USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 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 NoAdj-H: A 51 LYS H : A 51 LYS N : A 50 GLU OE1 :(H bumps) USER MOD Set 1.1: A 49 SER OG : rot 167:sc= 0.67 USER MOD Set 1.2: A 53 ASN : amide:sc= -1.83 K(o=-1.2,f=-6.3!) USER MOD Set 2.1: A 15 ASN : amide:sc= 0.245 X(o=0.85,f=0.67) USER MOD Set 2.2: A 52 SER OG : rot -127:sc= 0.605 USER MOD Single : A 7 ASN : amide:sc= -0.255 K(o=-0.26,f=-2.6!) 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 18 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -8.67! C(o=-8.7!,f=-11!) USER MOD Single : A 23 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.52) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -50:sc= 0.223 USER MOD Single : A 31 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.5) USER MOD Single : A 33 ASN : amide:sc=-0.00634 X(o=-0.0063,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.3 K(o=-1.3,f=-3!) USER MOD Single : A 39 TYR OH : rot -152:sc= 0.0024 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 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0873) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -23.096 -5.076 5.877 1.00 6.51 N ATOM 2 CA ILE A 6 -22.595 -4.862 4.525 1.00 5.95 C ATOM 3 C ILE A 6 -21.189 -4.278 4.562 1.00 5.14 C ATOM 4 O ILE A 6 -21.012 -3.063 4.654 1.00 5.46 O ATOM 5 CB ILE A 6 -23.526 -3.922 3.766 1.00 6.67 C ATOM 6 CG1 ILE A 6 -23.012 -3.689 2.348 1.00 7.44 C ATOM 7 CG2 ILE A 6 -23.682 -2.597 4.504 1.00 6.84 C ATOM 8 CD1 ILE A 6 -24.044 -2.966 1.488 1.00 8.10 C ATOM 0 HA ILE A 6 -22.560 -5.824 4.013 1.00 5.95 H new ATOM 0 HB ILE A 6 -24.507 -4.393 3.705 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -22.094 -3.103 2.385 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -22.761 -4.646 1.889 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -24.350 -1.944 3.943 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -24.100 -2.779 5.494 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -22.707 -2.119 4.604 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -23.643 -2.818 0.486 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -24.953 -3.565 1.430 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -24.275 -1.998 1.933 1.00 8.10 H new ATOM 20 N ASN A 7 -20.190 -5.152 4.492 1.00 4.48 N ATOM 21 CA ASN A 7 -18.796 -4.726 4.518 1.00 4.06 C ATOM 22 C ASN A 7 -17.994 -5.449 3.444 1.00 3.11 C ATOM 23 O ASN A 7 -17.751 -4.904 2.366 1.00 3.46 O ATOM 24 CB ASN A 7 -18.193 -5.007 5.891 1.00 4.82 C ATOM 25 CG ASN A 7 -18.414 -3.820 6.819 1.00 5.60 C ATOM 26 OD1 ASN A 7 -18.680 -2.707 6.367 1.00 5.87 O ATOM 27 ND2 ASN A 7 -18.305 -4.058 8.121 1.00 6.34 N ATOM 0 H ASN A 7 -20.321 -6.161 4.417 1.00 4.48 H new ATOM 0 HA ASN A 7 -18.757 -3.655 4.319 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -18.647 -5.901 6.319 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -17.126 -5.207 5.793 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -18.444 -3.302 8.791 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -18.083 -4.997 8.451 1.00 6.34 H new ATOM 34 N ARG A 8 -17.587 -6.678 3.742 1.00 2.49 N ATOM 35 CA ARG A 8 -16.811 -7.477 2.800 1.00 2.11 C ATOM 36 C ARG A 8 -15.473 -6.809 2.513 1.00 1.69 C ATOM 37 O ARG A 8 -15.221 -6.352 1.398 1.00 2.38 O ATOM 38 CB ARG A 8 -17.595 -7.661 1.504 1.00 2.95 C ATOM 39 CG ARG A 8 -18.929 -8.360 1.753 1.00 3.61 C ATOM 40 CD ARG A 8 -19.863 -8.234 0.553 1.00 4.57 C ATOM 41 NE ARG A 8 -19.821 -9.449 -0.252 1.00 5.39 N ATOM 42 CZ ARG A 8 -20.140 -9.444 -1.542 1.00 6.19 C ATOM 43 NH1 ARG A 8 -21.412 -9.403 -1.913 1.00 6.68 N ATOM 44 NH2 ARG A 8 -19.186 -9.477 -2.462 1.00 6.74 N ATOM 0 H ARG A 8 -17.782 -7.143 4.629 1.00 2.49 H new ATOM 0 HA ARG A 8 -16.622 -8.455 3.243 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -17.772 -6.689 1.044 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -17.003 -8.245 0.799 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -18.753 -9.414 1.969 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -19.407 -7.930 2.633 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -20.882 -8.051 0.894 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -19.572 -7.377 -0.054 1.00 4.57 H new ATOM 0 HE ARG A 8 -19.539 -10.326 0.187 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -22.148 -9.375 -1.208 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -21.654 -9.399 -2.904 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -18.206 -9.506 -2.180 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -19.432 -9.473 -3.452 1.00 6.74 H new ATOM 58 N MET A 9 -14.618 -6.753 3.530 1.00 1.18 N ATOM 59 CA MET A 9 -13.303 -6.139 3.399 1.00 0.82 C ATOM 60 C MET A 9 -12.574 -6.673 2.172 1.00 0.72 C ATOM 61 O MET A 9 -12.529 -7.881 1.941 1.00 0.97 O ATOM 62 CB MET A 9 -12.475 -6.414 4.651 1.00 1.08 C ATOM 63 CG MET A 9 -12.323 -5.163 5.512 1.00 1.61 C ATOM 64 SD MET A 9 -12.022 -5.549 7.244 1.00 2.27 S ATOM 65 CE MET A 9 -13.637 -5.197 7.957 1.00 2.82 C ATOM 0 H MET A 9 -14.815 -7.128 4.458 1.00 1.18 H new ATOM 0 HA MET A 9 -13.437 -5.064 3.280 1.00 0.82 H new ATOM 0 HB2 MET A 9 -12.949 -7.203 5.235 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.489 -6.780 4.363 1.00 1.08 H new ATOM 0 HG2 MET A 9 -11.499 -4.561 5.129 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.226 -4.558 5.430 1.00 1.61 H new ATOM 0 HE1 MET A 9 -13.611 -5.389 9.030 1.00 2.82 H new ATOM 0 HE2 MET A 9 -13.892 -4.152 7.782 1.00 2.82 H new ATOM 0 HE3 MET A 9 -14.387 -5.837 7.492 1.00 2.82 H new ATOM 75 N ASP A 10 -11.999 -5.764 1.389 1.00 0.49 N ATOM 76 CA ASP A 10 -11.266 -6.140 0.186 1.00 0.42 C ATOM 77 C ASP A 10 -9.772 -5.930 0.393 1.00 0.38 C ATOM 78 O ASP A 10 -9.343 -4.871 0.850 1.00 0.54 O ATOM 79 CB ASP A 10 -11.746 -5.313 -1.001 1.00 0.44 C ATOM 80 CG ASP A 10 -12.081 -6.221 -2.177 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.015 -7.039 -2.051 1.00 1.53 O ATOM 82 OD2 ASP A 10 -11.407 -6.113 -3.224 1.00 1.55 O ATOM 0 H ASP A 10 -12.027 -4.760 1.568 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.450 -7.195 -0.019 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.625 -4.734 -0.718 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -10.975 -4.600 -1.292 1.00 0.44 H new ATOM 87 N TYR A 11 -8.983 -6.947 0.060 1.00 0.40 N ATOM 88 CA TYR A 11 -7.536 -6.871 0.218 1.00 0.37 C ATOM 89 C TYR A 11 -6.833 -7.054 -1.120 1.00 0.34 C ATOM 90 O TYR A 11 -7.429 -7.521 -2.092 1.00 0.38 O ATOM 91 CB TYR A 11 -7.062 -7.939 1.197 1.00 0.42 C ATOM 92 CG TYR A 11 -7.228 -9.340 0.662 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.433 -10.002 0.814 1.00 0.54 C ATOM 94 CD2 TYR A 11 -6.176 -9.968 0.019 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.587 -11.286 0.323 1.00 0.63 C ATOM 96 CE2 TYR A 11 -6.330 -11.252 -0.472 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.535 -11.906 -0.318 1.00 0.67 C ATOM 98 OH TYR A 11 -7.688 -13.183 -0.806 1.00 0.78 O ATOM 0 H TYR A 11 -9.321 -7.831 -0.320 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.287 -5.884 0.608 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.012 -7.768 1.434 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.618 -7.843 2.129 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.255 -9.515 1.317 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -5.233 -9.455 -0.100 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.529 -11.802 0.441 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -5.509 -11.741 -0.975 1.00 0.67 H new ATOM 0 HH TYR A 11 -6.854 -13.473 -1.230 1.00 0.78 H new ATOM 108 N VAL A 12 -5.558 -6.688 -1.157 1.00 0.34 N ATOM 109 CA VAL A 12 -4.751 -6.809 -2.363 1.00 0.34 C ATOM 110 C VAL A 12 -3.284 -6.574 -2.032 1.00 0.35 C ATOM 111 O VAL A 12 -2.959 -6.022 -0.980 1.00 0.51 O ATOM 112 CB VAL A 12 -5.215 -5.804 -3.414 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.064 -4.375 -2.899 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.446 -5.993 -4.718 1.00 0.81 C ATOM 0 H VAL A 12 -5.057 -6.301 -0.357 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.870 -7.816 -2.764 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.272 -5.983 -3.613 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.400 -3.675 -3.664 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.666 -4.247 -2.000 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.017 -4.181 -2.665 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.792 -5.267 -5.453 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.381 -5.846 -4.537 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.614 -7.001 -5.097 1.00 0.81 H new ATOM 124 N GLU A 13 -2.399 -6.999 -2.924 1.00 0.49 N ATOM 125 CA GLU A 13 -0.967 -6.833 -2.711 1.00 0.54 C ATOM 126 C GLU A 13 -0.255 -6.519 -4.019 1.00 0.50 