USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -175:sc= -0.487 (180deg=-0.65) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 8 ASN : amide:sc= -0.0088 X(o=-0.0088,f=-0.0016) USER MOD Single : A 9 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.6!) USER MOD Single : A 12 SER OG : rot 72:sc= 0.0473 USER MOD Single : A 13 TYR OH : rot 0:sc= -2.51! USER MOD Single : A 15 ASN : amide:sc=-0.00756 K(o=-0.0076,f=-0.88) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0.0647 (180deg=0.0398) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.141) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=-0.037) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 81:sc= 0.853 USER MOD Single : A 36 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1) USER MOD Single : A 37 THR OG1 : rot 91:sc= 1.29 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.3!) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.116) USER MOD Single : A 42 GLN : amide:sc= -8.81! K(o=-8.8!,f=-1.4) USER MOD Single : A 44 HIS : no HD1:sc= -1.8 K(o=-1.8,f=0.32) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -117:sc= -0.542 (180deg=-3.43!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -5.65! C(o=-5.6!,f=-7.5!) USER MOD Single : A 69 GLN : amide:sc= -5.32! K(o=-5.3!,f=-0.73) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.204 X(o=0.2,f=-0.027) USER MOD Single : A 84 LYS NZ :NH3+ -165:sc= -0.0545 (180deg=-0.278) USER MOD Single : B 1 ASN : amide:sc= -2.53! C(o=-2.5!,f=-8.7!) USER MOD Single : B 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 GLN : amide:sc= -5.35! K(o=-5.3!,f=-1.9) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -13.192 19.157 -0.538 1.00 0.00 N ATOM 2 CA GLU A 1 -13.779 19.929 -1.664 1.00 0.00 C ATOM 3 C GLU A 1 -12.688 20.525 -2.549 1.00 0.00 C ATOM 4 O GLU A 1 -12.818 21.647 -3.041 1.00 0.00 O ATOM 5 CB GLU A 1 -14.658 21.039 -1.085 1.00 0.00 C ATOM 6 CG GLU A 1 -15.805 20.521 -0.233 1.00 0.00 C ATOM 7 CD GLU A 1 -16.648 21.636 0.358 1.00 0.00 C ATOM 8 OE1 GLU A 1 -16.330 22.818 0.109 1.00 0.00 O ATOM 9 OE2 GLU A 1 -17.626 21.326 1.071 1.00 0.00 O ATOM 0 H1 GLU A 1 -13.953 18.693 -0.002 1.00 0.00 H new ATOM 0 H2 GLU A 1 -12.543 18.436 -0.913 1.00 0.00 H new ATOM 0 H3 GLU A 1 -12.669 19.801 0.089 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.377 19.262 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.040 21.704 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.063 21.635 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.439 19.875 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -15.404 19.908 0.574 1.00 0.00 H new ATOM 18 N SER A 2 -11.618 19.761 -2.747 1.00 0.00 N ATOM 19 CA SER A 2 -10.496 20.197 -3.574 1.00 0.00 C ATOM 20 C SER A 2 -9.448 19.091 -3.674 1.00 0.00 C ATOM 21 O SER A 2 -9.788 17.908 -3.661 1.00 0.00 O ATOM 22 CB SER A 2 -9.870 21.468 -2.992 1.00 0.00 C ATOM 23 OG SER A 2 -9.401 21.248 -1.673 1.00 0.00 O ATOM 0 H SER A 2 -11.504 18.831 -2.344 1.00 0.00 H new ATOM 0 HA SER A 2 -10.867 20.416 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.045 21.793 -3.625 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.606 22.272 -2.990 1.00 0.00 H new ATOM 0 HG SER A 2 -9.004 22.074 -1.325 1.00 0.00 H new ATOM 29 N ASP A 3 -8.174 19.479 -3.764 1.00 0.00 N ATOM 30 CA ASP A 3 -7.078 18.515 -3.857 1.00 0.00 C ATOM 31 C ASP A 3 -7.171 17.684 -5.135 1.00 0.00 C ATOM 32 O ASP A 3 -8.264 17.411 -5.634 1.00 0.00 O ATOM 33 CB ASP A 3 -7.069 17.595 -2.635 1.00 0.00 C ATOM 34 CG ASP A 3 -6.887 18.360 -1.338 1.00 0.00 C ATOM 35 OD1 ASP A 3 -5.849 19.039 -1.192 1.00 0.00 O ATOM 36 OD2 ASP A 3 -7.781 18.281 -0.471 1.00 0.00 O ATOM 0 H ASP A 3 -7.877 20.455 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.146 19.079 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.005 17.037 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.266 16.865 -2.739 1.00 0.00 H new ATOM 41 N SER A 4 -6.015 17.286 -5.658 1.00 0.00 N ATOM 42 CA SER A 4 -5.945 16.493 -6.867 1.00 0.00 C ATOM 43 C SER A 4 -6.850 15.277 -6.777 1.00 0.00 C ATOM 44 O SER A 4 -6.998 14.669 -5.716 1.00 0.00 O ATOM 45 CB SER A 4 -4.518 16.045 -7.102 1.00 0.00 C ATOM 46 OG SER A 4 -3.594 17.064 -6.759 1.00 0.00 O ATOM 0 H SER A 4 -5.106 17.507 -5.252 1.00 0.00 H new ATOM 0 HA SER A 4 -6.281 17.111 -7.700 1.00 0.00 H new ATOM 0 HB2 SER A 4 -4.313 15.152 -6.511 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.388 15.771 -8.149 1.00 0.00 H new ATOM 0 HG SER A 4 -2.681 16.745 -6.920 1.00 0.00 H new ATOM 52 N VAL A 5 -7.441 14.926 -7.905 1.00 0.00 N ATOM 53 CA VAL A 5 -8.326 13.776 -7.979 1.00 0.00 C ATOM 54 C VAL A 5 -7.589 12.512 -7.560 1.00 0.00 C ATOM 55 O VAL A 5 -8.141 11.667 -6.863 1.00 0.00 O ATOM 56 CB VAL A 5 -8.885 13.585 -9.401 1.00 0.00 C ATOM 57 CG1 VAL A 5 -9.721 12.316 -9.482 1.00 0.00 C ATOM 58 CG2 VAL A 5 -9.703 14.798 -9.821 1.00 0.00 C ATOM 0 H VAL A 5 -7.323 15.424 -8.788 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.157 13.962 -7.299 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.046 13.484 -10.090 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.107 12.199 -10.495 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.102 11.456 -9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.554 12.383 -8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.090 14.645 -10.828 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.535 14.933 -9.130 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.071 15.686 -9.806 1.00 0.00 H new ATOM 68 N GLU A 6 -6.340 12.399 -7.999 1.00 0.00 N ATOM 69 CA GLU A 6 -5.506 11.243 -7.684 1.00 0.00 C ATOM 70 C GLU A 6 -5.347 11.059 -6.176 1.00 0.00 C ATOM 71 O GLU A 6 -5.342 9.933 -5.680 1.00 0.00 O ATOM 72 CB GLU A 6 -4.131 11.388 -8.335 1.00 0.00 C ATOM 73 CG GLU A 6 -4.185 11.532 -9.848 1.00 0.00 C ATOM 74 CD GLU A 6 -2.809 11.660 -10.474 1.00 0.00 C ATOM 75 OE1 GLU A 6 -1.810 11.641 -9.724 1.00 0.00 O ATOM 76 OE2 GLU A 6 -2.731 11.781 -11.715 1.00 0.00 O ATOM 0 H GLU A 6 -5.879 13.100 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.005 10.359 -8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.629 12.259 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.525 10.518 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.694 10.667 -10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.779 12.409 -10.104 1.00 0.00 H new ATOM 83 N PHE A 7 -5.207 12.166 -5.450 1.00 0.00 N ATOM 84 CA PHE A 7 -5.041 12.109 -3.998 1.00 0.00 C ATOM 85 C PHE A 7 -6.243 11.436 -3.344 1.00 0.00 C ATOM 86 O PHE A 7 -6.100 10.428 -2.649 1.00 0.00 O ATOM 87 CB PHE A 7 -4.853 13.517 -3.426 1.00 0.00 C ATOM 88 CG PHE A 7 -4.621 13.545 -1.938 1.00 0.00 C ATOM 89 CD1 PHE A 7 -3.806 12.604 -1.324 1.00 0.00 C ATOM 90 CD2 PHE A 7 -5.218 14.519 -1.152 1.00 0.00 C ATOM 91 CE1 PHE A 7 -3.594 12.635 0.041 1.00 0.00 C ATOM 92 CE2 PHE A 7 -5.010 14.553 0.214 1.00 0.00 C ATOM 93 CZ PHE A 7 -4.196 13.611 0.811 1.00 0.00 C ATOM 0 H PHE A 7 -5.205 13.109 -5.840 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.151 11.518 -3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.008 13.991 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.735 14.114 -3.658 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.332 11.838 -1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.854 15.260 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.958 11.896 0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.484 15.316 0.814 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.030 13.637 1.878 1.00 0.00 H new ATOM 103 N ASN A 8 -7.430 11.978 -3.596 1.00 0.00 N ATOM 104 CA ASN A 8 -8.653 11.414 -3.061 1.00 0.00 C ATOM 105 C ASN A 8 -8.871 10.036 -3.662 1.00 0.00 C ATOM 106 O ASN A 8 -9.428 9.138 -3.030 1.00 0.00 O ATOM 107 CB ASN A 8 -9.823 12.339 -3.380 1.00 0.00 C ATOM 108 CG ASN A 8 -11.121 11.591 -3.547 1.00 0.00 C ATOM 109 OD1 ASN A 8 -11.653 11.013 -2.600 1.00 0.00 O ATOM 110 ND2 ASN A 8 -11.628 11.589 -4.770 1.00 0.00 N ATOM 0 H ASN A 8 -7.566 12.810 -4.170 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.579 11.316 -1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.930 13.073 -2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.606 12.892 -4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.498 11.093 -4.960 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.148 12.084 -5.522 1.00 0.00 H new ATOM 117 N ASN A 9 -8.401 9.890 -4.894 1.00 0.00 N ATOM 118 CA ASN A 9 -8.497 8.639 -5.628 1.00 0.00 C ATOM 119 C ASN A 9 -7.832 7.524 -4.830 1.00 0.00 C ATOM 120 O ASN A 9 -8.365 6.420 -4.713 1.00 0.00 O ATOM 121 CB ASN A 9 -7.811 8.802 -6.986 1.00 0.00 C ATOM 122 CG ASN A 9 -8.080 7.670 -7.938 1.00 0.00 C ATOM 123 OD1 ASN A 9 -8.013 6.495 -7.576 1.00 0.00 O ATOM 124 ND2 ASN A 9 -8.353 8.029 -9.179 1.00 0.00 N ATOM 0 H ASN A 9 -7.942 10.639 -5.412 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.544 8.380 -5.783 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.143 9.735 -7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.735 8.888 -6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.520 7.318 -9.891 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.397 9.018 -9.426 1.00 0.00 H new ATOM 131 N ALA A 10 -6.669 7.838 -4.266 1.00 0.00 N ATOM 132 CA ALA A 10 -5.921 6.887 -3.455 1.00 0.00 C ATOM 133 C ALA A 10 -6.650 6.624 -2.142 1.00 0.00 C ATOM 134 O ALA A 10 -6.703 5.487 -1.662 1.00 0.00 O ATOM 135 CB ALA A 10 -4.518 7.411 -3.188 1.00 0.00 C ATOM 0 H ALA A 10 -6.223 8.751 -4.358 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.842 5.947 -4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.970 6.691 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.998 7.558 -4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.579 8.361 -2.657 1.00 0.00 H new ATOM 141 N ILE A 11 -7.213 7.687 -1.569 1.00 0.00 N ATOM 142 CA ILE A 11 -7.946 7.578 -0.314 1.00 0.00 C ATOM 143 C ILE A 11 -9.025 6.513 -0.421 1.00 0.00 C ATOM 144 O ILE A 11 -9.220 5.722 0.496 1.00 0.00 O ATOM 145 CB ILE A 11 -8.623 8.904 0.080 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.615 10.058 0.090 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.289 8.761 1.439 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.465 9.872 1.057 1.00 0.00 C ATOM 0 H ILE A 11 -7.174 8.630 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.215 7.312 0.450 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.384 9.137 -0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.213 10.182 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.139 10.981 0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.766 9.703 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.041 7.973 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.539 8.505 2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.799 10.733 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.854 9.780 2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.913 8.969 0.796 1.00 0.00 H new ATOM 160 N SER A 12 -9.724 6.507 -1.548 1.00 0.00 N ATOM 161 CA SER A 12 -10.790 5.544 -1.782 1.00 0.00 C ATOM 162 C SER A 12 -10.277 4.119 -1.622 1.00 0.00 C ATOM 163 O SER A 12 -10.977 3.255 -1.100 1.00 0.00 O ATOM 164 CB SER A 12 -11.381 5.733 -3.180 1.00 0.00 C ATOM 165 OG SER A 12 -11.878 7.050 -3.349 1.00 0.00 O ATOM 0 H SER A 12 -9.571 7.160 -2.316 1.00 0.00 H new ATOM 0 HA SER A 12 -11.571 5.716 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.618 5.529 -3.931 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.185 5.014 -3.339 1.00 0.00 H new ATOM 0 HG SER A 12 -11.128 7.677 -3.412 1.00 0.00 H new ATOM 171 N TYR A 13 -9.049 3.878 -2.073 1.00 0.00 N ATOM 172 CA TYR A 13 -8.451 2.555 -1.972 1.00 0.00 C ATOM 173 C TYR A 13 -8.247 2.162 -0.514 1.00 0.00 C ATOM 174 O TYR A 13 -8.762 1.144 -0.058 1.00 0.00 O ATOM 175 CB TYR A 13 -7.111 2.519 -2.706 1.00 0.00 C ATOM 176 CG TYR A 13 -6.451 1.159 -2.692 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.148 0.021 -3.081 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.131 1.012 -2.285 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.549 -1.223 -3.063 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.526 -0.230 -2.264 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.239 -1.344 -2.655 1.00 0.00 C ATOM 182 OH TYR A 13 -4.640 -2.582 -2.630 1.00 0.00 O ATOM 0 H TYR A 13 -8.452 4.580 -2.510 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.133 1.842 -2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.264 2.829 -3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.437 3.245 -2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.175 0.111 -3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.569 1.882 -1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.105 -2.097 -3.367 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.500 -0.328 -1.943 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.280 -3.261 -2.929 1.00 0.00 H new ATOM 192 N VAL A 14 -7.490 2.981 0.209 1.00 0.00 N ATOM 193 CA VAL A 14 -7.211 2.723 1.622 1.00 0.00 C ATOM 194 C VAL A 14 -8.497 2.651 2.439 1.00 0.00 C ATOM 195 O VAL A 14 -8.669 1.767 3.278 1.00 0.00 O ATOM 196 CB VAL A 14 -6.306 3.816 2.224 1.00 0.00 C ATOM 197 CG1 VAL A 14 -5.971 3.500 3.675 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.036 3.976 1.401 1.00 0.00 C ATOM 0 H VAL A 14 -7.058 3.829 -0.158 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.699 1.762 1.667 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.850 4.760 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.331 4.284 4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.891 3.445 4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.450 2.544 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.411 4.752 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.489 3.033 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.297 4.257 0.381 1.00 0.00 H new ATOM 208 N ASN A 15 -9.388 3.602 2.191 1.00 0.00 N ATOM 209 CA ASN A 15 -10.661 3.684 2.898 1.00 0.00 C ATOM 210 C ASN A 15 -11.498 2.438 2.661 1.00 0.00 C ATOM 211 O ASN A 15 -11.928 1.775 3.604 1.00 0.00 O ATOM 212 CB ASN A 15 -11.422 4.912 2.418 1.00 0.00 C ATOM 213 CG ASN A 15 -12.514 5.343 3.375 1.00 0.00 C ATOM 214 OD1 ASN A 15 -12.331 5.328 4.593 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.643 5.767 2.825 1.00 0.00 N ATOM 0 H ASN A 15 -9.250 4.336 1.497 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.462 3.762 3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.722 5.736 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.863 4.702 1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.405 6.099 3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.750 5.761 1.811 1.00 0.00 H new ATOM 222 N LYS A 16 -11.718 2.129 1.391 1.00 0.00 N ATOM 223 CA LYS A 16 -12.501 0.956 1.010 1.00 0.00 C ATOM 224 C LYS A 16 -11.939 -0.292 1.680 1.00 0.00 C ATOM 225 O LYS A 16 -12.684 -1.173 2.101 1.00 0.00 O ATOM 226 CB LYS A 16 -12.498 0.774 -0.509 1.00 0.00 C ATOM 227 CG LYS A 16 -13.353 -0.391 -0.983 1.00 0.00 C ATOM 228 CD LYS A 16 -13.262 -0.572 -2.488 1.00 0.00 C ATOM 229 CE LYS A 16 -14.099 -1.751 -2.959 1.00 0.00 C ATOM 230 NZ LYS A 16 -14.023 -1.931 -4.436 1.00 0.00 N ATOM 0 H LYS A 16 -11.366 2.674 0.604 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.528 1.109 1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.856 1.691 -0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.473 0.623 -0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.031 -1.306 -0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.391 -0.221 -0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.599 0.337 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.222 -0.725 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.757 -2.660 -2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.138 -1.600 -2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.433 -2.851 -4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.554 -1.170 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.029 -1.898 -4.739 1.00 0.00 H new ATOM 244 N ILE A 17 -10.618 -0.350 1.784 1.00 0.00 N ATOM 245 CA ILE A 17 -9.953 -1.478 2.420 1.00 0.00 C ATOM 246 C ILE A 17 -10.319 -1.533 3.898 1.00 0.00 C ATOM 247 O ILE A 17 -10.497 -2.610 4.468 1.00 0.00 O ATOM 248 CB ILE A 17 -8.421 -1.383 2.263 1.00 0.00 C ATOM 249 CG1 ILE A 17 -8.038 -1.545 0.791 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.723 -2.430 3.120 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.574 -1.285 0.513 1.00 0.00 C ATOM 0 H ILE A 17 -9.986 0.371 1.436 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.290 -2.390 1.928 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.095 -0.401 2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.286 -2.556 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.640 -0.863 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.644 -2.344 2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.979 -2.272 4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.046 -3.425 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.376 -1.419 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.324 -0.264 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.965 -1.984 1.086 1.00 0.00 H new ATOM 263 N LYS A 18 -10.436 -0.356 4.506 1.00 0.00 N ATOM 264 CA LYS A 18 -10.789 -0.249 5.914 1.00 0.00 C ATOM 265 C LYS A 18 -12.209 -0.761 6.148 1.00 0.00 C ATOM 266 O LYS A 18 -12.454 -1.550 7.060 1.00 0.00 O ATOM 267 CB LYS A 18 -10.674 1.204 6.375 1.00 0.00 C ATOM 268 CG LYS A 18 -10.711 1.371 7.887 1.00 0.00 C ATOM 269 CD LYS A 18 -10.374 2.794 8.302 1.00 0.00 C ATOM 270 CE LYS A 18 -11.365 3.796 7.733 1.00 0.00 C ATOM 271 NZ LYS A 18 -12.745 3.557 8.234 1.00 0.00 N ATOM 0 H LYS A 18 -10.290 0.540 4.041 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.098 -0.861 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.743 1.624 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.487 1.781 5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.702 1.108 8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.004 0.680 8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.370 2.864 9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.369 3.044 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.052 4.806 7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.358 3.735 6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.352 4.361 7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.124 2.687 7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.726 3.455 9.269 1.00 0.00 H new ATOM 285 N THR A 19 -13.140 -0.308 5.309 1.00 0.00 N ATOM 286 CA THR A 19 -14.536 -0.720 5.413 1.00 0.00 C ATOM 287 C THR A 19 -14.703 -2.173 4.988 1.00 0.00 C ATOM 288 O THR A 19 -15.620 -2.863 5.434 1.00 0.00 O ATOM 289 CB THR A 19 -15.462 0.171 4.558 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.831 -0.118 4.860 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.216 -0.047 3.073 1.00 0.00 C ATOM 0 H THR A 19 -12.950 0.345 4.549 1.00 0.00 H new ATOM 0 HA THR A 19 -14.822 -0.611 6.459 1.00 0.00 H new ATOM 0 HB THR A 19 -15.242 1.212 4.797 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.413 0.452 4.315 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.883 0.594 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.181 0.199 2.836 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.408 -1.090 2.822 1.00 0.00 H new ATOM 299 N ARG A 20 -13.809 -2.633 4.122 1.00 0.00 N ATOM 300 CA ARG A 20 -13.855 -4.006 3.644 1.00 0.00 C ATOM 301 C ARG A 20 -13.604 -4.975 4.793 1.00 0.00 C ATOM 302 O ARG A 20 -14.433 -5.835 5.090 1.00 0.00 O ATOM 303 CB ARG A 20 -12.812 -4.216 2.540 1.00 0.00 C ATOM 304 CG ARG A 20 -12.664 -5.664 2.106 1.00 0.00 C ATOM 305 CD ARG A 20 -13.993 -6.254 1.673 1.00 0.00 C ATOM 306 NE ARG A 20 -14.555 -5.554 0.521 1.00 0.00 N ATOM 307 CZ ARG A 20 -15.706 -5.887 -0.056 1.00 0.00 C ATOM 308 NH1 ARG A 20 -16.413 -6.908 0.409 1.00 0.00 N ATOM 309 NH2 ARG A 20 -16.150 -5.199 -1.100 1.00 0.00 N ATOM 0 H ARG A 20 -13.046 -2.076 3.738 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.846 -4.199 3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.086 -3.613 1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.847 -3.851 2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.952 -5.727 1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.255 -6.251 2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.859 -7.307 1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.697 -6.208 2.504 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.035 -4.765 0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.074 -7.440 1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.296 -7.162 -0.035 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.608 -4.414 -1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.033 -5.455 -1.542 1.00 0.00 H new ATOM 323 N PHE A 21 -12.454 -4.820 5.434 1.00 0.00 N ATOM 324 CA PHE A 21 -12.078 -5.669 6.554 1.00 0.00 C ATOM 325 C PHE A 21 -12.451 -5.027 7.892 1.00 0.00 C ATOM 326 O PHE A 21 -11.641 -5.006 8.819 1.00 0.00 O ATOM 327 CB PHE A 21 -10.577 -5.950 6.528 1.00 0.00 C ATOM 328 CG PHE A 21 -10.097 -6.628 5.274 1.00 0.00 C ATOM 329 CD1 PHE A 21 -9.880 -5.903 4.114 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.855 -7.991 5.263 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.428 -6.527 2.966 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.404 -8.621 4.121 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.188 -7.889 2.969 1.00 0.00 C ATOM 0 H PHE A 21 -11.762 -4.110 5.195 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.627 -6.605 6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.041 -5.009 6.646 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.321 -6.573 7.385 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.066 -4.839 4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.021 -8.569 6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.262 -5.951 2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.220 -9.685 4.128 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.833 -8.379 2.074 1.00 0.00 H new ATOM 343 N LEU A 22 -13.673 -4.507 7.996 1.00 0.00 N ATOM 344 CA LEU A 22 -14.123 -3.879 9.236 1.00 0.00 C ATOM 345 C LEU A 22 -13.982 -4.841 10.413 1.00 0.00 C ATOM 346 O LEU A 22 -13.563 -4.448 11.502 1.00 0.00 O ATOM 347 CB LEU A 22 -15.575 -3.408 9.112 1.00 0.00 C ATOM 348 CG LEU A 22 -15.786 -2.169 8.242 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.271 -1.904 8.042 1.00 0.00 C ATOM 350 CD2 LEU A 22 -15.110 -0.958 8.867 1.00 0.00 C ATOM 0 H LEU A 22 -14.363 -4.508 7.245 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.491 -3.010 9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.171 -4.224 8.704 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.959 -3.201 10.111 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.334 -2.352 7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.402 -1.018 7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.731 -2.762 7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.745 -1.741 9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -15.270 -0.085 8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.534 -0.774 9.854 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.041 -1.146 8.961 1.00 0.00 H new ATOM 362 N ASP A 23 -14.320 -6.107 10.181 1.00 0.00 N ATOM 363 CA ASP A 23 -14.217 -7.130 11.210 1.00 0.00 C ATOM 364 C ASP A 23 -12.779 -7.613 11.327 1.00 0.00 C ATOM 365 O ASP A 23 -12.388 -8.208 12.331 1.00 0.00 O ATOM 366 CB ASP A 23 -15.140 -8.303 10.889 1.00 0.00 C ATOM 367 CG ASP A 23 -16.592 -7.883 10.772 1.00 0.00 C ATOM 368 OD1 ASP A 23 -16.898 -7.042 9.900 1.00 0.00 O ATOM 369 OD2 ASP A 23 -17.423 -8.394 11.551 1.00 0.00 O ATOM 0 H ASP A 23 -14.669 -6.447 9.285 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.523 -6.697 12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.823 -8.766 9.955 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.045 -9.060 11.668 1.00 0.00 H new ATOM 374 N HIS A 24 -12.003 -7.359 10.277 1.00 0.00 N ATOM 375 CA HIS A 24 -10.607 -7.764 10.227 1.00 0.00 C ATOM 376 C HIS A 24 -9.671 -6.552 10.303 1.00 0.00 C ATOM 377 O HIS A 24 -9.075 -6.158 9.301 1.00 0.00 O ATOM 378 CB HIS A 24 -10.346 -8.544 8.939 1.00 0.00 C ATOM 379 CG HIS A 24 -11.142 -9.799 8.824 1.00 0.00 C ATOM 380 ND1 HIS A 24 -11.345 -10.470 7.637 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.762 -10.516 9.772 1.00 0.00 C ATOM 382 CE1 HIS A 24 -12.067 -11.554 7.868 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.333 -11.604 9.160 1.00 0.00 N ATOM 0 H HIS A 24 -12.325 -6.869 9.442 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.404 -8.399 11.089 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.570 -7.904 8.086 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.286 -8.791 8.883 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.804 -10.281 10.825 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.384 -12.274 7.128 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -12.874 -12.332 9.627 1.00 0.00 H new ATOM 392 N PRO A 25 -9.529 -5.940 11.493 1.00 0.00 N ATOM 393 CA PRO A 25 -8.659 -4.770 11.683 1.00 0.00 C ATOM 394 C PRO A 25 -7.188 -5.088 11.433 1.00 0.00 C ATOM 395 O PRO A 25 -6.442 -4.252 10.922 1.00 0.00 O ATOM 396 CB PRO A 25 -8.882 -4.391 13.147 1.00 0.00 C ATOM 397 CG PRO A 25 -9.370 -5.640 13.792 1.00 0.00 C ATOM 398 CD PRO A 25 -10.195 -6.332 12.747 1.00 0.00 C ATOM 0 HA PRO A 25 -8.898 -3.971 10.981 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.959 -4.041 13.610 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.611 -3.586 13.241 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.538 -6.266 14.114 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.964 -5.418 14.678 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.196 -7.413 12.883 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.235 -6.006 12.772 1.00 0.00 H new ATOM 406 N GLU A 26 -6.777 -6.297 11.805 1.00 0.00 N ATOM 407 CA GLU A 26 -5.393 -6.733 11.631 1.00 0.00 C ATOM 408 C GLU A 26 -4.919 -6.527 10.194 1.00 0.00 C ATOM 409 O GLU A 26 -3.760 -6.188 9.955 1.00 0.00 O ATOM 410 CB GLU A 26 -5.252 -8.205 12.018 1.00 0.00 C ATOM 411 CG GLU A 26 -6.146 -9.135 11.213 1.00 0.00 C ATOM 412 CD GLU A 26 -5.979 -10.590 11.607 1.00 0.00 C ATOM 413 OE1 GLU A 26 -6.223 -10.918 12.786 1.00 0.00 O ATOM 414 OE2 GLU A 26 -5.603 -11.401 10.734 1.00 0.00 O ATOM 0 H GLU A 26 -7.385 -6.996 12.231 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.768 -6.124 12.284 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.214 -8.509 11.886 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.485 -8.317 13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.187 -8.842 11.351 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.921 -9.021 10.153 1.00 0.00 H new ATOM 421 N ILE A 27 -5.821 -6.740 9.241 1.00 0.00 N ATOM 422 CA ILE A 27 -5.493 -6.583 7.827 1.00 0.00 C ATOM 423 C ILE A 27 -5.148 -5.133 7.512 1.00 0.00 C ATOM 424 O ILE A 27 -4.144 -4.845 6.860 1.00 0.00 O ATOM 425 CB ILE A 27 -6.673 -6.991 6.925 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.548 -8.044 7.610 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.164 -7.495 5.581 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.974 -9.441 7.643 1.00 0.00 C ATOM 0 H ILE A 27 -6.785 -7.022 9.421 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.639 -7.231 7.630 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.291 -6.110 6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.738 -7.723 8.634 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.512 -8.077 7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.010 -7.779 4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.597 -6.706 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.521 -8.361 5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.671 -10.109 8.149 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.811 -9.791 6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.025 -9.432 8.180 1.00 0.00 H new ATOM 440 N TYR A 28 -6.005 -4.228 7.976 1.00 0.00 N ATOM 441 CA TYR A 28 -5.827 -2.797 7.752 1.00 0.00 C ATOM 442 C TYR A 28 -4.478 -2.322 8.280 1.00 0.00 C ATOM 443 O TYR A 28 -3.718 -1.668 7.567 1.00 0.00 O ATOM 444 CB TYR A 28 -6.957 -2.031 8.435 1.00 0.00 C ATOM 445 CG TYR A 28 -6.944 -0.542 8.185 1.00 0.00 C ATOM 446 CD1 TYR A 28 -7.123 -0.038 6.907 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.756 0.355 9.227 1.00 0.00 C ATOM 448 CE1 TYR A 28 -7.116 1.324 6.670 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.749 1.718 9.001 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.929 2.197 7.721 1.00 0.00 C ATOM 451 OH TYR A 28 -6.920 3.553 7.490 1.00 0.00 O ATOM 0 H TYR A 28 -6.838 -4.464 8.515 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.853 -2.608 6.679 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.910 -2.435 8.095 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.901 -2.207 9.509 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.270 -0.720 6.083 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.613 -0.018 10.230 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.256 1.702 5.668 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.603 2.404 9.822 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.778 4.028 8.335 1.00 0.00 H new ATOM 461 N ARG A 29 -4.190 -2.655 9.533 1.00 0.00 N ATOM 462 CA ARG A 29 -2.938 -2.267 10.168 1.00 0.00 C ATOM 463 C ARG A 29 -1.734 -2.764 9.378 1.00 0.00 C ATOM 464 O ARG A 29 -0.846 -1.987 9.024 1.00 0.00 O ATOM 465 CB ARG A 29 -2.886 -2.838 11.583 1.00 0.00 C ATOM 466 CG ARG A 29 -3.935 -2.260 12.518 1.00 0.00 C ATOM 467 CD ARG A 29 -3.699 -0.780 12.785 1.00 0.00 C ATOM 468 NE ARG A 29 -4.685 -0.225 13.709 1.00 0.00 N ATOM 469 CZ ARG A 29 -4.821 -0.622 14.973 1.00 0.00 C ATOM 470 NH1 ARG A 29 -4.026 -1.562 15.468 1.00 0.00 N ATOM 471 NH2 ARG A 29 -5.751 -0.076 15.744 1.00 0.00 N ATOM 0 H ARG A 29 -4.812 -3.197 10.132 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.898 -1.178 10.199 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.014 -3.919 11.533 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.897 -2.653 12.003 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.925 -2.398 12.083 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.922 -2.806 13.461 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.699 -0.641 13.196 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.736 -0.232 11.844 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.305 0.509 13.366 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.307 -1.984 14.880 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.134 -1.863 16.437 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.363 0.649 15.369 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.854 -0.381 16.712 1.00 0.00 H new ATOM 485 N SER A 30 -1.707 -4.066 9.120 1.00 0.00 N ATOM 486 CA SER A 30 -0.608 -4.685 8.385 1.00 0.00 C ATOM 487 C SER A 30 -0.351 -3.978 7.056 1.00 0.00 C ATOM 488 O SER A 30 0.788 -3.636 6.742 1.00 0.00 O ATOM 489 CB SER A 30 -0.904 -6.165 8.143 1.00 0.00 C ATOM 490 OG SER A 30 -1.056 -6.864 9.367 1.00 0.00 O ATOM 0 H SER A 30 -2.437 -4.717 9.410 1.00 0.00 H new ATOM 0 HA SER A 30 0.292 -4.591 8.992 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.813 -6.265 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.095 -6.611 7.565 1.00 0.00 H new ATOM 0 HG SER A 30 -1.963 -6.726 9.712 1.00 0.00 H new ATOM 496 N PHE A 31 -1.410 -3.763 6.278 1.00 0.00 N ATOM 497 CA PHE A 31 -1.288 -3.096 4.981 1.00 0.00 C ATOM 498 C PHE A 31 -0.573 -1.754 5.122 1.00 0.00 C ATOM 499 O PHE A 31 0.375 -1.459 4.387 1.00 0.00 O ATOM 500 CB PHE A 31 -2.673 -2.881 4.363 1.00 0.00 C ATOM 501 CG PHE A 31 -2.656 -2.004 3.144 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.047 -2.432 1.975 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.243 -0.749 3.171 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.025 -1.624 0.854 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.224 0.063 2.054 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.616 -0.376 0.893 1.00 0.00 C ATOM 0 H PHE A 31 -2.361 -4.040 6.521 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.697 -3.737 4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.098 -3.849 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.331 -2.438 5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.585 -3.407 1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.721 -0.402 4.075 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.546 -1.968 -0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.684 1.040 2.088 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.603 0.256 0.017 1.00 0.00 H new ATOM 516 N LEU A 32 -1.032 -0.947 6.070 1.00 0.00 N ATOM 517 CA LEU A 32 -0.439 0.360 6.310 1.00 0.00 C ATOM 518 C LEU A 32 1.041 0.213 6.635 1.00 0.00 C ATOM 519 O LEU A 32 1.870 0.999 6.175 1.00 0.00 O ATOM 520 CB LEU A 32 -1.174 1.069 7.450 1.00 0.00 C ATOM 521 CG LEU A 32 -2.691 1.157 7.278 1.00 0.00 C ATOM 522 CD1 LEU A 32 -3.311 1.983 8.391 1.00 0.00 C ATOM 523 CD2 LEU A 32 -3.044 1.736 5.919 1.00 0.00 C ATOM 0 H LEU A 32 -1.813 -1.176 6.685 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.535 0.964 5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.958 0.548 8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.774 2.078 7.549 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.099 0.148 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.391 2.033 8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.092 1.520 9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.896 2.991 8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.128 1.790 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.621 2.736 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.637 1.098 5.135 1.00 0.00 H new ATOM 535 N GLU A 33 1.366 -0.814 7.413 1.00 0.00 N ATOM 536 CA GLU A 33 2.747 -1.088 7.783 1.00 0.00 C ATOM 537 C GLU A 33 3.549 -1.498 6.555 1.00 0.00 C ATOM 538 O GLU A 33 4.750 -1.257 6.485 1.00 0.00 O ATOM 539 CB GLU A 33 2.808 -2.190 8.845 1.00 0.00 C ATOM 540 CG GLU A 33 4.221 -2.524 9.302 1.00 0.00 C ATOM 541 CD GLU A 33 4.900 -1.368 10.016 1.00 0.00 C ATOM 542 OE1 GLU A 33 4.252 -0.316 10.201 1.00 0.00 O ATOM 543 OE2 GLU A 33 6.080 -1.519 10.396 1.00 0.00 O ATOM 0 H GLU A 33 0.689 -1.471 7.800 1.00 0.00 H new ATOM 0 HA GLU A 33 3.181 -0.179 8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.220 -1.882 9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.342 -3.091 8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.188 -3.386 9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.819 -2.812 8.437 1.00 0.00 H new ATOM 550 N ILE A 34 2.874 -2.115 5.587 1.00 0.00 N ATOM 551 CA ILE A 34 3.528 -2.547 4.356 1.00 0.00 C ATOM 552 C ILE A 34 4.095 -1.353 3.605 1.00 0.00 C ATOM 553 O ILE A 34 5.302 -1.267 3.372 1.00 0.00 O ATOM 554 CB ILE A 34 2.551 -3.289 3.440 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.068 -4.560 4.127 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.210 -3.607 2.104 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.033 -5.306 3.332 1.00 0.00 C ATOM 0 H ILE A 34 1.877 -2.326 5.632 1.00 0.00 H new ATOM 0 HA ILE A 34 4.336 -3.223 4.638 1.00 0.00 H new ATOM 0 HB ILE A 34 1.690 -2.651 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.921 -5.215 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.653 -4.303 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.502 -4.134 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.515 -2.680 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.085 -4.235 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.731 -6.201 3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.164 -4.667 3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.452 -5.592 2.367 1.00 0.00 H new ATOM 569 N LEU A 35 3.216 -0.424 3.243 1.00 0.00 N ATOM 570 CA LEU A 35 3.632 0.778 2.534 1.00 0.00 C ATOM 571 C LEU A 35 4.622 1.555 3.396 1.00 0.00 C ATOM 572 O LEU A 35 5.614 2.100 2.903 1.00 0.00 O ATOM 573 CB LEU A 35 2.417 1.646 2.194 1.00 0.00 C ATOM 574 CG LEU A 35 1.370 0.979 1.293 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.143 1.868 1.155 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.957 0.669 -0.078 1.00 0.00 C ATOM 0 H LEU A 35 2.215 -0.481 3.429 1.00 0.00 H new ATOM 0 HA LEU A 35 4.116 0.496 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.934 1.947 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.766 2.556 1.706 1.00 0.00 H new ATOM 0 HG LEU A 35 1.069 0.040 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.590 1.380 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.294 2.040 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.433 2.822 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.197 0.196 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.289 1.594 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.806 -0.006 0.034 1.00 0.00 H new ATOM 588 N HIS A 36 4.348 1.572 4.699 1.00 0.00 N ATOM 589 CA HIS A 36 5.207 2.246 5.661 1.00 0.00 C ATOM 590 C HIS A 36 6.609 1.648 5.626 1.00 0.00 C ATOM 591 O HIS A 36 7.604 2.370 