 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.690 -3.285 1.064 1.00 0.09 H new ATOM 899 N ASP A 58 9.142 -1.662 2.853 1.00 0.09 N ATOM 900 CA ASP A 58 10.413 -0.881 2.961 1.00 0.09 C ATOM 901 C ASP A 58 11.266 -1.220 1.733 1.00 0.10 C ATOM 902 O ASP A 58 11.931 -2.235 1.689 1.00 0.11 O ATOM 903 CB ASP A 58 11.155 -1.285 4.246 1.00 0.11 C ATOM 904 CG ASP A 58 12.162 -0.199 4.641 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.782 0.692 5.383 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.298 -0.282 4.204 1.00 1.06 O ATOM 0 H ASP A 58 9.203 -2.625 3.185 1.00 0.09 H new ATOM 0 HA ASP A 58 10.212 0.190 3.001 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.440 -1.439 5.054 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.672 -2.232 4.093 1.00 0.11 H new ATOM 911 N VAL A 59 11.223 -0.399 0.724 1.00 0.12 N ATOM 912 CA VAL A 59 11.997 -0.693 -0.520 1.00 0.15 C ATOM 913 C VAL A 59 13.483 -0.884 -0.215 1.00 0.18 C ATOM 914 O VAL A 59 14.232 -1.328 -1.059 1.00 0.27 O ATOM 915 CB VAL A 59 11.833 0.468 -1.503 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.374 0.556 -1.949 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.238 1.778 -0.824 1.00 0.22 C ATOM 0 H VAL A 59 10.684 0.467 0.703 1.00 0.12 H new ATOM 0 HA VAL A 59 11.612 -1.616 -0.953 1.00 0.15 H new ATOM 0 HB VAL A 59 12.470 0.299 -2.371 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.257 1.383 -2.649 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.086 -0.376 -2.436 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.737 0.723 -1.080 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.120 2.603 -1.526 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.604 1.948 0.046 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.279 1.717 -0.507 1.00 0.22 H new ATOM 927 N ASP A 60 13.925 -0.542 0.968 1.00 0.16 N ATOM 928 CA ASP A 60 15.381 -0.682 1.298 1.00 0.18 C ATOM 929 C ASP A 60 15.640 -1.920 2.160 1.00 0.17 C ATOM 930 O ASP A 60 16.614 -2.621 1.966 1.00 0.18 O ATOM 931 CB ASP A 60 15.830 0.560 2.061 1.00 0.21 C ATOM 932 CG ASP A 60 15.629 1.798 1.185 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.536 2.123 0.437 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.572 2.400 1.279 1.00 1.11 O ATOM 0 H ASP A 60 13.344 -0.172 1.721 1.00 0.16 H new ATOM 0 HA ASP A 60 15.940 -0.791 0.369 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.259 0.658 2.984 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.879 0.467 2.343 1.00 0.21 H new ATOM 939 N ASP A 61 14.797 -2.190 3.120 1.00 0.17 N ATOM 940 CA ASP A 61 15.017 -3.377 4.004 1.00 0.17 C ATOM 941 C ASP A 61 14.247 -4.578 3.442 1.00 0.16 C ATOM 942 O ASP A 61 14.485 -5.708 3.822 1.00 0.18 O ATOM 943 CB ASP A 61 14.536 -3.037 5.426 1.00 0.19 C ATOM 944 CG ASP A 61 14.277 -4.318 6.228 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.145 -5.175 6.234 1.00 1.12 O ATOM 946 OD2 ASP A 61 13.214 -4.419 6.819 1.00 1.07 O ATOM 0 H ASP A 61 13.964 -1.641 3.332 1.00 0.17 H new ATOM 0 HA ASP A 61 16.076 -3.631 4.041 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.285 -2.429 5.933 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.624 -2.443 5.375 1.00 0.19 H new ATOM 951 N ALA A 62 13.341 -4.339 2.529 1.00 0.16 N ATOM 952 CA ALA A 62 12.555 -5.453 1.911 1.00 0.16 C ATOM 953 C ALA A 62 12.769 -5.415 0.396 1.00 0.16 C ATOM 954 O ALA A 62 11.837 -5.481 -0.380 1.00 0.15 O ATOM 955 CB ALA A 62 11.069 -5.266 2.227 1.00 0.17 C ATOM 0 H ALA A 62 13.109 -3.409 2.180 1.00 0.16 H new ATOM 0 HA ALA A 62 12.884 -6.412 2.310 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.496 -6.077 1.777 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.923 -5.274 3.307 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.728 -4.313 1.822 1.00 0.17 H new ATOM 961 N GLN A 63 14.000 -5.295 -0.024 1.00 0.20 N ATOM 962 CA GLN A 63 14.302 -5.234 -1.483 1.00 0.22 C ATOM 963 C GLN A 63 13.732 -6.465 -2.193 1.00 0.20 C ATOM 964 O GLN A 63 13.651 -6.506 -3.405 1.00 0.20 O ATOM 965 CB GLN A 63 15.819 -5.189 -1.684 1.00 0.29 C ATOM 966 CG GLN A 63 16.427 -4.132 -0.759 1.00 0.90 C ATOM 967 CD GLN A 63 17.885 -3.887 -1.151 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.249 -4.028 -2.302 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.742 -3.522 -0.237 1.00 2.22 N ATOM 0 H GLN A 63 14.815 -5.236 0.586 1.00 0.20 H new ATOM 0 HA GLN A 63 13.845 -4.338 -1.904 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.253 -6.166 -1.472 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.052 -4.955 -2.723 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.860 -3.204 -0.828 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.369 -4.464 0.278 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.438 -3.403 0.729 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.716 -3.355 -0.489 1.00 2.22 H new ATOM 978 N ASP A 64 13.339 -7.469 -1.459 1.00 0.19 N ATOM 979 CA ASP A 64 12.783 -8.684 -2.113 1.00 0.20 C ATOM 980 C ASP A 64 11.417 -8.353 -2.711 1.00 0.17 C ATOM 981 O ASP A 64 11.078 -8.793 -3.792 1.00 0.19 O ATOM 982 CB ASP A 64 12.635 -9.798 -1.073 1.00 0.22 C ATOM 983 CG ASP A 64 12.032 -9.223 0.210 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.752 -8.549 0.929 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.861 -9.465 0.451 1.00 1.11 O ATOM 0 H ASP A 64 13.379 -7.500 -0.440 1.00 0.19 H new ATOM 0 HA ASP A 64 13.455 -9.017 -2.904 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.998 -10.591 -1.463 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.607 -10.244 -0.862 1.00 0.22 H new ATOM 990 N VAL A 65 10.633 -7.574 -2.022 1.00 0.15 N ATOM 991 CA VAL A 65 9.295 -7.209 -2.558 1.00 0.16 C ATOM 992 C VAL A 65 9.483 -6.206 -3.699 1.00 0.16 C ATOM 993 O VAL A 65 8.936 -6.358 -4.774 1.00 0.19 O ATOM 994 CB VAL A 65 8.456 -6.565 -1.449 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.993 -6.477 -1.895 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.549 -7.409 -0.176 1.00 0.18 C ATOM 0 H VAL A 65 10.861 -7.175 -1.112 1.00 0.15 H new ATOM 0 HA VAL A 65 8.784 -8.101 -2.922 1.00 0.16 H new ATOM 0 HB VAL A 65 8.836 -5.563 -1.249 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.399 -6.019 -1.105 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.924 -5.871 -2.799 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.614 -7.478 -2.100 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.951 -6.948 0.611 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.173 -8.412 -0.376 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.589 -7.468 0.146 1.00 0.18 H new ATOM 1006 N ALA A 66 10.261 -5.183 -3.467 1.00 0.16 N ATOM 1007 CA ALA A 66 10.502 -4.164 -4.526 1.00 0.18 C ATOM 1008 C ALA A 66 11.198 -4.823 -5.716 1.00 0.19 C ATOM 1009 O ALA A 66 10.979 -4.462 -6.855 1.00 0.20 O ATOM 1010 CB ALA A 66 11.396 -3.053 -3.969 1.00 0.22 C ATOM 0 H ALA A 66 10.742 -5.010 -2.584 1.00 0.16 H new ATOM 0 HA ALA A 66 9.550 -3.741 -4.847 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.573 -2.306 -4.743 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.904 -2.583 -3.117 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.348 -3.478 -3.650 1.00 0.22 H new ATOM 1016 N SER A 67 12.039 -5.789 -5.462 1.00 0.21 N ATOM 1017 CA SER A 67 12.750 -6.468 -6.579 1.00 0.26 C ATOM 1018 C SER A 67 11.728 -7.176 -7.471 1.00 0.26 C ATOM 1019 O SER A 67 11.702 -6.988 -8.672 1.00 0.29 O ATOM 1020 CB SER A 67 13.736 -7.489 -6.007 1.00 0.31 C ATOM 1021 OG SER A 67 