USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 566 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 15 ASN :FLIP amide:sc= 1.06 F(o=-0.38,f=1.1) USER MOD Single : A 18 CYS SG : rot -60:sc= -0.0245 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.11) USER MOD Single : A 25 MET CE :methyl -131:sc= -1.16 (180deg=-2.65!) USER MOD Single : A 27 SER OG : rot 120:sc= 0.0675 USER MOD Single : A 28 TYR OH : rot 180:sc=-0.00104 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -133:sc= 0.846 (180deg=0.19) USER MOD Single : A 38 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= -0.0101 (180deg=-0.153) USER MOD Single : A 43 THR OG1 : rot 91:sc= 1.03 USER MOD Single : A 49 ASN : amide:sc= 0.0608 X(o=0.061,f=0) USER MOD Single : A 50 THR OG1 : rot -9:sc= 1.04 USER MOD Single : A 51 SER OG : rot 77:sc= 0.95 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.986 USER MOD Single : A 59 CYS SG : rot 35:sc= 1.04 USER MOD Single : A 64 MET CE :methyl -176:sc= -3.72 (180deg=-3.81) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= -0.026 (180deg=-0.226) USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= -0.0241 (180deg=-0.222) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= -0.01 (180deg=-0.1) USER MOD Single : A 73 SER OG : rot 70:sc= -1.53! USER MOD Single : A 83 ASN : amide:sc= -0.0706 K(o=-0.071,f=-0.76) USER MOD Single : A 84 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0116) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 15 -4.979 4.361 4.123 1.00 0.92 N ATOM 2 CA ASN A 15 -5.884 3.600 5.017 1.00 0.85 C ATOM 3 C ASN A 15 -7.142 4.405 5.352 1.00 0.80 C ATOM 4 O ASN A 15 -8.156 3.830 5.738 1.00 0.75 O ATOM 5 CB ASN A 15 -5.149 3.197 6.304 1.00 0.93 C ATOM 6 CG ASN A 15 -4.645 4.389 7.102 1.00 1.63 C ATOM 7 OD1 ASN A 15 -4.529 4.220 8.410 1.00 2.49 O flip ATOM 8 ND2 ASN A 15 -4.349 5.446 6.544 1.00 1.95 N flip ATOM 0 HA ASN A 15 -6.194 2.698 4.490 1.00 0.85 H new ATOM 0 HB2 ASN A 15 -5.820 2.607 6.929 1.00 0.93 H new ATOM 0 HB3 ASN A 15 -4.305 2.556 6.048 1.00 0.93 H new ATOM 0 HD21 ASN A 15 -4.453 5.536 5.533 1.00 1.95 H new ATOM 0 HD22 ASN A 15 -4.000 6.232 7.092 1.00 1.95 H new ATOM 17 N ASP A 16 -7.094 5.725 5.162 1.00 0.85 N ATOM 18 CA ASP A 16 -8.203 6.601 5.555 1.00 0.87 C ATOM 19 C ASP A 16 -9.434 6.356 4.688 1.00 0.75 C ATOM 20 O ASP A 16 -10.564 6.361 5.181 1.00 0.74 O ATOM 21 CB ASP A 16 -7.786 8.071 5.458 1.00 1.00 C ATOM 22 CG ASP A 16 -6.693 8.434 6.442 1.00 1.63 C ATOM 23 OD1 ASP A 16 -7.001 8.637 7.635 1.00 1.81 O ATOM 24 OD2 ASP A 16 -5.520 8.522 6.030 1.00 2.46 O ATOM 0 H ASP A 16 -6.303 6.211 4.740 1.00 0.85 H new ATOM 0 HA ASP A 16 -8.458 6.368 6.589 1.00 0.87 H new ATOM 0 HB2 ASP A 16 -7.442 8.281 4.445 1.00 1.00 H new ATOM 0 HB3 ASP A 16 -8.655 8.704 5.637 1.00 1.00 H new ATOM 29 N ILE A 17 -9.205 6.133 3.400 1.00 0.70 N ATOM 30 CA ILE A 17 -10.290 5.812 2.479 1.00 0.64 C ATOM 31 C ILE A 17 -10.916 4.481 2.864 1.00 0.57 C ATOM 32 O ILE A 17 -12.132 4.359 2.994 1.00 0.57 O ATOM 33 CB ILE A 17 -9.809 5.741 1.006 1.00 0.65 C ATOM 34 CG1 ILE A 17 -9.439 7.130 0.492 1.00 0.74 C ATOM 35 CG2 ILE A 17 -10.880 5.126 0.113 1.00 0.65 C ATOM 36 CD1 ILE A 17 -8.162 7.683 1.072 1.00 0.80 C ATOM 0 H ILE A 17 -8.281 6.168 2.970 1.00 0.70 H new ATOM 0 HA ILE A 17 -11.024 6.614 2.553 1.00 0.64 H new ATOM 0 HB ILE A 17 -8.923 5.106 0.975 1.00 0.65 H new ATOM 0 HG12 ILE A 17 -9.345 7.091 -0.593 1.00 0.74 H new ATOM 0 HG13 ILE A 17 -10.255 7.817 0.716 1.00 0.74 H new ATOM 0 HG21 ILE A 17 -10.519 5.087 -0.915 1.00 0.65 H new ATOM 0 HG22 ILE A 17 -11.105 4.116 0.457 1.00 0.65 H new ATOM 0 HG23 ILE A 17 -11.784 5.734 0.157 1.00 0.65 H new ATOM 0 HD11 ILE A 17 -7.971 8.672 0.655 1.00 0.80 H new ATOM 0 HD12 ILE A 17 -8.257 7.758 2.155 1.00 0.80 H new ATOM 0 HD13 ILE A 17 -7.333 7.020 0.825 1.00 0.80 H new ATOM 48 N CYS A 18 -10.048 3.502 3.065 1.00 0.55 N ATOM 49 CA CYS A 18 -10.443 2.150 3.435 1.00 0.51 C ATOM 50 C CYS A 18 -11.303 2.163 4.693 1.00 0.53 C ATOM 51 O CYS A 18 -12.290 1.437 4.801 1.00 0.51 O ATOM 52 CB CYS A 18 -9.181 1.325 3.667 1.00 0.52 C ATOM 53 SG CYS A 18 -7.889 1.635 2.437 1.00 1.35 S ATOM 0 H CYS A 18 -9.039 3.624 2.975 1.00 0.55 H new ATOM 0 HA CYS A 18 -11.036 1.711 2.632 1.00 0.51 H new ATOM 0 HB2 CYS A 18 -8.789 1.545 4.660 1.00 0.52 H new ATOM 0 HB3 CYS A 18 -9.439 0.266 3.654 1.00 0.52 H new ATOM 0 HG CYS A 18 -8.337 1.338 1.253 1.00 1.35 H new ATOM 59 N LEU A 19 -10.914 3.013 5.628 1.00 0.58 N ATOM 60 CA LEU A 19 -11.636 3.188 6.875 1.00 0.63 C ATOM 61 C LEU A 19 -13.047 3.691 6.610 1.00 0.63 C ATOM 62 O LEU A 19 -14.032 3.106 7.062 1.00 0.63 O ATOM 63 CB LEU A 19 -10.889 4.197 7.733 1.00 0.72 C ATOM 64 CG LEU A 19 -11.498 4.493 9.105 1.00 0.83 C ATOM 65 CD1 LEU A 19 -11.557 3.234 9.957 1.00 1.14 C ATOM 66 CD2 LEU A 19 -10.699 5.576 9.809 1.00 1.16 C ATOM 0 H LEU A 19 -10.086 3.603 5.543 1.00 0.58 H new ATOM 0 HA LEU A 19 -11.703 2.229 7.390 1.00 0.63 H new ATOM 0 HB2 LEU A 19 -9.871 3.836 7.880 1.00 0.72 H new ATOM 0 HB3 LEU A 19 -10.819 5.133 7.179 1.00 0.72 H new ATOM 0 HG LEU A 19 -12.518 4.848 8.959 1.00 0.83 H new ATOM 0 HD11 LEU A 19 -11.994 3.471 10.927 1.00 1.14 H new ATOM 0 HD12 LEU A 19 -12.170 2.484 9.457 1.00 1.14 H new ATOM 0 HD13 LEU A 19 -10.549 2.843 10.099 1.00 1.14 H new ATOM 0 HD21 LEU A 19 -11.141 5.779 10.784 1.00 1.16 H new ATOM 0 HD22 LEU A 19 -9.670 5.242 9.940 1.00 1.16 H new ATOM 0 HD23 LEU A 19 -10.712 6.486 9.209 1.00 1.16 H new ATOM 78 N ARG A 20 -13.128 4.783 5.866 1.00 0.64 N ATOM 79 CA ARG A 20 -14.407 5.412 5.548 1.00 0.65 C ATOM 80 C ARG A 20 -15.308 4.465 4.754 1.00 0.58 C ATOM 81 O ARG A 20 -16.535 4.546 4.831 1.00 0.60 O ATOM 82 CB ARG A 20 -14.181 6.694 4.748 1.00 0.69 C ATOM 83 CG ARG A 20 -15.366 7.640 4.801 1.00 0.82 C ATOM 84 CD ARG A 20 -15.509 8.254 6.184 1.00 1.37 C ATOM 85 NE ARG A 20 -16.654 9.156 6.286 1.00 2.06 N ATOM 86 CZ ARG A 20 -16.806 10.045 7.266 1.00 2.90 C ATOM 87 NH1 ARG A 20 -15.875 10.168 8.205 1.00 3.23 N ATOM 88 NH2 ARG A 20 -17.886 10.813 7.306 1.00 3.84 N ATOM 0 H ARG A 20 -12.318 5.258 5.467 1.00 0.64 H new ATOM 0 HA ARG A 20 -14.903 5.652 6.489 1.00 0.65 H new ATOM 0 HB2 ARG A 20 -13.298 7.205 5.132 1.00 0.69 H new ATOM 0 HB3 ARG A 20 -13.974 6.436 3.709 1.00 0.69 H new ATOM 0 HG2 ARG A 20 -15.240 8.429 4.060 1.00 0.82 H new ATOM 0 HG3 ARG A 20 -16.278 7.102 4.542 1.00 0.82 H new ATOM 0 HD2 ARG A 20 -15.612 7.458 6.921 1.00 1.37 H new ATOM 0 HD3 ARG A 20 -14.598 8.800 6.430 1.00 1.37 H new ATOM 0 HE ARG A 20 -17.376 9.102 5.568 1.00 2.06 H new ATOM 0 HH11 ARG A 20 -15.041 9.581 8.177 1.00 3.23 H new ATOM 0 HH12 ARG A 20 -15.994 10.850 8.955 1.00 3.23 H new ATOM 0 HH21 ARG A 20 -18.602 10.724 6.585 1.00 3.84 H new ATOM 0 HH22 ARG A 20 -18.001 11.493 8.057 1.00 3.84 H new ATOM 102 N LYS A 21 -14.686 3.573 3.993 1.00 0.51 N ATOM 103 CA LYS A 21 -15.399 2.579 3.193 1.00 0.46 C ATOM 104 C LYS A 21 -15.990 1.464 4.047 1.00 0.45 C ATOM 105 O LYS A 21 -16.582 0.517 3.527 1.00 0.44 O ATOM 106 CB LYS A 21 -14.450 1.982 2.165 1.00 0.41 C ATOM 107 CG LYS A 21 -14.205 2.894 0.985 1.00 0.52 C ATOM 108 CD LYS A 21 -15.505 3.228 0.283 1.00 0.72 C ATOM 109 CE LYS A 21 -16.143 1.997 -0.340 1.00 0.72 C ATOM 110 NZ LYS A 21 -17.389 2.331 -1.071 1.00 1.10 N ATOM 0 H LYS A 21 -13.671 3.517 3.912 1.00 0.51 H new ATOM 0 HA LYS A 21 -16.227 3.087 2.699 1.00 0.46 H new ATOM 0 HB2 LYS A 21 -13.498 1.756 2.646 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -14.859 1.037 1.808 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -13.723 3.811 1.323 1.00 0.52 H new ATOM 0 HG3 LYS A 21 -13.521 2.414 0.285 1.00 0.52 H new ATOM 0 HD2 LYS A 21 -16.198 3.675 0.995 1.00 0.72 H new ATOM 0 HD3 LYS A 21 -15.319 3.972 -0.491 1.00 0.72 H new ATOM 0 HE2 LYS A 21 -15.435 1.528 -1.024 1.00 0.72 H new ATOM 0 HE3 LYS A 21 -16.364 1.268 0.440 1.00 0.72 