C ATOM 127 O GLU A 13 -0.440 -7.212 -5.020 1.00 0.60 O ATOM 128 CB GLU A 13 -0.381 -8.104 -2.101 1.00 0.67 C ATOM 129 CG GLU A 13 -1.294 -8.688 -1.025 1.00 1.05 C ATOM 130 CD GLU A 13 -0.697 -9.974 -0.468 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.376 -10.878 -1.268 1.00 1.97 O ATOM 132 OE2 GLU A 13 -0.551 -10.076 0.769 1.00 2.05 O ATOM 0 H GLU A 13 -2.646 -7.460 -3.800 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.819 -5.997 -2.027 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.223 -8.844 -2.885 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.595 -7.884 -1.669 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.430 -7.964 -0.222 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.280 -8.888 -1.444 1.00 1.05 H new ATOM 139 N ILE A 14 0.567 -5.476 -4.002 1.00 0.48 N ATOM 140 CA ILE A 14 1.320 -5.075 -5.183 1.00 0.49 C ATOM 141 C ILE A 14 2.751 -5.588 -5.087 1.00 0.48 C ATOM 142 O ILE A 14 3.471 -5.278 -4.136 1.00 0.43 O ATOM 143 CB ILE A 14 1.320 -3.557 -5.321 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.674 -2.895 -3.992 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.030 -3.055 -5.824 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.927 -1.401 -4.158 1.00 0.63 C ATOM 0 H ILE A 14 0.729 -4.892 -3.181 1.00 0.48 H new ATOM 0 HA ILE A 14 0.845 -5.507 -6.064 1.00 0.49 H new ATOM 0 HB ILE A 14 2.079 -3.286 -6.055 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.863 -3.050 -3.280 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.561 -3.370 -3.573 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.004 -1.969 -5.914 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.242 -3.495 -6.799 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.810 -3.342 -5.119 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.176 -0.964 -3.191 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.755 -1.247 -4.850 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.031 -0.922 -4.552 1.00 0.63 H new ATOM 158 N ASN A 15 3.155 -6.380 -6.074 1.00 0.59 N ATOM 159 CA ASN A 15 4.498 -6.946 -6.103 1.00 0.62 C ATOM 160 C ASN A 15 5.529 -5.866 -6.404 1.00 0.60 C ATOM 161 O ASN A 15 5.592 -5.348 -7.518 1.00 0.78 O ATOM 162 CB ASN A 15 4.579 -8.045 -7.158 1.00 0.79 C ATOM 163 CG ASN A 15 5.410 -9.213 -6.645 1.00 1.31 C ATOM 164 OD1 ASN A 15 6.626 -9.101 -6.487 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.755 -10.339 -6.386 1.00 1.54 N ATOM 0 H ASN A 15 2.570 -6.645 -6.866 1.00 0.59 H new ATOM 0 HA ASN A 15 4.714 -7.371 -5.123 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.576 -8.388 -7.413 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.022 -7.649 -8.072 1.00 0.79 H new ATOM 0 HD21 ASN A 15 5.260 -11.155 -6.042 1.00 1.54 H new ATOM 0 HD22 ASN A 15 3.747 -10.387 -6.531 1.00 1.54 H new ATOM 172 N ILE A 16 6.340 -5.536 -5.405 1.00 0.49 N ATOM 173 CA ILE A 16 7.374 -4.521 -5.562 1.00 0.49 C ATOM 174 C ILE A 16 8.753 -5.158 -5.479 1.00 0.56 C ATOM 175 O ILE A 16 8.923 -6.210 -4.865 1.00 0.66 O ATOM 176 CB ILE A 16 7.228 -3.452 -4.483 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.787 -2.951 -4.414 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.186 -2.290 -4.735 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.356 -2.300 -5.724 1.00 0.84 C ATOM 0 H ILE A 16 6.301 -5.957 -4.477 1.00 0.49 H new ATOM 0 HA ILE A 16 7.260 -4.054 -6.540 1.00 0.49 H new ATOM 0 HB ILE A 16 7.484 -3.903 -3.524 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.122 -3.784 -4.185 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.690 -2.232 -3.600 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.063 -1.541 -3.953 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.212 -2.657 -4.728 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.967 -1.842 -5.704 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.325 -1.956 -5.637 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.005 -1.451 -5.939 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.429 -3.027 -6.533 1.00 0.84 H new ATOM 191 N ASP A 17 9.736 -4.518 -6.099 1.00 0.63 N ATOM 192 CA ASP A 17 11.102 -5.025 -6.091 1.00 0.75 C ATOM 193 C ASP A 17 12.025 -4.043 -5.383 1.00 1.00 C ATOM 194 O ASP A 17 12.869 -3.408 -6.011 1.00 1.75 O ATOM 195 CB ASP A 17 11.584 -5.252 -7.521 1.00 1.27 C ATOM 196 CG ASP A 17 11.022 -6.558 -8.066 1.00 1.63 C ATOM 197 OD1 ASP A 17 9.888 -6.922 -7.689 1.00 2.21 O ATOM 198 OD2 ASP A 17 11.717 -7.216 -8.868 1.00 2.16 O ATOM 0 H ASP A 17 9.613 -3.646 -6.614 1.00 0.63 H new ATOM 0 HA ASP A 17 11.119 -5.974 -5.554 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.271 -4.421 -8.154 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.673 -5.279 -7.545 1.00 1.27 H new ATOM 203 N HIS A 18 11.852 -3.919 -4.070 1.00 1.27 N ATOM 204 CA HIS A 18 12.666 -3.006 -3.278 1.00 1.85 C ATOM 205 C HIS A 18 12.444 -1.573 -3.742 1.00 1.32 C ATOM 206 O HIS A 18 11.443 -1.274 -4.393 1.00 2.00 O ATOM 207 CB HIS A 18 14.141 -3.379 -3.408 1.00 2.83 C ATOM 208 CG HIS A 18 14.794 -3.650 -2.089 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.939 -2.700 -1.110 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.352 -4.774 -1.569 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.545 -3.197 -0.058 1.00 4.73 C ATOM 212 NE2 HIS A 18 15.815 -4.470 -0.302 1.00 4.84 N ATOM 0 H HIS A 18 11.157 -4.439 -3.534 1.00 1.27 H new ATOM 0 HA HIS A 18 12.373 -3.085 -2.231 1.00 1.85 H new ATOM 0 HB2 HIS A 18 14.232 -4.262 -4.041 1.00 2.83 H new ATOM 0 HB3 HIS A 18 14.672 -2.570 -3.911 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.422 -5.734 -2.058 1.00 4.16 H new ATOM 0 HE1 HIS A 18 15.782 -2.661 0.849 1.00 4.73 H new ATOM 0 HE2 HIS A 18 16.283 -5.115 0.334 1.00 4.84 H new ATOM 220 N LYS A 19 13.380 -0.690 -3.409 1.00 0.82 N ATOM 221 CA LYS A 19 13.291 0.713 -3.798 1.00 0.84 C ATOM 222 C LYS A 19 12.167 1.424 -3.052 1.00 0.77 C ATOM 223 O LYS A 19 12.411 2.386 -2.323 1.00 1.13 O ATOM 224 CB LYS A 19 13.067 0.818 -5.301 1.00 1.47 C ATOM 225 CG LYS A 19 14.083 -0.011 -6.081 1.00 1.97 C ATOM 226 CD LYS A 19 13.940 0.196 -7.586 1.00 2.72 C ATOM 227 CE LYS A 19 15.059 1.074 -8.140 1.00 3.37 C ATOM 228 NZ LYS A 19 16.024 0.277 -8.948 1.00 4.03 N ATOM 0 H LYS A 19 14.213 -0.923 -2.868 1.00 0.82 H new ATOM 0 HA LYS A 19 14.230 1.200 -3.535 1.00 0.84 H new ATOM 0 HB2 LYS A 19 12.059 0.481 -5.543 1.00 1.47 H new ATOM 0 HB3 LYS A 19 13.136 1.862 -5.607 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.091 0.262 -5.770 1.00 1.97 H new ATOM 0 HG3 LYS A 19 13.951 -1.067 -5.844 1.00 1.97 H new ATOM 0 HD2 LYS A 19 13.952 -0.771 -8.090 1.00 2.72 H new ATOM 0 HD3 LYS A 19 12.975 0.656 -7.801 1.00 2.72 H new ATOM 0 HE2 LYS A 19 14.632 1.865 -8.756 1.00 3.37 H new ATOM 0 HE3 LYS A 19 15.584 1.559 -7.317 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 16.772 0.902 -9.311 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 16.448 -0.462 -8.352 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 15.526 -0.166 -9.746 1.00 4.03 H new ATOM 242 N PHE A 20 10.935 0.955 -3.234 1.00 0.63 N ATOM 243 CA PHE A 20 9.785 1.556 -2.578 1.00 0.61 C ATOM 244 C PHE A 20 9.861 1.316 -1.063 1.00 0.62 C ATOM 245 O PHE A 20 10.918 1.511 -0.465 1.00 0.95 O ATOM 246 CB PHE A 20 8.500 0.992 -3.190 1.00 0.62 C ATOM 247 CG PHE A 20 8.375 1.273 -4.665 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.018 0.459 -5.579 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.618 2.344 -5.110 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.905 0.711 -6.935 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.505 2.597 -6.466 1.00 1.17 C ATOM 252 CZ PHE A 20 8.140 1.803 -7.374 1.00 1.19 C ATOM 0 H PHE A 20 10.711 0.159 -3.832 1.00 0.63 H new ATOM 0 HA PHE A 20 9.784 2.635 -2.734 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.470 -0.085 -3.028 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.641 1.417 -2.671 1.00 0.62 H new ATOM 0 HD1 PHE A 20 9.610 -0.376 -5.234 1.00 1.08 H new ATOM 0 HD2 PHE A 20 7.115 2.982 -4.398 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.402 0.072 -7.650 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.909 3.430 -6.808 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.055 2.014 -8.430 1.00 1.19 H new ATOM 262 N HIS A 21 8.754 0.896 -0.440 1.00 0.53 N ATOM 263 CA HIS A 21 8.713 0.637 0.992 1.00 0.57 C ATOM 264 C HIS A 21 9.433 1.726 1.788 1.00 0.69 C ATOM 265 O HIS A 21 8.822 2.722 2.178 1.00 1.03 O ATOM 266 CB HIS A 21 9.305 -0.731 1.286 1.00 0.54 C ATOM 267 CG HIS A 21 8.446 -1.830 0.766 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.062 -2.910 1.515 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.853 -2.006 -0.436 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.276 -3.702 0.827 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.128 -3.182 -0.382 1.00 0.42 N ATOM 0 H HIS A 21 7.868 0.729 -0.917 1.00 0.53 H new ATOM 0 HA HIS A 21 7.670 0.649 1.308 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.296 -0.802 0.838 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.433 -0.848 2.362 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.349 -3.076 2.480 1.00 0.48 H new ATOM 0 HD2 HIS A 21 7.932 -1.346 -1.287 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.828 -4.618 1.183 1.00 0.45 H new ATOM 279 N ARG A 22 10.730 1.539 2.032 1.00 0.68 N ATOM 280 CA ARG A 22 11.517 2.510 2.785 1.00 0.80 C ATOM 281 C ARG A 22 11.304 3.919 2.242 1.00 0.81 C ATOM 282 O ARG A 22 11.367 4.896 2.986 1.00 0.92 O ATOM 283 CB ARG A 22 12.997 2.148 2.712 1.00 0.93 C ATOM 284 CG ARG A 22 13.731 2.525 3.996 1.00 1.64 C ATOM 285 CD ARG A 22 14.175 1.289 4.771 1.00 2.14 C ATOM 286 NE ARG A 22 14.718 1.670 6.070 1.00 2.73 N ATOM 287 CZ ARG A 22 15.934 1.298 6.454 1.00 3.33 C ATOM 288 NH1 ARG A 22 16.355 0.062 6.224 1.00 3.72 N ATOM 289 NH2 ARG A 22 16.730 2.161 7.069 1.00 3.95 N ATOM 0 H ARG A 22 11.256 0.723 1.718 1.00 0.68 H new ATOM 0 HA ARG A 22 11.188 2.486 3.824 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.102 1.078 2.533 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.456 2.660 1.866 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.601 3.135 3.753 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.080 3.134 4.623 1.00 1.64 H new ATOM 0 HD2 ARG A 22 13.330 0.614 4.907 1.00 2.14 H new ATOM 0 HD3 ARG A 22 14.928 0.745 4.200 1.00 2.14 H new ATOM 0 HE ARG A 22 14.150 2.236 6.700 1.00 2.73 H new ATOM 0 HH11 ARG A 22 15.745 -0.605 5.751 1.00 3.72 H new ATOM 0 HH12 ARG A 22 17.289 -0.222 6.520 1.00 3.72 H new ATOM 0 HH21 ARG A 22 16.409 3.113 7.248 1.00 3.95 H new ATOM 0 HH22 ARG A 22 17.663 1.874 7.363 1.00 3.95 H new ATOM 303 N HIS A 23 11.051 4.016 0.940 1.00 0.90 N ATOM 304 CA HIS A 23 10.829 5.306 0.298 1.00 0.98 C ATOM 305 C HIS A 23 9.459 5.861 0.669 1.00 0.96 C ATOM 306 O HIS A 23 9.316 7.052 0.947 1.00 1.12 O ATOM 307 CB HIS A 23 10.937 5.160 -1.216 1.00 1.02 C ATOM 308 CG HIS A 23 11.862 6.160 -1.838 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.187 7.354 -1.247 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.545 6.154 -3.012 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.016 8.041 -2.000 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.258 7.335 -3.092 1.00 1.86 N ATOM 0 H HIS A 23 10.995 3.216 0.310 1.00 0.90 H new ATOM 0 HA HIS A 23 11.592 6.002 0.647 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.285 4.155 -1.454 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.946 5.267 -1.657 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.533 5.367 -3.751 1.00 1.56 H new ATOM 0 HE1 HIS A 23 13.428 9.012 -1.768 1.00 2.07 H new ATOM 0 HE2 HIS A 23 13.867 7.614 -3.861 1.00 1.86 H new ATOM 320 N LEU A 24 8.454 4.992 0.668 1.00 0.86 N ATOM 321 CA LEU A 24 7.092 5.393 1.001 1.00 0.87 C ATOM 322 C LEU A 24 6.982 5.749 2.478 1.00 0.97 C ATOM 323 O LEU A 24 6.631 6.874 2.830 1.00 1.16 O ATOM 324 CB LEU A 24 6.119 4.266 0.664 1.00 0.73 C ATOM 325 CG LEU A 24 5.703 4.307 -0.804 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.349 3.163 -1.579 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.183 4.257 -0.936 1.00 1.25 C ATOM 0 H LEU A 24 8.557 4.003 0.440 1.00 0.86 H new ATOM 0 HA LEU A 24 6.838 6.275 0.412 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.583 3.305 0.885 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.235 4.346 1.296 1.00 0.73 H new ATOM 0 HG LEU A 24 6.051 5.248 -1.231 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.040 3.210 -2.623 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.434 3.249 -1.518 1.00 0.72 H new ATOM 0 HD13 LEU A 24 6.036 2.211 -1.151 1.00 0.72 H new ATOM 0 HD21 LEU A 24 3.908 4.287 -1.990 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.809 3.335 -0.490 1.00 1.25 H new ATOM 0 HD23 LEU A 24 3.745 5.113 -0.422 1.00 1.25 H new ATOM 339 N ILE A 25 7.282 4.782 3.342 1.00 0.92 N ATOM 340 CA ILE A 25 7.214 4.997 4.783 1.00 1.10 C ATOM 341 C ILE A 25 8.280 5.991 5.226 1.00 1.41 C ATOM 342 O ILE A 25 9.265 5.619 5.864 1.00 1.91 O ATOM 343 CB ILE A 25 7.399 3.673 5.518 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.699 2.997 5.099 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.213 2.747 5.276 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.333 2.247 6.265 1.00 0.91 C ATOM 0 H ILE A 25 7.574 3.844 3.069 1.00 0.92 H new ATOM 0 HA ILE A 25 6.234 5.407 5.026 1.00 1.10 H new ATOM 0 HB ILE A 25 7.453 3.887 6.585 1.00 0.94 H new ATOM 0 HG12 ILE A 25 8.504 2.304 4.281 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.396 3.746 4.723 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.368 1.810 5.810 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.301 3.223 5.636 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.121 2.545 4.209 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.259 1.776 5.934 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.550 2.946 7.072 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.644 1.482 6.623 1.00 0.91 H new ATOM 358 N GLY A 26 8.078 7.259 4.882 1.00 1.49 N ATOM 359 CA GLY A 26 9.021 8.311 5.241 1.00 1.87 C ATOM 360 C GLY A 26 9.139 8.451 6.753 1.00 1.82 C ATOM 361 O GLY A 26 8.474 9.289 7.362 1.00 2.29 O ATOM 0 H GLY A 26 7.268 7.583 4.354 1.00 1.49 H new ATOM 0 HA2 GLY A 26 9.999 8.087 4.816 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.696 9.258 4.810 1.00 1.87 H new ATOM 365 N LYS A 27 9.994 7.628 7.354 1.00 1.86 N ATOM 366 CA LYS A 27 10.204 7.661 8.796 1.00 1.91 C ATOM 367 C LYS A 27 8.909 7.357 9.539 1.00 1.62 C ATOM 368 O LYS A 27 7.908 8.054 9.375 1.00 2.38 O ATOM 369 CB LYS A 27 10.731 9.030 9.216 1.00 2.21 C ATOM 370 CG LYS A 27 11.988 8.909 10.072 1.00 2.65 C ATOM 371 CD LYS A 27 13.187 9.580 9.408 1.00 3.30 C ATOM 372 CE LYS A 27 13.821 10.626 10.320 1.00 3.80 C ATOM 373 NZ LYS A 27 15.303 10.478 10.366 1.00 4.51 N ATOM 0 H LYS A 27 10.553 6.930 6.863 1.00 1.86 H new ATOM 0 HA LYS A 27 10.938 6.897 9.052 1.00 1.91 H new ATOM 0 HB2 LYS A 27 10.950 9.624 8.329 1.00 2.21 H new ATOM 0 HB3 LYS A 27 9.960 9.562 9.774 1.00 2.21 H new ATOM 0 HG2 LYS A 27 11.810 9.363 11.047 1.00 2.65 H new ATOM 0 HG3 LYS A 27 12.210 7.856 10.246 1.00 2.65 H new ATOM 0 HD2 LYS A 27 13.929 8.825 9.148 1.00 3.30 H new ATOM 0 HD3 LYS A 27 12.872 10.051 8.477 1.00 3.30 H new ATOM 0 HE2 LYS A 27 13.564 11.624 9.966 1.00 3.80 H new ATOM 0 HE3 LYS A 27 13.412 10.530 11.326 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 15.705 11.203 10.994 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 15.547 9.534 10.727 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 15.693 10.594 9.409 1.00 4.51 H new ATOM 387 N SER A 28 8.937 6.311 10.359 1.00 1.28 N ATOM 388 CA SER A 28 7.768 5.908 11.134 1.00 1.60 C ATOM 389 C SER A 28 6.569 5.659 10.224 1.00 1.60 C ATOM 390 O SER A 28 5.424 5.683 10.675 1.00 2.28 O ATOM 391 CB SER A 28 7.427 6.988 12.154 1.00 1.99 C ATOM 392 OG SER A 28 6.579 6.463 13.166 1.00 2.57 O ATOM 0 H SER A 28 9.759 5.725 10.504 1.00 1.28 H new ATOM 0 HA SER A 28 8.004 4.979 11.652 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.342 7.376 12.602 1.00 1.99 H new ATOM 0 HB3 SER A 28 6.936 7.825 11.657 1.00 1.99 H new ATOM 0 HG SER A 28 5.825 5.995 12.751 1.00 2.57 H new ATOM 398 N GLY A 29 6.834 5.417 8.941 1.00 1.21 N ATOM 399 CA GLY A 29 5.775 5.159 7.966 1.00 1.23 C ATOM 400 C GLY A 29 4.606 6.121 8.143 1.00 1.36 C ATOM 401 O GLY A 29 3.684 5.858 8.916 1.00 2.05 O ATOM 0 H GLY A 29 7.776 5.394 8.551 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.177 5.255 6.957 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.423 4.133 8.073 1.00 1.23 H new ATOM 405 N ALA A 30 4.650 7.235 7.419 1.00 1.00 N ATOM 406 CA ALA A 30 3.595 8.238 7.492 1.00 1.10 C ATOM 407 C ALA A 30 2.761 8.228 6.217 1.00 1.06 C ATOM 408 O ALA A 30 1.557 8.484 6.249 1.00 1.43 O ATOM 409 CB ALA A 30 4.202 9.622 7.704 1.00 1.27 C ATOM 0 H ALA A 30 5.406 7.465 6.774 1.00 1.00 H new ATOM 0 HA ALA A 30 2.947 7.999 8.336 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.406 10.364 7.757 1.00 1.27 H new ATOM 0 HB2 ALA A 30 4.770 9.632 8.634 1.00 1.27 H new ATOM 0 HB3 ALA A 30 4.865 9.860 6.872 1.00 1.27 H new ATOM 415 N ASN A 31 3.407 7.928 5.095 1.00 0.73 N ATOM 416 CA ASN A 31 2.726 7.881 3.807 1.00 0.69 C ATOM 417 C ASN A 31 1.521 6.953 3.876 1.00 0.60 C ATOM 418 O ASN A 31 0.427 7.298 3.424 1.00 0.58 O ATOM 419 CB ASN A 31 3.688 7.400 2.724 1.00 0.71 C ATOM 420 CG ASN A 31 4.560 8.550 2.239 1.00 1.24 C ATOM 421 OD1 ASN A 31 4.942 9.425 3.016 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.879 8.548 0.950 1.00 1.42 N ATOM 