USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= -0.265 K(o=-0.15,f=-3.4!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ 165:sc= 0.12 (180deg=0) USER MOD Set 2.1: A 21 HIS :FLIP no HD1:sc= -7.88! C(o=-9.3!,f=-8.4!) USER MOD Set 2.2: A 49 SER OG : rot 84:sc= 1.23 USER MOD Set 2.3: A 53 ASN : amide:sc= -1.77 K(o=-8.4,f=-12!) USER MOD Single : A 7 ASN : amide:sc=-0.00512 K(o=-0.0051,f=-0.86) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.036) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= -0.111 (180deg=-0.625) USER MOD Single : A 23 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.355 K(o=-0.36,f=-3!) USER MOD Single : A 38 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.39) USER MOD Single : A 39 TYR OH : rot 176:sc= -0.226 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.797 F(o=-1.3,f=-0.8) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 68:sc= 0.144 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -16.763 -4.737 -0.191 1.00 6.51 N ATOM 2 CA ILE A 6 -18.054 -5.242 0.260 1.00 5.95 C ATOM 3 C ILE A 6 -17.957 -6.721 0.612 1.00 5.14 C ATOM 4 O ILE A 6 -17.366 -7.508 -0.128 1.00 5.46 O ATOM 5 CB ILE A 6 -19.104 -5.038 -0.827 1.00 6.67 C ATOM 6 CG1 ILE A 6 -19.058 -3.604 -1.353 1.00 7.44 C ATOM 7 CG2 ILE A 6 -20.497 -5.372 -0.307 1.00 6.84 C ATOM 8 CD1 ILE A 6 -20.049 -3.394 -2.494 1.00 8.10 C ATOM 0 HA ILE A 6 -18.348 -4.689 1.152 1.00 5.95 H new ATOM 0 HB ILE A 6 -18.878 -5.716 -1.650 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -19.283 -2.911 -0.542 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -18.050 -3.374 -1.698 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -21.228 -5.219 -1.101 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -20.525 -6.413 0.016 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -20.736 -4.724 0.536 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -19.989 -2.363 -2.843 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -19.808 -4.070 -3.315 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -21.060 -3.599 -2.141 1.00 8.10 H new ATOM 20 N ASN A 7 -18.538 -7.092 1.748 1.00 4.48 N ATOM 21 CA ASN A 7 -18.519 -8.477 2.205 1.00 4.06 C ATOM 22 C ASN A 7 -17.091 -8.928 2.483 1.00 3.11 C ATOM 23 O ASN A 7 -16.332 -9.228 1.561 1.00 3.46 O ATOM 24 CB ASN A 7 -19.153 -9.383 1.153 1.00 4.82 C ATOM 25 CG ASN A 7 -19.609 -10.691 1.788 1.00 5.60 C ATOM 26 OD1 ASN A 7 -18.792 -11.481 2.263 1.00 5.87 O ATOM 27 ND2 ASN A 7 -20.916 -10.921 1.798 1.00 6.34 N ATOM 0 H ASN A 7 -19.029 -6.451 2.371 1.00 4.48 H new ATOM 0 HA ASN A 7 -19.093 -8.544 3.129 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -20.003 -8.878 0.693 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -18.435 -9.587 0.359 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -21.280 -11.780 2.211 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -21.557 -10.239 1.393 1.00 6.34 H new ATOM 34 N ARG A 8 -16.731 -8.975 3.761 1.00 2.49 N ATOM 35 CA ARG A 8 -15.392 -9.389 4.166 1.00 2.11 C ATOM 36 C ARG A 8 -14.344 -8.402 3.661 1.00 1.69 C ATOM 37 O ARG A 8 -13.171 -8.748 3.523 1.00 2.38 O ATOM 38 CB ARG A 8 -15.095 -10.784 3.620 1.00 2.95 C ATOM 39 CG ARG A 8 -14.821 -11.780 4.744 1.00 3.61 C ATOM 40 CD ARG A 8 -15.697 -13.024 4.616 1.00 4.57 C ATOM 41 NE ARG A 8 -14.876 -14.197 4.338 1.00 5.39 N ATOM 42 CZ ARG A 8 -14.973 -14.862 3.191 1.00 6.19 C ATOM 43 NH1 ARG A 8 -16.037 -15.615 2.947 1.00 6.68 N ATOM 44 NH2 ARG A 8 -14.006 -14.775 2.288 1.00 6.74 N ATOM 0 H ARG A 8 -17.348 -8.731 4.535 1.00 2.49 H new ATOM 0 HA ARG A 8 -15.351 -9.408 5.255 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -15.940 -11.130 3.024 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -14.233 -10.739 2.954 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -13.770 -12.070 4.726 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -15.004 -11.303 5.707 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -16.260 -13.176 5.537 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -16.425 -12.884 3.817 1.00 4.57 H new ATOM 0 HE ARG A 8 -14.210 -14.515 5.042 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -16.782 -15.684 3.640 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -16.110 -16.125 2.066 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -13.186 -14.197 2.473 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -14.082 -15.286 1.408 1.00 6.74 H new ATOM 58 N MET A 9 -14.770 -7.172 3.388 1.00 1.18 N ATOM 59 CA MET A 9 -13.864 -6.139 2.900 1.00 0.82 C ATOM 60 C MET A 9 -13.133 -6.618 1.652 1.00 0.72 C ATOM 61 O MET A 9 -13.398 -7.709 1.146 1.00 0.97 O ATOM 62 CB MET A 9 -12.854 -5.777 3.983 1.00 1.08 C ATOM 63 CG MET A 9 -13.516 -5.662 5.353 1.00 1.61 C ATOM 64 SD MET A 9 -13.283 -7.137 6.358 1.00 2.27 S ATOM 65 CE MET A 9 -11.861 -6.652 7.349 1.00 2.82 C ATOM 0 H MET A 9 -15.737 -6.867 3.497 1.00 1.18 H new ATOM 0 HA MET A 9 -14.450 -5.256 2.646 1.00 0.82 H new ATOM 0 HB2 MET A 9 -12.071 -6.535 4.019 1.00 1.08 H new ATOM 0 HB3 MET A 9 -12.372 -4.832 3.731 1.00 1.08 H new ATOM 0 HG2 MET A 9 -13.107 -4.800 5.879 1.00 1.61 H new ATOM 0 HG3 MET A 9 -14.583 -5.480 5.223 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.594 -7.465 8.025 1.00 2.82 H new ATOM 0 HE2 MET A 9 -11.018 -6.434 6.693 1.00 2.82 H new ATOM 0 HE3 MET A 9 -12.108 -5.764 7.930 1.00 2.82 H new ATOM 75 N ASP A 10 -12.208 -5.799 1.163 1.00 0.49 N ATOM 76 CA ASP A 10 -11.434 -6.142 -0.025 1.00 0.42 C ATOM 77 C ASP A 10 -9.945 -5.968 0.240 1.00 0.38 C ATOM 78 O ASP A 10 -9.541 -5.099 1.012 1.00 0.54 O ATOM 79 CB ASP A 10 -11.858 -5.265 -1.200 1.00 0.44 C ATOM 80 CG ASP A 10 -13.368 -5.329 -1.391 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.897 -6.444 -1.582 1.00 1.55 O ATOM 82 OD2 ASP A 10 -14.017 -4.263 -1.350 1.00 1.53 O ATOM 0 H ASP A 10 -11.976 -4.893 1.571 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.626 -7.186 -0.272 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.551 -4.234 -1.023 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.355 -5.596 -2.109 1.00 0.44 H new ATOM 87 N TYR A 11 -9.133 -6.800 -0.402 1.00 0.40 N ATOM 88 CA TYR A 11 -7.685 -6.742 -0.234 1.00 0.37 C ATOM 89 C TYR A 11 -6.979 -7.014 -1.557 1.00 0.34 C ATOM 90 O TYR A 11 -7.505 -7.715 -2.421 1.00 0.38 O ATOM 91 CB TYR A 11 -7.241 -7.765 0.810 1.00 0.42 C ATOM 92 CG TYR A 11 -7.388 -9.191 0.338 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.400 -9.769 -0.440 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.509 -9.926 0.680 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.532 -11.077 -0.874 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.642 -11.234 0.246 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.654 -11.803 -0.529 1.00 0.67 C ATOM 98 OH TYR A 11 -7.786 -13.103 -0.961 1.00 0.78 O ATOM 0 H TYR A 11 -9.453 -7.524 -1.045 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.416 -5.741 0.104 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.199 -7.580 1.072 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.827 -7.627 1.719 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.524 -9.198 -0.709 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.282 -9.478 1.287 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -5.760 -11.528 -1.480 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.517 -11.807 0.514 1.00 0.63 H new ATOM 0 HH TYR A 11 -8.631 -13.473 -0.631 1.00 0.78 H new ATOM 108 N VAL A 12 -5.782 -6.455 -1.707 1.00 0.34 N ATOM 109 CA VAL A 12 -4.992 -6.632 -2.922 1.00 0.34 C ATOM 110 C VAL A 12 -3.508 -6.493 -2.609 1.00 0.35 C ATOM 111 O VAL A 12 -3.118 -5.709 -1.745 1.00 0.51 O ATOM 112 CB VAL A 12 -5.389 -5.610 -4.000 1.00 0.38 C ATOM 113 CG1 VAL A 12 -6.257 -6.269 -5.067 1.00 0.81 C ATOM 114 CG2 VAL A 12 -6.098 -4.390 -3.408 1.00 0.52 C ATOM 0 H VAL A 12 -5.336 -5.873 -0.999 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.192 -7.632 -3.306 1.00 0.34 H new ATOM 0 HB VAL A 12 -4.468 -5.254 -4.462 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.529 -5.531 -5.822 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -5.702 -7.081 -5.537 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -7.161 -6.666 -4.606 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -6.359 -3.697 -4.208 1.00 0.52 H new ATOM 0 HG22 VAL A 12 -7.005 -4.710 -2.895 1.00 0.52 H new ATOM 0 HG23 VAL A 12 -5.436 -3.893 -2.699 1.00 0.52 H new ATOM 124 N GLU A 13 -2.683 -7.261 -3.314 1.00 0.49 N ATOM 125 CA GLU A 13 -1.239 -7.225 -3.108 1.00 0.54 C ATOM 126 C GLU A 13 -0.531 -6.718 -4.358 1.00 0.50 C ATOM 127 O GLU A 13 -0.875 -7.101 -5.476 1.00 0.60 O ATOM 128 CB GLU A 13 -0.725 -8.618 -2.754 1.00 0.67 C ATOM 129 CG GLU A 13 -1.641 -9.329 -1.762 1.00 1.05 C ATOM 130 CD GLU A 13 -0.900 -9.605 -0.461 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.011 -8.806 -0.100 1.00 2.05 O ATOM 132 OE2 GLU A 13 -1.209 -10.623 0.195 1.00 1.97 O ATOM 0 H GLU A 13 -2.990 -7.916 -4.033 