H new ATOM 0 HZ1 LYS A 21 -17.794 1.465 -1.481 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -18.074 2.756 -0.414 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.175 3.007 -1.832 1.00 1.10 H new ATOM 124 N ASN A 22 -15.813 1.598 5.356 1.00 0.48 N ATOM 125 CA ASN A 22 -16.316 0.635 6.331 1.00 0.50 C ATOM 126 C ASN A 22 -15.635 -0.717 6.131 1.00 0.42 C ATOM 127 O ASN A 22 -16.249 -1.776 6.250 1.00 0.49 O ATOM 128 CB ASN A 22 -17.843 0.515 6.221 1.00 0.59 C ATOM 129 CG ASN A 22 -18.494 -0.152 7.423 1.00 1.08 C ATOM 130 OD1 ASN A 22 -18.801 0.508 8.417 1.00 1.55 O ATOM 131 ND2 ASN A 22 -18.740 -1.451 7.333 1.00 1.92 N ATOM 0 H ASN A 22 -15.313 2.383 5.775 1.00 0.48 H new ATOM 0 HA ASN A 22 -16.081 0.986 7.336 1.00 0.50 H new ATOM 0 HB2 ASN A 22 -18.268 1.511 6.095 1.00 0.59 H new ATOM 0 HB3 ASN A 22 -18.090 -0.053 5.324 1.00 0.59 H new ATOM 0 HD21 ASN A 22 -19.198 -1.938 8.103 1.00 1.92 H new ATOM 0 HD22 ASN A 22 -18.471 -1.964 6.493 1.00 1.92 H new ATOM 138 N TRP A 23 -14.358 -0.665 5.804 1.00 0.35 N ATOM 139 CA TRP A 23 -13.558 -1.866 5.647 1.00 0.29 C ATOM 140 C TRP A 23 -12.663 -2.048 6.865 1.00 0.34 C ATOM 141 O TRP A 23 -12.442 -1.102 7.626 1.00 0.40 O ATOM 142 CB TRP A 23 -12.696 -1.777 4.380 1.00 0.26 C ATOM 143 CG TRP A 23 -13.476 -1.734 3.097 1.00 0.24 C ATOM 144 CD1 TRP A 23 -14.690 -2.307 2.844 1.00 0.25 C ATOM 145 CD2 TRP A 23 -13.071 -1.106 1.876 1.00 0.24 C ATOM 146 NE1 TRP A 23 -15.065 -2.062 1.543 1.00 0.25 N ATOM 147 CE2 TRP A 23 -14.088 -1.328 0.930 1.00 0.25 C ATOM 148 CE3 TRP A 23 -11.947 -0.370 1.493 1.00 0.27 C ATOM 149 CZ2 TRP A 23 -14.011 -0.843 -0.374 1.00 0.29 C ATOM 150 CZ3 TRP A 23 -11.874 0.109 0.203 1.00 0.31 C ATOM 151 CH2 TRP A 23 -12.898 -0.128 -0.718 1.00 0.31 C ATOM 0 H TRP A 23 -13.848 0.203 5.641 1.00 0.35 H new ATOM 0 HA TRP A 23 -14.227 -2.722 5.554 1.00 0.29 H new ATOM 0 HB2 TRP A 23 -12.073 -0.885 4.442 1.00 0.26 H new ATOM 0 HB3 TRP A 23 -12.023 -2.634 4.353 1.00 0.26 H new ATOM 0 HD1 TRP A 23 -15.270 -2.870 3.560 1.00 0.25 H new ATOM 0 HE1 TRP A 23 -15.931 -2.377 1.107 1.00 0.25 H new ATOM 0 HE3 TRP A 23 -11.149 -0.180 2.196 1.00 0.27 H new ATOM 0 HZ2 TRP A 23 -14.802 -1.025 -1.087 1.00 0.29 H new ATOM 0 HZ3 TRP A 23 -11.009 0.679 -0.102 1.00 0.31 H new ATOM 0 HH2 TRP A 23 -12.808 0.261 -1.721 1.00 0.31 H new ATOM 162 N PRO A 24 -12.167 -3.270 7.095 1.00 0.34 N ATOM 163 CA PRO A 24 -11.166 -3.523 8.127 1.00 0.40 C ATOM 164 C PRO A 24 -9.835 -2.864 7.780 1.00 0.39 C ATOM 165 O PRO A 24 -9.693 -2.261 6.713 1.00 0.41 O ATOM 166 CB PRO A 24 -11.035 -5.045 8.148 1.00 0.43 C ATOM 167 CG PRO A 24 -11.520 -5.494 6.819 1.00 0.44 C ATOM 168 CD PRO A 24 -12.561 -4.500 6.390 1.00 0.34 C ATOM 0 HA PRO A 24 -11.453 -3.112 9.095 1.00 0.40 H new ATOM 0 HB2 PRO A 24 -10.002 -5.349 8.314 1.00 0.43 H new ATOM 0 HB3 PRO A 24 -11.628 -5.481 8.952 1.00 0.43 H new ATOM 0 HG2 PRO A 24 -10.702 -5.534 6.100 1.00 0.44 H new ATOM 0 HG3 PRO A 24 -11.942 -6.497 6.878 1.00 0.44 H new ATOM 0 HD2 PRO A 24 -12.563 -4.361 5.309 1.00 0.34 H new ATOM 0 HD3 PRO A 24 -13.564 -4.821 6.672 1.00 0.34 H new ATOM 176 N MET A 25 -8.857 -2.988 8.662 1.00 0.47 N ATOM 177 CA MET A 25 -7.579 -2.332 8.469 1.00 0.47 C ATOM 178 C MET A 25 -6.792 -3.004 7.354 1.00 0.38 C ATOM 179 O MET A 25 -6.606 -4.222 7.358 1.00 0.44 O ATOM 180 CB MET A 25 -6.789 -2.365 9.771 1.00 0.61 C ATOM 181 CG MET A 25 -7.488 -1.667 10.930 1.00 0.70 C ATOM 182 SD MET A 25 -7.396 0.139 10.850 1.00 0.90 S ATOM 183 CE MET A 25 -8.823 0.549 9.837 1.00 1.00 C ATOM 0 H MET A 25 -8.926 -3.538 9.518 1.00 0.47 H new ATOM 0 HA MET A 25 -7.754 -1.295 8.181 1.00 0.47 H new ATOM 0 HB2 MET A 25 -6.600 -3.403 10.045 1.00 0.61 H new ATOM 0 HB3 MET A 25 -5.818 -1.896 9.609 1.00 0.61 H new ATOM 0 HG2 MET A 25 -8.535 -1.969 10.947 1.00 0.70 H new ATOM 0 HG3 MET A 25 -7.044 -2.004 11.867 1.00 0.70 H new ATOM 0 HE1 MET A 25 -8.522 1.236 9.046 1.00 1.00 H new ATOM 0 HE2 MET A 25 -9.227 -0.361 9.393 1.00 1.00 H new ATOM 0 HE3 MET A 25 -9.586 1.020 10.457 1.00 1.00 H new ATOM 193 N PRO A 26 -6.335 -2.210 6.373 1.00 0.32 N ATOM 194 CA PRO A 26 -5.562 -2.717 5.241 1.00 0.25 C ATOM 195 C PRO A 26 -4.247 -3.342 5.685 1.00 0.23 C ATOM 196 O PRO A 26 -3.743 -3.059 6.776 1.00 0.27 O ATOM 197 CB PRO A 26 -5.280 -1.479 4.389 1.00 0.30 C ATOM 198 CG PRO A 26 -6.240 -0.443 4.856 1.00 0.46 C ATOM 199 CD PRO A 26 -6.530 -0.753 6.294 1.00 0.44 C ATOM 0 HA PRO A 26 -6.105 -3.497 4.708 1.00 0.25 H new ATOM 0 HB2 PRO A 26 -4.250 -1.144 4.514 1.00 0.30 H new ATOM 0 HB3 PRO A 26 -5.419 -1.693 3.329 1.00 0.30 H new ATOM 0 HG2 PRO A 26 -5.815 0.555 4.752 1.00 0.46 H new ATOM 0 HG3 PRO A 26 -7.154 -0.464 4.262 1.00 0.46 H new ATOM 0 HD2 PRO A 26 -5.856 -0.220 6.964 1.00 0.44 H new ATOM 0 HD3 PRO A 26 -7.545 -0.468 6.570 1.00 0.44 H new ATOM 207 N SER A 27 -3.696 -4.177 4.832 1.00 0.20 N ATOM 208 CA SER A 27 -2.446 -4.847 5.123 1.00 0.20 C ATOM 209 C SER A 27 -1.285 -3.987 4.662 1.00 0.17 C ATOM 210 O SER A 27 -1.348 -3.374 3.596 1.00 0.17 O ATOM 211 CB SER A 27 -2.403 -6.193 4.412 1.00 0.25 C ATOM 212 OG SER A 27 -1.335 -7.002 4.873 1.00 0.30 O ATOM 0 H SER A 27 -4.097 -4.410 3.924 1.00 0.20 H new ATOM 0 HA SER A 27 -2.369 -5.008 6.198 1.00 0.20 H new ATOM 0 HB2 SER A 27 -3.347 -6.715 4.567 1.00 0.25 H new ATOM 0 HB3 SER A 27 -2.300 -6.033 3.339 1.00 0.25 H new ATOM 0 HG SER A 27 -1.693 -7.833 5.249 1.00 0.30 H new ATOM 218 N TYR A 28 -0.232 -3.953 5.453 1.00 0.17 N ATOM 219 CA TYR A 28 0.950 -3.189 5.120 1.00 0.17 C ATOM 220 C TYR A 28 2.175 -4.037 5.448 1.00 0.20 C ATOM 221 O TYR A 28 2.470 -4.282 6.621 1.00 0.25 O ATOM 222 CB TYR A 28 0.998 -1.864 5.899 1.00 0.20 C ATOM 223 CG TYR A 28 0.005 -0.817 5.427 1.00 0.19 C ATOM 224 CD1 TYR A 28 -1.300 -0.798 5.900 1.00 0.20 C ATOM 225 CD2 TYR A 28 0.380 0.151 4.505 1.00 0.22 C ATOM 226 CE1 TYR A 28 -2.203 0.157 5.466 1.00 0.23 C ATOM 227 CE2 TYR A 28 -0.513 1.109 4.064 1.00 0.25 C ATOM 228 CZ TYR A 28 -1.806 1.108 4.548 1.00 0.25 C ATOM 229 OH TYR A 28 -2.707 2.054 4.106 1.00 0.30 O ATOM 0 H TYR A 28 -0.173 -4.452 6.341 1.00 0.17 H new ATOM 0 HA TYR A 28 0.931 -2.941 4.059 1.00 0.17 H new ATOM 0 HB2 TYR A 28 0.814 -2.071 6.953 1.00 0.20 H new ATOM 0 HB3 TYR A 28 2.004 -1.451 5.826 1.00 0.20 H new ATOM 0 HD1 TYR A 28 -1.616 -1.540 6.618 1.00 0.20 H new ATOM 0 HD2 TYR A 28 1.391 0.155 4.125 1.00 0.22 H new ATOM 0 HE1 TYR A 28 -3.215 0.158 5.844 1.00 0.23 H new ATOM 0 HE2 TYR A 28 -0.202 1.853 3.346 1.00 0.25 H new ATOM 0 HH TYR A 28 -2.268 2.649 3.463 1.00 0.30 H new ATOM 239 N ARG A 29 2.891 -4.481 4.422 1.00 0.23 N ATOM 240 CA ARG A 29 3.988 -5.422 4.600 1.00 0.33 C ATOM 241 C ARG A 29 5.193 -5.011 3.766 1.00 0.24 C ATOM 242 O ARG A 29 5.113 -4.955 2.537 1.00 0.22 O ATOM 243 CB ARG A 29 3.534 -6.822 4.193 1.00 0.50 C ATOM 244 CG ARG A 29 4.638 -7.865 4.242 1.00 1.34 C ATOM 245 CD ARG A 29 4.172 -9.190 3.668 1.00 1.55 C ATOM 246 NE ARG A 29 3.020 -9.735 4.384 1.00 2.13 N ATOM 247 CZ ARG A 29 2.088 -10.497 3.814 1.00 2.75 C ATOM 248 NH1 ARG A 29 2.143 -10.763 2.514 1.00 2.84 N ATOM 249 NH2 ARG A 29 1.086 -10.978 4.539 1.00 3.69 N ATOM 0 H ARG A 29 2.730 -4.202 3.454 1.00 0.23 H new ATOM 0 HA ARG A 29 4.278 -5.421 5.651 1.00 0.33 H new ATOM 0 HB2 ARG A 29 2.722 -7.135 4.849 1.00 0.50 H new ATOM 0 HB3 ARG A 29 3.129 -6.783 3.182 1.00 0.50 H new ATOM 0 HG2 ARG A 29 5.503 -7.508 3.683 1.00 1.34 H new ATOM 0 HG3 ARG A 29 4.961 -8.007 5.273 1.00 1.34 H new ATOM 0 HD2 ARG A 29 3.913 -9.057 2.618 1.00 1.55 H new ATOM 0 HD3 ARG A 29 4.992 -9.907 3.706 1.00 1.55 H new ATOM 0 HE ARG A 29 2.924 -9.520 5.376 1.00 2.13 H new ATOM 0 HH11 ARG A 29 2.901 -10.383 1.947 1.00 2.84 H new ATOM 0 HH12 ARG A 29 1.427 -11.347 2.082 1.00 2.84 H new ATOM 0 HH21 ARG A 29 1.028 -10.764 5.535 1.00 3.69 H new ATOM 0 HH22 ARG A 29 0.373 -11.561 4.101 1.00 3.69 H new ATOM 263 N CYS A 30 6.303 -4.720 