14.852 -6.802 -5.454 1.00 1.29 O ATOM 0 H SER A 67 12.263 -6.136 -4.529 1.00 0.21 H new ATOM 0 HA SER A 67 13.297 -5.733 -7.170 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.249 -8.093 -5.241 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.066 -8.172 -6.790 1.00 0.31 H new ATOM 0 HG SER A 67 14.570 -6.312 -4.654 1.00 1.29 H new ATOM 1027 N GLU A 68 10.882 -7.985 -6.895 1.00 0.26 N ATOM 1028 CA GLU A 68 9.859 -8.699 -7.708 1.00 0.30 C ATOM 1029 C GLU A 68 8.903 -7.679 -8.333 1.00 0.31 C ATOM 1030 O GLU A 68 8.376 -7.886 -9.408 1.00 0.36 O ATOM 1031 CB GLU A 68 9.076 -9.661 -6.806 1.00 0.31 C ATOM 1032 CG GLU A 68 8.099 -10.501 -7.644 1.00 0.39 C ATOM 1033 CD GLU A 68 6.859 -9.674 -7.998 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.523 -8.784 -7.234 1.00 2.19 O ATOM 1035 OE2 GLU A 68 6.264 -9.946 -9.028 1.00 2.20 O ATOM 0 H GLU A 68 10.855 -8.182 -5.895 1.00 0.26 H new ATOM 0 HA GLU A 68 10.348 -9.265 -8.501 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.767 -10.316 -6.275 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.527 -9.098 -6.051 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.590 -10.842 -8.555 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.805 -11.392 -7.089 1.00 0.39 H new ATOM 1042 N ALA A 69 8.673 -6.578 -7.665 1.00 0.29 N ATOM 1043 CA ALA A 69 7.747 -5.543 -8.216 1.00 0.31 C ATOM 1044 C ALA A 69 8.533 -4.564 -9.095 1.00 0.29 C ATOM 1045 O ALA A 69 7.972 -3.672 -9.700 1.00 0.33 O ATOM 1046 CB ALA A 69 7.095 -4.784 -7.056 1.00 0.31 C ATOM 0 H ALA A 69 9.087 -6.351 -6.761 1.00 0.29 H new ATOM 0 HA ALA A 69 6.976 -6.024 -8.818 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.418 -4.027 -7.451 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.535 -5.482 -6.433 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.867 -4.302 -6.457 1.00 0.31 H new ATOM 1052 N GLU A 70 9.825 -4.729 -9.177 1.00 0.27 N ATOM 1053 CA GLU A 70 10.651 -3.816 -10.022 1.00 0.29 C ATOM 1054 C GLU A 70 10.271 -2.352 -9.755 1.00 0.25 C ATOM 1055 O GLU A 70 9.983 -1.601 -10.665 1.00 0.26 O ATOM 1056 CB GLU A 70 10.410 -4.142 -11.500 1.00 0.38 C ATOM 1057 CG GLU A 70 11.082 -5.473 -11.850 1.00 1.18 C ATOM 1058 CD GLU A 70 10.636 -5.920 -13.244 1.00 1.61 C ATOM 1059 OE1 GLU A 70 11.250 -5.491 -14.207 1.00 2.34 O ATOM 1060 OE2 GLU A 70 9.688 -6.684 -13.325 1.00 2.06 O ATOM 0 H GLU A 70 10.347 -5.460 -8.694 1.00 0.27 H new ATOM 0 HA GLU A 70 11.703 -3.958 -9.775 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.340 -4.200 -11.700 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.809 -3.346 -12.128 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.166 -5.364 -11.821 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.818 -6.231 -11.112 1.00 1.18 H new ATOM 1067 N VAL A 71 10.282 -1.939 -8.515 1.00 0.22 N ATOM 1068 CA VAL A 71 9.939 -0.521 -8.190 1.00 0.19 C ATOM 1069 C VAL A 71 11.166 0.359 -8.446 1.00 0.23 C ATOM 1070 O VAL A 71 12.249 0.069 -7.977 1.00 0.28 O ATOM 1071 CB VAL A 71 9.531 -0.416 -6.719 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.955 0.975 -6.451 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.467 -1.470 -6.407 1.00 0.19 C ATOM 0 H VAL A 71 10.514 -2.523 -7.711 1.00 0.22 H new ATOM 0 HA VAL A 71 9.110 -0.190 -8.816 1.00 0.19 H new ATOM 0 HB VAL A 71 10.404 -0.581 -6.088 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.663 1.052 -5.404 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.709 1.730 -6.675 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.082 1.135 -7.083 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.177 -1.395 -5.359 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.594 -1.304 -7.038 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.871 -2.464 -6.601 1.00 0.19 H new ATOM 1083 N LYS A 72 11.006 1.427 -9.193 1.00 0.24 N ATOM 1084 CA LYS A 72 12.164 2.331 -9.497 1.00 0.29 C ATOM 1085 C LYS A 72 11.857 3.754 -9.020 1.00 0.26 C ATOM 1086 O LYS A 72 12.651 4.656 -9.195 1.00 0.27 O ATOM 1087 CB LYS A 72 12.408 2.354 -11.009 1.00 0.35 C ATOM 1088 CG LYS A 72 12.557 0.922 -11.538 1.00 0.43 C ATOM 1089 CD LYS A 72 13.801 0.255 -10.926 1.00 1.16 C ATOM 1090 CE LYS A 72 14.243 -0.923 -11.800 1.00 1.66 C ATOM 1091 NZ LYS A 72 15.226 -1.758 -11.052 1.00 2.40 N ATOM 0 H LYS A 72 10.119 1.713 -9.607 1.00 0.24 H new ATOM 0 HA LYS A 72 13.050 1.959 -8.982 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.579 2.852 -11.512 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.307 2.928 -11.232 1.00 0.35 H new ATOM 0 HG2 LYS A 72 11.667 0.342 -11.293 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.640 0.935 -12.625 1.00 0.43 H new ATOM 0 HD2 LYS A 72 14.610 0.981 -10.842 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.579 -0.092 -9.917 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.379 -1.525 -12.081 1.00 1.66 H new ATOM 0 HE3 LYS A 72 14.690 -0.556 -12.724 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 15.526 -2.557 -11.646 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 16.055 -1.181 -10.805 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.784 -2.119 -10.183 1.00 2.40 H new ATOM 1105 N ALA A 73 10.718 3.969 -8.416 1.00 0.22 N ATOM 1106 CA ALA A 73 10.381 5.344 -7.928 1.00 0.20 C ATOM 1107 C ALA A 73 9.433 5.241 -6.734 1.00 0.18 C ATOM 1108 O ALA A 73 8.432 4.565 -6.798 1.00 0.16 O ATOM 1109 CB ALA A 73 9.706 6.140 -9.063 1.00 0.21 C ATOM 0 H ALA A 73 10.008 3.258 -8.239 1.00 0.22 H new ATOM 0 HA ALA A 73 11.292 5.857 -7.621 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.460 7.141 -8.709 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.386 6.212 -9.911 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.793 5.630 -9.372 1.00 0.21 H new ATOM 1115 N THR A 74 9.735 5.915 -5.652 1.00 0.18 N ATOM 1116 CA THR A 74 8.845 5.865 -4.449 1.00 0.17 C ATOM 1117 C THR A 74 8.253 7.266 -4.217 1.00 0.17 C ATOM 1118 O THR A 74 8.900 8.246 -4.530 1.00 0.19 O ATOM 1119 CB THR A 74 9.677 5.463 -3.216 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.871 6.227 -3.192 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.045 3.966 -3.251 1.00 0.19 C ATOM 0 H THR A 74 10.564 6.501 -5.549 1.00 0.18 H new ATOM 0 HA THR A 74 8.048 5.138 -4.606 1.00 0.17 H new ATOM 0 HB THR A 74 9.079 5.652 -2.325 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.404 5.977 -2.409 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.632 3.715 -2.367 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.134 3.368 -3.264 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.630 3.756 -4.147 1.00 0.19 H new ATOM 1129 N PRO A 75 7.062 7.350 -3.655 1.00 0.17 N ATOM 1130 CA PRO A 75 6.230 6.189 -3.253 1.00 0.16 C ATOM 1131 C PRO A 75 5.555 5.565 -4.485 1.00 0.14 C ATOM 1132 O PRO A 75 5.181 6.260 -5.409 1.00 0.14 O ATOM 1133 CB PRO A 75 5.160 6.792 -2.319 1.00 0.17 C ATOM 1134 CG PRO A 75 5.242 8.338 -2.462 1.00 0.20 C ATOM 1135 CD PRO A 75 6.464 8.659 -3.346 1.00 0.19 C ATOM 0 HA PRO A 75 6.815 5.404 -2.775 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.167 6.433 -2.589 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.337 6.491 -1.286 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.330 8.730 -2.912 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.342 8.808 -1.484 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.168 9.182 -4.255 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.171 9.303 -2.824 1.00 0.19 H new ATOM 1143 N THR A 76 5.371 4.265 -4.487 1.00 0.13 