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.027 -6.543 -2.285 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.641 -9.215 -3.662 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.276 -8.538 -2.331 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.520 -8.715 -1.564 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.996 -10.266 -2.192 1.00 1.05 H new ATOM 139 N ILE A 14 0.466 -5.861 -4.161 1.00 0.48 N ATOM 140 CA ILE A 14 1.234 -5.305 -5.274 1.00 0.49 C ATOM 141 C ILE A 14 2.675 -5.791 -5.217 1.00 0.48 C ATOM 142 O ILE A 14 3.364 -5.606 -4.213 1.00 0.43 O ATOM 143 CB ILE A 14 1.207 -3.775 -5.251 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.164 -3.241 -3.819 1.00 0.51 C ATOM 145 CG2 ILE A 14 0.026 -3.243 -6.054 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.751 -1.835 -3.728 1.00 0.63 C ATOM 0 H ILE A 14 0.763 -5.535 -3.241 1.00 0.48 H new ATOM 0 HA ILE A 14 0.774 -5.647 -6.201 1.00 0.49 H new ATOM 0 HB ILE A 14 2.128 -3.421 -5.714 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.133 -3.230 -3.465 1.00 0.51 H new ATOM 0 HG13 ILE A 14 1.719 -3.911 -3.163 1.00 0.51 H new ATOM 0 HG21 ILE A 14 0.027 -2.153 -6.024 1.00 0.64 H new ATOM 0 HG22 ILE A 14 0.109 -3.577 -7.088 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.904 -3.617 -5.625 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.704 -1.487 -2.696 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.790 -1.852 -4.058 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.179 -1.160 -4.365 1.00 0.63 H new ATOM 158 N ASN A 15 3.123 -6.417 -6.301 1.00 0.59 N ATOM 159 CA ASN A 15 4.482 -6.937 -6.382 1.00 0.62 C ATOM 160 C ASN A 15 5.478 -5.802 -6.575 1.00 0.60 C ATOM 161 O ASN A 15 5.647 -5.292 -7.682 1.00 0.78 O ATOM 162 CB ASN A 15 4.590 -7.925 -7.537 1.00 0.79 C ATOM 163 CG ASN A 15 5.184 -9.241 -7.053 1.00 1.31 C ATOM 164 OD1 ASN A 15 6.194 -9.710 -7.578 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.555 -9.840 -6.049 1.00 1.54 N ATOM 0 H ASN A 15 2.562 -6.576 -7.138 1.00 0.59 H new ATOM 0 HA ASN A 15 4.716 -7.448 -5.448 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.604 -8.100 -7.968 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.213 -7.505 -8.326 1.00 0.79 H new ATOM 0 HD21 ASN A 15 4.906 -10.725 -5.683 1.00 1.54 H new ATOM 0 HD22 ASN A 15 3.721 -9.415 -5.644 1.00 1.54 H new ATOM 172 N ILE A 16 6.133 -5.411 -5.489 1.00 0.49 N ATOM 173 CA ILE A 16 7.115 -4.334 -5.532 1.00 0.49 C ATOM 174 C ILE A 16 8.527 -4.896 -5.426 1.00 0.56 C ATOM 175 O ILE A 16 8.732 -5.992 -4.904 1.00 0.66 O ATOM 176 CB ILE A 16 6.853 -3.353 -4.394 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.445 -2.765 -4.509 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.898 -2.243 -4.381 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.329 -1.812 -5.696 1.00 0.84 C ATOM 0 H ILE A 16 6.002 -5.824 -4.566 1.00 0.49 H new ATOM 0 HA ILE A 16 7.023 -3.811 -6.484 1.00 0.49 H new ATOM 0 HB ILE A 16 6.926 -3.897 -3.452 1.00 0.48 H new ATOM 0 HG12 ILE A 16 4.721 -3.572 -4.618 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.195 -2.235 -3.590 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.689 -1.556 -3.561 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.889 -2.678 -4.248 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.864 -1.700 -5.326 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.315 -1.414 -5.746 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.035 -0.991 -5.574 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.553 -2.349 -6.617 1.00 0.84 H new ATOM 191 N ASP A 17 9.500 -4.143 -5.929 1.00 0.63 N ATOM 192 CA ASP A 17 10.894 -4.572 -5.894 1.00 0.75 C ATOM 193 C ASP A 17 11.783 -3.475 -5.326 1.00 1.00 C ATOM 194 O ASP A 17 12.362 -3.629 -4.250 1.00 1.75 O ATOM 195 CB ASP A 17 11.359 -4.935 -7.299 1.00 1.27 C ATOM 196 CG ASP A 17 11.260 -6.439 -7.517 1.00 1.63 C ATOM 197 OD1 ASP A 17 10.456 -7.090 -6.818 1.00 2.16 O ATOM 198 OD2 ASP A 17 11.987 -6.963 -8.387 1.00 2.21 O ATOM 0 H ASP A 17 9.349 -3.233 -6.365 1.00 0.63 H new ATOM 0 HA ASP A 17 10.969 -5.447 -5.249 1.00 0.75 H new ATOM 0 HB2 ASP A 17 10.750 -4.413 -8.037 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.388 -4.607 -7.445 1.00 1.27 H new ATOM 203 N HIS A 18 11.890 -2.368 -6.056 1.00 1.27 N ATOM 204 CA HIS A 18 12.714 -1.240 -5.627 1.00 1.85 C ATOM 205 C HIS A 18 12.442 -0.902 -4.165 1.00 1.32 C ATOM 206 O HIS A 18 11.508 -1.431 -3.562 1.00 2.00 O ATOM 207 CB HIS A 18 12.429 -0.024 -6.503 1.00 2.83 C ATOM 208 CG HIS A 18 13.360 0.085 -7.671 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.043 1.232 -7.985 1.00 4.01 N ATOM 210 CD2 HIS A 18 13.733 -0.814 -8.618 1.00 4.16 C ATOM 211 CE1 HIS A 18 14.787 1.060 -9.051 1.00 4.73 C ATOM 212 NE2 HIS A 18 14.623 -0.185 -9.469 1.00 4.84 N ATOM 0 H HIS A 18 11.416 -2.227 -6.948 1.00 1.27 H new ATOM 0 HA HIS A 18 13.763 -1.519 -5.730 1.00 1.85 H new ATOM 0 HB2 HIS A 18 11.403 -0.077 -6.867 1.00 2.83 H new ATOM 0 HB3 HIS A 18 12.506 0.879 -5.898 1.00 2.83 H new ATOM 0 HD2 HIS A 18 13.395 -1.837 -8.693 1.00 4.16 H new ATOM 0 HE1 HIS A 18 15.422 1.804 -9.508 1.00 4.73 H new ATOM 0 HE2 HIS A 18 15.075 -0.608 -10.280 1.00 4.84 H new ATOM 220 N LYS A 19 13.261 -0.025 -3.601 1.00 0.82 N ATOM 221 CA LYS A 19 13.105 0.375 -2.208 1.00 0.84 C ATOM 222 C LYS A 19 11.925 1.324 -2.049 1.00 0.77 C ATOM 223 O LYS A 19 12.087 2.458 -1.601 1.00 1.13 O ATOM 224 CB LYS A 19 14.381 1.046 -1.708 1.00 1.47 C ATOM 225 CG LYS A 19 14.881 2.105 -2.685 1.00 1.97 C ATOM 226 CD LYS A 19 15.780 3.126 -1.993 1.00 2.72 C ATOM 227 CE LYS A 19 16.999 3.470 -2.844 1.00 3.37 C ATOM 228 NZ LYS A 19 17.854 2.272 -3.077 1.00 4.03 N ATOM 0 H LYS A 19 14.039 0.423 -4.085 1.00 0.82 H new ATOM 0 HA LYS A 19 12.914 -0.519 -1.614 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.194 1.505 -0.737 1.00 1.47 H new ATOM 0 HB3 LYS A 19 15.155 0.293 -1.561 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.431 1.624 -3.494 1.00 1.97 H new ATOM 0 HG3 LYS A 19 14.030 2.615 -3.137 1.00 1.97 H new ATOM 0 HD2 LYS A 19 15.211 4.033 -1.788 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.107 2.731 -1.031 1.00 2.72 H new ATOM 0 HE2 LYS A 19 16.673 3.878 -3.801 1.00 3.37 H new ATOM 0 HE3 LYS A 19 17.583 4.245 -2.349 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 18.838 2.572 -3.232 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 17.810 1.647 -2.247 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 17.512 1.759 -3.915 1.00 4.03 H new ATOM 242 N PHE A 20 10.735 0.852 -2.410 1.00 0.63 N ATOM 243 CA PHE A 20 9.534 1.640 -2.301 1.00 0.61 C ATOM 244 C PHE A 20 9.180 1.855 -0.845 1.00 0.62 C ATOM 245 O PHE A 20 8.787 2.949 -0.439 1.00 0.95 O ATOM 246 CB PHE A 20 8.410 0.883 -2.976 1.00 0.62 C ATOM 247 CG PHE A 20 8.348 1.091 -4.471 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.507 1.322 -5.196 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.127 1.054 -5.126 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.444 1.515 -6.565 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.066 1.245 -6.495 1.00 1.17 C ATOM 252 CZ PHE A 20 8.224 1.477 -7.214 1.00 1.19 C ATOM 0 H PHE A 20 10.587 -0.085 -2.784 1.00 0.63 H new ATOM 0 HA PHE A 20 9.687 2.610 -2.773 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.526 -0.181 -2.771 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.461 1.191 -2.536 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.461 1.351 -4.691 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.221 0.876 -4.566 1.00 0.96 H new ATOM 0 HE1 PHE A 20 10.349 1.695 -7.127 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.113 1.213 -7.002 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.175 1.628 -8.282 1.00 1.19 H new ATOM 262 N HIS A 21 9.310 0.790 -0.066 1.00 0.53 N ATOM 263 CA HIS A 21 8.994 0.836 1.350 1.00 0.57 C ATOM 264 C HIS A 21 9.782 1.940 2.036 1.00 0.69 C ATOM 265 O HIS A 21 9.209 2.859 2.621 1.00 1.03 O ATOM 266 CB HIS A 21 9.313 -0.504 2.002 1.00 0.54 C ATOM 267 CG HIS A 21 8.553 -1.649 1.404 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.001 -1.829 0.174 1.00 0.48 N flip ATOM 269 CD2 HIS A 21 8.274 -2.805 2.086 1.00 0.44 C flip ATOM 270 CE1 HIS A 21 7.411 -3.079 0.155 1.00 0.45 C flip ATOM 271 NE2 HIS A 21 7.598 -3.644 1.336 1.00 0.42 N flip ATOM 0 H HIS A 21 9.634 -0.119 -0.395 1.00 0.53 H new ATOM 0 HA HIS A 21 7.930 1.044 1.458 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.382 -0.699 1.911 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.089 -0.445 3.067 1.00 0.54 H new ATOM 0 HD2 HIS A 21 8.571 -3.000 3.106 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.887 -3.519 -0.681 1.00 0.45 H new ATOM 0 HE2 HIS A 21 7.274 -4.570 1.615 1.00 0.42 H new ATOM 279 N ARG A 22 11.104 1.836 1.966 1.00 0.68 N ATOM 280 CA ARG A 22 11.985 2.817 2.583 1.00 0.80 C ATOM 281 C ARG A 22 11.624 4.224 2.127 1.00 0.81 C ATOM 282 O ARG A 22 11.774 5.190 2.876 1.00 0.92 O