4.429 1.00 0.31 N ATOM 264 CA CYS A 30 7.530 -4.365 3.732 1.00 0.31 C ATOM 265 C CYS A 30 7.998 -5.525 2.862 1.00 0.27 C ATOM 266 O CYS A 30 8.310 -6.607 3.364 1.00 0.30 O ATOM 267 CB CYS A 30 8.618 -3.970 4.730 1.00 0.45 C ATOM 268 SG CYS A 30 8.214 -2.500 5.704 1.00 1.53 S ATOM 0 H CYS A 30 6.379 -4.723 5.446 1.00 0.31 H new ATOM 0 HA CYS A 30 7.328 -3.509 3.089 1.00 0.31 H new ATOM 0 HB2 CYS A 30 8.798 -4.805 5.407 1.00 0.45 H new ATOM 0 HB3 CYS A 30 9.547 -3.792 4.189 1.00 0.45 H new ATOM 0 HG CYS A 30 9.189 -2.241 6.523 1.00 1.53 H new ATOM 274 N VAL A 31 8.029 -5.295 1.557 1.00 0.26 N ATOM 275 CA VAL A 31 8.358 -6.342 0.604 1.00 0.28 C ATOM 276 C VAL A 31 9.859 -6.427 0.393 1.00 0.27 C ATOM 277 O VAL A 31 10.426 -7.521 0.339 1.00 0.32 O ATOM 278 CB VAL A 31 7.660 -6.108 -0.753 1.00 0.34 C ATOM 279 CG1 VAL A 31 8.041 -7.187 -1.755 1.00 1.15 C ATOM 280 CG2 VAL A 31 6.152 -6.057 -0.573 1.00 1.15 C ATOM 0 H VAL A 31 7.829 -4.389 1.134 1.00 0.26 H new ATOM 0 HA VAL A 31 8.000 -7.283 1.022 1.00 0.28 H new ATOM 0 HB VAL A 31 7.996 -5.148 -1.146 1.00 0.34 H new ATOM 0 HG11 VAL A 31 7.536 -6.999 -2.702 1.00 1.15 H new ATOM 0 HG12 VAL A 31 9.120 -7.175 -1.910 1.00 1.15 H new ATOM 0 HG13 VAL A 31 7.741 -8.162 -1.371 1.00 1.15 H new ATOM 0 HG21 VAL A 31 5.676 -5.891 -1.539 1.00 1.15 H new ATOM 0 HG22 VAL A 31 5.804 -7.001 -0.154 1.00 1.15 H new ATOM 0 HG23 VAL A 31 5.894 -5.242 0.103 1.00 1.15 H new ATOM 290 N LYS A 32 10.517 -5.282 0.289 1.00 0.24 N ATOM 291 CA LYS A 32 11.952 -5.261 0.049 1.00 0.26 C ATOM 292 C LYS A 32 12.631 -4.174 0.868 1.00 0.31 C ATOM 293 O LYS A 32 12.187 -3.023 0.891 1.00 0.31 O ATOM 294 CB LYS A 32 12.251 -5.029 -1.428 1.00 0.30 C ATOM 295 CG LYS A 32 13.713 -5.231 -1.796 1.00 0.61 C ATOM 296 CD LYS A 32 14.115 -6.696 -1.708 1.00 1.14 C ATOM 297 CE LYS A 32 15.569 -6.905 -2.103 1.00 1.37 C ATOM 298 NZ LYS A 32 16.506 -6.271 -1.139 1.00 2.25 N ATOM 0 H LYS A 32 10.084 -4.362 0.366 1.00 0.24 H new ATOM 0 HA LYS A 32 12.344 -6.232 0.351 1.00 0.26 H new ATOM 0 HB2 LYS A 32 11.639 -5.706 -2.024 1.00 0.30 H new ATOM 0 HB3 LYS A 32 11.956 -4.014 -1.694 1.00 0.30 H new ATOM 0 HG2 LYS A 32 13.888 -4.865 -2.808 1.00 0.61 H new ATOM 0 HG3 LYS A 32 14.342 -4.640 -1.130 1.00 0.61 H new ATOM 0 HD2 LYS A 32 13.959 -7.056 -0.691 1.00 1.14 H new ATOM 0 HD3 LYS A 32 13.472 -7.289 -2.358 1.00 1.14 H new ATOM 0 HE2 LYS A 32 15.778 -7.973 -2.163 1.00 1.37 H new ATOM 0 HE3 LYS A 32 15.737 -6.491 -3.097 1.00 1.37 H new ATOM 0 HZ1 LYS A 32 17.227 -5.731 -1.659 1.00 2.25 H new ATOM 0 HZ2 LYS A 32 15.979 -5.630 -0.513 1.00 2.25 H new ATOM 0 HZ3 LYS A 32 16.969 -7.008 -0.570 1.00 2.25 H new ATOM 312 N GLU A 33 13.695 -4.565 1.542 1.00 0.52 N ATOM 313 CA GLU A 33 14.551 -3.628 2.263 1.00 0.65 C ATOM 314 C GLU A 33 15.805 -3.360 1.430 1.00 0.98 C ATOM 315 O GLU A 33 16.170 -4.194 0.598 1.00 1.39 O ATOM 316 CB GLU A 33 14.896 -4.199 3.647 1.00 1.01 C ATOM 317 CG GLU A 33 15.488 -3.193 4.628 1.00 1.34 C ATOM 318 CD GLU A 33 17.001 -3.117 4.575 1.00 1.80 C ATOM 319 OE1 GLU A 33 17.662 -4.156 4.785 1.00 1.99 O ATOM 320 OE2 GLU A 33 17.532 -2.022 4.299 1.00 2.60 O ATOM 0 H GLU A 33 13.995 -5.538 1.609 1.00 0.52 H new ATOM 0 HA GLU A 33 14.034 -2.681 2.419 1.00 0.65 H new ATOM 0 HB2 GLU A 33 13.992 -4.622 4.085 1.00 1.01 H new ATOM 0 HB3 GLU A 33 15.603 -5.019 3.520 1.00 1.01 H new ATOM 0 HG2 GLU A 33 15.075 -2.206 4.418 1.00 1.34 H new ATOM 0 HG3 GLU A 33 15.180 -3.459 5.639 1.00 1.34 H new ATOM 327 N GLY A 34 16.450 -2.215 1.616 1.00 1.02 N ATOM 328 CA GLY A 34 17.541 -1.853 0.745 1.00 1.52 C ATOM 329 C GLY A 34 18.773 -2.707 0.935 1.00 1.29 C ATOM 330 O GLY A 34 19.118 -3.513 0.064 1.00 1.69 O ATOM 0 H GLY A 34 16.236 -1.539 2.349 1.00 1.02 H new ATOM 0 HA2 GLY A 34 17.210 -1.932 -0.291 1.00 1.52 H new ATOM 0 HA3 GLY A 34 17.802 -0.809 0.918 1.00 1.52 H new ATOM 334 N GLY A 35 19.432 -2.550 2.071 1.00 1.53 N ATOM 335 CA GLY A 35 20.725 -3.167 2.251 1.00 1.64 C ATOM 336 C GLY A 35 21.791 -2.159 2.631 1.00 1.92 C ATOM 337 O GLY A 35 21.661 -1.456 3.636 1.00 2.13 O ATOM 0 H GLY A 35 19.096 -2.009 2.868 1.00 1.53 H new ATOM 0 HA2 GLY A 35 20.657 -3.931 3.026 1.00 1.64 H new ATOM 0 HA3 GLY A 35 21.016 -3.672 1.330 1.00 1.64 H new ATOM 341 N PRO A 36 22.868 -2.101 1.845 1.00 2.06 N ATOM 342 CA PRO A 36 23.970 -1.142 2.024 1.00 2.40 C ATOM 343 C PRO A 36 23.552 0.320 1.806 1.00 2.43 C ATOM 344 O PRO A 36 22.369 0.651 1.837 1.00 3.00 O ATOM 345 CB PRO A 36 24.991 -1.568 0.957 1.00 2.51 C ATOM 346 CG PRO A 36 24.597 -2.952 0.566 1.00 2.43 C ATOM 347 CD PRO A 36 23.111 -3.016 0.732 1.00 2.06 C ATOM 0 HA PRO A 36 24.350 -1.167 3.045 1.00 2.40 H new ATOM 0 HB2 PRO A 36 24.968 -0.895 0.100 1.00 2.51 H new ATOM 0 HB3 PRO A 36 26.006 -1.545 1.353 1.00 2.51 H new ATOM 0 HG2 PRO A 36 24.885 -3.164 -0.464 1.00 2.43 H new ATOM 0 HG3 PRO A 36 25.093 -3.692 1.194 1.00 2.43 H new ATOM 0 HD2 PRO A 36 22.589 -2.701 -0.172 1.00 2.06 H new ATOM 0 HD3 PRO A 36 22.773 -4.027 0.959 1.00 2.06 H new ATOM 355 N ALA A 37 24.525 1.195 1.594 1.00 2.18 N ATOM 356 CA ALA A 37 24.242 2.616 1.417 1.00 2.20 C ATOM 357 C ALA A 37 23.734 2.922 0.012 1.00 1.91 C ATOM 358 O ALA A 37 22.741 3.632 -0.154 1.00 1.86 O ATOM 359 CB ALA A 37 25.476 3.446 1.723 1.00 2.61 C ATOM 0 H ALA A 37 25.514 0.950 1.540 1.00 2.18 H new ATOM 0 HA ALA A 37 23.452 2.881 2.119 1.00 2.20 H new ATOM 0 HB1 ALA A 37 25.247 4.503 1.586 1.00 2.61 H new ATOM 0 HB2 ALA A 37 25.785 3.272 2.754 1.00 2.61 H new ATOM 0 HB3 ALA A 37 26.283 3.159 1.049 1.00 2.61 H new ATOM 365 N HIS A 38 24.401 2.372 -1.000 1.00 1.80 N ATOM 366 CA HIS A 38 24.021 2.643 -2.387 1.00 1.61 C ATOM 367 C HIS A 38 22.693 1.982 -2.718 1.00 1.37 C ATOM 368 O HIS A 38 21.984 2.403 -3.627 1.00 1.39 O ATOM 369 CB HIS A 38 25.096 2.170 -3.375 1.00 1.69 C ATOM 370 CG HIS A 38 25.352 0.689 -3.375 1.00 1.73 C ATOM 371 ND1 HIS A 38 26.380 0.096 -2.677 1.00 2.01 N ATOM 372 CD2 HIS A 38 24.706 -0.316 -4.008 1.00 1.66 C ATOM 373 CE1 HIS A 38 26.355 -1.208 -2.881 1.00 2.10 C ATOM 374 NE2 HIS A 38 25.347 -1.484 -3.685 1.00 1.91 N ATOM 0 H HIS A 38 25.197 1.744 -0.890 1.00 1.80 H new ATOM 0 HA HIS A 38 23.920 3.724 -2.487 1.00 1.61 H new ATOM 0 HB2 HIS A 38 24.802 2.473 -4.380 1.00 1.69 H new ATOM 0 HB3 HIS A 38 26.029 2.685 -3.147 1.00 1.69 H new ATOM 0 HD2 HIS A 38 23.843 -0.217 -4.650 1.00 1.66 H new ATOM 0 HE1 HIS A 38 27.043 -1.927 -2.461 1.00 2.10 H new ATOM 0 HE2 HIS A 38 25.087 -2.414 -4.013 1.00 1.91 H new ATOM 383 N ALA A 39 22.373 0.940 -1.980 1.00 1.26 N ATOM 384 CA ALA A 39 21.105 0.264 -2.128 1.00 1.12 C ATOM 385 C ALA A 39 20.392 0.268 -0.797 1.00 0.93 C ATOM 386 O ALA A 39 20.590 -0.621 0.019 1.00 1.07 O ATOM 387 CB ALA A 39 21.301 -1.157 -2.630 1.00 1.28 C ATOM 0 H ALA A 39 22.981 0.541 -1.265 1.00 1.26 H new ATOM 0 HA ALA A 39 20.500 0.789 -2.867 1.00 1.12 H new ATOM 0 HB1 ALA A 39 20.331 -1.644 -2.733 1.00 1.28 H new ATOM 0 HB2 ALA A 39 21.800 -1.135 -3.599 1.00 1.28 H new ATOM 0 HB3 ALA A 39 21.912 -1.713 -1.919 1.00 1.28 H new ATOM 393 N LYS A 40 19.584 1.283 -0.574 1.00 0.78 N ATOM 394 CA LYS A 40 18.879 1.447 0.688 1.00 0.61 C ATOM 395 C LYS A 40 17.397 1.611 0.396 1.00 0.43 C ATOM 396 O LYS A 40 16.642 2.160 1.190 1.00 0.39 O ATOM 397 CB LYS A 40 19.404 2.631 1.497 1.00 0.71 C ATOM 398 CG LYS A 40 18.896 2.651 2.934 1.00 0.90 C ATOM 399 CD LYS A 40 19.425 1.477 3.740 1.00 0.86 C ATOM 400 CE LYS A 40 18.791 1.428 5.122 1.00 1.03 C ATOM 401 NZ LYS A 40 18.997 2.690 5.880 1.00 1.93 N ATOM 0 H LYS A 40 19.395 2.017 -1.257 1.00 0.78 H new ATOM 0 HA LYS A 40 19.048 0.560 1.298 1.00 0.61 H new ATOM 0 HB2 LYS A 40 20.494 2.603 1.504 1.00 0.71 H new ATOM 0 HB3 LYS A 40 19.113 3.558 1.003 1.00 0.71 H new ATOM 0 HG2 LYS A 40 19.196 3.584 3.412 1.00 0.90 H new ATOM 0 HG3 LYS A 40 17.806 2.629 2.934 1.00 0.90 H new ATOM 0 HD2 LYS A 40 19.220 0.547 3.210 1.00 0.86 