N ATOM 1144 CA THR A 76 4.687 3.594 -5.641 1.00 0.12 C ATOM 1145 C THR A 76 3.417 2.934 -5.111 1.00 0.12 C ATOM 1146 O THR A 76 3.478 1.999 -4.339 1.00 0.18 O ATOM 1147 CB THR A 76 5.595 2.506 -6.246 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.936 2.956 -6.230 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.182 2.226 -7.695 1.00 0.13 C ATOM 0 H THR A 76 5.665 3.638 -3.738 1.00 0.13 H new ATOM 0 HA THR A 76 4.460 4.330 -6.412 1.00 0.12 H new ATOM 0 HB THR A 76 5.498 1.593 -5.658 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.980 3.865 -6.593 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.829 1.456 -8.115 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.147 1.884 -7.719 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.276 3.139 -8.283 1.00 0.13 H new ATOM 1157 N PHE A 77 2.267 3.399 -5.515 1.00 0.09 N ATOM 1158 CA PHE A 77 1.013 2.769 -5.016 1.00 0.09 C ATOM 1159 C PHE A 77 0.634 1.629 -5.943 1.00 0.09 C ATOM 1160 O PHE A 77 0.531 1.789 -7.143 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.119 3.792 -4.969 1.00 0.10 C ATOM 1162 CG PHE A 77 0.172 4.777 -3.869 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.099 4.426 -2.535 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.720 6.038 -4.173 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.178 5.339 -1.501 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.996 6.951 -3.140 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.725 6.604 -1.804 1.00 0.12 C ATOM 0 H PHE A 77 2.142 4.178 -6.161 1.00 0.09 H new ATOM 0 HA PHE A 77 1.178 2.392 -4.007 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.204 4.307 -5.926 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.072 3.294 -4.789 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.519 3.458 -2.304 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.928 6.304 -5.199 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.028 5.072 -0.475 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.416 7.919 -3.372 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.936 7.306 -1.010 1.00 0.12 H new ATOM 1177 N GLN A 78 0.435 0.473 -5.382 1.00 0.07 N ATOM 1178 CA GLN A 78 0.068 -0.720 -6.187 1.00 0.07 C ATOM 1179 C GLN A 78 -1.228 -1.287 -5.622 1.00 0.06 C ATOM 1180 O GLN A 78 -1.424 -1.334 -4.423 1.00 0.07 O ATOM 1181 CB GLN A 78 1.199 -1.744 -6.077 1.00 0.08 C ATOM 1182 CG GLN A 78 2.536 -1.055 -6.374 1.00 0.12 C ATOM 1183 CD GLN A 78 3.600 -2.105 -6.702 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.677 -1.774 -7.156 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.340 -3.366 -6.493 1.00 1.03 N ATOM 0 H GLN A 78 0.513 0.302 -4.380 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.077 -0.466 -7.237 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.215 -2.179 -5.078 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.034 -2.562 -6.779 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.422 -0.366 -7.211 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.849 -0.463 -5.514 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.436 -3.644 -6.112 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.041 -4.074 -6.711 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.132 -1.673 -6.479 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.451 -2.191 -6.014 1.00 0.07 C ATOM 1196 C PHE A 79 -3.552 -3.688 -6.290 1.00 0.07 C ATOM 1197 O PHE A 79 -3.288 -4.151 -7.382 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.554 -1.448 -6.773 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.545 0.010 -6.356 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.467 0.838 -6.719 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.596 0.534 -5.588 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.441 2.185 -6.320 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.572 1.878 -5.180 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.495 2.705 -5.547 1.00 0.11 C ATOM 0 H PHE A 79 -2.013 -1.652 -7.492 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.557 -2.030 -4.941 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.394 -1.533 -7.848 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.525 -1.895 -6.559 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.655 0.436 -7.307 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.426 -0.098 -5.310 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.615 2.819 -6.606 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.380 2.276 -4.585 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.477 3.739 -5.235 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.943 -4.444 -5.296 1.00 0.07 N ATOM 1215 CA PHE A 80 -4.084 -5.921 -5.459 1.00 0.08 C ATOM 1216 C PHE A 80 -5.471 -6.335 -4.979 1.00 0.11 C ATOM 1217 O PHE A 80 -6.115 -5.633 -4.224 1.00 0.15 O ATOM 1218 CB PHE A 80 -3.023 -6.638 -4.617 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.673 -6.520 -5.285 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -0.849 -5.415 -5.010 1.00 0.09 C ATOM 1221 CD2 PHE A 80 -1.238 -7.519 -6.176 1.00 0.14 C ATOM 1222 CE1 PHE A 80 0.410 -5.307 -5.625 1.00 0.11 C ATOM 1223 CE2 PHE A 80 0.024 -7.411 -6.791 1.00 0.17 C ATOM 1224 CZ PHE A 80 0.848 -6.304 -6.514 1.00 0.14 C ATOM 0 H PHE A 80 -4.173 -4.095 -4.366 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.952 -6.190 -6.507 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.984 -6.203 -3.618 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.289 -7.688 -4.498 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.183 -4.649 -4.326 1.00 0.09 H new ATOM 0 HD2 PHE A 80 -1.872 -8.368 -6.388 1.00 0.14 H new ATOM 0 HE1 PHE A 80 1.042 -4.457 -5.414 1.00 0.11 H new ATOM 0 HE2 PHE A 80 0.359 -8.177 -7.475 1.00 0.17 H new ATOM 0 HZ PHE A 80 1.817 -6.221 -6.984 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.933 -7.472 -5.409 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.276 -7.942 -4.981 1.00 0.14 C ATOM 1236 C LYS A 81 -7.293 -9.464 -5.101 1.00 0.14 C ATOM 1237 O LYS A 81 -7.053 -10.009 -6.159 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.345 -7.317 -5.894 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.715 -7.324 -5.200 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.711 -6.485 -6.013 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.948 -6.189 -5.164 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.996 -5.557 -6.015 1.00 1.48 N ATOM 0 H LYS A 81 -5.436 -8.099 -6.042 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.488 -7.648 -3.953 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -8.064 -6.295 -6.146 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.402 -7.872 -6.830 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -10.080 -8.347 -5.104 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.624 -6.922 -4.191 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.243 -5.553 -6.329 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.999 -7.020 -6.918 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.329 -7.111 -4.724 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.686 -5.526 -4.339 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.837 -5.356 -5.438 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.630 -4.669 -6.415 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -13.253 -6.204 -6.787 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.548 -10.151 -4.024 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.561 -11.641 -4.069 1.00 0.20 C