5.646 1.00 0.00 O ATOM 592 CB HIS A 36 4.612 2.126 7.068 1.00 0.00 C ATOM 593 CG HIS A 36 4.054 3.411 7.594 1.00 0.00 C ATOM 594 ND1 HIS A 36 4.800 4.566 7.707 1.00 0.00 N ATOM 595 CD2 HIS A 36 2.816 3.718 8.042 1.00 0.00 C ATOM 596 CE1 HIS A 36 4.042 5.529 8.204 1.00 0.00 C ATOM 597 NE2 HIS A 36 2.834 5.040 8.415 1.00 0.00 N ATOM 0 H HIS A 36 3.531 1.122 5.112 1.00 0.00 H new ATOM 0 HA HIS A 36 5.274 3.301 5.396 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.823 1.374 7.057 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.383 1.768 7.750 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.970 3.049 8.097 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.357 6.543 8.403 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.042 5.560 8.794 1.00 0.00 H new ATOM 606 N THR A 37 6.671 0.320 5.556 1.00 0.00 N ATOM 607 CA THR A 37 7.942 -0.394 5.500 1.00 0.00 C ATOM 608 C THR A 37 8.729 0.022 4.267 1.00 0.00 C ATOM 609 O THR A 37 9.948 0.180 4.317 1.00 0.00 O ATOM 610 CB THR A 37 7.730 -1.923 5.471 1.00 0.00 C ATOM 611 OG1 THR A 37 7.096 -2.352 6.681 1.00 0.00 O ATOM 612 CG2 THR A 37 9.052 -2.659 5.298 1.00 0.00 C ATOM 0 H THR A 37 5.850 -0.285 5.537 1.00 0.00 H new ATOM 0 HA THR A 37 8.500 -0.135 6.400 1.00 0.00 H new ATOM 0 HB THR A 37 7.092 -2.158 4.620 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.123 -2.336 6.564 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.871 -3.734 5.281 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.518 -2.355 4.361 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.715 -2.416 6.128 1.00 0.00 H new ATOM 620 N TYR A 38 8.013 0.205 3.164 1.00 0.00 N ATOM 621 CA TYR A 38 8.627 0.613 1.912 1.00 0.00 C ATOM 622 C TYR A 38 9.425 1.894 2.098 1.00 0.00 C ATOM 623 O TYR A 38 10.627 1.933 1.845 1.00 0.00 O ATOM 624 CB TYR A 38 7.546 0.839 0.860 1.00 0.00 C ATOM 625 CG TYR A 38 8.067 1.469 -0.406 1.00 0.00 C ATOM 626 CD1 TYR A 38 8.975 0.803 -1.215 1.00 0.00 C ATOM 627 CD2 TYR A 38 7.654 2.738 -0.786 1.00 0.00 C ATOM 628 CE1 TYR A 38 9.460 1.383 -2.371 1.00 0.00 C ATOM 629 CE2 TYR A 38 8.133 3.328 -1.939 1.00 0.00 C ATOM 630 CZ TYR A 38 9.036 2.646 -2.729 1.00 0.00 C ATOM 631 OH TYR A 38 9.518 3.229 -3.878 1.00 0.00 O ATOM 0 H TYR A 38 7.002 0.076 3.114 1.00 0.00 H new ATOM 0 HA TYR A 38 9.302 -0.177 1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.080 -0.116 0.617 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.767 1.476 1.280 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.309 -0.186 -0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.946 3.273 -0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.167 0.851 -2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.803 4.317 -2.221 1.00 0.00 H new ATOM 0 HH TYR A 38 9.119 4.118 -3.986 1.00 0.00 H new ATOM 641 N GLN A 39 8.737 2.940 2.538 1.00 0.00 N ATOM 642 CA GLN A 39 9.371 4.237 2.755 1.00 0.00 C ATOM 643 C GLN A 39 10.569 4.139 3.697 1.00 0.00 C ATOM 644 O GLN A 39 11.575 4.815 3.494 1.00 0.00 O ATOM 645 CB GLN A 39 8.362 5.242 3.302 1.00 0.00 C ATOM 646 CG GLN A 39 7.450 5.818 2.237 1.00 0.00 C ATOM 647 CD GLN A 39 8.205 6.664 1.231 1.00 0.00 C ATOM 648 OE1 GLN A 39 9.022 6.159 0.462 1.00 0.00 O ATOM 649 NE2 GLN A 39 7.942 7.963 1.243 1.00 0.00 N ATOM 0 H GLN A 39 7.740 2.917 2.752 1.00 0.00 H new ATOM 0 HA GLN A 39 9.735 4.581 1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.755 4.757 4.067 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.899 6.056 3.790 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.943 5.005 1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.678 6.424 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.256 8.339 1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.425 8.587 0.597 1.00 0.00 H new ATOM 658 N LYS A 40 10.453 3.304 4.730 1.00 0.00 N ATOM 659 CA LYS A 40 11.533 3.134 5.704 1.00 0.00 C ATOM 660 C LYS A 40 12.877 2.938 5.006 1.00 0.00 C ATOM 661 O LYS A 40 13.888 3.509 5.414 1.00 0.00 O ATOM 662 CB LYS A 40 11.253 1.942 6.622 1.00 0.00 C ATOM 663 CG LYS A 40 9.977 2.079 7.436 1.00 0.00 C ATOM 664 CD LYS A 40 9.769 0.882 8.348 1.00 0.00 C ATOM 665 CE LYS A 40 8.421 0.942 9.048 1.00 0.00 C ATOM 666 NZ LYS A 40 8.269 2.183 9.858 1.00 0.00 N ATOM 0 H LYS A 40 9.626 2.737 4.914 1.00 0.00 H new ATOM 0 HA LYS A 40 11.579 4.043 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.192 1.037 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.095 1.814 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.021 2.990 8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.124 2.179 6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.837 -0.037 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.565 0.847 9.092 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.624 0.893 8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.308 0.071 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.408 2.116 10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.096 2.296 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.198 3.005 9.224 1.00 0.00 H new ATOM 680 N GLU A 41 12.878 2.127 3.955 1.00 0.00 N ATOM 681 CA GLU A 41 14.095 1.855 3.200 1.00 0.00 C ATOM 682 C GLU A 41 14.529 3.079 2.397 1.00 0.00 C ATOM 683 O GLU A 41 15.706 3.440 2.383 1.00 0.00 O ATOM 684 CB GLU A 41 13.878 0.667 2.259 1.00 0.00 C ATOM 685 CG GLU A 41 15.108 0.296 1.444 1.00 0.00 C ATOM 686 CD GLU A 41 16.254 -0.212 2.301 1.00 0.00 C ATOM 687 OE1 GLU A 41 16.077 -0.319 3.533 1.00 0.00 O ATOM 688 OE2 GLU A 41 17.328 -0.509 1.737 1.00 0.00 O ATOM 0 H GLU A 41 12.049 1.646 3.606 1.00 0.00 H new ATOM 0 HA GLU A 41 14.885 1.613 3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.568 -0.198 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.059 0.900 1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.838 -0.469 0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.441 1.168 0.881 1.00 0.00 H new ATOM 695 N GLN A 42 13.571 3.707 1.720 1.00 0.00 N ATOM 696 CA GLN A 42 13.842 4.877 0.903 1.00 0.00 C ATOM 697 C GLN A 42 14.005 6.144 1.740 1.00 0.00 C ATOM 698 O GLN A 42 13.908 7.254 1.217 1.00 0.00 O ATOM 699 CB GLN A 42 12.714 5.073 -0.101 1.00 0.00 C ATOM 700 CG GLN A 42 12.905 4.319 -1.410 1.00 0.00 C ATOM 701 CD GLN A 42 12.752 2.817 -1.273 1.00 0.00 C ATOM 702 OE1 GLN A 42 13.037 2.067 -2.207 1.00 0.00 O ATOM 703 NE2 GLN A 42 12.280 2.366 -0.119 1.00 0.00 N ATOM 0 H GLN A 42 12.593 3.418 1.725 1.00 0.00 H new ATOM 0 HA GLN A 42 14.785 4.701 0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.777 4.754 0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.617 6.137 -0.318 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.182 4.684 -2.139 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.896 4.540 -1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.056 3.020 0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.141 1.365 0.019 1.00 0.00 H new ATOM 712 N LEU A 43 14.263 5.982 3.033 1.00 0.00 N ATOM 713 CA LEU A 43 14.450 7.131 3.917 1.00 0.00 C ATOM 714 C LEU A 43 15.840 7.740 3.744 1.00 0.00 C ATOM 715 O LEU A 43 16.401 8.308 4.681 1.00 0.00 O ATOM 716 CB LEU A 43 14.234 6.736 5.378 1.00 0.00 C ATOM 717 CG LEU A 43 12.793 6.389 5.754 1.00 0.00 C ATOM 718 CD1 LEU A 43 12.701 6.008 7.224 1.00 0.00 C ATOM 719 CD2 LEU A 43 11.863 7.556 5.447 1.00 0.00 C ATOM 0 H LEU A 43 14.347 5.075 3.491 1.00 0.00 H new ATOM 0 HA LEU A 43 13.707 7.880 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.868 5.878 5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.571 7.556 6.013 1.00 0.00 H new ATOM 0 HG LEU A 43 12.480 5.533 5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.668 5.764 7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.334 5.142 7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.035 6.844 7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.842 7.290 5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.176 8.430 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.905 7.784 4.382 1.00 0.00 H new ATOM 731 N HIS A 44 16.382 7.624 2.535 1.00 0.00 N ATOM 732 CA HIS A 44 17.699 8.161 2.218 1.00 0.00 C ATOM 733 C HIS A 44 17.615 9.034 0.966 1.00 0.00 C ATOM 734 O HIS A 44 16.769 9.925 0.881 1.00 0.00 O ATOM 735 CB HIS A 44 18.705 7.021 2.000 1.00 0.00 C ATOM 736 CG HIS A 44 19.035 6.232 3.234 1.00 0.00 C ATOM 737 ND1 HIS A 44 19.863 5.128 3.214 1.00 0.00 N ATOM 738 CD2 HIS A 44 18.659 6.392 4.525 1.00 0.00 C ATOM 739 CE1 HIS A 44 19.979 4.644 4.438 1.00 0.00 C ATOM 740 NE2 HIS A 44 19.259 5.393 5.252 1.00 0.00 N ATOM 0 H HIS A 44 15.923 7.158 1.753 1.00 0.00 H new ATOM 0 HA HIS A 44 18.041 8.769 3.056 1.00 0.00 H new ATOM 0 HB2 HIS A 44 18.306 6.342 1.247 1.00 0.00 H new ATOM 0 HB3 HIS A 44 19.626 7.440 1.596 1.00 0.00 H new ATOM 0 HD2 HIS A 44 18.008 7.162 4.911 1.00 0.00 H new ATOM 0 HE1 HIS A 44 20.564 3.782 4.724 1.00 0.00 H new ATOM 0 HE2 HIS A 44 19.164 5.253 6.258 1.00 0.00 H new ATOM 749 N THR A 45 18.481 8.766 -0.009 1.00 0.00 N ATOM 750 CA THR A 45 18.486 9.518 -1.256 1.00 0.00 C ATOM 751 C THR A 45 18.856 8.608 -2.420 1.00 0.00 C ATOM 752 O THR A 45 19.586 9.004 -3.328 1.00 0.00 O ATOM 753 CB THR A 45 19.475 10.701 -1.206 1.00 0.00 C ATOM 754 OG1 THR A 45 20.797 10.225 -0.928 1.00 0.00 O ATOM 755 CG2 THR A 45 19.064 11.714 -0.148 1.00 0.00 C ATOM 0 H THR A 45 19.188 8.032 0.043 1.00 0.00 H new ATOM 0 HA THR A 45 17.481 9.914 -1.398 1.00 0.00 H new ATOM 0 HB THR A 45 19.462 11.193 -2.179 1.00 0.00 H new ATOM 0 HG1 THR A 45 21.418 10.982 -0.900 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.779 12.537 -0.135 1.00 0.00 H new ATOM 0 HG22 THR A 45 18.071 12.100 -0.380 1.00 0.00 H new ATOM 0 HG23 THR A 45 19.047 11.232 0.830 1.00 0.00 H new ATOM 763 N LYS A 46 18.341 7.382 -2.377 1.00 0.00 N ATOM 764 CA LYS A 46 18.604 6.387 -3.412 1.00 0.00 C ATOM 765 C LYS A 46 17.448 5.399 -3.513 1.00 0.00 C ATOM 766 O LYS A 46 16.821 5.058 -2.510 1.00 0.00 O ATOM 767 CB LYS A 46 19.900 5.624 -3.111 1.00 0.00 C ATOM 768 CG LYS A 46 21.157 6.476 -3.177 1.00 0.00 C ATOM 769 CD LYS A 46 21.420 6.980 -4.587 1.00 0.00 C ATOM 770 CE LYS A 46 22.685 7.818 -4.653 1.00 0.00 C ATOM 771 NZ LYS A 46 22.963 8.298 -6.035 1.00 0.00 N ATOM 0 H LYS A 46 17.733 7.052 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 46 18.710 6.912 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 46 19.826 5.183 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.996 4.800 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 46 21.058 7.324 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.011 5.892 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 46 21.508 6.132 -5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 46 20.571 7.574 -4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.589 8.673 -3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.530 7.228 -4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 23.834 8.866 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 23.080 7.482 -6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.169 8.882 -6.366 1.00 0.00 H new ATOM 785 N GLY A 47 17.174 4.938 -4.729 1.00 0.00 N ATOM 786 CA GLY A 47 16.097 3.988 -4.938 1.00 0.00 C ATOM 787 C GLY A 47 16.371 3.058 -6.100 1.00 0.00 C ATOM 788 O GLY A 47 15.453 2.646 -6.809 1.00 0.00 O ATOM 0 H GLY A 47 17.679 5.206 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.952 3.401 -4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.168 4.529 -5.119 1.00 0.00 H new ATOM 792 N ARG A 48 17.642 2.721 -6.288 1.00 0.00 N ATOM 793 CA ARG A 48 18.052 1.826 -7.361 1.00 0.00 C ATOM 794 C ARG A 48 17.819 0.371 -6.967 1.00 0.00 C ATOM 795 O ARG A 48 17.932 0.012 -5.795 1.00 0.00 O ATOM 796 CB ARG A 48 19.525 2.048 -7.699 1.00 0.00 C ATOM 797 CG ARG A 48 19.840 3.475 -8.115 1.00 0.00 C ATOM 798 CD ARG A 48 21.315 3.653 -8.425 1.00 0.00 C ATOM 799 NE ARG A 48 21.745 2.811 -9.539 1.00 0.00 N ATOM 800 CZ ARG A 48 22.984 2.801 -10.019 1.00 0.00 C ATOM 801 NH1 ARG A 48 23.913 3.585 -9.488 1.00 0.00 N ATOM 802 NH2 ARG A 48 23.296 2.005 -11.033 1.00 0.00 N ATOM 0 H ARG A 48 18.410 3.057 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 48 17.449 2.047 -8.242 1.00 0.00 H new ATOM 0 HB2 ARG A 48 20.132 1.788 -6.832 1.00 0.00 H new ATOM 0 HB3 ARG A 48 19.812 1.371 -8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 48 19.249 3.738 -8.992 1.00 0.00 H new ATOM 0 HG3 ARG A 48 19.550 4.160 -7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 48 21.512 4.698 -8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 48 21.903 3.412 -7.540 1.00 0.00 H new ATOM 0 HE ARG A 48 21.056 2.197 -9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 48 23.677 4.199 -8.708 1.00 0.00 H new ATOM 0 HH12 ARG A 48 24.863 3.574 -9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 48 22.585 1.401 -11.444 1.00 0.00 H new ATOM 0 HH22 ARG A 48 24.247 1.997 -11.401 1.00 0.00 H new ATOM 816 N PRO A 49 17.494 -0.490 -7.945 1.00 0.00 N ATOM 817 CA PRO A 49 17.249 -1.915 -7.696 1.00 0.00 C ATOM 818 C PRO A 49 18.439 -2.582 -7.018 1.00 0.00 C ATOM 819 O PRO A 49 19.583 -2.412 -7.442 1.00 0.00 O ATOM 820 CB PRO A 49 17.029 -2.501 -9.097 1.00 0.00 C ATOM 821 CG PRO A 49 17.559 -1.472 -10.040 1.00 0.00 C ATOM 822 CD PRO A 49 17.347 -0.151 -9.367 1.00 0.00 C ATOM 0 HA PRO A 49 16.404 -2.074 -7.026 1.00 0.00 H new ATOM 0 HB2 PRO A 49 17.553 -3.449 -9.214 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.972 -2.696 -9.281 1.00 0.00 H new ATOM 0 HG2 PRO A 49 18.616 -1.640 -10.247 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.036 -1.512 -10.996 1.00 0.00 H new ATOM 0 HD2 PRO A 49 18.081 0.589 -9.686 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.362 0.262 -9.586 1.00 0.00 H new ATOM 830 N PHE A 50 18.163 -3.338 -5.960 1.00 0.00 N ATOM 831 CA PHE A 50 19.212 -4.026 -5.216 1.00 0.00 C ATOM 832 C PHE A 50 18.599 -4.958 -4.178 1.00 0.00 C ATOM 833 O PHE A 50 17.401 -5.239 -4.211 1.00 0.00 O ATOM 834 CB PHE A 50 20.120 -2.997 -4.533 1.00 0.00 C ATOM 835 CG PHE A 50 21.532 -3.470 -4.321 1.00 0.00 C ATOM 836 CD1 PHE A 50 22.271 -3.978 -5.378 1.00 0.00 C ATOM 837 CD2 PHE A 50 22.121 -3.399 -3.069 1.00 0.00 C ATOM 838 CE1 PHE A 50 23.571 -4.408 -5.190 1.00 0.00 C ATOM 839 CE2 PHE A 50 23.421 -3.827 -2.875 1.00 0.00 C ATOM 840 CZ PHE A 50 24.147 -4.331 -3.936 1.00 0.00 C ATOM 0 H PHE A 50 17.221 -3.490 -5.599 1.00 0.00 H new ATOM 0 HA PHE A 50 19.806 -4.623 -5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 50 20.139 -2.089 -5.135 1.00 0.00 H new ATOM 0 HB3 PHE A 50 19.688 -2.731 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 50 21.826 -4.039 -6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 50 21.558 -3.005 -2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 50 24.136 -4.803 -6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 50 23.869 -3.767 -1.894 1.00 0.00 H new ATOM 0 HZ PHE A 50 25.163 -4.664 -3.786 1.00 0.00 H new ATOM 850 N ARG A 51 19.427 -5.433 -3.259 1.00 0.00 N ATOM 851 CA ARG A 51 18.973 -6.335 -2.205 1.00 0.00 C ATOM 852 C ARG A 51 18.107 -5.593 -1.188 1.00 0.00 C ATOM 853 O ARG A 51 17.777 -6.122 -0.126 1.00 0.00 O ATOM 854 CB ARG A 51 20.180 -6.967 -1.509 1.00 0.00 C ATOM 855 CG ARG A 51 19.829 -8.115 -0.586 1.00 0.00 C ATOM 856 CD ARG A 51 21.065 -8.676 0.098 1.00 0.00 C ATOM 857 NE ARG A 51 21.738 -7.673 0.920 1.00 0.00 N ATOM 858 CZ ARG A 51 22.857 -7.907 1.602 1.00 0.00 C ATOM 859 NH1 ARG A 51 23.431 -9.101 1.555 1.00 0.00 N ATOM 860 NH2 ARG A 51 23.405 -6.943 2.329 1.00 0.00 N ATOM 0 H ARG A 51 20.421 -5.209 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 51 18.367 -7.120 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 51 20.877 -7.324 -2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 51 20.699 -6.199 -0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 51 19.118 -7.774 0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 51 19.337 -8.904 -1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 51 20.781 -9.524 0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 51 21.757 -9.051 -0.655 1.00 0.00 H new ATOM 0 HE ARG A 51 21.327 -6.741 0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 51 23.015 -9.845 0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 51 24.288 -9.276 2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 51 22.969 -6.022 2.366 1.00 0.00 H new ATOM 0 HH22 ARG A 51 24.262 -7.123 2.851 1.00 0.00 H new ATOM 874 N GLY A 52 17.738 -4.367 -1.530 1.00 0.00 N ATOM 875 CA GLY A 52 16.910 -3.561 -0.658 1.00 0.00 C ATOM 876 C GLY A 52 15.465 -3.996 -0.663 1.00 0.00 C ATOM 877 O GLY A 52 15.153 -5.161 -0.417 1.00 0.00 O ATOM 0 H GLY A 52 18.001 -3.913 -2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.299 -3.616 0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 52 16.972 -2.517 -0.967 1.00 0.00 H new ATOM 881 N MET A 53 14.584 -3.045 -0.928 1.00 0.00 N ATOM 882 CA MET A 53 13.157 -3.305 -0.948 1.00 0.00 C ATOM 883 C MET A 53 12.423 -2.272 -1.796 1.00 0.00 C ATOM 884 O MET A 53 12.846 -1.119 -1.890 1.00 0.00 O ATOM 885 CB MET A 53 12.629 -3.279 0.479 1.00 0.00 C ATOM 886 CG MET A 53 11.121 -3.439 0.574 1.00 0.00 C ATOM 887 SD MET A 53 10.521 -3.443 2.273 1.00 0.00 S ATOM 888 CE MET A 53 8.756 -3.591 2.002 1.00 0.00 C ATOM 0 H MET A 53 14.837 -2.079 -1.134 1.00 0.00 H new ATOM 0 HA MET A 53 12.983 -4.285 -1.392 1.00 0.00 H new ATOM 0 HB2 MET A 53 13.107 -4.076 1.049 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.916 -2.337 0.946 1.00 0.00 H new ATOM 0 HG2 MET A 53 10.640 -2.629 0.026 1.00 0.00 H new ATOM 0 HG3 MET A 53 10.828 -4.370 0.089 1.00 0.00 H new ATOM 0 HE1 MET A 53 8.253 -2.703 2.384 1.00 0.00 H new ATOM 0 HE2 MET A 53 8.559 -3.688 0.934 1.00 0.00 H new ATOM 0 HE3 MET A 53 8.381 -4.472 2.522 1.00 0.00 H new ATOM 898 N SER A 54 11.321 -2.690 -2.413 1.00 0.00 N ATOM 899 CA SER A 54 10.534 -1.795 -3.252 1.00 0.00 C ATOM 900 C SER A 54 9.150 -2.379 -3.541 1.00 0.00 C ATOM 901 O SER A 54 8.532 -2.992 -2.671 1.00 0.00 O ATOM 902 CB SER A 54 11.278 -1.510 -4.561 1.00 0.00 C ATOM 903 OG SER A 54 11.504 -2.704 -5.290 1.00 0.00 O ATOM 0 H SER A 54 10.955 -3.640 -2.347 1.00 0.00 H new ATOM 0 HA SER A 54 10.394 -0.859 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.699 -0.814 -5.168 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.231 -1.027 -4.344 1.00 0.00 H new ATOM 0 HG SER A 54 11.979 -2.495 -6.122 1.00 0.00 H new ATOM 909 N GLU A 55 8.667 -2.174 -4.764 1.00 0.00 N ATOM 910 CA GLU A 55 7.355 -2.667 -5.171 1.00 0.00 C ATOM 911 C GLU A 55 7.274 -4.189 -5.106 1.00 0.00 C ATOM 912 O GLU A 55 6.203 -4.750 -4.875 1.00 0.00 O ATOM 913 CB GLU A 55 7.033 -2.193 -6.591 1.00 0.00 C ATOM 914 CG GLU A 55 7.019 -0.679 -6.741 1.00 0.00 C ATOM 915 CD GLU A 55 5.921 -0.014 -5.933 1.00 0.00 C ATOM 916 OE1 GLU A 55 5.932 -0.143 -4.691 1.00 0.00 O ATOM 917 OE2 GLU A 55 5.049 0.639 -6.545 1.00 0.00 O ATOM 0 H GLU A 55 9.168 -1.667 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 55 6.622 -2.263 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.767 -2.611 -7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.060 -2.588 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.984 -0.280 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.893 -0.425 -7.793 1.00 0.00 H new ATOM 924 N GLU A 56 8.404 -4.854 -5.331 1.00 0.00 N ATOM 925 CA GLU A 56 8.448 -6.313 -5.315 1.00 0.00 C ATOM 926 C GLU A 56 7.903 -6.888 -4.007 1.00 0.00 C ATOM 927 O GLU A 56 7.056 -7.783 -4.023 1.00 0.00 O ATOM 928 CB GLU A 56 9.881 -6.802 -5.544 1.00 0.00 C ATOM 929 CG GLU A 56 10.878 -6.273 -4.526 1.00 0.00 C ATOM 930 CD GLU A 56 12.284 -6.787 -4.763 1.00 0.00 C ATOM 931 OE1 GLU A 56 12.834 -6.529 -5.855 1.00 0.00 O ATOM 932 OE2 GLU A 56 12.837 -7.447 -3.859 1.00 0.00 O ATOM 0 H GLU A 56 9.300 -4.407 -5.526 1.00 0.00 H new ATOM 0 HA GLU A 56 7.809 -6.667 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.892 -7.892 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.202 -6.504 -6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.883 -5.184 -4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.555 -6.559 -3.525 1.00 0.00 H new ATOM 939 N GLU A 57 8.391 -6.381 -2.877 1.00 0.00 N ATOM 940 CA GLU A 57 7.944 -6.863 -1.573 1.00 0.00 C ATOM 941 C GLU A 57 6.533 -6.384 -1.258 1.00 0.00 C ATOM 942 O GLU A 57 5.678 -7.172 -0.860 1.00 0.00 O ATOM 943 CB GLU A 57 8.891 -6.397 -0.467 1.00 0.00 C ATOM 944 CG GLU A 57 8.502 -6.903 0.916 1.00 0.00 C ATOM 945 CD GLU A 57 8.741 -8.391 1.086 1.00 0.00 C ATOM 946 OE1 GLU A 57 8.120 -9.183 0.346 1.00 0.00 O ATOM 947 OE2 GLU A 57 9.550 -8.765 1.961 1.00 0.00 O ATOM 0 H GLU A 57 9.092 -5.641 -2.838 1.00 0.00 H new ATOM 0 HA GLU A 57 7.945 -7.952 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.901 -6.734 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.914 -5.307 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.071 -6.360 1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.449 -6.686 1.094 1.00 0.00 H new ATOM 954 N VAL A 58 6.305 -5.086 -1.427 1.00 0.00 N ATOM 955 CA VAL A 58 5.003 -4.491 -1.143 1.00 0.00 C ATOM 956 C VAL A 58 3.883 -5.232 -1.866 1.00 0.00 C ATOM 957 O VAL A 58 2.813 -5.458 -1.300 1.00 0.00 O ATOM 958 CB VAL A 58 4.967 -3.005 -1.547 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.610 -2.397 -1.231 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.078 -2.238 -0.848 1.00 0.00 C ATOM 0 H VAL A 58 7.006 -4.424 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 58 4.848 -4.573 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 58 5.127 -2.935 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.605 -1.347 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.835 -2.931 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.416 -2.476 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.039 -1.190 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.950 -2.315 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.043 -2.659 -1.130 1.00 0.00 H new ATOM 970 N PHE A 59 4.135 -5.614 -3.110 1.00 0.00 N ATOM 971 CA PHE A 59 3.147 -6.338 -3.900 1.00 0.00 C ATOM 972 C PHE A 59 2.784 -7.659 -3.225 1.00 0.00 C ATOM 973 O PHE A 59 1.621 -8.057 -3.206 1.00 0.00 O ATOM 974 CB PHE A 59 3.677 -6.599 -5.312 1.00 0.00 C ATOM 975 CG PHE A 59 2.716 -7.351 -6.191 1.00 0.00 C ATOM 976 CD1 PHE A 59 1.388 -6.961 -6.286 1.00 0.00 C ATOM 977 CD2 PHE A 59 3.141 -8.448 -6.921 1.00 0.00 C ATOM 978 CE1 PHE A 59 0.505 -7.653 -7.092 1.00 0.00 C ATOM 979 CE2 PHE A 59 2.262 -9.144 -7.729 1.00 0.00 C ATOM 980 CZ PHE A 59 0.942 -8.747 -7.815 1.00 0.00 C ATOM 0 H PHE A 59 5.015 -5.435 -3.595 1.00 0.00 H new ATOM 0 HA PHE A 59 2.250 -5.723 -3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.915 -5.645 -5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.608 -7.162 -5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.041 -6.107 -5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.172 -8.764 -6.858 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.526 -7.339 -7.157 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.607 -9.998 -8.293 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.253 -9.290 -8.445 1.00 0.00 H new ATOM 990 N THR A 60 3.790 -8.332 -2.672 1.00 0.00 N ATOM 991 CA THR A 60 3.583 -9.609 -1.993 1.00 0.00 C ATOM 992 C THR A 60 2.907 -9.417 -0.642 1.00 0.00 C ATOM 993 O THR A 60 1.988 -10.149 -0.287 1.00 0.00 O ATOM 994 CB THR A 60 4.914 -10.355 -1.775 1.00 0.00 C ATOM 995 OG1 THR A 60 5.485 -10.718 -3.038 1.00 0.00 O ATOM 996 CG2 THR A 60 4.707 -11.599 -0.922 1.00 0.00 C ATOM 0 H THR A 60 4.759 -8.014 -2.681 1.00 0.00 H new ATOM 0 HA THR A 60 2.938 -10.202 -2.641 1.00 0.00 H new ATOM 0 HB THR A 60 5.597 -9.688 -1.249 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.331 -11.190 -2.891 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.661 -12.108 -0.783 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.304 -11.311 0.049 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.008 -12.270 -1.421 1.00 0.00 H new ATOM 1004 N GLU A 61 3.383 -8.437 0.109 1.00 0.00 N ATOM 1005 CA GLU A 61 2.846 -8.142 1.427 1.00 0.00 C ATOM 1006 C GLU A 61 1.352 -7.847 1.361 1.00 0.00 C ATOM 1007 O GLU A 61 0.568 -8.383 2.146 1.00 0.00 O ATOM 1008 CB GLU A 61 3.589 -6.957 2.045 1.00 0.00 C ATOM 1009 CG GLU A 61 5.077 -7.199 2.246 1.00 0.00 C ATOM 1010 CD GLU A 61 5.365 -8.308 3.242 1.00 0.00 C ATOM 1011 OE1 GLU A 61 4.971 -9.464 2.980 1.00 0.00 O ATOM 1012 OE2 GLU A 61 5.988 -8.019 4.286 1.00 0.00 O ATOM 0 H GLU A 61 4.149 -7.826 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 61 2.989 -9.022 2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.456 -6.084 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.136 -6.719 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.532 -7.451 1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.547 -6.277 2.590 1.00 0.00 H new ATOM 1019 N VAL A 62 0.964 -6.991 0.422 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.436 -6.624 0.254 1.00 0.00 C ATOM 1021 C VAL A 62 -1.242 -7.778 -0.335 1.00 0.00 C ATOM 1022 O VAL A 62 -2.357 -8.053 0.107 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.589 -5.386 -0.649 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -2.055 -5.002 -0.782 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.226 -4.225 -0.102 1.00 0.00 C ATOM 0 H VAL A 62 1.600 -6.538 -0.234 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.822 -6.388 1.246 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.210 -5.631 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.145 -4.125 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.610 -5.831 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.462 -4.774 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.107 -3.358 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.122 -3.977 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.278 -4.506 -0.062 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.674 -8.447 -1.334 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.347 -9.569 -1.981 1.00 0.00 C ATOM 1037 C ALA A 63 -1.597 -10.703 -0.994 1.00 0.00 C ATOM 1038 O ALA A 63 -2.684 -11.280 -0.959 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.530 -10.069 -3.162 1.00 0.00 C ATOM 0 H ALA A 63 0.249 -8.232 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.312 -9.217 -2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.046 -10.906 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.407 -9.264 -3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.450 -10.396 -2.814 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.583 -11.019 -0.197 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.687 -12.084 0.791 1.00 0.00 C ATOM 1047 C ASN A 64 -1.735 -11.720 1.837 1.00 0.00 C ATOM 1048 O ASN A 64 -2.533 -12.560 2.254 1.00 0.00 O ATOM 1049 CB ASN A 64 0.685 -12.353 1.434 1.00 0.00 C ATOM 1050 CG ASN A 64 0.982 -11.495 2.652 1.00 0.00 C ATOM 1051 OD1 ASN A 64 0.236 -11.497 3.632 1.00 0.00 O ATOM 1052 ND2 ASN A 64 2.099 -10.777 2.609 1.00 0.00 N ATOM 0 H ASN A 64 0.323 -10.551 -0.217 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.006 -13.003 0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.739 -13.403 1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.462 -12.186 0.688 1.00 0.00 H new ATOM 0 HD21 ASN A 64 2.365 -10.200 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.690 -10.803 1.778 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.734 -10.453 2.236 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.690 -9.951 3.214 1.00 0.00 C ATOM 1061 C LEU A 65 -4.113 -10.102 2.705 1.00 0.00 C ATOM 1062 O LEU A 65 -4.943 -10.775 3.314 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.426 -8.474 3.469 1.00 0.00 C ATOM 1064 CG LEU A 65 -1.825 -8.124 4.822 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.567 -6.632 4.875 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -2.753 -8.549 5.952 1.00 0.00 C ATOM 0 H LEU A 65 -1.077 -9.752 1.894 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.573 -10.527 4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.757 -8.106 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.367 -7.934 3.362 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.884 -8.660 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.136 -6.371 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.873 -6.354 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.506 -6.095 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.303 -8.289 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.710 -8.037 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.912 -9.626 5.907 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.380 -9.438 1.586 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.697 -9.448 0.959 1.00 0.00 C ATOM 1080 C PHE A 66 -5.996 -10.787 0.287 1.00 0.00 C ATOM 1081 O PHE A 66 -6.601 -10.824 -0.784 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.782 -8.330 -0.084 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.595 -6.934 0.459 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.355 -6.709 1.809 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.649 -5.844 -0.396 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.176 -5.426 2.291 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.472 -4.560 0.083 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.235 -4.351 1.428 1.00 0.00 C ATOM 0 H PHE A 66 -3.689 -8.877 1.087 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.437 -9.290 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.027 -8.510 -0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.753 -8.385 -0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.308 -7.546 2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.832 -6.000 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.990 -5.265 3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.519 -3.720 -0.594 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.096 -3.348 1.803 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.582 -11.884 0.915 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.826 -13.208 0.360 1.00 0.00 C ATOM 1100 C ARG A 67 -7.325 -13.448 0.215 1.00 0.00 C ATOM 1101 O ARG A 67 -8.087 -13.262 1.163 1.00 0.00 O ATOM 1102 CB ARG A 67 -5.194 -14.283 1.246 1.00 0.00 C ATOM 1103 CG ARG A 67 -5.437 -15.702 0.755 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.874 -16.730 1.724 1.00 0.00 C ATOM 1105 NE ARG A 67 -3.428 -16.604 1.883 1.00 0.00 N ATOM 1106 CZ ARG A 67 -2.554 -16.811 0.901 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -2.973 -17.181 -0.302 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -1.257 -16.656 1.125 1.00 0.00 N ATOM 0 H ARG A 67 -5.079 -11.881 1.803 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.367 -13.264 -0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.120 -14.107 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.589 -14.186 2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.507 -15.867 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.977 -15.833 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.356 -16.614 2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.113 -17.732 1.367 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.067 -16.342 2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.970 -17.308 -0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.299 -17.338 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.929 -16.378 2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.587 -16.815 0.372 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.742 -13.847 -0.980 1.00 0.00 N ATOM 1123 CA GLY A 68 -9.150 -14.084 -1.230 1.00 0.00 C ATOM 1124 C GLY A 68 -9.846 -12.842 -1.756 1.00 0.00 C ATOM 1125 O GLY A 68 -10.636 -12.919 -2.697 1.00 0.00 O ATOM 0 H GLY A 68 -7.131 -14.011 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.260 -14.895 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.633 -14.409 -0.308 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.541 -11.693 -1.154 1.00 0.00 N ATOM 1130 CA GLN A 69 -10.134 -10.427 -1.581 1.00 0.00 C ATOM 1131 C GLN A 69 -9.320 -9.813 -2.717 1.00 0.00 C ATOM 1132 O GLN A 69 -8.953 -8.638 -2.670 1.00 0.00 O ATOM 1133 CB GLN A 69 -10.231 -9.435 -0.416 1.00 0.00 C ATOM 1134 CG GLN A 69 -11.098 -9.922 0.735 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.373 -10.883 1.659 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -10.999 -11.585 2.453 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -9.046 -10.896 1.587 1.00 0.00 N ATOM 0 H GLN A 69 -8.890 -11.613 -0.373 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.143 -10.638 -1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.228 -9.230 -0.041 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.632 -8.492 -0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.443 -9.063 1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.984 -10.413 0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.566 -10.298 0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.508 -11.504 2.204 1.00 0.00 H new ATOM 1146 N GLU A 70 -9.037 -10.622 -3.732 1.00 0.00 N ATOM 1147 CA GLU A 70 -8.259 -10.174 -4.884 1.00 0.00 C ATOM 1148 C GLU A 70 -8.942 -9.021 -5.613 1.00 0.00 C ATOM 1149 O GLU A 70 -8.355 -8.413 -6.509 1.00 0.00 O ATOM 1150 CB GLU A 70 -8.035 -11.337 -5.849 1.00 0.00 C ATOM 1151 CG GLU A 70 -7.259 -12.483 -5.229 1.00 0.00 C ATOM 1152 CD GLU A 70 -7.184 -13.698 -6.134 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -8.251 -14.246 -6.481 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -6.058 -14.100 -6.494 1.00 0.00 O ATOM 0 H GLU A 70 -9.336 -11.596 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.299 -9.814 -4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.001 -11.705 -6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.499 -10.975 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.249 -12.147 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.728 -12.766 -4.287 1.00 0.00 H new ATOM 1161 N ASP A 71 -10.179 -8.718 -5.227 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.921 -7.631 -5.855 1.00 0.00 C ATOM 1163 C ASP A 71 -10.187 -6.313 -5.647 1.00 0.00 C ATOM 1164 O ASP A 71 -10.008 -5.533 -6.584 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.337 -7.544 -5.281 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.345 -7.292 -3.785 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -11.798 -8.131 -3.039 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -12.898 -6.256 -3.361 1.00 0.00 O ATOM 0 H ASP A 71 -10.685 -9.206 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.995 -7.832 -6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.880 -6.744 -5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.869 -8.472 -5.492 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.742 -6.087 -4.417 1.00 0.00 N ATOM 1174 CA LEU A 72 -9.000 -4.882 -4.075 1.00 0.00 C ATOM 1175 C LEU A 72 -7.603 -4.946 -4.674 1.00 0.00 C ATOM 1176 O LEU A 72 -7.025 -3.926 -5.052 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.908 -4.730 -2.555 1.00 0.00 C ATOM 1178 CG LEU A 72 -10.249 -4.559 -1.843 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -10.059 -4.585 -0.335 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.911 -3.258 -2.272 1.00 0.00 C ATOM 0 H LEU A 72 -9.884 -6.728 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.525 -4.019 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.406 -5.607 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.280 -3.868 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.898 -5.389 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.025 -4.462 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.621 -5.539 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.395 -3.773 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.866 -3.149 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.263 -2.419 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.079 -3.273 -3.349 1.00 0.00 H new ATOM 1192 N LEU A 73 -7.074 -6.162 -4.757 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.758 -6.402 -5.298 1.00 0.00 C ATOM 1194 C LEU A 73 -5.639 -5.826 -6.700 1.00 0.00 C ATOM 1195 O LEU A 73 -4.632 -5.211 -7.049 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.516 -7.903 -5.324 1.00 0.00 C ATOM 1197 CG LEU A 73 -4.236 -8.371 -4.636 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -3.028 -7.609 -5.157 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.372 -8.203 -3.135 1.00 0.00 C ATOM 0 H LEU A 73 -7.555 -7.007 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.011 -5.913 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.364 -8.399 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.491 -8.232 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.083 -9.426 -4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.129 -7.961 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.929 -7.774 -6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.159 -6.544 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.457 -8.538 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.545 -7.153 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.213 -8.798 -2.777 1.00 0.00 H new ATOM 1211 N SER A 74 -6.684 -6.027 -7.495 1.00 0.00 N ATOM 1212 CA SER A 74 -6.715 -5.524 -8.858 1.00 0.00 C ATOM 1213 C