ATOM 283 CB ARG A 22 13.435 2.515 2.218 1.00 0.93 C ATOM 284 CG ARG A 22 14.388 2.888 3.350 1.00 1.64 C ATOM 285 CD ARG A 22 14.424 1.810 4.430 1.00 2.14 C ATOM 286 NE ARG A 22 14.661 2.411 5.736 1.00 2.73 N ATOM 287 CZ ARG A 22 15.343 1.774 6.682 1.00 3.33 C ATOM 288 NH1 ARG A 22 14.769 0.799 7.374 1.00 3.95 N ATOM 289 NH2 ARG A 22 16.600 2.111 6.938 1.00 3.72 N ATOM 0 H ARG A 22 11.590 1.078 1.486 1.00 0.68 H new ATOM 0 HA ARG A 22 11.863 2.758 3.665 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.540 1.455 1.988 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.706 3.065 1.317 1.00 0.93 H new ATOM 0 HG2 ARG A 22 15.391 3.036 2.949 1.00 1.64 H new ATOM 0 HG3 ARG A 22 14.078 3.836 3.791 1.00 1.64 H new ATOM 0 HD2 ARG A 22 13.481 1.263 4.439 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.209 1.088 4.207 1.00 2.14 H new ATOM 0 HE ARG A 22 14.295 3.343 5.929 1.00 2.73 H new ATOM 0 HH11 ARG A 22 13.802 0.537 7.180 1.00 3.95 H new ATOM 0 HH12 ARG A 22 15.294 0.311 8.100 1.00 3.95 H new ATOM 0 HH21 ARG A 22 17.045 2.860 6.408 1.00 3.72 H new ATOM 0 HH22 ARG A 22 17.122 1.621 7.665 1.00 3.72 H new ATOM 303 N HIS A 23 11.154 4.333 0.890 1.00 0.90 N ATOM 304 CA HIS A 23 10.777 5.622 0.319 1.00 0.98 C ATOM 305 C HIS A 23 9.406 6.059 0.818 1.00 0.96 C ATOM 306 O HIS A 23 9.221 7.203 1.232 1.00 1.12 O ATOM 307 CB HIS A 23 10.766 5.526 -1.203 1.00 1.02 C ATOM 308 CG HIS A 23 12.004 6.085 -1.832 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.251 5.961 -1.277 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.201 6.781 -2.981 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.160 6.537 -2.027 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.554 7.052 -3.083 1.00 1.86 N ATOM 0 H HIS A 23 11.024 3.541 0.260 1.00 0.90 H new ATOM 0 HA HIS A 23 11.509 6.366 0.634 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.656 4.482 -1.495 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.897 6.058 -1.589 1.00 1.02 H new ATOM 0 HD2 HIS A 23 11.438 7.071 -3.689 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.219 6.583 -1.818 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.006 7.561 -3.842 1.00 1.86 H new ATOM 320 N LEU A 24 8.446 5.143 0.767 1.00 0.86 N ATOM 321 CA LEU A 24 7.084 5.430 1.202 1.00 0.87 C ATOM 322 C LEU A 24 7.048 5.806 2.678 1.00 0.97 C ATOM 323 O LEU A 24 6.635 6.910 3.034 1.00 1.16 O ATOM 324 CB LEU A 24 6.198 4.219 0.948 1.00 0.73 C ATOM 325 CG LEU A 24 5.690 4.207 -0.489 1.00 0.76 C ATOM 326 CD1 LEU A 24 5.787 2.807 -1.085 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.262 4.734 -0.556 1.00 1.25 C ATOM 0 H LEU A 24 8.586 4.192 0.427 1.00 0.86 H new ATOM 0 HA LEU A 24 6.711 6.279 0.629 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.758 3.306 1.147 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.353 4.231 1.636 1.00 0.73 H new ATOM 0 HG LEU A 24 6.322 4.867 -1.083 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.419 2.822 -2.111 1.00 0.72 H new ATOM 0 HD12 LEU A 24 6.827 2.479 -1.077 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.185 2.117 -0.494 1.00 0.72 H new ATOM 0 HD21 LEU A 24 3.916 4.718 -1.590 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.613 4.105 0.053 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.234 5.757 -0.180 1.00 1.25 H new ATOM 339 N ILE A 25 7.477 4.886 3.535 1.00 0.92 N ATOM 340 CA ILE A 25 7.486 5.130 4.974 1.00 1.10 C ATOM 341 C ILE A 25 8.790 5.797 5.398 1.00 1.41 C ATOM 342 O ILE A 25 9.772 5.124 5.712 1.00 1.91 O ATOM 343 CB ILE A 25 7.302 3.819 5.729 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.300 2.771 5.248 1.00 0.90 C ATOM 345 CG2 ILE A 25 5.875 3.302 5.581 1.00 1.06 C ATOM 346 CD1 ILE A 25 8.824 1.929 6.406 1.00 0.91 C ATOM 0 H ILE A 25 7.822 3.967 3.260 1.00 0.92 H new ATOM 0 HA ILE A 25 6.660 5.799 5.215 1.00 1.10 H new ATOM 0 HB ILE A 25 7.489 4.012 6.785 1.00 0.94 H new ATOM 0 HG12 ILE A 25 7.824 2.124 4.512 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.134 3.263 4.747 1.00 0.90 H new ATOM 0 HG21 ILE A 25 5.769 2.366 6.129 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.178 4.038 5.982 1.00 1.06 H new ATOM 0 HG23 ILE A 25 5.657 3.133 4.527 1.00 1.06 H new ATOM 0 HD11 ILE A 25 9.533 1.192 6.028 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.322 2.575 7.129 1.00 0.91 H new ATOM 0 HD13 ILE A 25 7.992 1.417 6.890 1.00 0.91 H new ATOM 358 N GLY A 26 8.792 7.126 5.404 1.00 1.49 N ATOM 359 CA GLY A 26 9.972 7.891 5.788 1.00 1.87 C ATOM 360 C GLY A 26 10.449 7.499 7.180 1.00 1.82 C ATOM 361 O GLY A 26 9.833 7.860 8.184 1.00 2.29 O ATOM 0 H GLY A 26 7.987 7.697 5.146 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.770 7.722 5.065 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.742 8.956 5.765 1.00 1.87 H new ATOM 365 N LYS A 27 11.553 6.761 7.235 1.00 1.86 N ATOM 366 CA LYS A 27 12.119 6.320 8.504 1.00 1.91 C ATOM 367 C LYS A 27 11.141 5.417 9.246 1.00 1.62 C ATOM 368 O LYS A 27 11.236 4.191 9.171 1.00 2.38 O ATOM 369 CB LYS A 27 12.470 7.529 9.367 1.00 2.21 C ATOM 370 CG LYS A 27 13.660 8.297 8.800 1.00 2.65 C ATOM 371 CD LYS A 27 14.985 7.674 9.228 1.00 3.30 C ATOM 372 CE LYS A 27 15.482 6.656 8.205 1.00 3.80 C ATOM 373 NZ LYS A 27 16.950 6.436 8.329 1.00 4.51 N ATOM 0 H LYS A 27 12.074 6.455 6.413 1.00 1.86 H new ATOM 0 HA LYS A 27 13.026 5.751 8.298 1.00 1.91 H new ATOM 0 HB2 LYS A 27 11.607 8.192 9.434 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.698 7.199 10.381 1.00 2.21 H new ATOM 0 HG2 LYS A 27 13.599 8.312 7.712 1.00 2.65 H new ATOM 0 HG3 LYS A 27 13.619 9.333 9.136 1.00 2.65 H new ATOM 0 HD2 LYS A 27 15.732 8.457 9.355 1.00 3.30 H new ATOM 0 HD3 LYS A 27 14.864 7.189 10.196 1.00 3.30 H new ATOM 0 HE2 LYS A 27 14.957 5.711 8.345 1.00 3.80 H new ATOM 0 HE3 LYS A 27 15.248 7.004 7.199 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 17.258 5.739 7.621 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 17.450 7.334 8.171 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 17.169 6.081 9.282 1.00 4.51 H new ATOM 387 N SER A 28 10.203 6.027 9.964 1.00 1.28 N ATOM 388 CA SER A 28 9.208 5.276 10.722 1.00 1.60 C ATOM 389 C SER A 28 7.979 4.995 9.867 1.00 1.60 C ATOM 390 O SER A 28 7.394 3.915 9.938 1.00 2.28 O ATOM 391 CB SER A 28 8.803 6.058 11.966 1.00 1.99 C ATOM 392 OG SER A 28 7.583 5.554 12.493 1.00 2.57 O ATOM 0 H SER A 28 10.111 7.040 10.037 1.00 1.28 H new ATOM 0 HA SER A 28 9.649 4.325 11.021 1.00 1.60 H new ATOM 0 HB2 SER A 28 9.588 5.988 12.719 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.691 7.114 11.719 1.00 1.99 H new ATOM 0 HG SER A 28 7.336 6.065 13.292 1.00 2.57 H new ATOM 398 N GLY A 29 7.589 5.975 9.059 1.00 1.21 N ATOM 399 CA GLY A 29 6.427 5.837 8.190 1.00 1.23 C ATOM 400 C GLY A 29 5.400 6.925 8.481 1.00 1.36 C ATOM 401 O GLY A 29 4.989 7.110 9.627 1.00 2.05 O ATOM 0 H GLY A 29 8.062 6.876 8.988 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.739 5.895 7.147 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.974 4.856 8.334 1.00 1.23 H new ATOM 405 N ALA A 30 4.992 7.646 7.442 1.00 1.00 N ATOM 406 CA ALA A 30 4.015 8.719 7.592 1.00 1.10 C ATOM 407 C ALA A 30 3.061 8.754 6.405 1.00 1.06 C ATOM 408 O ALA A 30 1.849 8.882 6.574 1.00 1.43 O ATOM 409 CB ALA A 30 4.733 10.061 7.720 1.00 1.27 C ATOM 0 H ALA A 30 5.322 7.507 6.487 1.00 1.00 H new ATOM 0 HA ALA A 30 3.434 8.531 8.495 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.998 10.858 7.832 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.384 10.043 8.594 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.330 10.241 6.826 1.00 1.27 H new ATOM 415 N ASN A 31 3.613 8.641 5.201 1.00 0.73 N ATOM 416 CA ASN A 31 2.809 8.661 3.983 1.00 0.69 C ATOM 417 C ASN A 31 1.667 7.658 4.079 1.00 0.60 C ATOM 418 O ASN A 31 0.571 7.895 3.567 1.00 0.58 O ATOM 419 CB ASN A 31 3.684 8.338 2.775 1.00 0.71 C ATOM 420 CG ASN A 31 3.865 9.576 1.907 1.00 1.24 C ATOM 421 OD1 ASN A 31 3.029 10.480 1.916 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.958 9.618 1.155 1.00 1.42 N ATOM 0 H ASN A 31 4.615 8.534 5.042 1.00 0.73 H new ATOM 0 HA ASN A 31 2.387 9.659 3.863 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.656 7.974 3.108 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.228 7.539 2.190 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.132 10.423 0.553 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.624 8.846 1.179 1.00 1.42 H new ATOM 429 N ILE A 32 1.929 6.536 4.742 1.00 0.58 N ATOM 430 CA ILE A 32 0.925 5.492 4.910 1.00 0.56 C ATOM 431 C ILE A 32 -0.365 6.081 5.462 1.00 0.52 C ATOM 432 O ILE A 32 -1.455 5.572 5.200 1.00 0.51 O ATOM 433 CB ILE A 32 1.446 4.414 5.851 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.917 5.031 7.165 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.573 3.621 5.198 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.084 3.976 8.253 1.00 1.07 C ATOM 0 H ILE A 32 2.830 6.327 5.172 1.00 0.58 H new ATOM 