ATOM 1258 C LYS A 82 -6.212 -12.156 -4.587 1.00 0.20 C ATOM 1259 O LYS A 82 -6.121 -13.241 -5.127 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.689 -12.127 -4.994 1.00 0.21 C ATOM 1261 CG LYS A 82 -10.032 -12.068 -4.257 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.136 -12.667 -5.138 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.253 -11.885 -6.455 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.284 -12.435 -7.446 1.00 1.67 N ATOM 0 H LYS A 82 -7.749 -9.744 -3.110 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.732 -12.026 -3.064 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.729 -11.507 -5.890 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.488 -13.147 -5.321 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.966 -12.617 -3.318 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.274 -11.035 -4.006 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.915 -13.714 -5.347 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -12.088 -12.642 -4.607 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.269 -11.957 -6.844 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -11.052 -10.828 -6.282 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -9.560 -11.719 -7.658 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -9.828 -13.282 -7.052 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -10.787 -12.688 -8.320 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.162 -11.399 -4.415 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.820 -11.860 -4.882 1.00 0.21 C ATOM 1280 C GLY A 83 -3.591 -11.458 -6.341 1.00 0.19 C ATOM 1281 O GLY A 83 -2.563 -11.765 -6.913 1.00 0.22 O ATOM 0 H GLY A 83 -5.174 -10.481 -3.971 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -3.042 -11.427 -4.253 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.746 -12.943 -4.781 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.531 -10.777 -6.951 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.355 -10.360 -8.384 1.00 0.17 C ATOM 1287 C GLN A 84 -4.159 -8.844 -8.473 1.00 0.16 C ATOM 1288 O GLN A 84 -4.720 -8.087 -7.708 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.599 -10.750 -9.186 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.981 -12.203 -8.884 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.766 -13.114 -9.080 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.422 -13.458 -10.193 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -4.095 -13.516 -8.035 1.00 2.08 N ATOM 0 H GLN A 84 -5.411 -10.491 -6.523 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.477 -10.861 -8.791 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.427 -10.087 -8.934 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.407 -10.629 -10.252 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -6.347 -12.286 -7.861 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.792 -12.519 -9.540 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -4.385 -13.227 -7.101 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.281 -14.119 -8.153 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.364 -8.402 -9.414 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.117 -6.938 -9.577 1.00 0.17 C ATOM 1304 C LYS A 85 -4.205 -6.329 -10.463 1.00 0.16 C ATOM 1305 O LYS A 85 -4.692 -6.963 -11.379 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.752 -6.722 -10.232 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.510 -5.217 -10.433 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.012 -4.940 -10.617 1.00 0.30 C ATOM 1309 CE LYS A 85 0.482 -5.582 -11.916 1.00 0.89 C ATOM 1310 NZ LYS A 85 -0.393 -5.160 -13.048 1.00 1.70 N ATOM 0 H LYS A 85 -2.872 -8.997 -10.081 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.134 -6.458 -8.599 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.966 -7.147 -9.608 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.711 -7.239 -11.191 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.062 -4.866 -11.305 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.887 -4.663 -9.573 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.167 -3.865 -10.641 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.547 -5.337 -9.770 1.00 0.30 H new ATOM 0 HE2 LYS A 85 1.513 -5.286 -12.110 1.00 0.89 H new ATOM 0 HE3 LYS A 85 0.474 -6.668 -11.823 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 0.123 -5.269 -13.945 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 -1.247 -5.753 -13.066 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 -0.665 -4.164 -12.924 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.593 -5.104 -10.194 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.657 -4.440 -11.014 1.00 0.16 C ATOM 1326 C VAL A 86 -5.159 -3.083 -11.530 1.00 0.18 C ATOM 1327 O VAL A 86 -5.583 -2.620 -12.570 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.904 -4.230 -10.150 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.467 -5.587 -9.724 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.539 -3.419 -8.903 1.00 0.17 C ATOM 0 H VAL A 86 -4.216 -4.533 -9.438 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.899 -5.075 -11.866 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.653 -3.689 -10.728 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.354 -5.436 -9.109 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.733 -6.165 -10.609 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.715 -6.129 -9.150 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.429 -3.272 -8.291 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.787 -3.957 -8.326 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.141 -2.450 -9.203 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.268 -2.437 -10.822 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.766 -1.112 -11.298 1.00 0.18 C ATOM 1342 C GLY A 87 -2.629 -0.620 -10.398 1.00 0.10 C ATOM 1343 O GLY A 87 -2.259 -1.269 -9.440 1.00 0.08 O ATOM 0 H GLY A 87 -3.869 -2.766 -9.943 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.414 -1.197 -12.326 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.579 -0.386 -11.298 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.070 0.526 -10.702 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.955 1.059 -9.865 1.00 0.10 C ATOM 1349 C GLU A 88 -0.589 2.476 -10.311 1.00 0.10 C ATOM 1350 O GLU A 88 -0.841 2.868 -11.433 1.00 0.11 O ATOM 1351 CB GLU A 88 0.279 0.156 -10.002 1.00 0.17 C ATOM 1352 CG GLU A 88 0.682 0.013 -11.477 1.00 0.25 C ATOM 1353 CD GLU A 88 -0.363 -0.815 -12.226 1.00 1.25 C ATOM 1354 OE1 GLU A 88 -0.499 -1.985 -11.914 1.00 2.04 O ATOM 1355 OE2 GLU A 88 -1.010 -0.263 -13.101 1.00 1.94 O ATOM 0 H GLU A 88 -2.338 1.113 -11.492 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.282 1.080 -8.825 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.108 0.575 -9.432 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.066 -0.826 -9.580 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.774 0.998 -11.935 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.659 -0.465 -11.551 1.00 0.25 H new ATOM 1362 N PHE A 89 0.030 3.240 -9.447 1.00 0.09 N ATOM 1363 CA PHE A 89 0.439 4.620 -9.840 1.00 0.09 C ATOM 1364 C PHE A 89 1.378 5.222 -8.786 1.00 0.09 C ATOM 1365 O PHE A 89 1.125 5.162 -7.604 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.798 5.519 -10.044 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.378 5.982 -8.719 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.726 6.982 -7.968 