0 H ASN A 31 4.403 7.713 5.052 1.00 0.73 H new ATOM 0 HA ASN A 31 2.382 8.885 3.560 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.316 6.600 3.116 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.126 6.984 1.888 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.463 9.292 0.568 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.540 7.802 0.342 1.00 1.42 H new ATOM 429 N ILE A 32 1.727 5.772 4.449 1.00 0.58 N ATOM 430 CA ILE A 32 0.662 4.787 4.584 1.00 0.56 C ATOM 431 C ILE A 32 -0.569 5.421 5.223 1.00 0.52 C ATOM 432 O ILE A 32 -1.699 5.005 4.964 1.00 0.51 O ATOM 433 CB ILE A 32 1.142 3.611 5.427 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.490 4.068 6.841 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.343 2.930 4.775 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.647 2.884 7.791 1.00 1.07 C ATOM 0 H ILE A 32 2.626 5.474 4.828 1.00 0.58 H new ATOM 0 HA ILE A 32 0.393 4.425 3.592 1.00 0.56 H new ATOM 0 HB ILE A 32 0.330 2.886 5.489 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.415 4.644 6.821 1.00 0.70 H new ATOM 0 HG13 ILE A 32 0.709 4.732 7.212 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.668 2.094 5.394 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.061 2.562 3.788 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.158 3.647 4.676 1.00 0.69 H new ATOM 0 HD11 ILE A 32 1.895 3.248 8.788 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.713 2.323 7.831 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.446 2.234 7.433 1.00 1.07 H new ATOM 448 N ASN A 33 -0.341 6.433 6.054 1.00 0.56 N ATOM 449 CA ASN A 33 -1.431 7.131 6.726 1.00 0.59 C ATOM 450 C ASN A 33 -2.089 8.120 5.776 1.00 0.54 C ATOM 451 O ASN A 33 -3.310 8.278 5.775 1.00 0.55 O ATOM 452 CB ASN A 33 -0.901 7.865 7.955 1.00 0.71 C ATOM 453 CG ASN A 33 -1.953 7.877 9.057 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.549 8.913 9.350 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.182 6.721 9.671 1.00 1.62 N ATOM 0 H ASN A 33 0.589 6.788 6.278 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.174 6.398 7.041 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.006 7.379 8.314 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.631 8.887 7.689 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.875 6.669 10.417 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.665 5.886 9.396 1.00 1.62 H new ATOM 462 N ARG A 34 -1.274 8.785 4.961 1.00 0.55 N ATOM 463 CA ARG A 34 -1.779 9.756 3.999 1.00 0.56 C ATOM 464 C ARG A 34 -2.880 9.134 3.152 1.00 0.48 C ATOM 465 O ARG A 34 -4.011 9.619 3.135 1.00 0.48 O ATOM 466 CB ARG A 34 -0.645 10.246 3.102 1.00 0.65 C ATOM 467 CG ARG A 34 -0.754 11.743 2.825 1.00 0.89 C ATOM 468 CD ARG A 34 0.030 12.562 3.845 1.00 1.22 C ATOM 469 NE ARG A 34 -0.102 13.987 3.560 1.00 1.69 N ATOM 470 CZ ARG A 34 -0.646 14.826 4.435 1.00 2.27 C ATOM 471 NH1 ARG A 34 -1.762 14.492 5.071 1.00 2.90 N ATOM 472 NH2 ARG A 34 -0.075 15.997 4.678 1.00 2.78 N ATOM 0 H ARG A 34 -0.261 8.668 4.949 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.191 10.605 4.544 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.313 10.032 3.576 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.664 9.699 2.160 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.382 11.956 1.823 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.802 12.042 2.846 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -0.335 12.350 4.850 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.081 12.275 3.821 1.00 1.22 H new ATOM 0 HE ARG A 34 0.232 14.348 2.666 1.00 1.69 H new ATOM 0 HH11 ARG A 34 -2.203 13.591 4.888 1.00 2.90 H new ATOM 0 HH12 ARG A 34 -2.179 15.137 5.743 1.00 2.90 H new ATOM 0 HH21 ARG A 34 0.784 16.256 4.193 1.00 2.78 H new ATOM 0 HH22 ARG A 34 -0.495 16.639 5.350 1.00 2.78 H new ATOM 486 N ILE A 35 -2.547 8.050 2.458 1.00 0.45 N ATOM 487 CA ILE A 35 -3.515 7.353 1.618 1.00 0.40 C ATOM 488 C ILE A 35 -4.671 6.849 2.471 1.00 0.34 C ATOM 489 O ILE A 35 -5.837 7.120 2.185 1.00 0.34 O ATOM 490 CB ILE A 35 -2.844 6.184 0.906 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.633 6.665 0.110 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.831 5.462 -0.004 1.00 0.40 C ATOM 493 CD1 ILE A 35 -2.000 7.802 -0.840 1.00 1.29 C ATOM 0 H ILE A 35 -1.615 7.636 2.461 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.900 8.046 0.870 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.502 5.478 1.662 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.856 7.000 0.796 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.218 5.834 -0.460 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.328 4.632 -0.501 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.661 5.080 0.590 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.210 6.157 -0.753 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -1.113 8.118 -1.389 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -2.759 7.458 -1.543 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -2.391 8.643 -0.267 1.00 1.29 H new ATOM 505 N LYS A 36 -4.333 6.117 3.530 1.00 0.35 N ATOM 506 CA LYS A 36 -5.325 5.570 4.452 1.00 0.36 C ATOM 507 C LYS A 36 -6.358 6.630 4.823 1.00 0.39 C ATOM 508 O LYS A 36 -7.509 6.312 5.114 1.00 0.51 O ATOM 509 CB LYS A 36 -4.621 5.067 5.712 1.00 0.44 C ATOM 510 CG LYS A 36 -5.611 4.634 6.790 1.00 1.09 C ATOM 511 CD LYS A 36 -5.563 5.561 8.000 1.00 1.41 C ATOM 512 CE LYS A 36 -6.830 5.451 8.843 1.00 2.17 C ATOM 513 NZ LYS A 36 -7.500 6.774 8.989 1.00 2.76 N ATOM 0 H LYS A 36 -3.369 5.887 3.772 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.842 4.743 3.965 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.976 4.227 5.455 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.978 5.854 6.106 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.620 4.626 6.377 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.387 3.614 7.103 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.695 5.316 8.613 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.436 6.591 7.665 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -7.517 4.742 8.380 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -6.581 5.057 9.828 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -8.358 6.667 9.567 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -6.852 7.442 9.452 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -7.759 7.138 8.050 1.00 2.76 H new ATOM 527 N ASP A 37 -5.934 7.888 4.814 1.00 0.40 N ATOM 528 CA ASP A 37 -6.813 8.996 5.151 1.00 0.45 C ATOM 529 C ASP A 37 -7.430 9.584 3.891 1.00 0.44 C ATOM 530 O ASP A 37 -8.555 10.082 3.909 1.00 0.60 O ATOM 531 CB ASP A 37 -6.013 10.064 5.881 1.00 0.51 C ATOM 532 CG ASP A 37 -6.684 10.425 7.200 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.853 10.865 7.173 1.00 1.56 O ATOM 534 OD2 ASP A 37 -6.041 10.266 8.258 1.00 1.37 O ATOM 0 H ASP A 37 -4.982 8.165 4.575 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.616 8.634 5.793 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.001 9.705 6.067 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.926 10.952 5.256 1.00 0.51 H new ATOM 539 N GLN A 38 -6.677 9.530 2.800 1.00 0.41 N ATOM 540 CA GLN A 38 -7.131 10.064 1.523 1.00 0.46 C ATOM 541 C GLN A 38 -8.192 9.167 0.896 1.00 0.42 C ATOM 542 O GLN A 38 -9.219 9.650 0.421 1.00 0.68 O ATOM 543 CB GLN A 38 -5.946 10.209 0.574 1.00 0.54 C ATOM 544 CG GLN A 38 -6.305 11.028 -0.665 1.00 0.65 C ATOM 545 CD GLN A 38 -6.683 12.446 -0.281 1.00 1.05 C ATOM 546 OE1 GLN A 38 -7.744 12.686 0.294 1.00 1.65 O ATOM 547 NE2 GLN A 38 -5.818 13.390 -0.608 1.00 1.66 N ATOM 0 H GLN A 38 -5.744 9.119 2.775 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.578 11.042 1.702 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.118 10.687 1.098 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.602 9.221 0.269 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.459 11.046 -1.353 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.134 10.555 -1.191 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -4.950 13.144 -1.084 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -6.018 14.365 -0.384 1.00 1.66 H new ATOM 556 N TYR A 39 -7.940 7.861 0.887 1.00 0.34 N ATOM 557 CA TYR A 39 -8.882 6.909 0.306 1.00 0.34 C ATOM 558 C TYR A 39 -9.550 6.059 1.380 1.00 0.30 C ATOM 559 O TYR A 39 -10.166 5.038 1.073 1.00 0.32 O ATOM 560 CB TYR A 39 -8.160 6.005 -0.690 1.00 0.39 C ATOM 561 CG TYR A 39 -7.650 6.742 -1.901 1.00 0.46 C ATOM 562 CD1 TYR A 39 -8.520 7.089 -2.921 1.00 0.64 C ATOM 563 CD2 TYR A 39 -6.310 7.073 -2.000 1.00 0.53 C ATOM 564 CE1 TYR A 39 -8.051 7.764 -4.034 1.00 0.73 C ATOM 565 CE2 TYR A 39 -5.841 7.749 -3.113 1.00 0.62 C ATOM 566 CZ TYR A 39 -6.714 8.091 -4.126 1.00 0.66 C ATOM 567 OH TYR A 39 -6.247 8.762 -5.233 1.00 0.77 O ATOM 0 H TYR A 39 -7.096 7.439 1.273 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.658 7.477 -0.208 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -7.322 5.520 -0.189 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.839 5.216 -1.013 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -9.566 6.832 -2.848 1.00 0.64 H new ATOM 0 HD2 TYR A 39 -5.628 6.803 -1.207 1.00 0.53 H new ATOM 0 HE1 TYR A 39 -8.730 8.034 -4.829 1.00 0.73 H new ATOM 0 HE2 TYR A 39 -4.795 8.008 -3.189 1.00 0.62 H new ATOM 0 HH TYR A 39 -5.304 8.538 -5.377 1.00 0.77 H new ATOM 577 N LYS A 40 -9.432 6.472 2.643 1.00 0.28 N ATOM 578 CA LYS A 40 -10.033 5.729 3.751 1.00 0.31 C ATOM 579 C LYS A 40 -9.725 4.241 3.626 1.00 0.29 C ATOM 580 O LYS A 40 -10.581 3.394 3.880 1.00 0.39 O ATOM 581 CB LYS A 40 -11.543 5.947 3.765 1.00 0.38 C ATOM 582 CG LYS A 40 -12.021 6.466 5.118 1.00 0.86 C ATOM 583 CD LYS A 40 -13.481 6.911 5.063 1.00 1.29 C ATOM 584 CE LYS A 40 -14.056 7.121 6.460 1.00 1.88 C ATOM 585 NZ LYS A 40 -13.429 8.294 7.132 1.00 2.56 N ATOM 0 H LYS A 40 -8.928 7.313 2.923 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.609 6.095 4.686 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.816 6.657 2.985 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -12.049 5.010 3.534 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.906 5.685 5.870 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.396 7.303 5.429 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.559 7.837 4.494 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -14.071 6.162 4.535 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -15.134 7.270 6.394 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -13.895 6.226 7.061 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -13.840 8.412 8.080 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -12.404 8.139 7.216 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -13.605 9.151 6.570 1.00 2.56 H new ATOM 599 N VAL A 41 -8.496 3.935 3.223 1.00 0.23 N ATOM 600 CA VAL A 41 -8.065 2.553 3.047 1.00 0.23 C ATOM 601 C VAL A 41 -7.056 2.163 4.119 1.00 0.27 C ATOM 602 O VAL A 41 -6.774 2.939 5.032 1.00 0.33 O ATOM 603 CB VAL A 41 -7.443 2.384 1.664 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.522 2.386 0.586 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.418 3.482 1.398 1.00 0.23 C ATOM 0 H VAL A 41 -7.779 4.629 3.011 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.934 1.901 3.139 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.931 1.422 1.635 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -8.058 2.264 -0.393 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.215 1.564 0.764 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -9.064 3.331 0.616 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.986 3.344 0.407 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.906 4.455 1.449 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.629 3.432 2.148 1.00 0.23 H new ATOM 615 N SER A 42 -6.514 0.953 4.007 1.00 0.29 N ATOM 616 CA SER A 42 -5.537 0.460 4.969 1.00 0.34 C ATOM 617 C SER A 42 -4.358 -0.191 4.256 1.00 0.30 C ATOM 618 O SER A 42 -4.383 -1.385 3.958 1.00 0.36 O ATOM 619 CB SER A 42 -6.193 -0.546 5.909 1.00 0.43 C ATOM 620 OG SER A 42 -6.606 0.094 7.108 1.00 0.93 O ATOM 0 H SER A 42 -6.736 0.297 3.258 1.00 0.29 H new ATOM 0 HA SER A 42 -5.167 1.306 5.548 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.052 -1.004 5.419 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.492 -1.348 6.140 1.00 0.43 H new ATOM 0 HG SER A 42 -7.027 -0.563 7.701 1.00 0.93 H new ATOM 626 N VAL A 43 -3.325 0.600 3.989 1.00 0.33 N ATOM 627 CA VAL A 43 -2.131 0.102 3.313 1.00 0.34 C ATOM 628 C VAL A 43 -0.974 -0.019 4.298 1.00 0.35 C ATOM 629 O VAL A 43 -0.847 0.789 5.219 1.00 0.55 O ATOM 630 CB VAL A 43 -1.750 1.041 2.172 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.334 2.406 2.712 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.637 0.435 1.321 1.00 0.54 C ATOM 0 H VAL A 43 -3.290 1.590 4.230 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.346 -0.886 2.906 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.626 1.178 1.538 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -1.067 3.060 1.882 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.163 2.845 3.267 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.475 2.289 3.373 1.00 1.25 H new ATOM 0 HG21 VAL A 43 -0.381 1.121 0.514 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.242 0.261 1.942 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.976 -0.511 0.899 1.00 0.54 H new ATOM 642 N ARG A 44 -0.135 -1.032 4.104 1.00 0.31 N ATOM 643 CA ARG A 44 1.008 -1.254 4.983 1.00 0.42 C ATOM 644 C ARG A 44 2.235 -1.676 4.183 1.00 0.40 C ATOM 645 O ARG A 44 2.143 -2.497 3.269 1.00 0.41 O ATOM 646 CB ARG A 44 0.671 -2.326 6.016 1.00 0.52 C ATOM 647 CG ARG A 44 -0.172 -1.761 7.156 1.00 0.78 C ATOM 648 CD ARG A 44 -1.044 -2.836 7.798 1.00 1.05 C ATOM 649 NE ARG A 44 -0.747 -2.948 9.221 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.412 -2.246 10.132 1.00 1.74 C ATOM 651 NH1 ARG A 44 -1.672 -0.963 9.922 1.00 2.28 N ATOM 652 NH2 ARG A 44 -1.818 -2.826 11.253 1.00 2.27 N ATOM 0 H ARG A 44 -0.225 -1.711 3.348 1.00 0.31 H new ATOM 0 HA ARG A 44 1.234 -0.318 5.493 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.132 -3.141 5.533 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.592 -2.747 6.418 1.00 0.52 H new ATOM 0 HG2 ARG A 44 0.482 -1.324 7.911 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -0.804 -0.957 6.778 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.097 -2.591 7.658 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -0.872 -3.794 7.307 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.009 -3.583 9.525 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -1.361 -0.514 9.060 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -2.183 -0.425 10.622 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -1.620 -3.813 11.417 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -2.328 -2.285 11.951 1.00 2.27 H new ATOM 666 N ILE A 45 3.384 -1.113 4.540 1.00 0.46 N ATOM 667 CA ILE A 45 4.643 -1.426 3.871 1.00 0.47 C ATOM 668 C ILE A 45 5.406 -2.485 4.676 1.00 0.53 C ATOM 669 O ILE A 45 5.964 -2.186 5.732 1.00 0.64 O ATOM 670 CB ILE A 45 5.472 -0.140 3.720 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.891 0.740 2.607 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.953 -0.432 3.457 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.260 0.232 1.210 1.00 0.56 C ATOM 0 H ILE A 45 3.470 -0.432 5.295 1.00 0.46 H new ATOM 0 HA ILE A 45 4.448 -1.830 2.878 1.00 0.47 H new ATOM 0 HB ILE A 45 5.415 0.397 4.667 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.806 0.774 2.704 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.254 1.761 2.727 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.497 0.507 3.358 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.365 -1.003 4.289 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.052 -1.008 2.537 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.825 0.889 0.457 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.344 0.223 1.101 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.874 -0.778 1.077 1.00 0.56 H new ATOM 685 N PRO A 46 5.441 -3.740 4.187 1.00 0.48 N ATOM 686 CA PRO A 46 6.139 -4.831 4.872 1.00 0.58 C ATOM 687 C PRO A 46 7.647 -4.794 4.629 1.00 0.61 C ATOM 688 O PRO A 46 8.106 -5.020 3.509 1.00 0.56 O ATOM 689 CB PRO A 46 5.518 -6.084 4.266 1.00 0.57 C ATOM 690 CG PRO A 46 5.018 -5.680 2.919 1.00 0.47 C ATOM 691 CD PRO A 46 4.802 -4.189 2.939 1.00 0.41 C ATOM 0 HA PRO A 46 6.030 -4.775 5.955 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.253 -6.885 4.186 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.705 -6.458 4.889 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.737 -5.952 2.147 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.088 -6.198 2.685 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.252 -3.711 2.069 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.741 -3.942 2.925 1.00 0.41 H new ATOM 699 N PRO A 47 8.441 -4.511 5.677 1.00 0.74 N ATOM 700 CA PRO A 47 9.897 -4.449 5.566 1.00 0.81 C ATOM 701 C PRO A 47 10.542 -5.823 5.717 1.00 0.87 C ATOM 702 O PRO A 47 11.501 -5.988 6.472 1.00 1.53 O ATOM 703 CB PRO A 47 10.295 -3.522 6.710 1.00 0.98 C ATOM 704 CG PRO A 47 9.195 -3.625 7.722 1.00 1.03 C ATOM 705 CD PRO A 47 7.988 -4.228 7.045 1.00 0.85 C ATOM 0 HA PRO A 47 10.227 -4.095 4.589 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.251 -3.820 7.140 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.409 -2.496 6.360 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.508 -4.244 8.563 