H new ATOM 0 HD3 LYS A 40 20.508 1.557 3.836 1.00 0.86 H new ATOM 0 HE2 LYS A 40 17.723 1.236 5.023 1.00 1.03 H new ATOM 0 HE3 LYS A 40 19.214 0.595 5.684 1.00 1.03 H new ATOM 0 HZ1 LYS A 40 18.717 2.549 6.872 1.00 1.93 H new ATOM 0 HZ2 LYS A 40 20.001 2.960 5.839 1.00 1.93 H new ATOM 0 HZ3 LYS A 40 18.418 3.445 5.461 1.00 1.93 H new ATOM 415 N ARG A 41 16.994 1.154 -0.771 1.00 0.39 N ATOM 416 CA ARG A 41 15.653 1.407 -1.263 1.00 0.33 C ATOM 417 C ARG A 41 14.653 0.461 -0.627 1.00 0.28 C ATOM 418 O ARG A 41 14.899 -0.736 -0.488 1.00 0.36 O ATOM 419 CB ARG A 41 15.608 1.221 -2.779 1.00 0.39 C ATOM 420 CG ARG A 41 16.336 -0.032 -3.252 1.00 1.16 C ATOM 421 CD ARG A 41 15.933 -0.435 -4.661 1.00 1.48 C ATOM 422 NE ARG A 41 14.573 -0.977 -4.711 1.00 2.15 N ATOM 423 CZ ARG A 41 14.066 -1.630 -5.759 1.00 2.71 C ATOM 424 NH1 ARG A 41 14.806 -1.833 -6.843 1.00 2.69 N ATOM 425 NH2 ARG A 41 12.817 -2.079 -5.721 1.00 3.64 N ATOM 0 H ARG A 41 17.578 0.603 -1.400 1.00 0.39 H new ATOM 0 HA ARG A 41 15.391 2.432 -1.003 1.00 0.33 H new ATOM 0 HB2 ARG A 41 14.568 1.173 -3.102 1.00 0.39 H new ATOM 0 HB3 ARG A 41 16.051 2.094 -3.259 1.00 0.39 H new ATOM 0 HG2 ARG A 41 17.412 0.141 -3.220 1.00 1.16 H new ATOM 0 HG3 ARG A 41 16.124 -0.853 -2.567 1.00 1.16 H new ATOM 0 HD2 ARG A 41 16.002 0.431 -5.319 1.00 1.48 H new ATOM 0 HD3 ARG A 41 16.634 -1.179 -5.039 1.00 1.48 H new ATOM 0 HE ARG A 41 13.976 -0.847 -3.894 1.00 2.15 H new ATOM 0 HH11 ARG A 41 15.766 -1.489 -6.877 1.00 2.69 H new ATOM 0 HH12 ARG A 41 14.415 -2.333 -7.642 1.00 2.69 H new ATOM 0 HH21 ARG A 41 12.245 -1.925 -4.891 1.00 3.64 H new ATOM 0 HH22 ARG A 41 12.430 -2.578 -6.522 1.00 3.64 H new ATOM 439 N PHE A 42 13.512 1.015 -0.268 1.00 0.23 N ATOM 440 CA PHE A 42 12.451 0.257 0.348 1.00 0.24 C ATOM 441 C PHE A 42 11.302 0.128 -0.626 1.00 0.19 C ATOM 442 O PHE A 42 10.894 1.104 -1.258 1.00 0.20 O ATOM 443 CB PHE A 42 11.968 0.938 1.629 1.00 0.32 C ATOM 444 CG PHE A 42 13.014 1.024 2.699 1.00 0.33 C ATOM 445 CD1 PHE A 42 13.980 2.012 2.664 1.00 0.37 C ATOM 446 CD2 PHE A 42 13.025 0.117 3.739 1.00 0.71 C ATOM 447 CE1 PHE A 42 14.941 2.093 3.651 1.00 0.37 C ATOM 448 CE2 PHE A 42 13.981 0.190 4.734 1.00 0.79 C ATOM 449 CZ PHE A 42 14.960 1.183 4.672 1.00 0.46 C ATOM 0 H PHE A 42 13.298 2.004 -0.397 1.00 0.23 H new ATOM 0 HA PHE A 42 12.831 -0.731 0.609 1.00 0.24 H new ATOM 0 HB2 PHE A 42 11.625 1.944 1.388 1.00 0.32 H new ATOM 0 HB3 PHE A 42 11.108 0.393 2.017 1.00 0.32 H new ATOM 0 HD1 PHE A 42 13.983 2.728 1.856 1.00 0.37 H new ATOM 0 HD2 PHE A 42 12.276 -0.660 3.776 1.00 0.71 H new ATOM 0 HE1 PHE A 42 15.681 2.878 3.617 1.00 0.37 H new ATOM 0 HE2 PHE A 42 13.971 -0.515 5.552 1.00 0.79 H new ATOM 0 HZ PHE A 42 15.730 1.233 5.428 1.00 0.46 H new ATOM 459 N THR A 43 10.815 -1.080 -0.774 1.00 0.17 N ATOM 460 CA THR A 43 9.721 -1.359 -1.673 1.00 0.17 C ATOM 461 C THR A 43 8.665 -2.168 -0.938 1.00 0.17 C ATOM 462 O THR A 43 8.970 -3.200 -0.348 1.00 0.24 O ATOM 463 CB THR A 43 10.228 -2.121 -2.913 1.00 0.20 C ATOM 464 OG1 THR A 43 11.332 -1.406 -3.487 1.00 0.26 O ATOM 465 CG2 THR A 43 9.128 -2.269 -3.946 1.00 0.25 C ATOM 0 H THR A 43 11.166 -1.898 -0.275 1.00 0.17 H new ATOM 0 HA THR A 43 9.280 -0.422 -2.013 1.00 0.17 H new ATOM 0 HB THR A 43 10.545 -3.117 -2.605 1.00 0.20 H new ATOM 0 HG1 THR A 43 12.170 -1.730 -3.096 1.00 0.26 H new ATOM 0 HG21 THR A 43 9.512 -2.810 -4.811 1.00 0.25 H new ATOM 0 HG22 THR A 43 8.294 -2.821 -3.513 1.00 0.25 H new ATOM 0 HG23 THR A 43 8.786 -1.282 -4.258 1.00 0.25 H new ATOM 473 N PHE A 44 7.436 -1.689 -0.933 1.00 0.14 N ATOM 474 CA PHE A 44 6.382 -2.328 -0.173 1.00 0.12 C ATOM 475 C PHE A 44 5.089 -2.336 -0.992 1.00 0.13 C ATOM 476 O PHE A 44 4.900 -1.483 -1.861 1.00 0.16 O ATOM 477 CB PHE A 44 6.213 -1.584 1.170 1.00 0.14 C ATOM 478 CG PHE A 44 4.794 -1.310 1.562 1.00 0.13 C ATOM 479 CD1 PHE A 44 4.000 -2.325 2.051 1.00 0.14 C ATOM 480 CD2 PHE A 44 4.264 -0.038 1.464 1.00 0.15 C ATOM 481 CE1 PHE A 44 2.702 -2.075 2.434 1.00 0.16 C ATOM 482 CE2 PHE A 44 2.970 0.218 1.851 1.00 0.17 C ATOM 483 CZ PHE A 44 2.162 -0.809 2.235 1.00 0.15 C ATOM 0 H PHE A 44 7.144 -0.858 -1.448 1.00 0.14 H new ATOM 0 HA PHE A 44 6.638 -3.365 0.042 1.00 0.12 H new ATOM 0 HB2 PHE A 44 6.685 -2.172 1.957 1.00 0.14 H new ATOM 0 HB3 PHE A 44 6.749 -0.637 1.114 1.00 0.14 H new ATOM 0 HD1 PHE A 44 4.400 -3.325 2.134 1.00 0.14 H new ATOM 0 HD2 PHE A 44 4.874 0.765 1.078 1.00 0.15 H new ATOM 0 HE1 PHE A 44 2.108 -2.856 2.885 1.00 0.16 H new ATOM 0 HE2 PHE A 44 2.595 1.231 1.851 1.00 0.17 H new ATOM 0 HZ PHE A 44 1.106 -0.641 2.384 1.00 0.15 H new ATOM 493 N GLY A 45 4.216 -3.297 -0.720 1.00 0.13 N ATOM 494 CA GLY A 45 2.948 -3.378 -1.426 1.00 0.17 C ATOM 495 C GLY A 45 1.766 -3.468 -0.475 1.00 0.15 C ATOM 496 O GLY A 45 1.820 -4.194 0.519 1.00 0.15 O ATOM 0 H GLY A 45 4.362 -4.025 -0.021 1.00 0.13 H new ATOM 0 HA2 GLY A 45 2.833 -2.502 -2.064 1.00 0.17 H new ATOM 0 HA3 GLY A 45 2.953 -4.250 -2.080 1.00 0.17 H new ATOM 500 N VAL A 46 0.688 -2.756 -0.794 1.00 0.15 N ATOM 501 CA VAL A 46 -0.473 -2.666 0.096 1.00 0.15 C ATOM 502 C VAL A 46 -1.624 -3.481 -0.462 1.00 0.14 C ATOM 503 O VAL A 46 -1.673 -3.748 -1.661 1.00 0.19 O ATOM 504 CB VAL A 46 -1.003 -1.224 0.230 1.00 0.23 C ATOM 505 CG1 VAL A 46 -1.578 -0.989 1.615 1.00 0.80 C ATOM 506 CG2 VAL A 46 0.052 -0.192 -0.114 1.00 0.76 C ATOM 0 H VAL A 46 0.592 -2.231 -1.663 1.00 0.15 H new ATOM 0 HA VAL A 46 -0.134 -3.033 1.065 1.00 0.15 H new ATOM 0 HB VAL A 46 -1.806 -1.103 -0.497 1.00 0.23 H new ATOM 0 HG11 VAL A 46 -1.946 0.034 1.687 1.00 0.80 H new ATOM 0 HG12 VAL A 46 -2.400 -1.683 1.790 1.00 0.80 H new ATOM 0 HG13 VAL A 46 -0.802 -1.149 2.363 1.00 0.80 H new ATOM 0 HG21 VAL A 46 -0.368 0.808 -0.005 1.00 0.76 H new ATOM 0 HG22 VAL A 46 0.903 -0.303 0.558 1.00 0.76 H new ATOM 0 HG23 VAL A 46 0.381 -0.337 -1.143 1.00 0.76 H new ATOM 516 N ARG A 47 -2.558 -3.861 0.395 1.00 0.15 N ATOM 517 CA ARG A 47 -3.772 -4.520 -0.041 1.00 0.18 C ATOM 518 C ARG A 47 -4.907 -4.138 0.905 1.00 0.15 C ATOM 519 O ARG A 47 -4.674 -3.902 2.095 1.00 0.19 O ATOM 520 CB ARG A 47 -3.573 -6.043 -0.087 1.00 0.33 C ATOM 521 CG ARG A 47 -3.027 -6.634 1.201 1.00 0.66 C ATOM 522 CD ARG A 47 -2.700 -8.107 1.050 1.00 1.02 C ATOM 523 NE ARG A 47 -2.224 -8.694 2.302 1.00 1.43 N ATOM 524 CZ ARG A 47 -2.443 -9.959 2.660 1.00 1.85 C ATOM 525 NH1 ARG A 47 -3.081 -10.783 1.836 1.00 1.99 N ATOM 526 NH2 ARG A 47 -2.016 -10.402 3.837 1.00 2.62 N ATOM 0 H ARG A 47 -2.495 -3.722 1.403 1.00 0.15 H new ATOM 0 HA ARG A 47 -4.026 -4.196 -1.050 1.00 0.18 H new ATOM 0 HB2 ARG A 47 -4.527 -6.517 -0.316 1.00 0.33 H new ATOM 0 HB3 ARG A 47 -2.892 -6.286 -0.903 1.00 0.33 H new ATOM 0 HG2 ARG A 47 -2.130 -6.091 1.498 1.00 0.66 H new ATOM 0 HG3 ARG A 47 -3.758 -6.504 1.999 1.00 0.66 H new ATOM 0 HD2 ARG A 47 -3.587 -8.643 0.713 1.00 1.02 H new ATOM 0 HD3 ARG A 47 -1.940 -8.232 0.279 1.00 1.02 H new ATOM 0 HE ARG A 47 -1.693 -8.100 2.939 1.00 1.43 H new ATOM 0 HH11 ARG A 47 -3.404 -10.448 0.928 1.00 1.99 H new ATOM 0 HH12 ARG A 47 -3.248 -11.751 2.111 1.00 1.99 H new ATOM 0 HH21 ARG A 47 -1.519 -9.774 4.469 1.00 2.62 H new ATOM 0 HH22 ARG A 47 -2.185 -11.370 4.109 1.00 2.62 H new ATOM 540 N VAL A 48 -6.117 -4.044 0.377 1.00 0.13 N ATOM 541 CA VAL A 48 -7.277 -3.653 1.179 1.00 0.13 C ATOM 542 C VAL A 48 -8.381 -4.705 1.089 1.00 0.12 C ATOM 543 O VAL A 48 -8.440 -5.468 0.128 1.00 0.13 O ATOM 544 CB VAL A 48 -7.836 -2.290 0.719 1.00 0.15 C ATOM 545 CG1 VAL A 48 -8.940 -1.806 1.642 1.00 0.24 C ATOM 546 CG2 VAL A 48 -6.730 -1.257 0.635 1.00 0.22 C ATOM 0 H VAL A 48 -6.327 -4.232 -0.603 1.00 0.13 H new ATOM 0 HA VAL A 48 -6.943 -3.570 2.213 1.00 0.13 H new ATOM 0 HB VAL A 48 -8.262 -2.427 -0.275 1.00 0.15 H new ATOM 0 HG11 VAL A 48 -9.312 -0.844 1.291 1.00 0.24 H new ATOM 0 HG12 VAL A 48 -9.754 -2.531 1.646 1.00 0.24 H new ATOM 0 