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.582 5.424 -8.244 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.272 7.415 -6.749 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.129 5.862 -7.024 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.473 6.858 -6.277 1.00 0.11 C ATOM 0 H PHE A 89 0.268 2.969 -8.493 1.00 0.09 H new ATOM 0 HA PHE A 89 0.976 4.562 -10.787 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.523 6.386 -10.644 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.557 4.972 -10.603 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.194 7.415 -8.331 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.085 4.659 -8.817 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.768 8.177 -6.173 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.052 5.434 -6.661 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.893 7.195 -5.341 1.00 0.11 H new ATOM 1382 N SER A 90 2.464 5.813 -9.222 1.00 0.13 N ATOM 1383 CA SER A 90 3.434 6.442 -8.268 1.00 0.14 C ATOM 1384 C SER A 90 3.234 7.960 -8.294 1.00 0.14 C ATOM 1385 O SER A 90 2.282 8.460 -8.862 1.00 0.17 O ATOM 1386 CB SER A 90 4.859 6.113 -8.713 1.00 0.15 C ATOM 1387 OG SER A 90 5.244 7.002 -9.753 1.00 0.16 O ATOM 0 H SER A 90 2.723 5.888 -10.206 1.00 0.13 H new ATOM 0 HA SER A 90 3.269 6.062 -7.260 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.545 6.202 -7.871 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.914 5.082 -9.062 1.00 0.15 H new ATOM 0 HG SER A 90 5.709 7.774 -9.368 1.00 0.16 H new ATOM 1393 N GLY A 91 4.122 8.700 -7.685 1.00 0.12 N ATOM 1394 CA GLY A 91 3.982 10.189 -7.677 1.00 0.13 C ATOM 1395 C GLY A 91 3.178 10.618 -6.449 1.00 0.13 C ATOM 1396 O GLY A 91 2.105 10.109 -6.189 1.00 0.13 O ATOM 0 H GLY A 91 4.939 8.339 -7.192 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.966 10.658 -7.663 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.483 10.523 -8.587 1.00 0.13 H new ATOM 1400 N ALA A 92 3.692 11.543 -5.685 1.00 0.15 N ATOM 1401 CA ALA A 92 2.957 11.991 -4.466 1.00 0.17 C ATOM 1402 C ALA A 92 1.557 12.495 -4.837 1.00 0.15 C ATOM 1403 O ALA A 92 1.370 13.652 -5.155 1.00 0.16 O ATOM 1404 CB ALA A 92 3.737 13.123 -3.779 1.00 0.20 C ATOM 0 H ALA A 92 4.585 12.007 -5.850 1.00 0.15 H new ATOM 0 HA ALA A 92 2.860 11.143 -3.788 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.198 13.448 -2.889 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.725 12.763 -3.493 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.842 13.962 -4.467 1.00 0.20 H new ATOM 1410 N ASN A 93 0.570 11.641 -4.759 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.830 12.067 -5.061 1.00 0.13 C ATOM 1412 C ASN A 93 -1.762 11.377 -4.060 1.00 0.12 C ATOM 1413 O ASN A 93 -2.411 10.397 -4.365 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.198 11.673 -6.498 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.374 12.529 -6.973 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.358 12.672 -6.274 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.312 13.111 -8.138 1.00 1.15 N ATOM 0 H ASN A 93 0.674 10.661 -4.497 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.927 13.149 -4.973 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.341 11.815 -7.157 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.462 10.616 -6.541 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.089 13.686 -8.463 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.486 12.991 -8.725 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.802 11.874 -2.856 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.655 11.247 -1.805 1.00 0.20 C ATOM 1426 C LYS A 94 -4.134 11.339 -2.189 1.00 0.18 C ATOM 1427 O LYS A 94 -4.912 10.453 -1.899 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.423 11.966 -0.467 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.337 13.496 -0.688 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.866 13.953 -0.776 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.308 14.192 0.631 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.118 14.613 0.532 1.00 1.19 N ATOM 0 H LYS A 94 -1.277 12.694 -2.551 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.385 10.195 -1.711 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.235 11.736 0.223 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.503 11.606 -0.007 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.862 13.766 -1.604 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.836 14.015 0.130 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.271 13.197 -1.289 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.795 14.868 -1.365 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.891 14.960 1.140 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.390 13.283 1.226 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.499 14.776 1.486 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.669 13.866 0.062 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.183 15.491 -0.021 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.533 12.402 -2.827 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.963 12.537 -3.209 1.00 0.20 C ATOM 1448 C GLU A 95 -6.317 11.457 -4.230 1.00 0.17 C ATOM 1449 O GLU A 95 -7.450 11.033 -4.335 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.188 13.919 -3.823 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.940 14.993 -2.763 1.00 0.33 C ATOM 1452 CD GLU A 95 -7.057 14.945 -1.719 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -8.079 15.572 -1.944 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -6.871 14.281 -0.712 1.00 1.86 O ATOM 0 H GLU A 95 -3.933 13.180 -3.099 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.595 12.422 -2.328 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.517 14.066 -4.670 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.206 13.998 -4.205 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -4.974 14.832 -2.285 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.905 15.978 -3.229 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.354 11.008 -4.982 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.630 9.955 -5.994 1.00 0.14 C ATOM 1463 C LYS A 96 -5.976 8.644 -5.287 1.00 0.12 C ATOM 1464 O LYS A 96 -6.809 7.892 -5.745 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.404 9.759 -6.887 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.728 8.742 -7.985 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.583 8.682 -9.015 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.781 9.751 -10.097 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.050 9.489 -10.833 1.00 2.05 N ATOM 0 H LYS A 96 -4.386 11.326 -4.939 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.473 10.262 -6.613 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.110 10.709 -7.332 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.560 9.411 -6.292 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.881 7.757 -7.544 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.659 9.017 -8.481 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.627 8.835 -8.515 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.549 7.694 -9.473 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.810 10.741 -9.643 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -2.939 9.742 -10.789 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.955 9.814 -11.816 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.252 8.469 -10.824 