0 HA ILE A 32 0.719 5.047 3.936 1.00 0.56 H new ATOM 0 HB ILE A 32 0.627 3.727 6.066 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.865 5.545 7.007 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.198 5.782 7.493 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.929 2.857 5.890 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.204 3.145 4.290 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.393 4.294 4.947 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.420 4.453 9.174 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.129 3.480 8.429 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.822 3.239 7.935 1.00 1.07 H new ATOM 448 N ASN A 33 -0.234 7.163 6.223 1.00 0.56 N ATOM 449 CA ASN A 33 -1.388 7.829 6.810 1.00 0.59 C ATOM 450 C ASN A 33 -2.060 8.723 5.778 1.00 0.54 C ATOM 451 O ASN A 33 -3.286 8.818 5.728 1.00 0.55 O ATOM 452 CB ASN A 33 -0.958 8.659 8.016 1.00 0.71 C ATOM 453 CG ASN A 33 -1.958 8.496 9.153 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.733 7.540 9.180 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.942 9.429 10.096 1.00 1.62 N ATOM 0 H ASN A 33 0.662 7.597 6.447 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.100 7.071 7.137 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.033 8.347 8.346 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.884 9.710 7.735 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.589 9.370 10.882 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.283 10.205 10.035 1.00 1.62 H new ATOM 462 N ARG A 34 -1.250 9.375 4.950 1.00 0.55 N ATOM 463 CA ARG A 34 -1.767 10.260 3.913 1.00 0.56 C ATOM 464 C ARG A 34 -2.806 9.536 3.069 1.00 0.48 C ATOM 465 O ARG A 34 -3.856 10.094 2.748 1.00 0.48 O ATOM 466 CB ARG A 34 -0.626 10.748 3.025 1.00 0.65 C ATOM 467 CG ARG A 34 0.267 11.748 3.756 1.00 0.89 C ATOM 468 CD ARG A 34 -0.334 13.151 3.740 1.00 1.22 C ATOM 469 NE ARG A 34 -0.311 13.727 5.079 1.00 1.69 N ATOM 470 CZ ARG A 34 -0.971 13.172 6.090 1.00 2.27 C ATOM 471 NH1 ARG A 34 -2.288 13.031 6.026 1.00 2.78 N ATOM 472 NH2 ARG A 34 -0.316 12.755 7.164 1.00 2.90 N ATOM 0 H ARG A 34 -0.233 9.307 4.977 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.239 11.118 4.391 1.00 0.56 H new ATOM 0 HB2 ARG A 34 -0.029 9.897 2.699 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -1.035 11.213 2.128 1.00 0.65 H new ATOM 0 HG2 ARG A 34 0.410 11.424 4.787 1.00 0.89 H new ATOM 0 HG3 ARG A 34 1.252 11.767 3.289 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.226 13.786 3.054 1.00 1.22 H new ATOM 0 HD3 ARG A 34 -1.359 13.111 3.372 1.00 1.22 H new ATOM 0 HE ARG A 34 0.226 14.578 5.244 1.00 1.69 H new ATOM 0 HH11 ARG A 34 -2.795 13.349 5.200 1.00 2.78 H new ATOM 0 HH12 ARG A 34 -2.794 12.605 6.803 1.00 2.78 H new ATOM 0 HH21 ARG A 34 0.697 12.860 7.216 1.00 2.90 H new ATOM 0 HH22 ARG A 34 -0.825 12.329 7.939 1.00 2.90 H new ATOM 486 N ILE A 35 -2.512 8.289 2.714 1.00 0.45 N ATOM 487 CA ILE A 35 -3.428 7.489 1.907 1.00 0.40 C ATOM 488 C ILE A 35 -4.545 6.919 2.774 1.00 0.34 C ATOM 489 O ILE A 35 -5.721 7.214 2.561 1.00 0.34 O ATOM 490 CB ILE A 35 -2.668 6.356 1.225 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.557 6.916 0.339 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.613 5.482 0.407 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.278 7.165 1.134 1.00 1.29 C ATOM 0 H ILE A 35 -1.649 7.811 2.972 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.872 8.131 1.146 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.216 5.736 1.999 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.352 6.218 -0.473 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.890 7.848 -0.118 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.047 4.681 -0.069 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.369 5.051 1.063 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.099 6.088 -0.358 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.491 7.563 0.471 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.478 7.882 1.930 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.068 6.228 1.569 1.00 1.29 H new ATOM 505 N LYS A 36 -4.167 6.100 3.755 1.00 0.35 N ATOM 506 CA LYS A 36 -5.125 5.475 4.671 1.00 0.36 C ATOM 507 C LYS A 36 -6.232 6.448 5.070 1.00 0.39 C ATOM 508 O LYS A 36 -7.367 6.042 5.312 1.00 0.51 O ATOM 509 CB LYS A 36 -4.395 4.986 5.920 1.00 0.44 C ATOM 510 CG LYS A 36 -5.352 4.339 6.919 1.00 1.09 C ATOM 511 CD LYS A 36 -5.035 4.758 8.351 1.00 1.41 C ATOM 512 CE LYS A 36 -6.130 5.648 8.932 1.00 2.17 C ATOM 513 NZ LYS A 36 -5.635 6.417 10.108 1.00 2.76 N ATOM 0 H LYS A 36 -3.195 5.851 3.938 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.586 4.632 4.156 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.627 4.267 5.634 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.886 5.824 6.395 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.377 4.619 6.676 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.289 3.254 6.834 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.919 3.870 8.973 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.084 5.290 8.373 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -6.485 6.338 8.167 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -6.981 5.035 9.228 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -6.300 7.187 10.324 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -5.559 5.784 10.930 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -4.700 6.817 9.892 1.00 2.76 H new ATOM 527 N ASP A 37 -5.894 7.732 5.132 1.00 0.40 N ATOM 528 CA ASP A 37 -6.862 8.758 5.495 1.00 0.45 C ATOM 529 C ASP A 37 -7.565 9.283 4.250 1.00 0.44 C ATOM 530 O ASP A 37 -8.792 9.372 4.208 1.00 0.60 O ATOM 531 CB ASP A 37 -6.165 9.900 6.217 1.00 0.51 C ATOM 532 CG ASP A 37 -6.954 10.302 7.455 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.459 9.402 8.160 1.00 1.56 O ATOM 534 OD2 ASP A 37 -7.068 11.518 7.720 1.00 1.37 O ATOM 0 H ASP A 37 -4.958 8.085 4.936 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.605 8.318 6.160 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.157 9.598 6.502 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.064 10.755 5.548 1.00 0.51 H new ATOM 539 N GLN A 38 -6.778 9.622 3.235 1.00 0.41 N ATOM 540 CA GLN A 38 -7.318 10.132 1.980 1.00 0.46 C ATOM 541 C GLN A 38 -8.148 9.065 1.282 1.00 0.42 C ATOM 542 O GLN A 38 -9.354 9.227 1.088 1.00 0.68 O ATOM 543 CB GLN A 38 -6.186 10.572 1.069 1.00 0.54 C ATOM 544 CG GLN A 38 -6.701 11.476 -0.039 1.00 0.65 C ATOM 545 CD GLN A 38 -7.409 12.691 0.547 1.00 1.05 C ATOM 546 OE1 GLN A 38 -8.606 12.885 0.342 1.00 1.65 O ATOM 547 NE2 GLN A 38 -6.665 13.513 1.279 1.00 1.66 N ATOM 0 H GLN A 38 -5.761 9.553 3.257 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.958 10.986 2.202 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.429 11.098 1.651 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.703 9.697 0.635 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.871 11.800 -0.667 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.388 10.922 -0.679 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -5.675 13.313 1.423 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -7.084 14.344 1.697 1.00 1.66 H new ATOM 556 N TYR A 39 -7.491 7.977 0.902 1.00 0.34 N ATOM 557 CA TYR A 39 -8.154 6.874 0.217 1.00 0.34 C ATOM 558 C TYR A 39 -9.010 6.051 1.180 1.00 0.30 C ATOM 559 O TYR A 39 -9.747 5.163 0.752 1.00 0.32 O ATOM 560 CB TYR A 39 -7.113 5.978 -0.446 1.00 0.39 C ATOM 561 CG TYR A 39 -6.437 6.631 -1.625 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.553 7.679 -1.428 1.00 0.53 C ATOM 563 CD2 TYR A 39 -6.697 6.188 -2.910 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.933 8.279 -2.509 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.076 6.788 -3.992 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.197 7.830 -3.787 1.00 0.66 C ATOM 567 OH TYR A 39 -4.581 8.428 -4.862 1.00 0.77 O ATOM 0 H TYR A 39 -6.493 7.834 1.058 1.00 0.34 H new ATOM 0 HA TYR A 39 -8.813 7.295 -0.542 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.359 5.701 0.290 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -7.592 5.056 -0.774 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.347 8.029 -0.427 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.386 5.372 -3.069 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.244 9.096 -2.353 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.280 6.441 -4.994 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.824 7.953 -5.684 1.00 0.77 H new ATOM 577 N LYS A 40 -8.914 6.340 2.478 1.00 0.28 N ATOM 578 CA LYS A 40 -9.686 5.609 3.476 1.00 0.31 C ATOM 579 C LYS A 40 -9.431 4.112 3.340 1.00 0.29 C ATOM 580 O LYS A 40 -10.364 3.310 3.298 1.00 0.39 O ATOM 581 CB LYS A 40 -11.175 5.907 3.303 1.00 0.38 C ATOM 582 CG LYS A 40 -11.671 6.919 4.333 1.00 0.86 C ATOM 583 CD LYS A 40 -12.899 6.404 5.080 1.00 1.29 C ATOM 584 CE LYS A 40 -13.856 