HG13 VAL A 48 -8.547 -1.696 2.653 1.00 0.24 H new ATOM 0 HG21 VAL A 48 -7.146 -0.304 0.309 1.00 0.22 H new ATOM 0 HG22 VAL A 48 -6.270 -1.136 1.616 1.00 0.22 H new ATOM 0 HG23 VAL A 48 -5.977 -1.588 -0.080 1.00 0.22 H new ATOM 556 N ASN A 49 -9.256 -4.739 2.090 1.00 0.13 N ATOM 557 CA ASN A 49 -10.351 -5.697 2.114 1.00 0.15 C ATOM 558 C ASN A 49 -11.608 -5.067 1.530 1.00 0.16 C ATOM 559 O ASN A 49 -12.463 -4.557 2.251 1.00 0.18 O ATOM 560 CB ASN A 49 -10.621 -6.173 3.538 1.00 0.20 C ATOM 561 CG ASN A 49 -11.608 -7.326 3.593 1.00 0.66 C ATOM 562 OD1 ASN A 49 -11.216 -8.490 3.559 1.00 1.59 O ATOM 563 ND2 ASN A 49 -12.892 -7.015 3.680 1.00 1.21 N ATOM 0 H ASN A 49 -9.226 -4.113 2.895 1.00 0.13 H new ATOM 0 HA ASN A 49 -10.068 -6.559 1.509 1.00 0.15 H new ATOM 0 HB2 ASN A 49 -9.682 -6.482 3.998 1.00 0.20 H new ATOM 0 HB3 ASN A 49 -11.007 -5.341 4.128 1.00 0.20 H new ATOM 0 HD21 ASN A 49 -13.594 -7.754 3.721 1.00 1.21 H new ATOM 0 HD22 ASN A 49 -13.179 -6.037 3.706 1.00 1.21 H new ATOM 570 N THR A 50 -11.692 -5.111 0.221 1.00 0.17 N ATOM 571 CA THR A 50 -12.853 -4.571 -0.471 1.00 0.21 C ATOM 572 C THR A 50 -14.002 -5.545 -0.374 1.00 0.25 C ATOM 573 O THR A 50 -14.006 -6.576 -1.020 1.00 0.33 O ATOM 574 CB THR A 50 -12.570 -4.215 -1.944 1.00 0.27 C ATOM 575 OG1 THR A 50 -11.979 -5.324 -2.640 1.00 0.31 O ATOM 576 CG2 THR A 50 -11.653 -3.010 -2.036 1.00 0.29 C ATOM 0 H THR A 50 -10.979 -5.511 -0.388 1.00 0.17 H new ATOM 0 HA THR A 50 -13.115 -3.636 0.024 1.00 0.21 H new ATOM 0 HB THR A 50 -13.524 -3.976 -2.414 1.00 0.27 H new ATOM 0 HG1 THR A 50 -11.741 -6.024 -1.997 1.00 0.31 H new ATOM 0 HG21 THR A 50 -11.465 -2.775 -3.084 1.00 0.29 H new ATOM 0 HG22 THR A 50 -12.125 -2.156 -1.551 1.00 0.29 H new ATOM 0 HG23 THR A 50 -10.709 -3.233 -1.539 1.00 0.29 H new ATOM 584 N SER A 51 -14.963 -5.197 0.468 1.00 0.25 N ATOM 585 CA SER A 51 -16.111 -6.041 0.778 1.00 0.30 C ATOM 586 C SER A 51 -16.730 -6.693 -0.465 1.00 0.33 C ATOM 587 O SER A 51 -17.244 -7.811 -0.396 1.00 0.42 O ATOM 588 CB SER A 51 -17.149 -5.186 1.492 1.00 0.35 C ATOM 589 OG SER A 51 -16.663 -4.730 2.744 1.00 1.32 O ATOM 0 H SER A 51 -14.969 -4.306 0.964 1.00 0.25 H new ATOM 0 HA SER A 51 -15.770 -6.860 1.412 1.00 0.30 H new ATOM 0 HB2 SER A 51 -17.412 -4.332 0.868 1.00 0.35 H new ATOM 0 HB3 SER A 51 -18.061 -5.765 1.641 1.00 0.35 H new ATOM 0 HG SER A 51 -16.034 -3.992 2.602 1.00 1.32 H new ATOM 595 N ASP A 52 -16.682 -5.989 -1.589 1.00 0.33 N ATOM 596 CA ASP A 52 -17.222 -6.493 -2.847 1.00 0.41 C ATOM 597 C ASP A 52 -16.500 -7.756 -3.340 1.00 0.31 C ATOM 598 O ASP A 52 -17.147 -8.686 -3.824 1.00 0.37 O ATOM 599 CB ASP A 52 -17.172 -5.405 -3.924 1.00 0.64 C ATOM 600 CG ASP A 52 -15.791 -4.805 -4.100 1.00 0.82 C ATOM 601 OD1 ASP A 52 -15.447 -3.873 -3.341 1.00 0.85 O ATOM 602 OD2 ASP A 52 -15.051 -5.253 -4.995 1.00 1.30 O ATOM 0 H ASP A 52 -16.270 -5.058 -1.655 1.00 0.33 H new ATOM 0 HA ASP A 52 -18.258 -6.770 -2.655 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -17.502 -5.827 -4.873 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -17.875 -4.613 -3.665 1.00 0.64 H new ATOM 607 N ARG A 53 -15.177 -7.807 -3.203 1.00 0.28 N ATOM 608 CA ARG A 53 -14.397 -8.925 -3.746 1.00 0.28 C ATOM 609 C ARG A 53 -13.465 -9.527 -2.693 1.00 0.24 C ATOM 610 O ARG A 53 -13.270 -10.741 -2.639 1.00 0.29 O ATOM 611 CB ARG A 53 -13.569 -8.468 -4.952 1.00 0.42 C ATOM 612 CG ARG A 53 -14.396 -8.074 -6.164 1.00 1.14 C ATOM 613 CD ARG A 53 -13.504 -7.607 -7.303 1.00 1.45 C ATOM 614 NE ARG A 53 -14.272 -7.134 -8.452 1.00 2.15 N ATOM 615 CZ ARG A 53 -13.766 -6.379 -9.427 1.00 2.81 C ATOM 616 NH1 ARG A 53 -12.490 -6.014 -9.398 1.00 3.05 N ATOM 617 NH2 ARG A 53 -14.540 -5.991 -10.431 1.00 3.68 N ATOM 0 H ARG A 53 -14.623 -7.096 -2.726 1.00 0.28 H new ATOM 0 HA ARG A 53 -15.107 -9.691 -4.058 1.00 0.28 H new ATOM 0 HB2 ARG A 53 -12.954 -7.619 -4.655 1.00 0.42 H new ATOM 0 HB3 ARG A 53 -12.889 -9.271 -5.236 1.00 0.42 H new ATOM 0 HG2 ARG A 53 -14.995 -8.923 -6.491 1.00 1.14 H new ATOM 0 HG3 ARG A 53 -15.091 -7.279 -5.892 1.00 1.14 H new ATOM 0 HD2 ARG A 53 -12.855 -6.806 -6.948 1.00 1.45 H new ATOM 0 HD3 ARG A 53 -12.857 -8.427 -7.614 1.00 1.45 H new ATOM 0 HE ARG A 53 -15.256 -7.398 -8.512 1.00 2.15 H new ATOM 0 HH11 ARG A 53 -11.892 -6.311 -8.627 1.00 3.05 H new ATOM 0 HH12 ARG A 53 -12.108 -5.436 -10.147 1.00 3.05 H new ATOM 0 HH21 ARG A 53 -15.521 -6.270 -10.456 1.00 3.68 H new ATOM 0 HH22 ARG A 53 -14.155 -5.413 -11.178 1.00 3.68 H new ATOM 631 N GLY A 54 -12.902 -8.669 -1.862 1.00 0.18 N ATOM 632 CA GLY A 54 -11.971 -9.098 -0.845 1.00 0.19 C ATOM 633 C GLY A 54 -10.641 -8.390 -0.948 1.00 0.17 C ATOM 634 O GLY A 54 -10.584 -7.218 -1.329 1.00 0.17 O ATOM 0 H GLY A 54 -13.078 -7.664 -1.875 1.00 0.18 H new ATOM 0 HA2 GLY A 54 -12.402 -8.915 0.139 1.00 0.19 H new ATOM 0 HA3 GLY A 54 -11.815 -10.173 -0.929 1.00 0.19 H new ATOM 638 N TRP A 55 -9.589 -9.095 -0.569 1.00 0.18 N ATOM 639 CA TRP A 55 -8.231 -8.579 -0.694 1.00 0.18 C ATOM 640 C TRP A 55 -7.959 -8.064 -2.109 1.00 0.19 C ATOM 641 O TRP A 55 -8.046 -8.811 -3.089 1.00 0.24 O ATOM 642 CB TRP A 55 -7.205 -9.654 -0.329 1.00 0.24 C ATOM 643 CG TRP A 55 -6.851 -9.704 1.130 1.00 0.26 C ATOM 644 CD1 TRP A 55 -6.804 -10.810 1.928 1.00 0.35 C ATOM 645 CD2 TRP A 55 -6.483 -8.599 1.962 1.00 0.24 C ATOM 646 NE1 TRP A 55 -6.419 -10.459 3.199 1.00 0.39 N ATOM 647 CE2 TRP A 55 -6.218 -9.107 3.244 1.00 0.32 C ATOM 648 CE3 TRP A 55 -6.349 -7.231 1.747 1.00 0.18 C ATOM 649 CZ2 TRP A 55 -5.825 -8.289 4.300 1.00 0.34 C ATOM 650 CZ3 TRP A 55 -5.962 -6.426 2.798 1.00 0.19 C ATOM 651 CH2 TRP A 55 -5.700 -6.954 4.057 1.00 0.27 C ATOM 0 H TRP A 55 -9.647 -10.032 -0.170 1.00 0.18 H new ATOM 0 HA TRP A 55 -8.135 -7.745 0.001 1.00 0.18 H new ATOM 0 HB2 TRP A 55 -7.594 -10.627 -0.630 1.00 0.24 H new ATOM 0 HB3 TRP A 55 -6.296 -9.482 -0.905 1.00 0.24 H new ATOM 0 HD1 TRP A 55 -7.036 -11.815 1.607 1.00 0.35 H new ATOM 0 HE1 TRP A 55 -6.302 -11.102 3.982 1.00 0.39 H new ATOM 0 HE3 TRP A 55 -6.545 -6.806 0.773 1.00 0.18 H new ATOM 0 HZ2 TRP A 55 -5.626 -8.699 5.279 1.00 0.34 H new ATOM 0 HZ3 TRP A 55 -5.860 -5.363 2.639 1.00 0.19 H new ATOM 0 HH2 TRP A 55 -5.392 -6.295 4.856 1.00 0.27 H new ATOM 662 N THR A 56 -7.649 -6.778 -2.200 1.00 0.18 N ATOM 663 CA THR A 56 -7.323 -6.145 -3.469 1.00 0.22 C ATOM 664 C THR A 56 -5.983 -6.643 -3.991 1.00 0.26 C ATOM 665 O THR A 56 -5.228 -7.298 -3.264 1.00 0.36 O ATOM 666 CB THR A 56 -7.252 -4.612 -3.327 1.00 0.22 C ATOM 667 OG1 THR A 56 -6.271 -4.256 -2.342 1.00 0.22 O ATOM 668 CG2 THR A 56 -8.598 -4.037 -2.933 1.00 0.24 C ATOM 0 H THR A 56 -7.617 -6.147 -1.399 1.00 0.18 H new ATOM 0 HA THR A 56 -8.116 -6.407 -4.170 1.00 0.22 H new ATOM 0 HB THR A 56 -6.968 -4.196 -4.294 1.00 0.22 H new ATOM 0 HG1 THR A 56 -6.230 -3.280 -2.259 1.00 0.22 H new ATOM 0 HG21 THR A 56 -8.518 -2.954 -2.840 1.00 0.24 H new ATOM 0 HG22 THR A 56 -9.336 -4.282 -3.697 1.00 0.24 H new ATOM 0 HG23 THR A 56 -8.909 -4.461 -1.978 1.00 0.24 H new ATOM 676 N ASP A 57 -5.693 -6.342 -5.247 1.00 0.30 N ATOM 677 CA ASP A 57 -4.390 -6.656 -5.801 1.00 0.34 C ATOM 678 C ASP A 57 -3.342 -5.822 -5.090 1.00 0.23 C ATOM 679 O ASP A 57 -3.521 -4.622 -4.865 1.00 0.35 O ATOM 680 CB ASP A 57 -4.333 -6.427 -7.318 1.00 0.49 C ATOM 681 CG ASP A 57 -4.168 -4.973 -7.721 1.00 0.93 C ATOM 682 OD1 ASP A 57 -5.182 -4.246 -7.785 1.00 0.98 O ATOM 683 OD2 ASP A 57 -3.021 -4.555 -8.000 1.00 1.84 O ATOM 0 H ASP A 57 -6.336 -5.886 -5.894 1.00 0.30 H new ATOM 0 HA ASP A 57 -4.193 -7.716 -5.642 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -3.505 -7.003 -7.730 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -5.247 -6.816 -7.768 1.00 0.49 H new ATOM 688 N GLU A 58 -2.282 -6.487 -4.693 1.00 0.27 N ATOM 689 CA GLU A 58 -1.245 -5.861 -3.904 1.00 0.27 C ATOM 690 C GLU A 58 -0.535 -4.785 -4.707 1.00 0.23 C ATOM 691 O GLU