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -5.830 10.001 -10.373 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.354 8.358 -4.171 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.681 7.088 -3.458 1.00 0.11 C ATOM 1485 C LEU A 97 -7.189 7.034 -3.223 1.00 0.11 C ATOM 1486 O LEU A 97 -7.801 5.986 -3.280 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.961 7.025 -2.100 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.457 7.306 -2.261 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.853 7.675 -0.900 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.739 6.062 -2.804 1.00 0.13 C ATOM 0 H LEU A 97 -4.643 8.941 -3.728 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.354 6.245 -4.067 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.400 7.753 -1.417 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.105 6.041 -1.653 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.329 8.131 -2.961 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.788 7.874 -1.017 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.348 8.565 -0.512 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.994 6.849 -0.203 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.675 6.274 -2.913 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.874 5.232 -2.110 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.157 5.795 -3.775 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.792 8.159 -2.961 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.263 8.175 -2.725 1.00 0.14 C ATOM 1504 C GLU A 98 -9.991 7.818 -4.024 1.00 0.13 C ATOM 1505 O GLU A 98 -10.784 6.899 -4.073 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.694 9.570 -2.269 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.185 9.553 -1.925 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.566 10.860 -1.229 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.926 11.193 -0.245 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.493 11.505 -1.690 1.00 2.15 O ATOM 0 H GLU A 98 -7.331 9.067 -2.900 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.514 7.447 -1.953 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.112 9.877 -1.400 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.499 10.298 -3.056 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.776 9.426 -2.832 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.409 8.706 -1.277 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.731 8.548 -5.074 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.408 8.269 -6.372 1.00 0.14 C ATOM 1519 C ALA A 99 -10.105 6.840 -6.835 1.00 0.12 C ATOM 1520 O ALA A 99 -10.972 6.143 -7.314 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.910 9.261 -7.426 1.00 0.15 C ATOM 0 H ALA A 99 -9.076 9.329 -5.088 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.485 8.376 -6.240 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.403 9.060 -8.377 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.139 10.277 -7.106 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.832 9.153 -7.547 1.00 0.15 H new ATOM 1527 N THR A 100 -8.881 6.404 -6.706 1.00 0.11 N ATOM 1528 CA THR A 100 -8.525 5.026 -7.156 1.00 0.11 C ATOM 1529 C THR A 100 -9.231 3.994 -6.274 1.00 0.10 C ATOM 1530 O THR A 100 -9.806 3.039 -6.756 1.00 0.11 O ATOM 1531 CB THR A 100 -7.008 4.836 -7.056 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.356 5.950 -7.648 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.597 3.556 -7.788 1.00 0.12 C ATOM 0 H THR A 100 -8.111 6.942 -6.308 1.00 0.11 H new ATOM 0 HA THR A 100 -8.843 4.889 -8.190 1.00 0.11 H new ATOM 0 HB THR A 100 -6.721 4.757 -6.007 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.457 6.734 -7.069 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.517 3.425 -7.714 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.098 2.701 -7.335 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.883 3.629 -8.837 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.198 4.183 -4.986 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.873 3.218 -4.069 1.00 0.11 C ATOM 1543 C ILE A 101 -11.374 3.203 -4.375 1.00 0.13 C ATOM 1544 O ILE A 101 -11.965 2.160 -4.569 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.631 3.659 -2.613 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.171 3.349 -2.225 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.586 2.913 -1.669 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.759 4.134 -0.968 1.00 0.18 C ATOM 0 H ILE A 101 -8.732 4.965 -4.525 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.470 2.215 -4.211 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.816 4.730 -2.526 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.058 2.280 -2.045 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.509 3.605 -3.052 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.406 3.232 -0.643 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.617 3.137 -1.943 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.413 1.840 -1.750 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.725 3.898 -0.714 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.851 5.203 -1.160 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.408 3.858 -0.137 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.994 4.350 -4.418 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.455 4.398 -4.705 1.00 0.17 C ATOM 1562 C ASN A 102 -13.725 3.824 -6.100 1.00 0.18 C ATOM 1563 O ASN A 102 -14.845 3.501 -6.442 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.937 5.851 -4.644 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.466 5.886 -4.585 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.089 4.948 -4.128 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.101 6.936 -5.028 1.00 1.03 N ATOM 0 H ASN A 102 -11.552 5.257 -4.267 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.991 3.806 -3.963 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.518 6.347 -3.768 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.585 6.398 -5.518 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.120 6.969 -4.991 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.579 7.724 -5.412 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.709 3.703 -6.910 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.907 3.157 -8.285 1.00 0.18 C ATOM 1576 C GLU A 103 -13.060 1.634 -8.228 1.00 0.19 C ATOM 1577 O GLU A 103 -14.044 1.079 -8.675 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.691 3.512 -9.153 1.00 0.17 C ATOM 1579 CG GLU A 103 -12.065 3.419 -10.638 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.941 4.614 -11.023 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.558 5.729 -10.709 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.978 4.394 -11.626 1.00 2.01 O ATOM 0 H GLU A 103 -11.749 3.959 -6.680 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.809 3.592 -8.715 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.347 4.519 -8.918 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.866 2.834 -8.934 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.163 3.404 -11.250 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.597 2.488 -10.832 1.00 0.22 H new ATOM 1589 N LEU A 104 -12.075 0.956 -7.702 1.00 0.17 N ATOM 1590 CA LEU A 104 -12.126 -0.536 -7.633 1.00 0.19 C ATOM 1591 C LEU A 104 -12.723 -0.987 -6.299 1.00 0.19 C ATOM 1592 O LEU A 104 -12.564 -2.120 -5.893 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.703 -1.081 -7.762 