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.954 -2.641 8.123 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.661 -5.136 7.551 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.144 -3.539 7.050 1.00 0.85 H new ATOM 713 N ASP A 48 10.012 -6.807 4.997 1.00 1.32 N ATOM 714 CA ASP A 48 10.538 -8.166 5.054 1.00 1.46 C ATOM 715 C ASP A 48 10.349 -8.872 3.717 1.00 1.48 C ATOM 716 O ASP A 48 9.223 -9.072 3.262 1.00 2.18 O ATOM 717 CB ASP A 48 9.837 -8.952 6.158 1.00 2.16 C ATOM 718 CG ASP A 48 8.799 -9.892 5.561 1.00 2.56 C ATOM 719 OD1 ASP A 48 9.194 -10.856 4.872 1.00 3.03 O ATOM 720 OD2 ASP A 48 7.591 -9.664 5.783 1.00 3.01 O ATOM 0 H ASP A 48 9.218 -6.688 4.367 1.00 1.32 H new ATOM 0 HA ASP A 48 11.605 -8.113 5.272 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.570 -9.523 6.728 1.00 2.16 H new ATOM 0 HB3 ASP A 48 9.357 -8.265 6.854 1.00 2.16 H new ATOM 725 N SER A 49 11.461 -9.249 3.094 1.00 1.59 N ATOM 726 CA SER A 49 11.424 -9.937 1.808 1.00 2.11 C ATOM 727 C SER A 49 12.727 -10.688 1.570 1.00 1.90 C ATOM 728 O SER A 49 13.770 -10.333 2.122 1.00 2.33 O ATOM 729 CB SER A 49 11.192 -8.932 0.683 1.00 3.03 C ATOM 730 OG SER A 49 11.896 -7.726 0.938 1.00 3.81 O ATOM 0 H SER A 49 12.400 -9.090 3.459 1.00 1.59 H new ATOM 0 HA SER A 49 10.603 -10.654 1.821 1.00 2.11 H new ATOM 0 HB2 SER A 49 11.520 -9.357 -0.265 1.00 3.03 H new ATOM 0 HB3 SER A 49 10.126 -8.724 0.588 1.00 3.03 H new ATOM 0 HG SER A 49 11.914 -7.179 0.125 1.00 3.81 H new ATOM 736 N GLU A 50 12.664 -11.731 0.749 1.00 1.92 N ATOM 737 CA GLU A 50 13.840 -12.535 0.440 1.00 2.27 C ATOM 738 C GLU A 50 14.505 -12.046 -0.840 1.00 2.09 C ATOM 739 O GLU A 50 15.721 -12.156 -1.000 1.00 2.74 O ATOM 740 CB GLU A 50 13.446 -14.001 0.293 1.00 3.06 C ATOM 741 CG GLU A 50 12.404 -14.198 -0.804 1.00 3.83 C ATOM 742 CD GLU A 50 11.962 -12.849 -1.357 1.00 4.43 C ATOM 743 OE1 GLU A 50 12.839 -12.015 -1.663 1.00 4.97 O ATOM 744 OE2 GLU A 50 10.739 -12.630 -1.485 1.00 4.75 O ATOM 0 H GLU A 50 11.809 -12.039 0.285 1.00 1.92 H new ATOM 0 HA GLU A 50 14.551 -12.435 1.260 1.00 2.27 H new ATOM 0 HB2 GLU A 50 14.331 -14.595 0.065 1.00 3.06 H new ATOM 0 HB3 GLU A 50 13.051 -14.368 1.240 1.00 3.06 H new ATOM 0 HG2 GLU A 50 12.820 -14.809 -1.605 1.00 3.83 H new ATOM 0 HG3 GLU A 50 11.544 -14.736 -0.406 1.00 3.83 H new ATOM 751 N LYS A 51 13.702 -11.507 -1.753 1.00 1.76 N ATOM 752 CA LYS A 51 14.216 -11.001 -3.021 1.00 1.77 C ATOM 753 C LYS A 51 13.290 -9.934 -3.589 1.00 1.55 C ATOM 754 O LYS A 51 13.741 -8.871 -4.017 1.00 2.20 O ATOM 755 CB LYS A 51 14.358 -12.146 -4.021 1.00 2.14 C ATOM 756 CG LYS A 51 15.191 -11.732 -5.232 1.00 2.60 C ATOM 757 CD LYS A 51 16.597 -12.323 -5.175 1.00 3.36 C ATOM 758 CE LYS A 51 17.015 -12.907 -6.521 1.00 4.12 C ATOM 759 NZ LYS A 51 18.387 -13.486 -6.456 1.00 4.81 N ATOM 0 HA LYS A 51 15.194 -10.554 -2.842 1.00 1.77 H new ATOM 0 HB2 LYS A 51 14.825 -13.001 -3.532 1.00 2.14 H new ATOM 0 HB3 LYS A 51 13.370 -12.467 -4.350 1.00 2.14 H new ATOM 0 HG2 LYS A 51 14.695 -12.060 -6.145 1.00 2.60 H new ATOM 0 HG3 LYS A 51 15.254 -10.645 -5.276 1.00 2.60 H new ATOM 0 HD2 LYS A 51 17.306 -11.550 -4.877 1.00 3.36 H new ATOM 0 HD3 LYS A 51 16.635 -13.101 -4.413 1.00 3.36 H new ATOM 0 HE2 LYS A 51 16.306 -13.678 -6.821 1.00 4.12 H new ATOM 0 HE3 LYS A 51 16.982 -12.129 -7.284 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 18.644 -13.875 -7.386 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 19.065 -12.743 -6.192 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 18.410 -14.244 -5.745 1.00 4.81 H new ATOM 773 N SER A 52 11.993 -10.223 -3.594 1.00 1.19 N ATOM 774 CA SER A 52 11.003 -9.286 -4.112 1.00 1.04 C ATOM 775 C SER A 52 10.022 -8.882 -3.020 1.00 0.92 C ATOM 776 O SER A 52 9.388 -9.732 -2.396 1.00 1.19 O ATOM 777 CB SER A 52 10.249 -9.918 -5.278 1.00 1.25 C ATOM 778 OG SER A 52 9.425 -8.955 -5.918 1.00 2.03 O ATOM 0 H SER A 52 11.603 -11.099 -3.245 1.00 1.19 H new ATOM 0 HA SER A 52 11.522 -8.393 -4.460 1.00 1.04 H new ATOM 0 HB2 SER A 52 10.958 -10.333 -5.995 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.638 -10.746 -4.918 1.00 1.25 H new ATOM 0 HG SER A 52 8.507 -9.293 -5.970 1.00 2.03 H new ATOM 784 N ASN A 53 9.899 -7.578 -2.796 1.00 0.68 N ATOM 785 CA ASN A 53 8.993 -7.056 -1.784 1.00 0.61 C ATOM 786 C ASN A 53 7.548 -7.241 -2.222 1.00 0.59 C ATOM 787 O ASN A 53 7.278 -7.676 -3.342 1.00 0.99 O ATOM 788 CB ASN A 53 9.272 -5.574 -1.545 1.00 0.60 C ATOM 789 CG ASN A 53 10.747 -5.355 -1.228 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.589 -6.204 -1.518 1.00 1.68 O ATOM 791 ND2 ASN A 53 11.058 -4.211 -0.629 1.00 1.28 N ATOM 0 H ASN A 53 10.418 -6.862 -3.305 1.00 0.68 H new ATOM 0 HA ASN A 53 9.155 -7.606 -0.857 1.00 0.61 H new ATOM 0 HB2 ASN A 53 8.994 -4.998 -2.428 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.658 -5.210 -0.721 1.00 0.60 H new ATOM 0 HD21 ASN A 53 12.029 -4.008 -0.391 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.326 -3.536 -0.407 1.00 1.28 H new ATOM 798 N LEU A 54 6.625 -6.910 -1.331 1.00 0.55 N ATOM 799 CA LEU A 54 5.202 -7.037 -1.617 1.00 0.51 C ATOM 800 C LEU A 54 4.386 -6.219 -0.628 1.00 0.44 C ATOM 801 O LEU A 54 4.156 -6.647 0.504 1.00 0.57 O ATOM 802 CB LEU A 54 4.785 -8.504 -1.539 1.00 0.65 C ATOM 803 CG LEU A 54 4.735 -9.149 -2.921 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.409 -10.518 -2.901 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.295 -9.265 -3.411 1.00 1.49 C ATOM 0 H LEU A 54 6.836 -6.550 -0.400 1.00 0.55 H new ATOM 0 HA LEU A 54 5.015 -6.661 -2.623 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.487 -9.049 -0.908 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.806 -8.580 -1.066 1.00 0.65 H new ATOM 0 HG LEU A 54 5.280 -8.510 -3.615 1.00 0.82 H new ATOM 0 HD11 LEU A 54 5.363 -10.961 -3.896 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.451 -10.406 -2.602 1.00 1.49 H new ATOM 0 HD13 LEU A 54 4.895 -11.166 -2.191 1.00 1.49 H new ATOM 0 HD21 LEU A 54 3.283 -9.727 -4.398 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.722 -9.879 -2.716 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.850 -8.272 -3.470 1.00 1.49 H new ATOM 817 N ILE A 55 3.945 -5.042 -1.057 1.00 0.31 N ATOM 818 CA ILE A 55 3.149 -4.173 -0.201 1.00 0.26 C ATOM 819 C ILE A 55 1.749 -4.746 -0.037 1.00 0.27 C ATOM 820 O ILE A 55 1.205 -5.352 -0.960 1.00 0.34 O ATOM 821 CB ILE A 55 3.078 -2.770 -0.794 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.479 -2.250 -1.102 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.348 -1.819 0.149 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.440 -0.843 -1.692 1.00 0.35 C ATOM 0 H ILE A 55 4.125 -4.669 -1.989 1.00 0.31 H new ATOM 0 HA ILE A 55 3.623 -4.113 0.779 1.00 0.26 H new ATOM 0 HB ILE A 55 2.515 -2.821 -1.726 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.075 -2.246 -0.189 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.972 -2.925 -1.802 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.310 -0.824 -0.295 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.334 -2.181 0.317 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.878 -1.771 1.100 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.456 -0.507 -1.898 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.866 -0.853 -2.619 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.970 -0.163 -0.981 1.00 0.35 H new ATOM 836 N ARG A 56 1.175 -4.565 1.147 1.00 0.29 N ATOM 837 CA ARG A 56 -0.159 -5.079 1.433 1.00 0.32 C ATOM 838 C ARG A 56 -1.171 -3.947 1.551 1.00 0.29 C ATOM 839 O ARG A 56 -1.012 -3.039 2.366 1.00 0.42 O ATOM 840 CB ARG A 56 -0.134 -5.892 2.725 1.00 0.42 C ATOM 841 CG ARG A 56 0.343 -7.321 2.479 1.00 0.55 C ATOM 842 CD ARG A 56 1.543 -7.672 3.353 1.00 0.84 C ATOM 843 NE ARG A 56 2.468 -8.536 2.628 1.00 1.44 N ATOM 844 CZ ARG A 56 3.046 -9.584 3.207 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.305 -10.586 3.661 1.00 2.33 N ATOM 846 NH2 ARG A 56 4.365 -9.633 3.333 1.00 2.19 N ATOM 0 H ARG A 56 1.612 -4.067 1.923 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.463 -5.720 0.605 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.523 -5.408 3.448 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.132 -5.911 3.163 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.471 -8.017 2.682 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.610 -7.440 1.429 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.054 -6.760 3.662 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.205 -8.172 4.261 1.00 0.84 H new ATOM 0 HE ARG A 56 2.677 -8.331 1.651 1.00 1.44 H new ATOM 0 HH11 ARG A 56 1.290 -10.553 3.566 1.00 2.33 H new ATOM 0 HH12 ARG A 56 2.750 -11.389 4.105 1.00 2.33 H new ATOM 0 HH21 ARG A 56 4.939 -8.865 2.985 1.00 2.19 H new ATOM 0 HH22 ARG