A 58 0.109 -5.057 -5.720 1.00 0.28 O ATOM 692 CB GLU A 58 -0.274 -6.914 -3.392 1.00 0.42 C ATOM 693 CG GLU A 58 0.772 -6.392 -2.425 1.00 0.44 C ATOM 694 CD GLU A 58 1.592 -7.512 -1.820 1.00 0.67 C ATOM 695 OE1 GLU A 58 2.547 -7.977 -2.478 1.00 0.83 O ATOM 696 OE2 GLU A 58 1.302 -7.914 -0.672 1.00 1.00 O ATOM 0 H GLU A 58 -2.114 -7.470 -4.906 1.00 0.27 H new ATOM 0 HA GLU A 58 -1.699 -5.374 -3.041 1.00 0.27 H new ATOM 0 HB2 GLU A 58 -0.842 -7.704 -2.901 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.232 -7.367 -4.244 1.00 0.42 H new ATOM 0 HG2 GLU A 58 1.433 -5.698 -2.945 1.00 0.44 H new ATOM 0 HG3 GLU A 58 0.282 -5.830 -1.630 1.00 0.44 H new ATOM 703 N CYS A 59 -0.681 -3.565 -4.238 1.00 0.19 N ATOM 704 CA CYS A 59 -0.169 -2.394 -4.936 1.00 0.20 C ATOM 705 C CYS A 59 1.192 -1.994 -4.386 1.00 0.17 C ATOM 706 O CYS A 59 1.293 -1.447 -3.288 1.00 0.17 O ATOM 707 CB CYS A 59 -1.158 -1.234 -4.806 1.00 0.27 C ATOM 708 SG CYS A 59 -2.820 -1.615 -5.414 1.00 0.36 S ATOM 0 H CYS A 59 -1.158 -3.351 -3.362 1.00 0.19 H new ATOM 0 HA CYS A 59 -0.051 -2.641 -5.991 1.00 0.20 H new ATOM 0 HB2 CYS A 59 -1.223 -0.941 -3.758 1.00 0.27 H new ATOM 0 HB3 CYS A 59 -0.770 -0.375 -5.353 1.00 0.27 H new ATOM 0 HG CYS A 59 -3.100 -2.859 -5.161 1.00 0.36 H new ATOM 714 N ILE A 60 2.236 -2.285 -5.150 1.00 0.18 N ATOM 715 CA ILE A 60 3.597 -2.016 -4.729 1.00 0.16 C ATOM 716 C ILE A 60 4.027 -0.609 -5.115 1.00 0.16 C ATOM 717 O ILE A 60 3.835 -0.169 -6.252 1.00 0.18 O ATOM 718 CB ILE A 60 4.585 -3.057 -5.314 1.00 0.21 C ATOM 719 CG1 ILE A 60 4.491 -4.380 -4.554 1.00 0.44 C ATOM 720 CG2 ILE A 60 6.005 -2.539 -5.257 1.00 0.27 C ATOM 721 CD1 ILE A 60 3.157 -5.063 -4.677 1.00 0.74 C ATOM 0 H ILE A 60 2.161 -2.712 -6.073 1.00 0.18 H new ATOM 0 HA ILE A 60 3.619 -2.096 -3.642 1.00 0.16 H new ATOM 0 HB ILE A 60 4.311 -3.227 -6.355 1.00 0.21 H new ATOM 0 HG12 ILE A 60 5.267 -5.053 -4.919 1.00 0.44 H new ATOM 0 HG13 ILE A 60 4.698 -4.197 -3.500 1.00 0.44 H new ATOM 0 HG21 ILE A 60 6.682 -3.286 -5.673 1.00 0.27 H new ATOM 0 HG22 ILE A 60 6.080 -1.619 -5.836 1.00 0.27 H new ATOM 0 HG23 ILE A 60 6.278 -2.339 -4.221 1.00 0.27 H new ATOM 0 HD11 ILE A 60 3.171 -5.994 -4.110 1.00 0.74 H new ATOM 0 HD12 ILE A 60 2.377 -4.411 -4.284 1.00 0.74 H new ATOM 0 HD13 ILE A 60 2.955 -5.280 -5.726 1.00 0.74 H new ATOM 733 N GLY A 61 4.605 0.082 -4.147 1.00 0.16 N ATOM 734 CA GLY A 61 5.109 1.425 -4.367 1.00 0.20 C ATOM 735 C GLY A 61 6.507 1.413 -4.946 1.00 0.21 C ATOM 736 O GLY A 61 7.065 0.347 -5.205 1.00 0.23 O ATOM 0 H GLY A 61 4.737 -0.268 -3.198 1.00 0.16 H new ATOM 0 HA2 GLY A 61 4.440 1.958 -5.043 1.00 0.20 H new ATOM 0 HA3 GLY A 61 5.111 1.972 -3.424 1.00 0.20 H new ATOM 740 N GLU A 62 7.090 2.587 -5.122 1.00 0.27 N ATOM 741 CA GLU A 62 8.394 2.696 -5.758 1.00 0.31 C ATOM 742 C GLU A 62 9.507 2.665 -4.714 1.00 0.25 C ATOM 743 O GLU A 62 9.265 2.916 -3.534 1.00 0.29 O ATOM 744 CB GLU A 62 8.474 3.976 -6.584 1.00 0.47 C ATOM 745 CG GLU A 62 8.468 5.220 -5.740 1.00 0.79 C ATOM 746 CD GLU A 62 8.560 6.483 -6.565 1.00 1.07 C ATOM 747 OE1 GLU A 62 7.520 6.944 -7.075 1.00 1.32 O ATOM 748 OE2 GLU A 62 9.675 7.026 -6.699 1.00 1.37 O ATOM 0 H GLU A 62 6.683 3.477 -4.834 1.00 0.27 H new ATOM 0 HA GLU A 62 8.526 1.843 -6.423 1.00 0.31 H new ATOM 0 HB2 GLU A 62 9.382 3.957 -7.187 1.00 0.47 H new ATOM 0 HB3 GLU A 62 7.632 4.009 -7.276 1.00 0.47 H new ATOM 0 HG2 GLU A 62 7.556 5.246 -5.144 1.00 0.79 H new ATOM 0 HG3 GLU A 62 9.304 5.185 -5.042 1.00 0.79 H new ATOM 755 N PRO A 63 10.727 2.304 -5.143 1.00 0.24 N ATOM 756 CA PRO A 63 11.923 2.329 -4.292 1.00 0.24 C ATOM 757 C PRO A 63 12.104 3.663 -3.569 1.00 0.21 C ATOM 758 O PRO A 63 12.503 4.660 -4.175 1.00 0.24 O ATOM 759 CB PRO A 63 13.063 2.120 -5.291 1.00 0.32 C ATOM 760 CG PRO A 63 12.453 1.352 -6.408 1.00 0.51 C ATOM 761 CD PRO A 63 11.028 1.810 -6.500 1.00 0.30 C ATOM 0 HA PRO A 63 11.872 1.580 -3.502 1.00 0.24 H new ATOM 0 HB2 PRO A 63 13.464 3.072 -5.638 1.00 0.32 H new ATOM 0 HB3 PRO A 63 13.890 1.572 -4.839 1.00 0.32 H new ATOM 0 HG2 PRO A 63 12.983 1.537 -7.343 1.00 0.51 H new ATOM 0 HG3 PRO A 63 12.506 0.280 -6.218 1.00 0.51 H new ATOM 0 HD2 PRO A 63 10.908 2.595 -7.247 1.00 0.30 H new ATOM 0 HD3 PRO A 63 10.364 0.994 -6.785 1.00 0.30 H new ATOM 769 N MET A 64 11.816 3.679 -2.276 1.00 0.19 N ATOM 770 CA MET A 64 11.938 4.892 -1.480 1.00 0.20 C ATOM 771 C MET A 64 13.125 4.780 -0.531 1.00 0.21 C ATOM 772 O MET A 64 13.418 3.698 -0.036 1.00 0.26 O ATOM 773 CB MET A 64 10.654 5.130 -0.692 1.00 0.24 C ATOM 774 CG MET A 64 9.443 5.347 -1.580 1.00 0.32 C ATOM 775 SD MET A 64 9.604 6.799 -2.637 1.00 0.62 S ATOM 776 CE MET A 64 9.469 8.111 -1.429 1.00 0.67 C ATOM 0 H MET A 64 11.495 2.863 -1.754 1.00 0.19 H new ATOM 0 HA MET A 64 12.103 5.738 -2.148 1.00 0.20 H new ATOM 0 HB2 MET A 64 10.471 4.276 -0.040 1.00 0.24 H new ATOM 0 HB3 MET A 64 10.786 6.000 -0.048 1.00 0.24 H new ATOM 0 HG2 MET A 64 9.292 4.465 -2.202 1.00 0.32 H new ATOM 0 HG3 MET A 64 8.555 5.453 -0.957 1.00 0.32 H new ATOM 0 HE1 MET A 64 9.478 9.075 -1.937 1.00 0.67 H new ATOM 0 HE2 MET A 64 8.536 8.001 -0.875 1.00 0.67 H new ATOM 0 HE3 MET A 64 10.310 8.057 -0.738 1.00 0.67 H new ATOM 786 N PRO A 65 13.826 5.895 -0.266 1.00 0.23 N ATOM 787 CA PRO A 65 15.020 5.897 0.588 1.00 0.26 C ATOM 788 C PRO A 65 14.706 5.889 2.088 1.00 0.25 C ATOM 789 O PRO A 65 15.585 6.139 2.915 1.00 0.27 O ATOM 790 CB PRO A 65 15.712 7.202 0.198 1.00 0.31 C ATOM 791 CG PRO A 65 14.603 8.112 -0.203 1.00 0.32 C ATOM 792 CD PRO A 65 13.532 7.239 -0.803 1.00 0.29 C ATOM 0 HA PRO A 65 15.619 4.999 0.438 1.00 0.26 H new ATOM 0 HB2 PRO A 65 16.280 7.614 1.032 1.00 0.31 H new ATOM 0 HB3 PRO A 65 16.414 7.048 -0.621 1.00 0.31 H new ATOM 0 HG2 PRO A 65 14.220 8.660 0.658 1.00 0.32 H new ATOM 0 HG3 PRO A 65 14.950 8.852 -0.924 1.00 0.32 H new ATOM 0 HD2 PRO A 65 12.536 7.575 -0.516 1.00 0.29 H new ATOM 0 HD3 PRO A 65 13.571 7.251 -1.892 1.00 0.29 H new ATOM 800 N SER A 66 13.458 5.613 2.438 1.00 0.23 N ATOM 801 CA SER A 66 13.045 5.523 3.822 1.00 0.24 C ATOM 802 C SER A 66 11.838 4.612 3.905 1.00 0.22 C ATOM 803 O SER A 66 10.975 4.635 3.026 1.00 0.20 O ATOM 804 CB SER A 66 12.704 6.914 4.364 1.00 0.29 C ATOM 805 OG SER A 66 12.038 6.839 5.614 1.00 1.30 O ATOM 0 H SER A 66 12.707 5.446 1.768 1.00 0.23 H new ATOM 0 HA SER A 66 13.855 5.116 4.426 1.00 0.24 H new ATOM 0 HB2 SER A 66 13.619 7.497 4.473 1.00 0.29 H new ATOM 0 HB3 SER A 66 12.074 7.440 3.647 1.00 0.29 H new ATOM 0 HG SER A 66 11.837 7.744 5.932 1.00 1.30 H new ATOM 811 N VAL A 67 11.781 3.815 4.958 1.00 0.25 N ATOM 812 CA VAL A 67 10.738 2.815 5.092 1.00 0.26 C ATOM 813 C VAL A 67 9.398 3.477 5.390 1.00 0.25 C ATOM 814 O VAL A 67 8.337 2.902 5.143 1.00 0.29 O ATOM 815 CB VAL A 67 11.087 1.769 6.173 1.00 0.37 C ATOM 816 CG1 VAL A 67 10.932 2.334 7.577 1.00 1.14 C ATOM 817 CG2 VAL A 67 10.249 0.520 5.983 1.00 1.08 C ATOM 0 H VAL A 67 12.445 3.841 5.732 1.00 0.25 H new ATOM 0 HA VAL A 67 10.660 2.287 4.142 1.00 0.26 H new ATOM 0 HB VAL A 67 12.137 1.501 6.057 1.00 0.37 H new ATOM 0 HG11 VAL A 67 11.187 1.567 8.308 1.00 1.14 H new ATOM 0 HG12 VAL A 67 11.597 3.189 7.701 1.00 1.14 H new ATOM 0 HG13 VAL A 67 9.901 2.652 7.729 1.00 1.14 H new ATOM 0 HG21 VAL A 67 10.504 -0.210 6.751 1.00 1.08 H new ATOM 0 HG22 VAL A 67 9.192 0.775 6.062 1.00 1.08 H new ATOM 0 HG23 VAL A 67 10.447 0.095 4.999 1.00 1.08 H new ATOM 827 N LYS A 68 9.454 4.693 5.913 1.00 0.29 N ATOM 828 CA LYS A 68 8.250 5.470 6.152 1.00 0.32 C ATOM 829 C LYS A 68 7.692 5.969 4.826 1.00 0.30 C ATOM 830 O LYS A 68 6.481 5.957 4.605 1.00 0.33 O ATOM 831 CB LYS A 68 8.544 6.652 7.079 1.00 0.41 C ATOM 832 CG LYS A 68 9.112 6.248 8.430 1.00 1.12 C ATOM 833 CD LYS A 68 8.160 5.343 9.197 1.00 1.56 C ATOM 834 CE LYS A 68 8.716 4.975 10.565 1.00 2.37 C ATOM 835 NZ LYS A 68 8.894 6.168 11.435 1.00 2.82 N ATOM 0 