7.536 5.438 1.00 1.88 C ATOM 585 NZ LYS A 40 -13.800 7.856 6.893 1.00 2.56 N ATOM 0 H LYS A 40 -8.313 7.071 2.859 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.375 5.929 4.470 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.355 6.291 2.299 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.745 4.983 3.397 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -10.875 7.134 5.045 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.915 7.857 3.834 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.418 5.669 4.464 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -12.584 5.892 5.989 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -13.604 8.424 4.859 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.873 7.255 5.165 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.462 8.630 7.104 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -14.064 7.014 7.444 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -12.835 8.148 7.147 1.00 2.56 H new ATOM 599 N VAL A 41 -8.156 3.744 3.259 1.00 0.23 N ATOM 600 CA VAL A 41 -7.767 2.346 3.115 1.00 0.23 C ATOM 601 C VAL A 41 -6.714 1.971 4.150 1.00 0.27 C ATOM 602 O VAL A 41 -6.403 2.758 5.042 1.00 0.33 O ATOM 603 CB VAL A 41 -7.224 2.116 1.710 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.334 2.269 0.679 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.081 3.081 1.410 1.00 0.23 C ATOM 0 H VAL A 41 -7.373 4.397 3.291 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.642 1.717 3.276 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.837 1.099 1.654 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.929 2.102 -0.319 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.119 1.540 0.879 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.749 3.275 0.738 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.707 2.900 0.402 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.442 4.107 1.485 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.276 2.926 2.129 1.00 0.23 H new ATOM 615 N SER A 42 -6.169 0.764 4.028 1.00 0.29 N ATOM 616 CA SER A 42 -5.151 0.286 4.955 1.00 0.34 C ATOM 617 C SER A 42 -3.892 -0.121 4.200 1.00 0.30 C ATOM 618 O SER A 42 -3.788 -1.244 3.708 1.00 0.36 O ATOM 619 CB SER A 42 -5.687 -0.900 5.748 1.00 0.43 C ATOM 620 OG SER A 42 -4.928 -1.085 6.935 1.00 0.93 O ATOM 0 H SER A 42 -6.416 0.099 3.295 1.00 0.29 H new ATOM 0 HA SER A 42 -4.899 1.093 5.643 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.734 -0.734 6.000 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.646 -1.802 5.138 1.00 0.43 H new ATOM 0 HG SER A 42 -5.284 -1.849 7.435 1.00 0.93 H new ATOM 626 N VAL A 43 -2.938 0.801 4.111 1.00 0.33 N ATOM 627 CA VAL A 43 -1.684 0.540 3.413 1.00 0.34 C ATOM 628 C VAL A 43 -0.643 -0.017 4.376 1.00 0.35 C ATOM 629 O VAL A 43 -0.293 0.625 5.367 1.00 0.55 O ATOM 630 CB VAL A 43 -1.166 1.827 2.775 1.00 0.49 C ATOM 631 CG1 VAL A 43 0.160 1.577 2.062 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.198 2.402 1.810 1.00 1.25 C ATOM 0 H VAL A 43 -3.010 1.735 4.514 1.00 0.33 H new ATOM 0 HA VAL A 43 -1.867 -0.199 2.633 1.00 0.34 H new ATOM 0 HB VAL A 43 -0.996 2.557 3.566 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.513 2.506 1.614 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.897 1.218 2.780 1.00 0.54 H new ATOM 0 HG13 VAL A 43 0.018 0.829 1.282 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -1.810 3.319 1.366 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.404 1.677 1.023 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.119 2.622 2.351 1.00 1.25 H new ATOM 642 N ARG A 44 -0.153 -1.216 4.080 1.00 0.31 N ATOM 643 CA ARG A 44 0.848 -1.863 4.920 1.00 0.42 C ATOM 644 C ARG A 44 2.138 -2.096 4.144 1.00 0.40 C ATOM 645 O ARG A 44 2.143 -2.772 3.116 1.00 0.41 O ATOM 646 CB ARG A 44 0.313 -3.194 5.436 1.00 0.52 C ATOM 647 CG ARG A 44 -1.073 -3.039 6.053 1.00 0.78 C ATOM 648 CD ARG A 44 -0.992 -2.671 7.532 1.00 1.05 C ATOM 649 NE ARG A 44 -0.968 -3.874 8.355 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.062 -3.815 9.680 1.00 1.74 C ATOM 651 NH1 ARG A 44 -2.068 -3.161 10.246 1.00 2.28 N ATOM 652 NH2 ARG A 44 -0.152 -4.407 10.439 1.00 2.27 N ATOM 0 H ARG A 44 -0.433 -1.760 3.264 1.00 0.31 H new ATOM 0 HA ARG A 44 1.063 -1.206 5.763 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.269 -3.912 4.617 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.000 -3.600 6.179 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.627 -2.269 5.516 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.629 -3.970 5.939 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -0.096 -2.078 7.717 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.846 -2.052 7.806 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.877 -4.784 7.903 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -2.770 -2.703 9.665 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -2.140 -3.116 11.263 1.00 2.28 H new ATOM 0 HH21 ARG A 44 0.623 -4.910 10.007 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -0.227 -4.360 11.455 1.00 2.27 H new ATOM 666 N ILE A 45 3.233 -1.537 4.648 1.00 0.46 N ATOM 667 CA ILE A 45 4.537 -1.686 4.012 1.00 0.47 C ATOM 668 C ILE A 45 5.376 -2.705 4.789 1.00 0.53 C ATOM 669 O ILE A 45 5.975 -2.376 5.813 1.00 0.64 O ATOM 670 CB ILE A 45 5.238 -0.318 3.948 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.633 0.538 2.834 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.750 -0.452 3.745 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.032 0.030 1.446 1.00 0.56 C ATOM 0 H ILE A 45 3.243 -0.974 5.499 1.00 0.46 H new ATOM 0 HA ILE A 45 4.414 -2.054 2.994 1.00 0.47 H new ATOM 0 HB ILE A 45 5.078 0.171 4.909 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.547 0.536 2.923 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.960 1.571 2.951 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.201 0.539 3.706 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.180 -1.014 4.574 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.946 -0.977 2.810 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.582 0.665 0.683 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.117 0.057 1.347 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.681 -0.994 1.319 1.00 0.56 H new ATOM 685 N PRO A 46 5.432 -3.960 4.307 1.00 0.48 N ATOM 686 CA PRO A 46 6.206 -5.018 4.964 1.00 0.58 C ATOM 687 C PRO A 46 7.706 -4.872 4.708 1.00 0.61 C ATOM 688 O PRO A 46 8.171 -5.066 3.585 1.00 0.56 O ATOM 689 CB PRO A 46 5.658 -6.301 4.344 1.00 0.57 C ATOM 690 CG PRO A 46 5.113 -5.900 3.012 1.00 0.47 C ATOM 691 CD PRO A 46 4.752 -4.439 3.091 1.00 0.41 C ATOM 0 HA PRO A 46 6.106 -4.993 6.049 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.442 -7.051 4.238 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.881 -6.739 4.970 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.851 -6.071 2.229 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.237 -6.498 2.760 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.090 -3.898 2.207 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.673 -4.299 3.158 1.00 0.41 H new ATOM 699 N PRO A 47 8.486 -4.525 5.748 1.00 0.74 N ATOM 700 CA PRO A 47 9.938 -4.355 5.618 1.00 0.81 C ATOM 701 C PRO A 47 10.658 -5.688 5.447 1.00 0.87 C ATOM 702 O PRO A 47 11.766 -5.742 4.914 1.00 1.53 O ATOM 703 CB PRO A 47 10.341 -3.669 6.921 1.00 0.98 C ATOM 704 CG PRO A 47 9.285 -4.046 7.904 1.00 1.03 C ATOM 705 CD PRO A 47 8.017 -4.273 7.123 1.00 0.85 C ATOM 0 HA PRO A 47 10.208 -3.778 4.733 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.325 -4.001 7.253 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.395 -2.587 6.796 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.569 -4.947 8.449 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.147 -3.257 8.643 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.453 -5.120 7.514 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.360 -3.405 7.168 1.00 0.85 H new ATOM 713 N ASP A 48 10.020 -6.761 5.901 1.00 1.32 N ATOM 714 CA ASP A 48 10.597 -8.097 5.800 1.00 1.46 C ATOM 715 C ASP A 48 10.692 -8.527 4.342 1.00 1.48 C ATOM 716 O ASP A 48 9.861 -9.294 3.855 1.00 2.18 O ATOM 717 CB ASP A 48 9.743 -9.095 6.579 1.00 2.16 C ATOM 718 CG ASP A 48 8.379 -8.493 6.890 1.00 2.56 C ATOM 719 OD1 ASP A 48 7.704 -8.027 5.949 1.00 3.01 O ATOM 720 OD2 ASP A 48 7.987 -8.491 8.076 1.00 3.03 O ATOM 0 H ASP A 48 9.101 -6.732 6.343 1.00 1.32 H new ATOM 0 HA ASP A 48 11.600 -8.075 6.225 1.00 1.46 H new ATOM 0 HB2 ASP A 48 9.621 -10.010 5.999 1.00 2.16 H new ATOM 0 HB3 ASP A 48 10.247 -9.370 7.506 1.00 2.16 H new ATOM 725 N SER A 49 11.710 -8.029 3.647 1.00 1.59 N ATOM 726 CA SER A 49 11.915 -8.362 2.242 1.00 2.11 C ATOM 727 C SER A 49 13.387 -8.647 1.971 1.00 1.90 C ATOM 728 O SER A 49 14.261 -7.874 2.362 1.00 2.33 O ATOM 729 CB SER A 49 11.437 -7.213 1.358 1.00 3.03 C ATOM 730 OG SER A 49 11.635 -7.523 -0.012 1.00 3.81 O ATOM 0 H SER A 