SER A 74 -6.430 -4.029 -8.874 1.00 0.00 C ATOM 1214 O SER A 74 -5.717 -3.530 -9.745 1.00 0.00 O ATOM 1215 CB SER A 74 -8.078 -5.804 -9.487 1.00 0.00 C ATOM 1216 OG SER A 74 -8.129 -5.340 -10.825 1.00 0.00 O ATOM 0 H SER A 74 -7.522 -6.537 -7.215 1.00 0.00 H new ATOM 0 HA SER A 74 -5.945 -6.033 -9.438 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.280 -6.875 -9.463 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.859 -5.319 -8.901 1.00 0.00 H new ATOM 0 HG SER A 74 -9.012 -5.533 -11.205 1.00 0.00 H new ATOM 1222 N GLU A 75 -6.988 -3.322 -7.897 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.793 -1.884 -7.786 1.00 0.00 C ATOM 1224 C GLU A 75 -5.347 -1.565 -7.426 1.00 0.00 C ATOM 1225 O GLU A 75 -4.754 -0.630 -7.965 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.735 -1.305 -6.729 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.202 -1.582 -7.011 1.00 0.00 C ATOM 1228 CD GLU A 75 -10.114 -1.032 -5.931 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -10.105 0.198 -5.718 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -10.835 -1.833 -5.299 1.00 0.00 O ATOM 0 H GLU A 75 -7.580 -3.724 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.019 -1.430 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.475 -1.720 -5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.582 -0.228 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.474 -1.142 -7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.355 -2.658 -7.099 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.784 -2.351 -6.511 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.404 -2.159 -6.080 1.00 0.00 C ATOM 1239 C PHE A 76 -2.465 -2.215 -7.278 1.00 0.00 C ATOM 1240 O PHE A 76 -1.554 -1.398 -7.407 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.008 -3.231 -5.058 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.695 -2.963 -4.375 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.407 -1.706 -3.868 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.751 -3.971 -4.236 1.00 0.00 C ATOM 1245 CE1 PHE A 76 -0.205 -1.457 -3.235 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.456 -3.726 -3.604 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.727 -2.466 -3.103 1.00 0.00 C ATOM 0 H PHE A 76 -5.264 -3.127 -6.054 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.323 -1.179 -5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.791 -3.307 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.955 -4.197 -5.560 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.131 -0.911 -3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.960 -4.957 -4.625 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.005 -0.473 -2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.184 -4.517 -3.502 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.667 -2.272 -2.609 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.707 -3.184 -8.153 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.891 -3.338 -9.340 1.00 0.00 C ATOM 1259 C GLY A 77 -1.970 -2.128 -10.253 1.00 0.00 C ATOM 1260 O GLY A 77 -0.996 -1.784 -10.924 1.00 0.00 O ATOM 0 H GLY A 77 -3.458 -3.868 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.854 -3.502 -9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.212 -4.225 -9.887 1.00 0.00 H new ATOM 1264 N GLN A 78 -3.135 -1.484 -10.276 1.00 0.00 N ATOM 1265 CA GLN A 78 -3.345 -0.305 -11.111 1.00 0.00 C ATOM 1266 C GLN A 78 -2.316 0.777 -10.798 1.00 0.00 C ATOM 1267 O GLN A 78 -1.716 1.358 -11.702 1.00 0.00 O ATOM 1268 CB GLN A 78 -4.753 0.257 -10.895 1.00 0.00 C ATOM 1269 CG GLN A 78 -5.863 -0.753 -11.129 1.00 0.00 C ATOM 1270 CD GLN A 78 -5.881 -1.287 -12.547 1.00 0.00 C ATOM 1271 OE1 GLN A 78 -6.004 -0.526 -13.507 1.00 0.00 O ATOM 1272 NE2 GLN A 78 -5.763 -2.600 -12.683 1.00 0.00 N ATOM 0 H GLN A 78 -3.948 -1.760 -9.725 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.230 -0.609 -12.151 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.830 0.636 -9.876 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.901 1.106 -11.563 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.744 -1.584 -10.434 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.824 -0.288 -10.908 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.663 -3.191 -11.858 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.772 -3.019 -13.613 1.00 0.00 H new ATOM 1281 N PHE A 79 -2.126 1.045 -9.511 1.00 0.00 N ATOM 1282 CA PHE A 79 -1.178 2.062 -9.071 1.00 0.00 C ATOM 1283 C PHE A 79 0.260 1.615 -9.311 1.00 0.00 C ATOM 1284 O PHE A 79 1.086 2.392 -9.792 1.00 0.00 O ATOM 1285 CB PHE A 79 -1.383 2.385 -7.587 1.00 0.00 C ATOM 1286 CG PHE A 79 -2.680 3.090 -7.287 1.00 0.00 C ATOM 1287 CD1 PHE A 79 -3.897 2.537 -7.659 1.00 0.00 C ATOM 1288 CD2 PHE A 79 -2.678 4.313 -6.635 1.00 0.00 C ATOM 1289 CE1 PHE A 79 -5.084 3.190 -7.384 1.00 0.00 C ATOM 1290 CE2 PHE A 79 -3.862 4.969 -6.358 1.00 0.00 C ATOM 1291 CZ PHE A 79 -5.066 4.407 -6.733 1.00 0.00 C ATOM 0 H PHE A 79 -2.617 0.571 -8.753 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.362 2.962 -9.658 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.345 1.458 -7.015 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.556 3.006 -7.243 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.917 1.585 -8.169 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.740 4.759 -6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.025 2.748 -7.678 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.846 5.921 -5.848 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.992 4.919 -6.517 1.00 0.00 H new ATOM 1301 N LEU A 80 0.556 0.365 -8.971 1.00 0.00 N ATOM 1302 CA LEU A 80 1.900 -0.175 -9.149 1.00 0.00 C ATOM 1303 C LEU A 80 2.344 -0.067 -10.606 1.00 0.00 C ATOM 1304 O LEU A 80 1.645 -0.527 -11.511 1.00 0.00 O ATOM 1305 CB LEU A 80 1.950 -1.636 -8.697 1.00 0.00 C ATOM 1306 CG LEU A 80 1.596 -1.875 -7.227 1.00 0.00 C ATOM 1307 CD1 LEU A 80 1.618 -3.363 -6.911 1.00 0.00 C ATOM 1308 CD2 LEU A 80 2.556 -1.122 -6.315 1.00 0.00 C ATOM 0 H LEU A 80 -0.114 -0.292 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 80 2.583 0.413 -8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.267 -2.215 -9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.953 -2.022 -8.880 1.00 0.00 H new ATOM 0 HG LEU A 80 0.589 -1.498 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.364 -3.516 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.892 -3.879 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.614 -3.762 -7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.288 -1.305 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.574 -1.468 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.494 -0.054 -6.524 1.00 0.00 H new ATOM 1320 N PRO A 81 3.518 0.544 -10.856 1.00 0.00 N ATOM 1321 CA PRO A 81 4.049 0.707 -12.213 1.00 0.00 C ATOM 1322 C PRO A 81 4.506 -0.614 -12.819 1.00 0.00 C ATOM 1323 O PRO A 81 5.261 -1.364 -12.200 1.00 0.00 O ATOM 1324 CB PRO A 81 5.240 1.646 -12.020 1.00 0.00 C ATOM 1325 CG PRO A 81 5.672 1.423 -10.612 1.00 0.00 C ATOM 1326 CD PRO A 81 4.418 1.122 -9.838 1.00 0.00 C ATOM 0 HA PRO A 81 3.295 1.090 -12.901 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.042 1.417 -12.721 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.956 2.685 -12.188 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.379 0.596 -10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.175 2.304 -10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.606 0.422 -9.024 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.995 2.022 -9.392 1.00 0.00 H new ATOM 1334 N GLU A 82 4.047 -0.893 -14.034 1.00 0.00 N ATOM 1335 CA GLU A 82 4.413 -2.123 -14.726 1.00 0.00 C ATOM 1336 C GLU A 82 5.874 -2.087 -15.162 1.00 0.00 C ATOM 1337 O GLU A 82 6.337 -1.098 -15.732 1.00 0.00 O ATOM 1338 CB GLU A 82 3.507 -2.337 -15.940 1.00 0.00 C ATOM 1339 CG GLU A 82 3.556 -1.200 -16.949 1.00 0.00 C ATOM 1340 CD GLU A 82 2.651 -1.441 -18.142 1.00 0.00 C ATOM 1341 OE1 GLU A 82 2.855 -2.452 -18.846 1.00 0.00 O ATOM 1342 OE2 GLU A 82 1.740 -0.619 -18.373 1.00 0.00 O ATOM 0 H GLU A 82 3.421 -0.284 -14.560 1.00 0.00 H new ATOM 0 HA GLU A 82 4.282 -2.955 -14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.793 -3.264 -16.437 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.480 -2.463 -15.598 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.265 -0.271 -16.459 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.581 -1.070 -17.295 1.00 0.00 H new ATOM 1349 N ALA A 83 6.598 -3.171 -14.895 1.00 0.00 N ATOM 1350 CA ALA A 83 8.005 -3.255 -15.267 1.00 0.00 C ATOM 1351 C ALA A 83 8.163 -3.370 -16.780 1.00 0.00 C ATOM 1352 O ALA A 83 7.210 -3.146 -17.527 1.00 0.00 O ATOM 1353 CB ALA A 83 8.667 -4.438 -14.574 1.00 0.00 C ATOM 0 H ALA A 83 6.234 -4.000 -14.424 1.00 0.00 H new ATOM 0 HA ALA A 83 8.497 -2.338 -14.942 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.717 -4.487 -14.862 1.00 0.00 H new ATOM 0 HB2 ALA A 83 8.592 -4.315 -13.494 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.166 -5.360 -14.870 1.00 0.00 H new ATOM 1359 N LYS A 84 9.370 -3.728 -17.220 1.00 0.00 N ATOM 1360 CA LYS A 84 9.664 -3.881 -18.646 1.00 0.00 C ATOM 1361 C LYS A 84 9.477 -2.564 -19.399 1.00 0.00 C ATOM 1362 O LYS A 84 8.485 -1.860 -19.209 1.00 0.00 O ATOM 1363 CB LYS A 84 8.775 -4.965 -19.263 1.00 0.00 C ATOM 1364 CG LYS A 84 9.001 -6.349 -18.671 1.00 0.00 C ATOM 1365 CD LYS A 84 8.067 -7.377 -19.288 1.00 0.00 C ATOM 1366 CE LYS A 84 8.322 -8.767 -18.730 1.00 0.00 C ATOM 1367 NZ LYS A 84 9.704 -9.237 -19.022 1.00 0.00 N ATOM 0 H LYS A 84 10.163 -3.918 -16.607 1.00 0.00 H new ATOM 0 HA LYS A 84 10.708 -4.180 -18.737 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.730 -4.687 -19.127 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.957 -5.004 -20.337 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.035 -6.651 -18.834 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.845 -6.315 -17.593 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.033 -7.091 -19.097 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.200 -7.388 -20.370 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.161 -8.761 -17.652 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.603 -9.467 -19.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.764 -10.262 -18.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.939 -9.030 -20.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.376 -8.747 -18.398 1.00 0.00 H new ATOM 1381 N ARG A 85 10.436 -2.241 -20.260 1.00 0.00 N ATOM 1382 CA ARG A 85 10.373 -1.012 -21.045 1.00 0.00 C ATOM 1383 C ARG A 85 9.169 -1.030 -21.982 1.00 0.00 C ATOM 1384 O ARG A 85 8.255 -0.202 -21.786 1.00 0.00 O ATOM 1385 CB ARG A 85 11.659 -0.817 -21.856 1.00 0.00 C ATOM 1386 CG ARG A 85 12.884 -0.490 -21.012 1.00 0.00 C ATOM 1387 CD ARG A 85 13.329 -1.675 -20.170 1.00 0.00 C ATOM 1388 NE ARG A 85 14.497 -1.354 -19.356 1.00 0.00 N ATOM 1389 CZ ARG A 85 15.099 -2.223 -18.548 1.00 0.00 C ATOM 1390 NH1 ARG A 85 14.649 -3.467 -18.451 1.00 0.00 N ATOM 1391 NH2 ARG A 85 16.153 -1.847 -17.839 1.00 0.00 N ATOM 1392 OXT ARG A 85 9.151 -1.870 -22.905 1.00 0.00 O ATOM 0 H ARG A 85 11.264 -2.811 -20.432 1.00 0.00 H new ATOM 0 HA ARG A 85 10.266 -0.179 -20.351 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.856 -1.724 -22.427 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.503 -0.014 -22.577 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.701 -0.181 -21.664 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.660 0.354 -20.360 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.510 -1.989 -19.523 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.561 -2.517 -20.822 1.00 0.00 H new ATOM 0 HE ARG A 85 14.874 -0.408 -19.410 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.839 -3.760 -18.997 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.113 -4.130 -17.831 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.503 -0.892 -17.913 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.615 -2.513 -17.219 1.00 0.00 H new TER 1406 ARG A 85 ATOM 1407 N ASN B 1 4.328 7.268 -6.392 1.00 0.00 N ATOM 1408 CA ASN B 1 3.005 6.614 -6.570 1.00 0.00 C ATOM 1409 C ASN B 1 2.530 5.981 -5.267 1.00 0.00 C ATOM 1410 O ASN B 1 1.395 6.191 -4.839 1.00 0.00 O ATOM 1411 CB ASN B 1 3.134 5.550 -7.662 1.00 0.00 C ATOM 1412 CG ASN B 1 1.814 4.870 -7.970 1.00 0.00 C ATOM 1413 OD1 ASN B 1 1.217 4.227 -7.108 1.00 0.00 O ATOM 