H LYS A 68 10.320 5.161 6.179 1.00 0.29 H new ATOM 0 HA LYS A 68 7.511 4.832 6.637 1.00 0.32 H new ATOM 0 HB2 LYS A 68 9.248 7.322 6.585 1.00 0.41 H new ATOM 0 HB3 LYS A 68 7.624 7.216 7.236 1.00 0.41 H new ATOM 0 HG2 LYS A 68 10.063 5.735 8.286 1.00 1.12 H new ATOM 0 HG3 LYS A 68 9.318 7.142 9.019 1.00 1.12 H new ATOM 0 HD2 LYS A 68 7.199 5.843 9.317 1.00 1.56 H new ATOM 0 HD3 LYS A 68 7.977 4.435 8.622 1.00 1.56 H new ATOM 0 HE2 LYS A 68 8.043 4.269 11.052 1.00 2.37 H new ATOM 0 HE3 LYS A 68 9.674 4.470 10.443 1.00 2.37 H new ATOM 0 HZ1 LYS A 68 9.044 5.862 12.418 1.00 2.82 H new ATOM 0 HZ2 LYS A 68 9.719 6.713 11.113 1.00 2.82 H new ATOM 0 HZ3 LYS A 68 8.044 6.765 11.384 1.00 2.82 H new ATOM 849 N LYS A 69 8.591 6.374 3.930 1.00 0.29 N ATOM 850 CA LYS A 69 8.201 6.878 2.619 1.00 0.32 C ATOM 851 C LYS A 69 7.781 5.724 1.724 1.00 0.24 C ATOM 852 O LYS A 69 7.039 5.907 0.759 1.00 0.24 O ATOM 853 CB LYS A 69 9.358 7.637 1.968 1.00 0.47 C ATOM 854 CG LYS A 69 9.949 8.715 2.854 1.00 0.57 C ATOM 855 CD LYS A 69 11.083 9.468 2.171 1.00 0.45 C ATOM 856 CE LYS A 69 10.583 10.352 1.035 1.00 0.90 C ATOM 857 NZ LYS A 69 9.687 11.441 1.511 1.00 1.36 N ATOM 0 H LYS A 69 9.598 6.362 4.092 1.00 0.29 H new ATOM 0 HA LYS A 69 7.362 7.561 2.748 1.00 0.32 H new ATOM 0 HB2 LYS A 69 10.142 6.928 1.700 1.00 0.47 H new ATOM 0 HB3 LYS A 69 9.008 8.091 1.041 1.00 0.47 H new ATOM 0 HG2 LYS A 69 9.167 9.419 3.136 1.00 0.57 H new ATOM 0 HG3 LYS A 69 10.319 8.263 3.775 1.00 0.57 H new ATOM 0 HD2 LYS A 69 11.603 10.083 2.906 1.00 0.45 H new ATOM 0 HD3 LYS A 69 11.809 8.754 1.781 1.00 0.45 H new ATOM 0 HE2 LYS A 69 11.436 10.789 0.517 1.00 0.90 H new ATOM 0 HE3 LYS A 69 10.049 9.738 0.309 1.00 0.90 H new ATOM 0 HZ1 LYS A 69 9.566 12.146 0.756 1.00 1.36 H new ATOM 0 HZ2 LYS A 69 8.761 11.042 1.765 1.00 1.36 H new ATOM 0 HZ3 LYS A 69 10.108 11.897 2.346 1.00 1.36 H new ATOM 871 N ALA A 70 8.275 4.532 2.053 1.00 0.21 N ATOM 872 CA ALA A 70 7.905 3.322 1.336 1.00 0.19 C ATOM 873 C ALA A 70 6.401 3.125 1.395 1.00 0.16 C ATOM 874 O ALA A 70 5.744 2.958 0.364 1.00 0.17 O ATOM 875 CB ALA A 70 8.616 2.113 1.922 1.00 0.21 C ATOM 0 H ALA A 70 8.935 4.382 2.816 1.00 0.21 H new ATOM 0 HA ALA A 70 8.210 3.428 0.295 1.00 0.19 H new ATOM 0 HB1 ALA A 70 8.326 1.218 1.372 1.00 0.21 H new ATOM 0 HB2 ALA A 70 9.694 2.252 1.845 1.00 0.21 H new ATOM 0 HB3 ALA A 70 8.339 2.000 2.970 1.00 0.21 H new ATOM 881 N LYS A 71 5.864 3.139 2.619 1.00 0.15 N ATOM 882 CA LYS A 71 4.429 3.047 2.853 1.00 0.17 C ATOM 883 C LYS A 71 3.673 4.091 2.039 1.00 0.16 C ATOM 884 O LYS A 71 2.765 3.755 1.281 1.00 0.17 O ATOM 885 CB LYS A 71 4.130 3.249 4.342 1.00 0.29 C ATOM 886 CG LYS A 71 4.877 2.291 5.257 1.00 0.92 C ATOM 887 CD LYS A 71 4.600 2.596 6.720 1.00 1.29 C ATOM 888 CE LYS A 71 5.402 1.694 7.647 1.00 1.99 C ATOM 889 NZ LYS A 71 5.055 0.258 7.473 1.00 2.42 N ATOM 0 H LYS A 71 6.417 3.215 3.473 1.00 0.15 H new ATOM 0 HA LYS A 71 4.098 2.056 2.541 1.00 0.17 H new ATOM 0 HB2 LYS A 71 4.385 4.272 4.618 1.00 0.29 H new ATOM 0 HB3 LYS A 71 3.059 3.132 4.506 1.00 0.29 H new ATOM 0 HG2 LYS A 71 4.580 1.266 5.034 1.00 0.92 H new ATOM 0 HG3 LYS A 71 5.948 2.362 5.065 1.00 0.92 H new ATOM 0 HD2 LYS A 71 4.844 3.638 6.926 1.00 1.29 H new ATOM 0 HD3 LYS A 71 3.536 2.471 6.922 1.00 1.29 H new ATOM 0 HE2 LYS A 71 6.466 1.834 7.457 1.00 1.99 H new ATOM 0 HE3 LYS A 71 5.222 1.987 8.681 1.00 1.99 H new ATOM 0 HZ1 LYS A 71 5.508 -0.302 8.223 1.00 2.42 H new ATOM 0 HZ2 LYS A 71 4.023 0.141 7.529 1.00 2.42 H new ATOM 0 HZ3 LYS A 71 5.391 -0.070 6.545 1.00 2.42 H new ATOM 903 N ASP A 72 4.064 5.354 2.204 1.00 0.19 N ATOM 904 CA ASP A 72 3.394 6.470 1.534 1.00 0.24 C ATOM 905 C ASP A 72 3.340 6.293 0.022 1.00 0.22 C ATOM 906 O ASP A 72 2.296 6.523 -0.584 1.00 0.23 O ATOM 907 CB ASP A 72 4.061 7.807 1.874 1.00 0.32 C ATOM 908 CG ASP A 72 3.708 8.300 3.264 1.00 1.06 C ATOM 909 OD1 ASP A 72 2.502 8.383 3.587 1.00 0.99 O ATOM 910 OD2 ASP A 72 4.633 8.612 4.044 1.00 2.01 O ATOM 0 H ASP A 72 4.845 5.632 2.799 1.00 0.19 H new ATOM 0 HA ASP A 72 2.370 6.477 1.908 1.00 0.24 H new ATOM 0 HB2 ASP A 72 5.143 7.699 1.795 1.00 0.32 H new ATOM 0 HB3 ASP A 72 3.761 8.555 1.140 1.00 0.32 H new ATOM 915 N SER A 73 4.446 5.885 -0.591 1.00 0.21 N ATOM 916 CA SER A 73 4.482 5.698 -2.037 1.00 0.24 C ATOM 917 C SER A 73 3.448 4.669 -2.484 1.00 0.20 C ATOM 918 O SER A 73 2.707 4.893 -3.445 1.00 0.24 O ATOM 919 CB SER A 73 5.882 5.260 -2.476 1.00 0.30 C ATOM 920 OG SER A 73 5.935 5.036 -3.875 1.00 1.14 O ATOM 0 H SER A 73 5.323 5.679 -0.113 1.00 0.21 H new ATOM 0 HA SER A 73 4.239 6.650 -2.508 1.00 0.24 H new ATOM 0 HB2 SER A 73 6.608 6.025 -2.200 1.00 0.30 H new ATOM 0 HB3 SER A 73 6.163 4.348 -1.948 1.00 0.30 H new ATOM 0 HG SER A 73 5.861 5.892 -4.346 1.00 1.14 H new ATOM 926 N ALA A 74 3.395 3.549 -1.782 1.00 0.16 N ATOM 927 CA ALA A 74 2.453 2.496 -2.124 1.00 0.17 C ATOM 928 C ALA A 74 1.029 2.954 -1.841 1.00 0.16 C ATOM 929 O ALA A 74 0.103 2.663 -2.599 1.00 0.17 O ATOM 930 CB ALA A 74 2.773 1.237 -1.346 1.00 0.18 C ATOM 0 H ALA A 74 3.988 3.346 -0.978 1.00 0.16 H new ATOM 0 HA ALA A 74 2.540 2.276 -3.188 1.00 0.17 H new ATOM 0 HB1 ALA A 74 2.061 0.455 -1.610 1.00 0.18 H new ATOM 0 HB2 ALA A 74 3.783 0.906 -1.589 1.00 0.18 H new ATOM 0 HB3 ALA A 74 2.706 1.443 -0.278 1.00 0.18 H new ATOM 936 N ALA A 75 0.875 3.680 -0.737 1.00 0.18 N ATOM 937 CA ALA A 75 -0.402 4.254 -0.339 1.00 0.21 C ATOM 938 C ALA A 75 -0.980 5.147 -1.434 1.00 0.21 C ATOM 939 O ALA A 75 -2.186 5.156 -1.650 1.00 0.24 O ATOM 940 CB ALA A 75 -0.245 5.044 0.950 1.00 0.26 C ATOM 0 H ALA A 75 1.638 3.886 -0.092 1.00 0.18 H new ATOM 0 HA ALA A 75 -1.099 3.432 -0.174 1.00 0.21 H new ATOM 0 HB1 ALA A 75 -1.207 5.468 1.236 1.00 0.26 H new ATOM 0 HB2 ALA A 75 0.110 4.383 1.741 1.00 0.26 H new ATOM 0 HB3 ALA A 75 0.475 5.848 0.798 1.00 0.26 H new ATOM 946 N VAL A 76 -0.127 5.892 -2.139 1.00 0.21 N ATOM 947 CA VAL A 76 -0.581 6.764 -3.220 1.00 0.25 C ATOM 948 C VAL A 76 -1.209 5.945 -4.346 1.00 0.20 C ATOM 949 O VAL A 76 -2.224 6.337 -4.926 1.00 0.21 O ATOM 950 CB VAL A 76 0.574 7.618 -3.788 1.00 0.36 C ATOM 951 CG1 VAL A 76 0.099 8.460 -4.962 1.00 0.77 C ATOM 952 CG2 VAL A 76 1.167 8.507 -2.705 1.00 0.83 C ATOM 0 H VAL A 76 0.880 5.908 -1.980 1.00 0.21 H new ATOM 0 HA VAL A 76 -1.329 7.435 -2.798 1.00 0.25 H new ATOM 0 HB VAL A 76 1.350 6.941 -4.144 1.00 0.36 H new ATOM 0 HG11 VAL A 76 0.930 9.052 -5.345 1.00 0.77 H new ATOM 0 HG12 VAL A 76 -0.274 7.807 -5.751 1.00 0.77 H new ATOM 0 HG13 VAL A 76 -0.700 9.125 -4.633 1.00 0.77 H new ATOM 0 HG21 VAL A 76 1.979 9.100 -3.125 1.00 0.83 H new ATOM 0 HG22 VAL A 76 0.395 9.172 -2.317 1.00 0.83 H new ATOM 0 HG23 VAL A 76 1.552 7.887 -1.896 1.00 0.83 H new ATOM 962 N LEU A 77 -0.627 4.785 -4.620 1.00 0.19 N ATOM 963 CA LEU A 77 -1.128 3.910 -5.665 1.00 0.21 C ATOM 964 C LEU A 77 -2.355 3.167 -5.155 1.00 0.22 C ATOM 965 O LEU A 77 -3.192 2.690 -5.922 1.00 0.28 O ATOM 966 CB LEU A 77 -0.044 2.923 -6.093 1.00 0.26 C ATOM 967 CG LEU A 77 1.223 3.560 -6.670 1.00 0.32 C ATOM 968 CD1 LEU A 77 2.217 2.490 -7.084 1.00 0.39 C ATOM 969 CD2 LEU A 77 0.885 4.459 -7.850 1.00 0.39 C ATOM 0 H LEU A 77 0.194 4.430 -4.130 1.00 0.19 H new ATOM 0 HA LEU A 77 -1.407 4.506 -6.534 1.00 0.21 H new ATOM 0 HB2 LEU A 77 0.233 2.316 -5.231 1.00 0.26 H new ATOM 0 HB3 LEU A 77 -0.464 2.247 -6.838 1.00 0.26 H new ATOM 0 HG LEU A 77 1.680 4.173 -5.893 1.00 0.32 H new ATOM 0 HD11 LEU A 77 3.111 2.962 -7.492 1.00 0.39 H new ATOM 0 HD12 LEU A 77 2.488 1.889 -6.216 1.00 0.39 H new ATOM 0 HD13 LEU A 77 1.767 1.849 -7.842 1.00 0.39 H new ATOM 0 HD21 LEU A 77 1.800 4.901 -8.244 1.00 0.39 H new ATOM 0 HD22 LEU A 77 0.401 3.870 -8.629 1.00 0.39 H new ATOM 0 HD23 LEU A 77 0.211 5.251 -7.523 1.00 0.39 H new ATOM 981 N LEU A 78 -2.430 3.062 -3.843 1.00 0.22 N ATOM 982 CA LEU A 78 -3.588 2.515 -3.167 1.00 0.27 C ATOM 983 C LEU A 78 -4.771 3.475 -3.276 1.00 0.27 C ATOM 984 O LEU A 78 -5.875 3.079 -3.648 1.00 0.29 O ATOM 985 CB LEU A 78 -3.238 2.287 -1.705 1.00 0.36 C ATOM 986 CG LEU A 78 -4.188 1.392 -0.929 1.00 0.35 C ATOM 987 CD1 LEU A 78 -4.053 -0.051 -1.393 1.00 0.77 C ATOM 988 CD2 LEU A 78 -3.924 1.524 0.561 1.00 0.81 C ATOM 0 H LEU A 78 -1.684 3.356 -3.213 1.00 0.22 H new ATOM 0 HA LEU A 78 -3.869 1.571 -3.634 1.00 0.27 H new ATOM 0 HB2 LEU A 78 -2.239 1.855 -1.654 1.00 0.36 H new ATOM 0 HB3 LEU A 78 -3.193 3.255 -1.207 1.00 0.36 H new ATOM 0 HG LEU A 78 -5.214 1.706 -1.120 1.00 0.35 H new ATOM 0 HD11 LEU A 78 -4.740 -0.681 -0.828 1.00 0.77 H new ATOM 0 HD12 LEU A 78 -4.291 -0.116 -2.455 1.00 0.77 H new ATOM 0 HD13 LEU A 78 -3.031 -0.392 -1.229 1.00 0.77 H new ATOM 0 HD21 LEU A 78 -4.610 0.879 1.111 1.00 0.81 H new ATOM 0 HD22 LEU A 78 -2.897 1.229 0.776 1.00 0.81 H new ATOM 0 HD23 LEU A 78 -4.076 2.559 0.867 1.00 0.81 H new ATOM 1000 N LEU A 79 -4.514 4.740 -2.962 1.00 0.30 N ATOM 1001 CA LEU A 79 -5.539 5.785 -2.968 1.00 0.38 C ATOM 1002 C LEU A 79 -6.280 5.858 -4.296 1.00 0.34 C ATOM 1003 O LEU A 79 -7.473 6.151 -4.330 1.00 0.37 O ATOM 1004 CB LEU A 79 -4.903 7.144 -2.669 1.00 0.48 C ATOM 1005 CG LEU A 79 -5.016 7.630 -1.222 1.00 0.68 C ATOM 1006 CD1 LEU A 79 -4.429 6.614 -0.256 1.00 1.61 C ATOM 1007 CD2 LEU A 79 -4.324 8.974 -1.068 1.00 1.08 C ATOM 0 H LEU A 79 -3.588 5.073 -2.695 1.00 0.30 H new ATOM 0 HA LEU A 79 -6.263 5.529 -2.194 1.00 0.38 H new ATOM 0 HB2 LEU A 79 -3.847 7.096 -2.934 1.00 0.48 H new ATOM 0 HB3 LEU A 79 -5.361 7.889 -3.319 1.00 0.48 H new ATOM 0 HG LEU A 79 -6.073 7.747 -0.981 1.00 0.68 H new ATOM 0 HD11 LEU A 79 -4.523 6.986 0.764 1.00 1.61 H new ATOM 0 HD12 LEU A 79 -4.966 5.670 -0.349 1.00 1.61 H new ATOM 0 HD13 LEU A 79 -3.376 6.456 -0.489 1.00 1.61 H new ATOM 0 HD21 LEU A 79 -4.410 9.311 -0.035 1.00 1.08 H new ATOM 0 HD22 LEU A 79 -3.271 8.873 -1.330 1.00 1.08 H new ATOM 0 HD23 LEU A 79 -4.794 9.703 -1.728 1.00 1.08 H new ATOM 1019 N GLU A 80 -5.576 5.587 -5.380 1.00 0.30 N ATOM 1020 CA GLU A 80 -6.196 5.649 -6.694 1.00 0.33 C ATOM 1021 C GLU A 80 -7.022 4.399 -6.963 1.00 0.27 C ATOM 1022 O GLU A 80 -8.070 4.470 -7.591 1.00 0.30 O ATOM 1023 CB GLU A 80 -5.167 5.856 -7.797 1.00 0.43 C ATOM 1024 CG GLU A 80 -3.954 4.979 -7.663 1.00 0.80 C ATOM 1025 CD GLU A 80 -3.010 5.112 -8.835 1.00 1.46 C ATOM 1026 OE1 GLU A 80 -2.487 6.223 -9.059 1.00 1.86 O ATOM 1027 OE2 GLU A 80 -2.789 4.101 -9.537 1.00 2.13 O ATOM 0 H GLU A 80 -4.590 5.326 -5.380 1.00 0.30 H new ATOM 0 HA GLU A 80 -6.860 6.513 -6.697 1.00 0.33 H new ATOM 0 HB2 GLU A 80 -5.638 5.665 -8.761 1.00 0.43 H new ATOM 0 HB3 GLU A 80 -4.852 6.899 -7.797 1.00 0.43 H new ATOM 0 HG2 GLU A 80 -3.425 5.234 -6.744 1.00 0.80 H new ATOM 0 HG3 GLU A 80 -4.270 3.940 -7.571 1.00 0.80 H new ATOM 1034 N LEU A 81 -6.567 3.265 -6.449 1.00 0.23 N ATOM 1035 CA LEU A 81 -7.256 1.999 -6.650 1.00 0.24 C ATOM 1036 C LEU A 81 -8.626 2.035 -5.977 1.00 0.25 C ATOM 1037 O LEU A 81 -9.646 1.752 -6.605 1.00 0.32 O ATOM 1038 CB LEU A 81 -6.402 0.854 -6.105 1.00 0.31 C ATOM 1039 CG LEU A 81 -6.848 -0.565 -6.485 1.00 0.41 C ATOM 1040 CD1 LEU A 81 -7.927 -1.080 -5.543 1.00 1.08 C ATOM 1041 CD2 LEU A 81 -7.342 -0.608 -7.925 1.00 1.17 C ATOM 0 H LEU A 81 -5.719 3.197 -5.887 1.00 0.23 H new ATOM 0 HA LEU A 81 -7.410 1.834 -7.716 1.00 0.24 H new ATOM 0 HB2 LEU A 81 -5.378 0.995 -6.451 1.00 0.31 H new ATOM 0 HB3 LEU A 81 -6.384 0.928 -5.018 1.00 0.31 H new ATOM 0 HG LEU A 81 -5.980 -1.217 -6.392 1.00 0.41 H new ATOM 0 HD11 LEU A 81 -8.220 -2.087 -5.841 1.00 1.08 H new ATOM 0 HD12 LEU A 81 -7.541 -1.101 -4.524 1.00 1.08 H new ATOM 0 HD13 LEU A 81 -8.794 -0.422 -5.589 1.00 1.08 H new ATOM 0 HD21 LEU A 81 -7.653 -1.623 -8.173 1.00 1.17 H new ATOM 0 HD22 LEU A 81 -8.188 0.069 -8.040 1.00 1.17 H new ATOM 0 HD23 LEU A 81 -6.539 -0.301 -8.595 1.00 1.17 H new ATOM 1053 N LEU A 82 -8.643 2.409 -4.701 1.00 0.28 N ATOM 1054 CA LEU A 82 -9.890 2.511 -3.950 1.00 0.41 C ATOM 1055 C LEU A 82 -10.719 3.706 -4.409 1.00 0.46 C ATOM 1056 O LEU A 82 -11.862 3.885 -3.987 1.00 0.63 O ATOM 1057 CB LEU A 82 -9.622 2.608 -2.444 1.00 0.50 C ATOM 1058 CG LEU A 82 -9.050 1.347 -1.787 1.00 0.59 C ATOM 1059 CD1 LEU A 82 -9.661 0.098 -2.398 1.00 0.86 C ATOM 1060 CD2 LEU A 82 -7.538 1.314 -1.890 1.00 1.15 C ATOM 0 H LEU A 82 -7.808 2.646 -4.166 1.00 0.28 H new ATOM 0 HA LEU A 82 -10.459 1.602 -4.145 1.00 0.41 H new ATOM 0 HB2 LEU A 82 -8.930 3.432 -2.269 1.00 0.50 H new ATOM 0 HB3 LEU A 82 -10.556 2.864 -1.943 1.00 0.50 H new ATOM 0 HG LEU A 82 -9.311 1.372 -0.729 1.00 0.59 H new ATOM 0 HD11 LEU A 82 -9.241 -0.785 -1.917 1.00 0.86 H new ATOM 0 HD12 LEU A 82 -10.741 0.112 -2.251 1.00 0.86 H new ATOM 0 HD13 LEU A 82 -9.440 0.070 -3.465 1.00 0.86 H new ATOM 0 HD21 LEU A 82 -7.161 0.408 -1.415 1.00 1.15 H new ATOM 0 HD22 LEU A 82 -7.245 1.323 -2.940 1.00 1.15 H new ATOM 0 HD23 LEU A 82 -7.120 2.187 -1.389 1.00 1.15 H new ATOM 1072 N ASN A 83 -10.134 4.520 -5.267 1.00 0.45 N ATOM 1073 CA ASN A 83 -10.844 5.648 -5.862 1.00 0.55 C ATOM 1074 C ASN A 83 -11.434 5.237 -7.207 1.00 0.53 C ATOM 1075 O ASN A 83 -12.184 5.984 -7.834 1.00 0.59 O ATOM 1076 CB ASN A 83 -9.900 6.839 -6.051 1.00 0.67 C ATOM 1077 CG ASN A 83 -10.623 8.105 -6.471 1.00 0.85 C ATOM 1078 OD1 ASN A 83 -11.763 8.347 -6.075 1.00 1.37 O ATOM 1079 ND2 ASN A 83 -9.968 8.918 -7.283 1.00 1.46 N ATOM 0 H ASN A 83 -9.165 4.425 -5.572 1.00 0.45 H new ATOM 0 HA ASN A 83 -11.649 5.945 -5.190 1.00 0.55 H new ATOM 0 HB2 ASN A 83 -9.366 7.024 -5.119 1.00 0.67 H new ATOM 0 HB3 ASN A 83 -9.152 6.587 -6.803 1.00 0.67 H new ATOM 0 HD21 ASN A 83 -10.407 9.781 -7.603 1.00 1.46 H new ATOM 0 HD22 ASN A 83 -9.024 8.682 -7.589 1.00 1.46 H new ATOM 1086 N LYS A 84 -11.095 4.031 -7.639 1.00 0.50 N ATOM 1087 CA LYS A 84 -11.553 3.514 -8.920 1.00 0.58 C ATOM 1088 C LYS A 84 -12.449 2.303 -8.707 1.00 1.18 C ATOM 1089 O LYS A 84 -12.393 1.326 -9.456 1.00 1.86 O ATOM 1090 CB LYS A 84 -10.356 3.144 -9.803 1.00 1.18 C ATOM 1091 CG LYS A 84 -9.505 4.336 -10.207 1.00 1.90 C ATOM 1092 CD LYS A 84 -8.108 3.904 -10.631 1.00 2.86 C ATOM 1093 CE LYS A 84 -7.208 5.097 -10.926 1.00 3.49 C ATOM 1094 NZ LYS A 84 -7.667 5.876 -12.106 1.00 4.17 N ATOM 0 H LYS A 84 -10.500 3.388 -7.117 1.00 0.50 H new ATOM 0 HA LYS A 84 -12.129 4.289 -9.425 1.00 0.58 H new ATOM 0 HB2 LYS A 84 -9.731 2.426 -9.271 1.00 1.18 H new ATOM 0 HB3 LYS A 84 -10.719 2.646 -10.702 1.00 1.18 H new ATOM 0 HG2 LYS A 84 -9.987 4.868 -11.027 1.00 1.90 H new ATOM 0 HG3 LYS A 84 -9.434 5.034 -9.373 1.00 1.90 H new ATOM 0 HD2 LYS A 84 -7.661 3.298 -9.843 1.00 2.86 H new ATOM 0 HD3 LYS A 84 -8.177 3.273 -11.517 1.00 2.86 H new ATOM 0 HE2 LYS A 84 -7.177 5.749 -10.053 1.00 3.49 H new ATOM 0 HE3 LYS A 84 -6.190 4.747 -11.099 1.00 3.49 H new ATOM 0 HZ1 LYS A 84 -6.986 6.636 -12.307 1.00 4.17 H new ATOM 0 HZ2 LYS A 84 -7.737 5.247 -12.931 1.00 4.17 H new ATOM 0 HZ3 LYS A 84 -8.600 6.291 -11.907 1.00 4.17 H new ATOM 1108 N THR A 85 -13.272 2.383 -7.680 1.00 1.78 N ATOM 1109 CA THR A 85 -14.176 1.303 -7.330 1.00 2.69 C ATOM 1110 C THR A 85 -15.270 1.818 -6.394 1.00 3.28 C ATOM 1111 O THR A 85 -16.464 1.592 -6.690 1.00 3.79 O ATOM 1112 CB THR A 85 -13.419 0.103 -6.698 1.00 3.20 C ATOM 1113 OG1 THR A 85 -14.325 -0.970 -6.403 1.00 3.79 O ATOM 1114 CG2 THR A 85 -12.685 0.513 -5.434 1.00 2.93 C ATOM 1115 OXT THR A 85 -14.938 2.503 -5.403 1.00 3.62 O ATOM 0 H THR A 85 -13.334 3.195 -7.066 1.00 1.78 H new ATOM 0 HA THR A 85 -14.641 0.940 -8.246 1.00 2.69 H new ATOM 0 HB THR A 85 -12.685 -0.238 -7.428 1.00 3.20 H new ATOM 0 HG1 THR A 85 -13.829 -1.717 -6.007 1.00 3.79 H new ATOM 0 HG21 THR A 85 -12.166 -0.351 -5.018 1.00 2.93 H new ATOM 0 HG22 THR A 85 -11.960 1.292 -5.671 1.00 2.93 H new ATOM 0 HG23 THR A 85 -13.401 0.892 -4.705 1.00 2.93 H new TER 1123 THR A 85