49 12.406 -7.393 4.035 1.00 1.59 H new ATOM 0 HA SER A 49 11.338 -9.257 2.009 1.00 2.11 H new ATOM 0 HB2 SER A 49 10.381 -7.019 1.544 1.00 3.03 H new ATOM 0 HB3 SER A 49 11.978 -6.302 1.612 1.00 3.03 H new ATOM 0 HG SER A 49 10.878 -8.052 -0.340 1.00 3.81 H new ATOM 736 N GLU A 50 13.655 -9.764 1.301 1.00 1.92 N ATOM 737 CA GLU A 50 15.021 -10.155 0.977 1.00 2.27 C ATOM 738 C GLU A 50 15.362 -9.771 -0.458 1.00 2.09 C ATOM 739 O GLU A 50 16.289 -8.997 -0.701 1.00 2.74 O ATOM 740 CB GLU A 50 15.190 -11.660 1.162 1.00 3.06 C ATOM 741 CG GLU A 50 15.077 -12.064 2.628 1.00 3.83 C ATOM 742 CD GLU A 50 13.948 -11.297 3.303 1.00 4.43 C ATOM 743 OE1 GLU A 50 14.201 -10.180 3.800 1.00 4.97 O ATOM 744 OE2 GLU A 50 12.811 -11.814 3.330 1.00 4.75 O ATOM 0 H GLU A 50 12.942 -10.415 0.972 1.00 1.92 H new ATOM 0 HA GLU A 50 15.699 -9.630 1.650 1.00 2.27 H new ATOM 0 HB2 GLU A 50 14.433 -12.186 0.580 1.00 3.06 H new ATOM 0 HB3 GLU A 50 16.161 -11.968 0.773 1.00 3.06 H new ATOM 0 HG2 GLU A 50 14.893 -13.136 2.704 1.00 3.83 H new ATOM 0 HG3 GLU A 50 16.018 -11.865 3.141 1.00 3.83 H new ATOM 751 N LYS A 51 14.609 -10.319 -1.406 1.00 1.76 N ATOM 752 CA LYS A 51 14.830 -10.038 -2.820 1.00 1.77 C ATOM 753 C LYS A 51 13.598 -9.391 -3.439 1.00 1.55 C ATOM 754 O LYS A 51 13.695 -8.362 -4.106 1.00 2.20 O ATOM 755 CB LYS A 51 15.165 -11.330 -3.560 1.00 2.14 C ATOM 756 CG LYS A 51 15.902 -11.053 -4.868 1.00 2.60 C ATOM 757 CD LYS A 51 15.436 -11.986 -5.981 1.00 3.36 C ATOM 758 CE LYS A 51 15.846 -11.467 -7.358 1.00 4.12 C ATOM 759 NZ LYS A 51 15.453 -12.419 -8.434 1.00 4.81 N ATOM 0 H LYS A 51 13.839 -10.961 -1.220 1.00 1.76 H new ATOM 0 HA LYS A 51 15.666 -9.344 -2.908 1.00 1.77 H new ATOM 0 HB2 LYS A 51 15.780 -11.966 -2.923 1.00 2.14 H new ATOM 0 HB3 LYS A 51 14.247 -11.879 -3.768 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.738 -10.018 -5.167 1.00 2.60 H new ATOM 0 HG3 LYS A 51 16.974 -11.174 -4.715 1.00 2.60 H new ATOM 0 HD2 LYS A 51 15.858 -12.979 -5.825 1.00 3.36 H new ATOM 0 HD3 LYS A 51 14.352 -12.091 -5.939 1.00 3.36 H new ATOM 0 HE2 LYS A 51 15.379 -10.499 -7.538 1.00 4.12 H new ATOM 0 HE3 LYS A 51 16.924 -11.311 -7.384 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 15.745 -12.039 -9.357 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 15.918 -13.335 -8.274 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 14.421 -12.548 -8.423 1.00 4.81 H new ATOM 773 N SER A 52 12.438 -10.003 -3.218 1.00 1.19 N ATOM 774 CA SER A 52 11.185 -9.488 -3.759 1.00 1.04 C ATOM 775 C SER A 52 10.373 -8.797 -2.670 1.00 0.92 C ATOM 776 O SER A 52 10.429 -9.178 -1.502 1.00 1.19 O ATOM 777 CB SER A 52 10.372 -10.625 -4.367 1.00 1.25 C ATOM 778 OG SER A 52 9.962 -11.539 -3.361 1.00 2.03 O ATOM 0 H SER A 52 12.340 -10.856 -2.668 1.00 1.19 H new ATOM 0 HA SER A 52 11.419 -8.759 -4.535 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.498 -10.222 -4.878 1.00 1.25 H new ATOM 0 HB3 SER A 52 10.968 -11.145 -5.117 1.00 1.25 H new ATOM 0 HG SER A 52 9.440 -12.261 -3.768 1.00 2.03 H new ATOM 784 N ASN A 53 9.615 -7.779 -3.064 1.00 0.68 N ATOM 785 CA ASN A 53 8.785 -7.031 -2.126 1.00 0.61 C ATOM 786 C ASN A 53 7.310 -7.202 -2.465 1.00 0.59 C ATOM 787 O ASN A 53 6.949 -7.409 -3.624 1.00 0.99 O ATOM 788 CB ASN A 53 9.159 -5.553 -2.162 1.00 0.60 C ATOM 789 CG ASN A 53 9.805 -5.139 -0.847 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.368 -5.549 0.228 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.850 -4.324 -0.932 1.00 1.28 N ATOM 0 H ASN A 53 9.558 -7.452 -4.029 1.00 0.68 H new ATOM 0 HA ASN A 53 8.959 -7.419 -1.123 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.846 -5.365 -2.987 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.269 -4.950 -2.344 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.324 -4.013 -0.084 1.00 1.28 H new ATOM 0 HD22 ASN A 53 11.178 -4.009 -1.845 1.00 1.28 H new ATOM 798 N LEU A 54 6.460 -7.115 -1.447 1.00 0.55 N ATOM 799 CA LEU A 54 5.020 -7.261 -1.635 1.00 0.51 C ATOM 800 C LEU A 54 4.259 -6.425 -0.614 1.00 0.44 C ATOM 801 O LEU A 54 4.164 -6.796 0.556 1.00 0.57 O ATOM 802 CB LEU A 54 4.623 -8.732 -1.495 1.00 0.65 C ATOM 803 CG LEU A 54 3.947 -9.272 -2.756 1.00 0.82 C ATOM 804 CD1 LEU A 54 3.383 -10.668 -2.505 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.846 -8.332 -3.237 1.00 1.49 C ATOM 0 H LEU A 54 6.743 -6.944 -0.482 1.00 0.55 H new ATOM 0 HA LEU A 54 4.765 -6.910 -2.635 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.510 -9.327 -1.278 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.948 -8.845 -0.647 1.00 0.65 H new ATOM 0 HG LEU A 54 4.702 -9.336 -3.540 1.00 0.82 H new ATOM 0 HD11 LEU A 54 2.906 -11.036 -3.413 1.00 1.49 H new ATOM 0 HD12 LEU A 54 4.192 -11.342 -2.221 1.00 1.49 H new ATOM 0 HD13 LEU A 54 2.648 -10.624 -1.701 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.384 -8.742 -4.135 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.092 -8.225 -2.457 1.00 1.49 H new ATOM 0 HD23 LEU A 54 3.274 -7.356 -3.463 1.00 1.49 H new ATOM 817 N ILE A 55 3.712 -5.297 -1.059 1.00 0.31 N ATOM 818 CA ILE A 55 2.953 -4.420 -0.174 1.00 0.26 C ATOM 819 C ILE A 55 1.516 -4.911 -0.055 1.00 0.27 C ATOM 820 O ILE A 55 0.947 -5.427 -1.017 1.00 0.34 O ATOM 821 CB ILE A 55 2.971 -2.988 -0.701 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.401 -2.544 -1.001 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.312 -2.040 0.297 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.457 -1.088 -1.460 1.00 0.35 C ATOM 0 H ILE A 55 3.780 -4.970 -2.023 1.00 0.31 H new ATOM 0 HA ILE A 55 3.417 -4.437 0.812 1.00 0.26 H new ATOM 0 HB ILE A 55 2.401 -2.957 -1.630 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.015 -2.668 -0.109 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.827 -3.185 -1.773 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.335 -1.024 -0.097 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.278 -2.343 0.459 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.852 -2.075 1.243 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.491 -0.810 -1.663 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.864 -0.969 -2.367 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.056 -0.444 -0.677 1.00 0.35 H new ATOM 836 N ARG A 56 0.935 -4.756 1.130 1.00 0.29 N ATOM 837 CA ARG A 56 -0.434 -5.195 1.369 1.00 0.32 C ATOM 838 C ARG A 56 -1.381 -4.006 1.443 1.00 0.29 C ATOM 839 O ARG A 56 -1.215 -3.113 2.274 1.00 0.42 O ATOM 840 CB ARG A 56 -0.504 -5.997 2.664 1.00 0.42 C ATOM 841 CG ARG A 56 0.188 -7.348 2.517 1.00 0.55 C ATOM 842 CD ARG A 56 1.251 -7.554 3.590 1.00 0.84 C ATOM 843 NE ARG A 56 0.627 -7.697 4.899 1.00 1.44 N ATOM 844 CZ ARG A 56 0.608 -8.861 5.539 1.00 1.77 C ATOM 845 NH1 ARG A 56 1.728 -9.555 5.690 1.00 2.19 N ATOM 846 NH2 ARG A 56 -0.531 -9.334 6.027 1.00 2.33 N ATOM 0 H ARG A 56 1.390 -4.331 1.938 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.742 -5.827 0.536 1.00 0.32 H new ATOM 0 HB2 ARG A 56 -0.036 -5.432 3.470 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.546 -6.148 2.945 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.552 -8.145 2.580 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.647 -7.417 1.531 1.00 0.55 H new ATOM 0 HD2 ARG A 56 1.841 -8.442 3.362 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.938 -6.708 3.598 1.00 0.84 H new ATOM 0 HE ARG A 56 0.194 -6.883 5.335 1.00 1.44 H new ATOM 0 HH11 ARG A 56 2.605 -9.195 5.315 1.00 2.19 H new ATOM 0 HH12 ARG A 56 1.712 -10.449 6.182 1.00 2.19 H new ATOM 0 HH21 ARG A 56 -1.395 -8.804 5.911 1.00 2.33 H new ATOM 0 HH22 ARG A 56 -0.543 -10.228 6.518 1.00 2.33 H new ATOM 860 N ILE A 57 -2.380 -4.007 0.568 1.00 0.24 N ATOM 861 CA ILE A 57 -3.369 -2.936 0.525 1.00 0.24 C ATOM 862 C ILE A 57 -4.772 -3.514 0.654 1.00 0.26 C ATOM 863 O ILE A 57 -5.198 -4.323 -0.169 1.00 0.40 O ATOM 864 CB ILE A 57 -3.241 -2.160 -0.782 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.784 -1.781 -1.038 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.125 -0.917 -0.763 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.266 -0.799 0.009 1.00 1.32 C ATOM 0 H ILE A 57 -2.527 -4.741 -0.125 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.190 -2.257 1.359 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.578 -2.803 -1.595 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.167 -2.680 -1.031 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.692 -1.338 -2.030 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.017 -0.380 -1.705 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.166 -1.213 -0.631 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.824 -0.269 0.061 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.226 -0.553 -0.206 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.867 0.110 -0.016 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.334 -1.252 0.998 1.00 1.32 H new ATOM 879 N GLU A 58 -5.485 -3.103 1.698 1.00 0.23 N ATOM 880 CA GLU