1414 ND2 ASN B 1 1.352 5.011 -9.207 1.00 0.00 N ATOM 0 H1 ASN B 1 4.630 7.691 -7.293 1.00 0.00 H new ATOM 0 H2 ASN B 1 4.253 8.011 -5.668 1.00 0.00 H new ATOM 0 H3 ASN B 1 5.028 6.560 -6.091 1.00 0.00 H new ATOM 0 HA ASN B 1 2.267 7.361 -6.861 1.00 0.00 H new ATOM 0 HB2 ASN B 1 3.522 6.011 -8.570 1.00 0.00 H new ATOM 0 HB3 ASN B 1 3.861 4.800 -7.350 1.00 0.00 H new ATOM 0 HD21 ASN B 1 0.468 4.577 -9.474 1.00 0.00 H new ATOM 0 HD22 ASN B 1 1.881 5.554 -9.890 1.00 0.00 H new ATOM 1423 N ILE B 2 3.411 5.213 -4.639 1.00 0.00 N ATOM 1424 CA ILE B 2 3.095 4.550 -3.380 1.00 0.00 C ATOM 1425 C ILE B 2 2.844 5.573 -2.278 1.00 0.00 C ATOM 1426 O ILE B 2 2.013 5.359 -1.395 1.00 0.00 O ATOM 1427 CB ILE B 2 4.229 3.594 -2.948 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.367 2.442 -3.950 1.00 0.00 C ATOM 1429 CG2 ILE B 2 3.982 3.059 -1.542 1.00 0.00 C ATOM 1430 CD1 ILE B 2 3.108 1.613 -4.106 1.00 0.00 C ATOM 0 H ILE B 2 4.354 5.033 -4.983 1.00 0.00 H new ATOM 0 HA ILE B 2 2.189 3.966 -3.540 1.00 0.00 H new ATOM 0 HB ILE B 2 5.164 4.155 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.645 2.850 -4.922 1.00 0.00 H new ATOM 0 HG13 ILE B 2 5.182 1.792 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.794 2.388 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE B 2 3.938 3.891 -0.839 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.038 2.515 -1.520 1.00 0.00 H new ATOM 0 HD11 ILE B 2 3.283 0.818 -4.831 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.839 1.175 -3.145 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.294 2.249 -4.455 1.00 0.00 H new ATOM 1442 N GLN B 3 3.571 6.683 -2.337 1.00 0.00 N ATOM 1443 CA GLN B 3 3.439 7.748 -1.348 1.00 0.00 C ATOM 1444 C GLN B 3 1.981 8.167 -1.178 1.00 0.00 C ATOM 1445 O GLN B 3 1.554 8.513 -0.080 1.00 0.00 O ATOM 1446 CB GLN B 3 4.302 8.950 -1.753 1.00 0.00 C ATOM 1447 CG GLN B 3 4.261 10.109 -0.765 1.00 0.00 C ATOM 1448 CD GLN B 3 3.057 11.021 -0.946 1.00 0.00 C ATOM 1449 OE1 GLN B 3 2.824 11.920 -0.138 1.00 0.00 O ATOM 1450 NE2 GLN B 3 2.293 10.810 -2.014 1.00 0.00 N ATOM 0 H GLN B 3 4.262 6.870 -3.064 1.00 0.00 H new ATOM 0 HA GLN B 3 3.788 7.368 -0.388 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.335 8.620 -1.866 1.00 0.00 H new ATOM 0 HB3 GLN B 3 3.973 9.307 -2.729 1.00 0.00 H new ATOM 0 HG2 GLN B 3 4.255 9.711 0.250 1.00 0.00 H new ATOM 0 HG3 GLN B 3 5.172 10.698 -0.871 1.00 0.00 H new ATOM 0 HE21 GLN B 3 2.519 10.055 -2.661 1.00 0.00 H new ATOM 0 HE22 GLN B 3 1.482 11.404 -2.186 1.00 0.00 H new ATOM 1459 N MET B 4 1.224 8.140 -2.271 1.00 0.00 N ATOM 1460 CA MET B 4 -0.184 8.523 -2.235 1.00 0.00 C ATOM 1461 C MET B 4 -0.998 7.589 -1.341 1.00 0.00 C ATOM 1462 O MET B 4 -1.749 8.042 -0.476 1.00 0.00 O ATOM 1463 CB MET B 4 -0.771 8.526 -3.647 1.00 0.00 C ATOM 1464 CG MET B 4 -0.161 9.577 -4.561 1.00 0.00 C ATOM 1465 SD MET B 4 -0.433 11.257 -3.964 1.00 0.00 S ATOM 1466 CE MET B 4 0.302 12.209 -5.290 1.00 0.00 C ATOM 0 H MET B 4 1.561 7.857 -3.191 1.00 0.00 H new ATOM 0 HA MET B 4 -0.239 9.528 -1.817 1.00 0.00 H new ATOM 0 HB2 MET B 4 -0.627 7.542 -4.093 1.00 0.00 H new ATOM 0 HB3 MET B 4 -1.846 8.693 -3.583 1.00 0.00 H new ATOM 0 HG2 MET B 4 0.910 9.397 -4.652 1.00 0.00 H new ATOM 0 HG3 MET B 4 -0.587 9.477 -5.559 1.00 0.00 H new ATOM 0 HE1 MET B 4 0.213 13.272 -5.067 1.00 0.00 H new ATOM 0 HE2 MET B 4 1.355 11.946 -5.386 1.00 0.00 H new ATOM 0 HE3 MET B 4 -0.214 11.990 -6.225 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.853 6.284 -1.558 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.585 5.292 -0.774 1.00 0.00 C ATOM 1478 C LEU B 5 -1.146 5.304 0.687 1.00 0.00 C ATOM 1479 O LEU B 5 -1.978 5.301 1.593 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.392 3.894 -1.365 1.00 0.00 C ATOM 1481 CG LEU B 5 -1.886 3.722 -2.804 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.685 2.290 -3.267 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.352 4.113 -2.920 1.00 0.00 C ATOM 0 H LEU B 5 -0.237 5.889 -2.269 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.642 5.554 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.331 3.645 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.910 3.174 -0.731 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.302 4.381 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.042 2.185 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.625 2.039 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.244 1.616 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.683 3.983 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.950 3.480 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.475 5.156 -2.628 1.00 0.00 H new ATOM 1495 N LEU B 6 0.164 5.312 0.906 1.00 0.00 N ATOM 1496 CA LEU B 6 0.712 5.319 2.258 1.00 0.00 C ATOM 1497 C LEU B 6 0.274 6.566 3.019 1.00 0.00 C ATOM 1498 O LEU B 6 -0.181 6.479 4.160 1.00 0.00 O ATOM 1499 CB LEU B 6 2.240 5.235 2.206 1.00 0.00 C ATOM 1500 CG LEU B 6 2.947 5.284 3.562 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.411 4.207 4.492 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.446 5.123 3.377 1.00 0.00 C ATOM 0 H LEU B 6 0.866 5.314 0.166 1.00 0.00 H new ATOM 0 HA LEU B 6 0.327 4.448 2.789 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.519 4.309 1.703 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.611 6.056 1.592 1.00 0.00 H new ATOM 0 HG LEU B 6 2.749 6.255 4.017 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.929 4.262 5.449 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.343 4.360 4.648 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.576 3.226 4.046 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.939 5.160 4.349 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.653 4.165 2.901 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.824 5.929 2.748 1.00 0.00 H new ATOM 1514 N GLU B 7 0.397 7.723 2.377 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.001 8.984 2.992 1.00 0.00 C ATOM 1516 C GLU B 7 -1.499 8.984 3.269 1.00 0.00 C ATOM 1517 O GLU B 7 -1.958 9.532 4.271 1.00 0.00 O ATOM 1518 CB GLU B 7 0.367 10.162 2.086 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.028 11.518 2.651 1.00 0.00 C ATOM 1520 CD GLU B 7 0.689 11.849 3.948 1.00 0.00 C ATOM 1521 OE1 GLU B 7 0.493 11.117 4.941 1.00 0.00 O ATOM 1522 OE2 GLU B 7 1.447 12.841 3.970 1.00 0.00 O ATOM 0 H GLU B 7 0.769 7.814 1.432 1.00 0.00 H new ATOM 0 HA GLU B 7 0.533 9.092 3.936 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.443 10.151 1.911 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.115 10.028 1.118 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.190 12.291 1.914 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.104 11.535 2.822 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.252 8.356 2.370 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.701 8.265 2.505 1.00 0.00 C ATOM 1531 C ALA B 8 -4.086 7.705 3.868 1.00 0.00 C ATOM 1532 O ALA B 8 -5.060 8.144 4.480 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.274 7.395 1.397 1.00 0.00 C ATOM 0 H ALA B 8 -1.879 7.901 1.537 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.118 9.269 2.421 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.357 7.333 1.506 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.031 7.833 0.429 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.845 6.395 1.461 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.310 6.731 4.335 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.561 6.103 5.626 1.00 0.00 C ATOM 1541 C ALA B 9 -3.556 7.134 6.749 1.00 0.00 C ATOM 1542 O ALA B 9 -4.461 7.162 7.583 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.518 5.031 5.897 1.00 0.00 C ATOM 0 H ALA B 9 -2.501 6.360 3.837 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.548 5.642 5.593 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -2.715 4.568 6.864 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.564 4.273 5.116 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.526 5.483 5.906 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.532 7.980 6.762 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.404 9.015 7.781 1.00 0.00 C ATOM 1551 C ASP B 10 -3.570 9.995 7.701 1.00 0.00 C ATOM 1552 O ASP B 10 -4.076 10.458 8.723 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.077 9.758 7.617 1.00 0.00 C ATOM 1554 CG ASP B 10 -0.849 10.790 8.704 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.647 11.746 8.795 1.00 0.00 O ATOM 1556 OD2 ASP B 10 0.129 10.640 9.468 1.00 0.00 O ATOM 0 H ASP B 10 -1.777 7.969 6.077 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.421 8.538 8.761 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.258 9.038 7.627 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.058 10.250 6.644 1.00 0.00 H new ATOM 1561 N TYR B 11 -3.984 10.312 6.479 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.086 11.241 6.257 1.00 0.00 C ATOM 1563 C TYR B 11 -6.363 10.763 6.944 1.00 0.00 C ATOM 1564 O TYR B 11 -6.972 11.497 7.722 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.344 11.405 4.759 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.514 12.309 4.440 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.518 13.640 4.838 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.613 11.830 3.738 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -7.586 14.468 4.546 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -8.684 12.651 3.442 1.00 0.00 C ATOM 1571 CZ TYR B 11 -8.667 13.969 3.849 1.00 0.00 C ATOM 1572 OH TYR B 11 -9.732 14.790 3.558 1.00 0.00 O ATOM 0 H TYR B 11 -3.571 9.938 5.624 1.00 0.00 H new ATOM 0 HA TYR B 11 -4.802 12.201 6.687 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.447 11.805 4.286 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.524 10.423 4.321 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -5.674 14.034 5.384 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.630 10.799 3.418 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -7.574 15.501 4.862 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.530 12.263 2.895 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.409 14.284 3.062 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.764 9.532 6.645 1.00 0.00 N ATOM 1583 CA LEU B 12 -7.971 8.959 7.229 1.00 0.00 C ATOM 1584 C LEU B 12 -7.830 8.796 8.739 1.00 0.00 C ATOM 1585 O LEU B 12 -8.705 9.209 9.500 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.282 7.611 6.576 1.00 0.00 C ATOM 1587 CG LEU B 12 -8.626 7.681 5.086 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -8.790 6.284 4.508 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -9.895 8.494 4.871 1.00 0.00 C ATOM 0 H LEU B 12 -6.271 8.912 6.002 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.797 9.645 7.042 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.422 6.954 6.705 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -9.116 7.151 7.105 1.00 0.00 H new ATOM 0 HG LEU B 12 -7.804 8.175 4.568 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.034 6.355 3.448 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.860 5.728 4.630 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.593 5.766 5.031 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.125 8.534 3.806 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -10.722 8.025 5.404 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -9.747 9.506 5.248 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.725 8.194 9.167 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.471 7.981 10.587 1.00 0.00 C ATOM 1603 C GLU B 13 -6.303 9.311 11.315 1.00 0.00 C ATOM 1604 O GLU B 13 -6.403 9.320 12.560 1.00 0.00 O ATOM 1605 CB GLU B 13 -5.223 7.118 10.782 1.00 0.00 C ATOM 1606 CG GLU B 13 -5.342 5.732 10.169 1.00 0.00 C ATOM 1607 CD GLU B 13 -4.093 4.895 10.369 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -3.016 5.311 9.891 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -4.191 3.824 11.005 1.00 0.00 O ATOM 1610 OXT GLU B 13 -6.072 10.332 10.634 1.00 0.00 O ATOM 0 H GLU B 13 -5.991 7.845 8.550 1.00 0.00 H new ATOM 0 HA GLU B 13 -7.331 7.462 11.009 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.366 7.628 10.343 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -5.023 7.019 11.849 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -6.195 5.216 10.610 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.544 5.827 9.102 1.00 0.00 H new TER 1617 GLU B 13