A 56 4.805 -10.438 3.778 1.00 2.19 H new ATOM 860 N ILE A 57 -2.216 -4.013 0.731 1.00 0.24 N ATOM 861 CA ILE A 57 -3.268 -3.000 0.736 1.00 0.24 C ATOM 862 C ILE A 57 -4.617 -3.652 1.021 1.00 0.26 C ATOM 863 O ILE A 57 -4.844 -4.806 0.656 1.00 0.40 O ATOM 864 CB ILE A 57 -3.329 -2.270 -0.609 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.946 -2.148 -1.241 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.959 -0.890 -0.446 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.513 -3.460 -1.885 1.00 1.32 C ATOM 0 H ILE A 57 -2.357 -4.761 0.052 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.039 -2.275 1.517 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.953 -2.864 -1.277 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.955 -1.358 -1.992 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.221 -1.857 -0.481 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.993 -0.389 -1.413 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.972 -0.996 -0.057 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.363 -0.298 0.249 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.524 -3.340 -2.326 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.480 -4.243 -1.128 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -2.226 -3.736 -2.662 1.00 1.32 H new ATOM 879 N GLU A 58 -5.511 -2.914 1.672 1.00 0.23 N ATOM 880 CA GLU A 58 -6.833 -3.437 1.997 1.00 0.25 C ATOM 881 C GLU A 58 -7.761 -2.328 2.468 1.00 0.24 C ATOM 882 O GLU A 58 -7.389 -1.496 3.296 1.00 0.26 O ATOM 883 CB GLU A 58 -6.716 -4.502 3.080 1.00 0.32 C ATOM 884 CG GLU A 58 -8.063 -5.159 3.371 1.00 0.37 C ATOM 885 CD GLU A 58 -8.270 -5.303 4.873 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.280 -5.175 5.624 1.00 1.47 O ATOM 887 OE2 GLU A 58 -9.420 -5.543 5.296 1.00 1.56 O ATOM 0 H GLU A 58 -5.345 -1.957 1.983 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.255 -3.877 1.094 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.000 -5.262 2.768 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.325 -4.052 3.993 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.867 -4.560 2.942 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.107 -6.139 2.896 1.00 0.37 H new ATOM 894 N GLY A 59 -8.974 -2.331 1.932 1.00 0.25 N ATOM 895 CA GLY A 59 -9.982 -1.341 2.281 1.00 0.27 C ATOM 896 C GLY A 59 -11.370 -1.925 2.081 1.00 0.39 C ATOM 897 O GLY A 59 -11.761 -2.867 2.771 1.00 0.59 O ATOM 0 H GLY A 59 -9.286 -3.018 1.245 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.855 -1.029 3.318 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.860 -0.451 1.663 1.00 0.27 H new ATOM 901 N ASP A 60 -12.109 -1.379 1.122 1.00 0.53 N ATOM 902 CA ASP A 60 -13.446 -1.874 0.833 1.00 0.70 C ATOM 903 C ASP A 60 -14.002 -1.249 -0.440 1.00 0.59 C ATOM 904 O ASP A 60 -14.217 -1.940 -1.435 1.00 1.04 O ATOM 905 CB ASP A 60 -14.377 -1.597 2.007 1.00 1.22 C ATOM 906 CG ASP A 60 -14.767 -2.901 2.694 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.933 -3.918 1.988 1.00 2.31 O ATOM 908 OD2 ASP A 60 -14.905 -2.902 3.934 1.00 2.66 O ATOM 0 H ASP A 60 -11.807 -0.600 0.537 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.380 -2.951 0.679 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.886 -0.935 2.721 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.271 -1.081 1.657 1.00 1.22 H new ATOM 913 N PRO A 61 -14.242 0.072 -0.434 1.00 0.72 N ATOM 914 CA PRO A 61 -14.775 0.767 -1.609 1.00 1.14 C ATOM 915 C PRO A 61 -13.728 0.897 -2.706 1.00 0.88 C ATOM 916 O PRO A 61 -12.677 0.258 -2.652 1.00 1.22 O ATOM 917 CB PRO A 61 -15.181 2.134 -1.065 1.00 1.82 C ATOM 918 CG PRO A 61 -14.323 2.346 0.137 1.00 1.82 C ATOM 919 CD PRO A 61 -14.013 0.984 0.701 1.00 1.17 C ATOM 0 HA PRO A 61 -15.605 0.232 -2.071 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.021 2.917 -1.807 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.239 2.155 -0.803 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.406 2.870 -0.131 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.838 2.961 0.875 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.986 0.925 1.061 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.661 0.743 1.544 1.00 1.17 H new ATOM 927 N GLN A 62 -14.015 1.734 -3.694 1.00 0.64 N ATOM 928 CA GLN A 62 -13.090 1.954 -4.797 1.00 0.47 C ATOM 929 C GLN A 62 -11.769 2.529 -4.289 1.00 0.41 C ATOM 930 O GLN A 62 -10.765 2.518 -5.002 1.00 0.47 O ATOM 931 CB GLN A 62 -13.710 2.908 -5.813 1.00 0.69 C ATOM 932 CG GLN A 62 -14.576 2.166 -6.826 1.00 0.85 C ATOM 933 CD GLN A 62 -15.327 3.158 -7.703 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.509 3.425 -7.486 1.00 2.14 O ATOM 935 NE2 GLN A 62 -14.639 3.707 -8.698 1.00 1.73 N ATOM 0 H GLN A 62 -14.880 2.271 -3.754 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.891 0.995 -5.275 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.314 3.652 -5.293 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.920 3.448 -6.335 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -13.952 1.522 -7.445 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.284 1.520 -6.306 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -13.661 3.456 -8.841 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -15.089 4.379 -9.319 1.00 1.73 H new ATOM 944 N GLY A 63 -11.777 3.047 -3.060 1.00 0.37 N ATOM 945 CA GLY A 63 -10.587 3.641 -2.464 1.00 0.34 C ATOM 946 C GLY A 63 -9.423 2.657 -2.396 1.00 0.27 C ATOM 947 O GLY A 63 -8.290 3.015 -2.719 1.00 0.29 O ATOM 0 H GLY A 63 -12.600 3.065 -2.458 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.289 4.514 -3.045 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.823 3.992 -1.459 1.00 0.34 H new ATOM 951 N VAL A 64 -9.688 1.427 -1.960 1.00 0.24 N ATOM 952 CA VAL A 64 -8.627 0.431 -1.846 1.00 0.21 C ATOM 953 C VAL A 64 -7.999 0.146 -3.208 1.00 0.24 C ATOM 954 O VAL A 64 -6.776 0.066 -3.330 1.00 0.28 O ATOM 955 CB VAL A 64 -9.147 -0.861 -1.190 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.901 -1.755 -2.170 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.987 -1.625 -0.565 1.00 0.26 C ATOM 0 H VAL A 64 -10.614 1.100 -1.684 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.850 0.839 -1.199 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.858 -0.569 -0.417 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.245 -2.651 -1.654 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.759 -1.214 -2.570 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.238 -2.039 -2.988 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.360 -2.538 -0.102 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.261 -1.880 -1.337 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.508 -1.004 0.192 1.00 0.26 H new ATOM 967 N GLN A 65 -8.835 -0.002 -4.231 1.00 0.25 N ATOM 968 CA GLN A 65 -8.346 -0.273 -5.579 1.00 0.30 C ATOM 969 C GLN A 65 -7.702 0.976 -6.166 1.00 0.30 C ATOM 970 O GLN A 65 -6.755 0.890 -6.948 1.00 0.34 O ATOM 971 CB GLN A 65 -9.492 -0.737 -6.471 1.00 0.37 C ATOM 972 CG GLN A 65 -10.537 0.358 -6.661 1.00 0.42 C ATOM 973 CD GLN A 65 -11.469 0.005 -7.813 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.123 -1.038 -7.800 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.530 0.877 -8.812 1.00 0.82 N ATOM 0 H GLN A 65 -9.850 0.061 -4.153 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.598 -1.064 -5.526 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.099 -1.037 -7.442 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.962 -1.617 -6.032 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.113 0.484 -5.744 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.044 1.309 -6.861 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -10.970 1.729 -8.780 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.137 0.695 -9.611 1.00 0.82 H new ATOM 984 N GLN A 66 -8.220 2.137 -5.779 1.00 0.29 N ATOM 985 CA GLN A 66 -7.695 3.409 -6.259 1.00 0.31 C ATOM 986 C GLN A 66 -6.300 3.649 -5.700 1.00 0.29 C ATOM 987 O GLN A 66 -5.380 4.011 -6.434 1.00 0.36 O ATOM 988 CB GLN A 66 -8.624 4.545 -5.845 1.00 0.35 C ATOM 989 CG GLN A 66 -9.802 4.686 -6.804 1.00 0.79 C ATOM 990 CD GLN A 66 -9.771 6.048 -7.483 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.330 6.175 -8.626 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.242 7.070 -6.780 1.00 1.31 N ATOM 0 H GLN A 66 -9.005 2.223 -5.133 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.636 3.375 -7.347 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -8.995 4.363 -4.836 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.065 5.480 -5.815 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.765 3.897 -7.555 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.739 4.564 -6.260 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -10.598 6.919 -5.836 