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.988 -0.385 -8.924 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.615 -1.026 -9.129 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.816 -0.525 -10.210 1.00 0.35 C ATOM 0 H LEU A 104 -11.230 1.374 -7.314 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.752 -0.914 -8.441 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -10.155 -0.917 -6.834 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.729 -2.158 -7.931 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.870 0.673 -8.691 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -8.103 -0.533 -9.955 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.024 -0.918 -8.220 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.738 -2.085 -9.358 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.300 -0.027 -11.031 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.942 -1.581 -10.448 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.794 -0.066 -10.065 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.411 -0.119 -5.612 1.00 0.20 N ATOM 1609 CA VAL A 105 -14.011 -0.524 -4.311 1.00 0.22 C ATOM 1610 C VAL A 105 -15.061 -1.609 -4.553 1.00 0.26 C ATOM 1611 O VAL A 105 -15.230 -2.447 -3.682 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.669 0.686 -3.644 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.741 1.266 -4.571 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.311 0.259 -2.319 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.678 -1.585 -5.605 1.00 1.18 O ATOM 0 H VAL A 105 -13.583 0.847 -5.892 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.229 -0.911 -3.658 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.911 1.445 -3.449 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.208 2.127 -4.093 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.281 1.576 -5.509 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.498 0.508 -4.771 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.779 1.123 -1.846 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -16.066 -0.504 -2.510 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.545 -0.146 -1.658 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.433 0.518 6.774 1.00 0.00 N ATOM 1627 CA PHE B 1 21.521 1.646 6.435 1.00 0.00 C ATOM 1628 C PHE B 1 20.426 1.154 5.489 1.00 0.00 C ATOM 1629 O PHE B 1 20.295 -0.028 5.239 1.00 0.00 O ATOM 1630 CB PHE B 1 22.316 2.765 5.753 1.00 0.00 C ATOM 1631 CG PHE B 1 23.059 2.219 4.551 1.00 0.00 C ATOM 1632 CD1 PHE B 1 22.375 1.992 3.339 1.00 0.00 C ATOM 1633 CD2 PHE B 1 24.439 1.953 4.635 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.066 1.503 2.219 1.00 0.00 C ATOM 1635 CE2 PHE B 1 25.131 1.460 3.513 1.00 0.00 C ATOM 1636 CZ PHE B 1 24.445 1.235 2.305 1.00 0.00 C ATOM 0 H1 PHE B 1 22.731 0.599 7.767 1.00 0.00 H new ATOM 0 H2 PHE B 1 21.936 -0.385 6.634 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.270 0.551 6.158 1.00 0.00 H new ATOM 0 HA PHE B 1 21.068 2.028 7.350 1.00 0.00 H new ATOM 0 HB2 PHE B 1 21.642 3.563 5.442 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.022 3.202 6.459 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.316 2.195 3.272 1.00 0.00 H new ATOM 0 HD2 PHE B 1 24.967 2.127 5.561 1.00 0.00 H new ATOM 0 HE1 PHE B 1 22.539 1.333 1.292 1.00 0.00 H new ATOM 0 HE2 PHE B 1 26.189 1.254 3.579 1.00 0.00 H new ATOM 0 HZ PHE B 1 24.977 0.857 1.444 1.00 0.00 H new ATOM 1648 N ARG B 2 19.643 2.056 4.952 1.00 0.00 N ATOM 1649 CA ARG B 2 18.558 1.649 4.007 1.00 0.00 C ATOM 1650 C ARG B 2 18.423 2.711 2.897 1.00 0.00 C ATOM 1651 O ARG B 2 17.612 3.609 2.976 1.00 0.00 O ATOM 1652 CB ARG B 2 17.199 1.476 4.752 1.00 0.00 C ATOM 1653 CG ARG B 2 17.308 1.831 6.255 1.00 0.00 C ATOM 1654 CD ARG B 2 17.685 0.586 7.079 1.00 0.00 C ATOM 1655 NE ARG B 2 16.435 -0.084 7.537 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.471 -1.313 7.972 1.00 0.00 C ATOM 1657 NH1 ARG B 2 17.599 -1.966 7.984 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.375 -1.891 8.383 1.00 0.00 N ATOM 0 H ARG B 2 19.709 3.059 5.128 1.00 0.00 H new ATOM 0 HA ARG B 2 18.822 0.688 3.566 1.00 0.00 H new ATOM 0 HB2 ARG B 2 16.446 2.111 4.284 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.857 0.446 4.647 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.058 2.609 6.397 1.00 0.00 H new ATOM 0 HG3 ARG B 2 16.359 2.235 6.609 1.00 0.00 H new ATOM 0 HD2 ARG B 2 18.281 -0.099 6.476 1.00 0.00 H new ATOM 0 HD3 ARG B 2 18.296 0.871 7.936 1.00 0.00 H new ATOM 0 HE ARG B 2 15.549 0.420 7.510 1.00 0.00 H new ATOM 0 HH11 ARG B 2 18.452 -1.516 7.653 1.00 0.00 H new ATOM 0 HH12 ARG B 2 17.628 -2.927 8.324 1.00 0.00 H new ATOM 0 HH21 ARG B 2 14.492 -1.381 8.364 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.402 -2.852 8.723 1.00 0.00 H new ATOM 1672 N PHE B 3 19.208 2.598 1.854 1.00 0.00 N ATOM 1673 CA PHE B 3 19.131 3.574 0.715 1.00 0.00 C ATOM 1674 C PHE B 3 18.933 2.806 -0.597 1.00 0.00 C ATOM 1675 O PHE B 3 19.470 1.733 -0.785 1.00 0.00 O ATOM 1676 CB PHE B 3 20.424 4.404 0.650 1.00 0.00 C ATOM 1677 CG PHE B 3 20.348 5.562 1.628 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.488 5.342 3.011 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.137 6.868 1.145 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.417 6.424 3.908 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.066 7.948 2.041 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.208 7.727 3.423 1.00 0.00 C ATOM 0 H PHE B 3 19.907 1.864 1.739 1.00 0.00 H new ATOM 0 HA PHE B 3 18.289 4.249 0.869 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.282 3.774 0.885 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.573 4.781 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.650 4.342 3.384 1.00 0.00 H new ATOM 0 HD2 PHE B 3 20.030 7.040 0.084 1.00 0.00 H new ATOM 0 HE1 PHE B 3 20.523 6.253 4.969 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.902 8.948 1.668 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.156 8.558 4.111 1.00 0.00 H new ATOM 1692 N ARG B 4 18.155 3.350 -1.502 1.00 0.00 N ATOM 1693 CA ARG B 4 17.903 2.658 -2.806 1.00 0.00 C ATOM 1694 C ARG B 4 17.846 3.699 -3.938 1.00 0.00 C ATOM 1695 O ARG B 4 18.865 4.208 -4.359 1.00 0.00 O ATOM 1696 CB ARG B 4 16.573 1.882 -2.713 1.00 0.00 C ATOM 1697 CG ARG B 4 16.826 0.451 -2.207 1.00 0.00 C ATOM 1698 CD ARG B 4 17.295 -0.456 -3.363 1.00 0.00 C ATOM 1699 NE ARG B 4 16.123 -1.194 -3.916 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.214 -1.798 -5.070 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.328 -1.747 -5.748 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.191 -2.454 -5.547 1.00 0.00 N ATOM 0 H ARG B 4 17.682 4.247 -1.393 1.00 0.00 H new ATOM 0 HA ARG B 4 18.709 1.957 -3.022 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.889 2.398 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG B 4 16.093 1.850 -3.691 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.580 0.465 -1.420 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.914 0.048 -1.768 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.764 0.143 -4.144 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.047 -1.160 -3.006 1.00 0.00 H new ATOM 0 HE ARG B 4 15.249 -1.227 -3.392 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.128 -1.235 -5.376 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.398 -2.219 -6.649 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.320 -2.495 -5.018 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.263 -2.926 -6.449 1.00 0.00 H new ATOM 1716 N TYR B 5 16.668 4.012 -4.442 1.00 0.00 N ATOM 1717 CA TYR B 5 16.558 5.013 -5.559 1.00 0.00 C ATOM 1718 C TYR B 5 15.913 6.317 -5.060 1.00 0.00 C ATOM 1719 O TYR B 5 15.778 6.547 -3.874 1.00 0.00 O ATOM 1720 CB TYR B 5 15.746 4.415 -6.723 1.00 0.00 C ATOM 1721 CG TYR B 5 14.595 3.584 -6.214 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.791 2.233 -5.871 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.319 4.157 -6.112 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.705 1.459 -5.416 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.238 3.385 -5.666 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.429 2.038 -5.312 1.00 0.00 C ATOM 1727 OH TYR B 5 11.362 1.283 -4.875 1.00 0.00 O ATOM 0 H TYR B 5 15.781 3.618 -4.128 1.00 0.00 H new ATOM 0 HA TYR B 5 17.560 5.249 -5.916 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.367 5.218 -7.356 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.396 3.799 -7.345 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.772 1.790 -5.956 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.170 5.193 -6.377 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.853 0.423 -5.148 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.255 3.826 -5.594 1.00 0.00 H new ATOM 0 HH TYR B 5 11.693 0.459 -4.459 1.00 0.00 H new ATOM 1737 N VAL B 6 15.572 7.191 -5.972 1.00 0.00 N ATOM 1738 CA VAL B 6 14.997 8.521 -5.596 1.00 0.00 C ATOM 1739 C VAL B 6 13.569 8.407 -5.053 1.00 0.00 C ATOM 1740 O VAL B 6 12.788 7.577 -5.475 1.00 0.00 O ATOM 1741 CB VAL B 6 14.965 9.416 -6.841 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.832 10.882 -6.424 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.253 9.231 -7.637 1.00 0.00 C ATOM 0 H VAL B 6 15.668 7.039 -6.976 1.00 0.00 H new ATOM 0 HA VAL B 6 15.627 8.941 -4.812 1.00 0.00 H new ATOM 0 HB VAL B 6 14.111 9.138 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.810 11.513 -7.313 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.909 11.018 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.682 11.162 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.229 9.868 -8.521 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.107 9.504 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.345 8.189 -7.943 1.00 0.00 H new ATOM 1753 N CYS B 7 13.215 9.296 -4.154 1.00 0.00 N ATOM 1754 CA CYS B 7 11.826 9.326 -3.606 1.00 0.00 C ATOM 1755 C CYS B 7 11.063 10.445 -4.313 1.00 0.00 C ATOM 1756 O CYS B 7 11.169 11.601 -3.955 1.00 0.00 O ATOM 1757 CB CYS B 7 11.856 9.597 -2.095 1.00 0.00 C ATOM 1758 SG CYS B 7 13.194 8.653 -1.328 1.00 0.00 S ATOM 0 H CYS B 7 13.838 10.009 -3.774 1.00 0.00 H new ATOM 0 HA CYS B 7 11.339 8.365 -3.773 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.998 10.662 -1.910 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.901 9.320 -1.648 1.00 0.00 H new ATOM 1763 N GLU B 8 10.316 10.120 -5.332 1.00 0.00 N ATOM 1764 CA GLU B 8 9.577 11.181 -6.076 1.00 0.00 C ATOM 1765 C GLU B 8 8.261 11.510 -5.363 1.00 0.00 C ATOM 1766 O GLU B 8 7.222 11.681 -5.980 1.00 0.00 O ATOM 1767 CB GLU B 8 9.292 10.699 -7.503 1.00 0.00 C ATOM 1768 CG GLU B 8 8.898 9.218 -7.475 1.00 0.00 C ATOM 1769 CD GLU B 8 8.202 8.845 -8.786 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.809 9.029 -9.828 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.074 8.385 -8.725 1.00 0.00 O ATOM 0 H GLU B 8 10.185 9.171 -5.681 1.00 0.00 H new ATOM 0 HA GLU B 8 10.188 12.083 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.490 11.291 -7.945 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.174 10.840 -8.128 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.784 8.599 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.235 9.024 -6.632 1.00 0.00 H new ATOM 1778 N GLY B 9 8.305 11.649 -4.071 1.00 0.00 N ATOM 1779 CA GLY B 9 7.074 12.024 -3.333 1.00 0.00 C ATOM 1780 C GLY B 9 6.782 13.496 -3.674 1.00 0.00 C ATOM 1781 O GLY B 9 6.816 13.847 -4.838 1.00 0.00 O ATOM 0 H GLY B 9 9.138 11.520 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.239 11.387 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.213 11.896 -2.259 1.00 0.00 H new ATOM 1785 N PRO B 10 6.537 14.340 -2.691 1.00 0.00 N ATOM 1786 CA PRO B 10 6.294 15.767 -2.972 1.00 0.00 C ATOM 1787 C PRO B 10 7.590 16.405 -3.500 1.00 0.00 C ATOM 1788 O PRO B 10 7.810 17.592 -3.366 1.00 0.00 O ATOM 1789 CB PRO B 10 5.880 16.378 -1.615 1.00 0.00 C ATOM 1790 CG PRO B 10 6.005 15.259 -0.542 1.00 0.00 C ATOM 1791 CD PRO B 10 6.456 13.970 -1.262 1.00 0.00 C ATOM 0 HA PRO B 10 5.525 15.931 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.520 17.224 -1.364 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.858 16.754 -1.660 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.727 15.542 0.224 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.051 15.103 -0.039 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.420 13.625 -0.888 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.745 13.160 -1.104 1.00 0.00 H new ATOM 1799 N SER B 11 8.449 15.612 -4.093 1.00 0.00 N ATOM 1800 CA SER B 11 9.740 16.137 -4.632 1.00 0.00 C ATOM 1801 C SER B 11 9.625 16.326 -6.148 1.00 0.00 C ATOM 1802 O SER B 11 10.217 17.220 -6.718 1.00 0.00 O ATOM 1803 CB SER B 11 10.857 15.130 -4.330 1.00 0.00 C ATOM 1804 OG SER B 11 12.117 15.754 -4.542 1.00 0.00 O ATOM 0 H SER B 11 8.307 14.611 -4.227 1.00 0.00 H new ATOM 0 HA SER B 11 9.968 17.095 -4.164 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.779 14.780 -3.301 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.758 14.255 -4.972 1.00 0.00 H new ATOM 0 HG SER B 11 12.835 15.115 -4.349 1.00 0.00 H new ATOM 1810 N HIS B 12 8.872 15.486 -6.806 1.00 0.00 N ATOM 1811 CA HIS B 12 8.725 15.614 -8.285 1.00 0.00 C ATOM 1812 C HIS B 12 8.163 16.996 -8.628 1.00 0.00 C ATOM 1813 O HIS B 12 8.892 17.960 -8.752 1.00 0.00 O ATOM 1814 CB HIS B 12 7.775 14.530 -8.801 1.00 0.00 C ATOM 1815 CG HIS B 12 7.569 14.703 -10.282 1.00 0.00 C ATOM 1816 ND1 HIS B 12 6.329 14.544 -10.880 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.436 15.024 -11.298 1.00 0.00 C ATOM 1818 CE1 HIS B 12 6.482 14.769 -12.198 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.747 15.065 -12.507 1.00 0.00 N ATOM 0 H HIS B 12 8.352 14.717 -6.383 1.00 0.00 H new ATOM 0 HA HIS B 12 9.700 15.495 -8.757 1.00 0.00 H new ATOM 0 HB2 HIS B 12 8.187 13.542 -8.594 1.00 0.00 H new ATOM 0 HB3 HIS B 12 6.819 14.592 -8.281 1.00 0.00 H new ATOM 0 HD2 HIS B 12 9.492 15.216 -11.177 1.00 0.00 H new ATOM 0 HE1 HIS B 12 5.679 14.717 -12.918 1.00 0.00 H new ATOM 0 HE2 HIS B 12 8.127 15.276 -13.430 1.00 0.00 H new ATOM 1827 N GLY B 13 6.871 17.100 -8.787 1.00 0.00 N ATOM 1828 CA GLY B 13 6.266 18.419 -9.126 1.00 0.00 C ATOM 1829 C GLY B 13 4.742 18.320 -9.046 1.00 0.00 C ATOM 1830 O GLY B 13 4.244 17.209 -8.959 1.00 0.00 O ATOM 1831 OXT GLY B 13 4.098 19.356 -9.074 1.00 0.00 O ATOM 0 H GLY B 13 6.209 16.329 -8.697 1.00 0.00 H new ATOM 0 HA2 GLY B 13 6.627 19.184 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY B 13 6.569 18.723 -10.128 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.811 -10.467 -1.247 1.00 0.24 O HETATM 1839 O HOH A 107 9.498 -3.730 5.004 1.00 0.40 O HETATM 1842 O HOH A 108 12.619 1.504 2.544 1.00 0.32 O HETATM 1845 O HOH A 109 -8.912 -8.400 0.071 1.00 0.26 O HETATM 1848 O HOH A 110 -7.799 -13.210 0.737 1.00 0.21 O HETATM 1851 O HOH A 111 -12.444 -2.805 0.348 1.00 0.37 O