A 58 -6.838 -3.590 1.937 1.00 0.25 C ATOM 881 C GLU A 58 -7.732 -2.465 2.437 1.00 0.24 C ATOM 882 O GLU A 58 -7.313 -1.626 3.235 1.00 0.26 O ATOM 883 CB GLU A 58 -6.801 -4.733 2.952 1.00 0.32 C ATOM 884 CG GLU A 58 -8.200 -5.227 3.319 1.00 0.37 C ATOM 885 CD GLU A 58 -8.242 -5.646 4.783 1.00 0.82 C ATOM 886 OE1 GLU A 58 -8.234 -4.754 5.658 1.00 1.56 O ATOM 887 OE2 GLU A 58 -8.282 -6.864 5.052 1.00 1.47 O ATOM 0 H GLU A 58 -5.148 -2.435 2.391 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.251 -3.959 0.998 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.221 -5.561 2.543 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.288 -4.399 3.854 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.931 -4.439 3.137 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.475 -6.069 2.684 1.00 0.37 H new ATOM 894 N GLY A 59 -8.966 -2.459 1.952 1.00 0.25 N ATOM 895 CA GLY A 59 -9.944 -1.448 2.325 1.00 0.27 C ATOM 896 C GLY A 59 -11.348 -1.998 2.144 1.00 0.39 C ATOM 897 O GLY A 59 -11.707 -3.014 2.740 1.00 0.59 O ATOM 0 H GLY A 59 -9.316 -3.153 1.291 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.792 -1.147 3.362 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.811 -0.557 1.712 1.00 0.27 H new ATOM 901 N ASP A 60 -12.139 -1.340 1.305 1.00 0.53 N ATOM 902 CA ASP A 60 -13.497 -1.795 1.046 1.00 0.70 C ATOM 903 C ASP A 60 -14.056 -1.163 -0.224 1.00 0.59 C ATOM 904 O ASP A 60 -14.308 -1.857 -1.208 1.00 1.04 O ATOM 905 CB ASP A 60 -14.397 -1.477 2.235 1.00 1.22 C ATOM 906 CG ASP A 60 -14.816 -2.760 2.940 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.803 -3.387 2.500 1.00 2.31 O ATOM 908 OD2 ASP A 60 -14.157 -3.137 3.932 1.00 2.66 O ATOM 0 H ASP A 60 -11.866 -0.498 0.798 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.469 -2.875 0.902 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.872 -0.826 2.933 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.280 -0.935 1.896 1.00 1.22 H new ATOM 913 N PRO A 61 -14.259 0.164 -0.224 1.00 0.72 N ATOM 914 CA PRO A 61 -14.793 0.866 -1.395 1.00 1.14 C ATOM 915 C PRO A 61 -13.762 0.962 -2.511 1.00 0.88 C ATOM 916 O PRO A 61 -12.730 0.293 -2.472 1.00 1.22 O ATOM 917 CB PRO A 61 -15.152 2.245 -0.852 1.00 1.82 C ATOM 918 CG PRO A 61 -14.267 2.442 0.331 1.00 1.82 C ATOM 919 CD PRO A 61 -13.985 1.078 0.900 1.00 1.17 C ATOM 0 HA PRO A 61 -15.644 0.350 -1.840 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.986 3.019 -1.601 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.204 2.296 -0.570 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.341 2.938 0.042 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.751 3.077 1.073 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.954 0.993 1.242 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.624 0.862 1.756 1.00 1.17 H new ATOM 927 N GLN A 62 -14.041 1.803 -3.499 1.00 0.64 N ATOM 928 CA GLN A 62 -13.128 1.991 -4.619 1.00 0.47 C ATOM 929 C GLN A 62 -11.775 2.509 -4.130 1.00 0.41 C ATOM 930 O GLN A 62 -10.778 2.438 -4.848 1.00 0.47 O ATOM 931 CB GLN A 62 -13.729 2.974 -5.620 1.00 0.69 C ATOM 932 CG GLN A 62 -14.681 2.277 -6.587 1.00 0.85 C ATOM 933 CD GLN A 62 -15.232 3.272 -7.601 1.00 1.34 C ATOM 934 OE1 GLN A 62 -14.834 4.437 -7.623 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.148 2.810 -8.444 1.00 1.73 N ATOM 0 H GLN A 62 -14.891 2.365 -3.547 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.975 1.028 -5.107 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.263 3.759 -5.085 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.929 3.458 -6.181 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.159 1.472 -7.105 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.501 1.820 -6.034 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.447 1.837 -8.388 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.552 3.429 -9.147 1.00 1.73 H new ATOM 944 N GLY A 63 -11.748 3.038 -2.906 1.00 0.37 N ATOM 945 CA GLY A 63 -10.526 3.577 -2.322 1.00 0.34 C ATOM 946 C GLY A 63 -9.395 2.554 -2.310 1.00 0.27 C ATOM 947 O GLY A 63 -8.261 2.879 -2.662 1.00 0.29 O ATOM 0 H GLY A 63 -12.565 3.103 -2.299 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.213 4.456 -2.885 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.727 3.906 -1.303 1.00 0.34 H new ATOM 951 N VAL A 64 -9.690 1.326 -1.888 1.00 0.24 N ATOM 952 CA VAL A 64 -8.664 0.289 -1.824 1.00 0.21 C ATOM 953 C VAL A 64 -8.113 -0.032 -3.211 1.00 0.24 C ATOM 954 O VAL A 64 -6.900 -0.115 -3.401 1.00 0.28 O ATOM 955 CB VAL A 64 -9.202 -0.977 -1.139 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.036 -1.843 -2.081 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.039 -1.783 -0.572 1.00 0.26 C ATOM 0 H VAL A 64 -10.618 1.028 -1.589 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.841 0.674 -1.222 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.864 -0.660 -0.333 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.391 -2.724 -1.546 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.889 -1.269 -2.443 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.423 -2.154 -2.927 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.421 -2.681 -0.086 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.365 -2.067 -1.380 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.498 -1.179 0.156 1.00 0.26 H new ATOM 967 N GLN A 65 -9.006 -0.218 -4.178 1.00 0.25 N ATOM 968 CA GLN A 65 -8.594 -0.534 -5.542 1.00 0.30 C ATOM 969 C GLN A 65 -7.886 0.655 -6.177 1.00 0.30 C ATOM 970 O GLN A 65 -6.948 0.488 -6.955 1.00 0.34 O ATOM 971 CB GLN A 65 -9.807 -0.927 -6.380 1.00 0.37 C ATOM 972 CG GLN A 65 -10.861 0.175 -6.395 1.00 0.42 C ATOM 973 CD GLN A 65 -12.051 -0.242 -7.247 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.301 0.500 -8.320 1.00 1.56 O flip ATOM 975 NE2 GLN A 65 -12.735 -1.220 -6.943 1.00 0.82 N flip ATOM 0 H GLN A 65 -10.015 -0.156 -4.044 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.899 -1.373 -5.506 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.490 -1.142 -7.401 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.243 -1.843 -5.982 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.190 0.386 -5.378 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.429 1.095 -6.788 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.507 -1.762 -6.110 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -13.529 -1.488 -7.525 1.00 0.82 H new ATOM 984 N GLN A 66 -8.339 1.858 -5.838 1.00 0.29 N ATOM 985 CA GLN A 66 -7.743 3.075 -6.375 1.00 0.31 C ATOM 986 C GLN A 66 -6.344 3.276 -5.808 1.00 0.29 C ATOM 987 O GLN A 66 -5.381 3.446 -6.554 1.00 0.36 O ATOM 988 CB GLN A 66 -8.618 4.279 -6.042 1.00 0.35 C ATOM 989 CG GLN A 66 -9.405 4.754 -7.259 1.00 0.79 C ATOM 990 CD GLN A 66 -10.062 6.097 -6.971 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.778 7.094 -7.636 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.943 6.124 -5.979 1.00 1.31 N ATOM 0 H GLN A 66 -9.115 2.015 -5.195 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.671 2.977 -7.458 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.309 4.017 -5.241 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -7.994 5.092 -5.672 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -8.740 4.843 -8.118 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.165 4.018 -7.519 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.147 5.273 -5.455 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.416 6.996 -5.741 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.240 3.252 -4.483 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.957 3.427 -3.813 1.00 0.27 C ATOM 1003 C ALA A 67 -3.993 2.320 -4.217 1.00 0.26 C ATOM 1004 O ALA A 67 -2.790 2.548 -4.347 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.149 3.421 -2.300 1.00 0.29 C ATOM 0 H ALA A 67 -7.029 3.113 -3.852 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.537 4.387 -4.114 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.184 3.552 -1.810 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.815 4.235 -2.014 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.586 2.471 -1.992 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.529 1.121 -4.418 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.716 -0.022 -4.813 1.00 0.28 C ATOM 1013 C LYS A 68 -2.992 0.274 -6.119 1.00 0.31 C ATOM 1014 O LYS A 68 -1.762 0.327 -6.163 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.594 -1.259 -4.974 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.781 -2.467 -5.419 1.00 0.37 C ATOM 1017 CD LYS A 68 -3.962 -2.750 -6.908 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.478 -4.149 -7.275 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.100 -4.622 -8.543 1.00 0.88 N ATOM 0 H LYS A 68 -5.523 0.916 -4.314 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.977 -0.211 -4.035 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.089 -1.481 -4.028 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.378 -1.058 -5.704 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.726 -2.294 -5.207 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -4.083 -3.342 -4.843 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.014 -2.647 -7.174 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -3.412 -2.010 -7.489 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.393 -4.145 -7.379 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.718 -4.842 -6.469 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.751 -5.576 -8.766 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.134 -4.648 -8.434 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.850 -3.973 -9.316 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.766 0.474 -7.181 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.203 0.775 -8.490 1.00 0.43 C ATOM 1035 C ARG A 69 -2.377 2.052 -8.426 1.00 0.42 C ATOM 1036 O ARG A 69 -1.410 2.217 -9.170 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.322 0.927 -9.516 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.280 -0.183 -10.562 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.386 -0.017 -11.600 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.911 -0.422 -12.917 1.00 1.81 N ATOM 1041 CZ ARG A 69 -4.426 0.458 -13.787 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -5.237 1.065 -14.642 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -3.128 0.732 -13.803 1.00 2.98 N ATOM 0 H ARG A 69 -4.785 0.433 -7.159 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.554 -0.047 -8.792 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.286 0.913 -9.008 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.235 1.895 -10.009 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.310 -0.179 -11.059 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -4.383 -1.151 -10.071 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -6.251 -0.617 -11.318 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.714 1.022 -11.628 1.00 1.36 H new ATOM 0 HE ARG A 69 -4.952 -1.407 -13.178 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -6.236 0.857 -14.633 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -4.862 1.740 -15.309 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -2.500 0.267 -13.147 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -2.758 1.408 -14.471 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.764 2.952 -7.528 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.062 4.218 -7.357 1.00 0.43 C ATOM 1059 C GLU A 70 -0.637 3.972 -6.876 1.00 0.44 C ATOM 1060 O GLU A 70 0.309 4.588 -7.366 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.805 5.094 -6.352 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.190 6.487 -6.255 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.776 7.401 -7.324 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -2.946 6.939 -8.472 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -3.061 8.575 -7.012 1.00 1.38 O ATOM 0 H GLU A 70 -3.563 2.827 -6.906 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.025 4.730 -8.319 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.851 5.178 -6.646 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.786 4.619 -5.371 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.377 6.906 -5.266 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.108 6.423 -6.375 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.493 3.063 -5.916 1.00 0.40 N ATOM 1073 CA LEU A 71 0.818 2.728 -5.370 1.00 0.47 C ATOM 1074 C LEU A 71 1.710 2.144 -6.457 1.00 0.52 C ATOM 1075 O LEU A 71 2.858 2.554 -6.620 1.00 0.60 O ATOM 1076 CB LEU A 71 0.669 1.726 -4.230 1.00 0.51 C ATOM 1077 CG LEU A 71 0.464 2.423 -2.887 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.695 1.787 -2.123 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.744 2.385 -2.057 1.00 1.15 C ATOM 0 H LEU A 71 -1.268 2.546 -5.500 1.00 0.40 H new ATOM 0 HA LEU A 71 1.279 3.639 -4.988 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.177 1.069 -4.432 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.557 1.096 -4.181 1.00 0.51 H new ATOM 0 HG LEU A 71 0.215 3.467 -3.078 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.825 2.297 -1.169 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.609 1.875 -2.710 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.479 0.734 -1.945 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.575 2.887 -1.104 1.00 1.15 H new ATOM 0 HD22 LEU A 71 2.029 1.349 -1.875 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.543 2.892 -2.598 1.00 1.15 H new ATOM 1091 N LEU A 72 1.170 1.183 -7.199 1.00 0.52 N ATOM 1092 CA LEU A 72 1.912 0.536 -8.275 1.00 0.63 C ATOM 1093 C LEU A 72 2.391 1.563 -9.296 1.00 0.67 C ATOM 1094 O LEU A 72 3.349 1.318 -10.030 1.00 0.83 O ATOM 1095 CB LEU A 72 1.032 -0.504 -8.962 1.00 0.66 C ATOM 1096 CG LEU A 72 1.862 -1.640 -9.552 1.00 0.88 C ATOM 1097 CD1 LEU A 72 1.674 -2.921 -8.743 1.00 1.04 C ATOM 1098 CD2 LEU A 72 1.502 -1.869 -11.017 1.00 1.99 C ATOM 0 H LEU A 72 0.219 0.834 -7.075 1.00 0.52 H new ATOM 0 HA LEU A 72 2.784 0.044 -7.844 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.318 -0.909 -8.244 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.453 -0.027 -9.753 1.00 0.66 H new ATOM 0 HG LEU A 72 2.913 -1.355 -9.501 1.00 0.88 H new ATOM 0 HD11 LEU A 72 2.274 -3.719 -9.180 1.00 1.04 H new ATOM 0 HD12 LEU A 72 1.990 -2.751 -7.714 1.00 1.04 H new ATOM 0 HD13 LEU A 72 0.623 -3.209 -8.757 1.00 1.04 H new ATOM 0 HD21 LEU A 72 2.106 -2.683 -11.417 1.00 1.99 H new ATOM 0 HD22 LEU A 72 0.446 -2.128 -11.096 1.00 1.99 H new ATOM 0 HD23 LEU A 72 1.696 -0.960 -11.586 1.00 1.99 H new ATOM 1110 N GLU A 73 1.720 2.710 -9.344 1.00 0.64 N ATOM 1111 CA GLU A 73 2.080 3.769 -10.281 1.00 0.74 C ATOM 1112 C GLU A 73 2.904 4.847 -9.587 1.00 0.71 C ATOM 1113 O GLU A 73 4.131 4.869 -9.691 1.00 0.88 O ATOM 1114 CB GLU A 73 0.818 4.386 -10.875 1.00 0.82 C ATOM 1115 CG GLU A 73 0.176 3.469 -11.911 1.00 1.00 C ATOM 1116 CD GLU A 73 0.943 3.535 -13.226 1.00 1.41 C ATOM 1117 OE1 GLU A 73 1.248 4.656 -13.682 1.00 2.01 O ATOM 1118 OE2 GLU A 73 1.237 2.463 -13.797 1.00 2.05 O ATOM 0 H GLU A 73 0.924 2.930 -8.745 1.00 0.64 H new ATOM 0 HA GLU A 73 2.681 3.334 -11.079 1.00 0.74 H new ATOM 0 HB2 GLU A 73 0.103 4.591 -10.078 1.00 0.82 H new ATOM 0 HB3 GLU A 73 1.063 5.342 -11.337 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.164 2.444 -11.541 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.861 3.762 -12.072 1.00 1.00 H new ATOM 1125 N LEU A 74 2.222 5.744 -8.882 1.00 0.64 N ATOM 1126 CA LEU A 74 2.886 6.831 -8.173 1.00 0.71 C ATOM 1127 C LEU A 74 3.771 6.287 -7.058 1.00 0.82 C ATOM 1128 O LEU A 74 4.863 6.801 -6.814 1.00 1.13 O ATOM 1129 CB LEU A 74 1.845 7.783 -7.590 1.00 0.85 C ATOM 1130 CG LEU A 74 0.878 8.281 -8.661 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.225 9.130 -8.037 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.621 9.066 -9.738 1.00 1.32 C ATOM 0 H LEU A 74 1.206 5.739 -8.787 1.00 0.64 H new ATOM 0 HA LEU A 74 3.514 7.372 -8.881 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.287 7.276 -6.803 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.347 8.633 -7.128 1.00 0.85 H new ATOM 0 HG LEU A 74 0.415 7.414 -9.132 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.904 9.475 -8.817 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.779 8.532 -7.313 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.218 9.990 -7.535 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.912 9.411 -10.491 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.117 9.925 -9.285 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.365 8.424 -10.208 1.00 1.32 H new ATOM 1144 N ALA A 75 3.295 5.246 -6.384 1.00 0.78 N ATOM 1145 CA ALA A 75 4.044 4.633 -5.293 1.00 0.99 C ATOM 1146 C ALA A 75 4.330 5.655 -4.201 1.00 1.70 C ATOM 1147 O ALA A 75 5.333 5.558 -3.493 1.00 2.16 O ATOM 1148 CB ALA A 75 5.357 4.057 -5.819 1.00 1.14 C ATOM 0 H ALA A 75 2.393 4.809 -6.574 1.00 0.78 H new ATOM 0 HA ALA A 75 3.442 3.828 -4.870 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.910 3.601 -4.997 1.00 1.14 H new ATOM 0 HB2 ALA A 75 5.146 3.302 -6.577 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.954 4.856 -6.259 1.00 1.14 H new ATOM 1154 N SER A 76 3.443 6.637 -4.069 1.00 2.17 N ATOM 1155 CA SER A 76 3.598 7.681 -3.062 1.00 3.01 C ATOM 1156 C SER A 76 2.624 7.465 -1.912 1.00 3.57 C ATOM 1157 O SER A 76 2.283 8.452 -1.227 1.00 4.23 O ATOM 1158 CB SER A 76 3.360 9.049 -3.690 1.00 3.63 C ATOM 1159 OG SER A 76 1.968 9.327 -3.759 1.00 4.36 O ATOM 1160 OXT SER A 76 2.204 6.309 -1.695 1.00 3.89 O ATOM 0 H SER A 76 2.608 6.731 -4.648 1.00 2.17 H new ATOM 0 HA SER A 76 4.614 7.636 -2.671 1.00 3.01 H new ATOM 0 HB2 SER A 76 3.862 9.818 -3.103 1.00 3.63 H new ATOM 0 HB3 SER A 76 3.793 9.078 -4.690 1.00 3.63 H new ATOM 0 HG SER A 76 1.614 9.451 -2.854 1.00 4.36 H new TER 1166 SER A 76