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -10.248 8.007 -7.184 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.148 3.442 -4.396 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.863 3.629 -3.735 1.00 0.27 C ATOM 1003 C ALA A 67 -3.895 2.531 -4.151 1.00 0.26 C ATOM 1004 O ALA A 67 -2.704 2.778 -4.339 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.047 3.614 -2.220 1.00 0.29 C ATOM 0 H ALA A 67 -6.901 3.144 -3.776 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.452 4.594 -4.033 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.081 3.754 -1.735 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.721 4.419 -1.927 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.471 2.657 -1.914 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.417 1.317 -4.299 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.603 0.178 -4.702 1.00 0.28 C ATOM 1013 C LYS A 68 -2.851 0.498 -5.986 1.00 0.31 C ATOM 1014 O LYS A 68 -1.631 0.345 -6.059 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.488 -1.048 -4.907 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.685 -2.242 -5.412 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.173 -2.707 -6.781 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.063 -3.397 -7.569 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.449 -3.588 -8.996 1.00 0.88 N ATOM 0 H LYS A 68 -5.401 1.098 -4.145 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.879 -0.034 -3.915 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.975 -1.308 -3.967 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.278 -0.812 -5.620 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.631 -1.973 -5.473 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.764 -3.062 -4.699 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.011 -3.393 -6.655 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.543 -1.851 -7.346 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.151 -2.802 -7.513 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.841 -4.364 -7.118 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -2.870 -4.344 -9.414 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.454 -3.850 -9.052 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.293 -2.703 -9.519 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.585 0.952 -6.997 1.00 0.36 N ATOM 1034 CA ARG A 69 -2.989 1.304 -8.279 1.00 0.43 C ATOM 1035 C ARG A 69 -2.162 2.576 -8.142 1.00 0.42 C ATOM 1036 O ARG A 69 -1.081 2.691 -8.717 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.079 1.502 -9.328 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.568 0.171 -9.891 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.731 0.227 -11.408 1.00 1.36 C ATOM 1040 NE ARG A 69 -3.427 0.301 -12.057 1.00 1.81 N ATOM 1041 CZ ARG A 69 -3.226 -0.180 -13.279 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -4.252 -0.365 -14.098 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -1.998 -0.475 -13.683 1.00 2.98 N ATOM 0 H ARG A 69 -4.595 1.085 -6.952 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.336 0.491 -8.596 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -4.917 2.040 -8.885 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -3.696 2.121 -10.139 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.861 -0.617 -9.629 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -5.521 -0.091 -9.432 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.268 -0.656 -11.755 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.331 1.094 -11.684 1.00 1.36 H new ATOM 0 HE ARG A 69 -2.649 0.734 -11.559 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -5.198 -0.138 -13.790 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -4.096 -0.734 -15.036 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -1.207 -0.333 -13.055 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -1.845 -0.844 -14.621 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.679 3.528 -7.372 1.00 0.40 N ATOM 1058 CA GLU A 70 -1.991 4.794 -7.150 1.00 0.43 C ATOM 1059 C GLU A 70 -0.631 4.555 -6.505 1.00 0.44 C ATOM 1060 O GLU A 70 0.285 5.363 -6.649 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.838 5.698 -6.257 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.408 7.159 -6.365 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.382 7.932 -7.244 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.899 7.346 -8.218 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -3.627 9.123 -6.957 1.00 1.50 O ATOM 0 H GLU A 70 -3.574 3.446 -6.890 1.00 0.40 H new ATOM 0 HA GLU A 70 -1.840 5.282 -8.113 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.888 5.606 -6.536 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.754 5.369 -5.221 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.368 7.608 -5.373 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.403 7.220 -6.783 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.507 3.437 -5.794 1.00 0.40 N ATOM 1073 CA LEU A 71 0.741 3.086 -5.125 1.00 0.47 C ATOM 1074 C LEU A 71 1.701 2.416 -6.099 1.00 0.52 C ATOM 1075 O LEU A 71 2.879 2.765 -6.164 1.00 0.60 O ATOM 1076 CB LEU A 71 0.456 2.150 -3.955 1.00 0.51 C ATOM 1077 CG LEU A 71 0.098 2.927 -2.691 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.499 1.999 -1.638 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.323 3.653 -2.141 1.00 1.15 C ATOM 0 H LEU A 71 -1.258 2.758 -5.667 1.00 0.40 H new ATOM 0 HA LEU A 71 1.204 4.000 -4.753 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.363 1.480 -4.215 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.330 1.527 -3.765 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.653 3.674 -2.950 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.747 2.573 -0.745 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.402 1.534 -2.033 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.225 1.225 -1.382 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.047 4.201 -1.240 1.00 1.15 H new ATOM 0 HD22 LEU A 71 2.099 2.926 -1.900 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.699 4.351 -2.889 1.00 1.15 H new ATOM 1091 N LEU A 72 1.191 1.450 -6.854 1.00 0.52 N ATOM 1092 CA LEU A 72 2.005 0.730 -7.825 1.00 0.63 C ATOM 1093 C LEU A 72 2.419 1.648 -8.970 1.00 0.67 C ATOM 1094 O LEU A 72 3.420 1.402 -9.641 1.00 0.83 O ATOM 1095 CB LEU A 72 1.226 -0.462 -8.374 1.00 0.66 C ATOM 1096 CG LEU A 72 2.112 -1.697 -8.516 1.00 0.88 C ATOM 1097 CD1 LEU A 72 1.296 -2.892 -8.999 1.00 1.04 C ATOM 1098 CD2 LEU A 72 3.276 -1.422 -9.462 1.00 1.99 C ATOM 0 H LEU A 72 0.218 1.148 -6.812 1.00 0.52 H new ATOM 0 HA LEU A 72 2.905 0.374 -7.323 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.391 -0.687 -7.711 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.802 -0.204 -9.345 1.00 0.66 H new ATOM 0 HG LEU A 72 2.521 -1.937 -7.535 1.00 0.88 H new ATOM 0 HD11 LEU A 72 1.946 -3.762 -9.094 1.00 1.04 H new ATOM 0 HD12 LEU A 72 0.505 -3.107 -8.281 1.00 1.04 H new ATOM 0 HD13 LEU A 72 0.853 -2.662 -9.968 1.00 1.04 H new ATOM 0 HD21 LEU A 72 3.894 -2.316 -9.548 1.00 1.99 H new ATOM 0 HD22 LEU A 72 2.890 -1.152 -10.445 1.00 1.99 H new ATOM 0 HD23 LEU A 72 3.877 -0.602 -9.070 1.00 1.99 H new ATOM 1110 N GLU A 73 1.642 2.705 -9.190 1.00 0.64 N ATOM 1111 CA GLU A 73 1.929 3.656 -10.259 1.00 0.74 C ATOM 1112 C GLU A 73 2.808 4.792 -9.751 1.00 0.71 C ATOM 1113 O GLU A 73 3.902 5.021 -10.268 1.00 0.88 O ATOM 1114 CB GLU A 73 0.626 4.220 -10.817 1.00 0.82 C ATOM 1115 CG GLU A 73 0.000 3.279 -11.842 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.057 3.948 -13.209 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -0.933 4.814 -13.411 1.00 2.01 O ATOM 1118 OE2 GLU A 73 0.774 3.605 -14.075 1.00 2.05 O ATOM 0 H GLU A 73 0.810 2.924 -8.643 1.00 0.64 H new ATOM 0 HA GLU A 73 2.465 3.132 -11.051 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.077 4.390 -10.001 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.817 5.188 -11.280 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.581 2.359 -11.904 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.005 3.000 -11.524 1.00 1.00 H new ATOM 1125 N LEU A 74 2.325 5.505 -8.739 1.00 0.64 N ATOM 1126 CA LEU A 74 3.068 6.622 -8.165 1.00 0.71 C ATOM 1127 C LEU A 74 3.839 6.178 -6.930 1.00 0.82 C ATOM 1128 O LEU A 74 5.017 6.501 -6.772 1.00 1.13 O ATOM 1129 CB LEU A 74 2.110 7.753 -7.799 1.00 0.85 C ATOM 1130 CG LEU A 74 1.288 8.204 -9.001 1.00 0.99 C ATOM 1131 CD1 LEU A 74 0.242 9.234 -8.582 1.00 1.19 C ATOM 1132 CD2 LEU A 74 2.193 8.764 -10.095 1.00 1.32 C ATOM 0 H LEU A 74 1.422 5.329 -8.299 1.00 0.64 H new ATOM 0 HA LEU A 74 3.780 6.980 -8.909 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.442 7.421 -7.004 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.676 8.598 -7.407 1.00 0.85 H new ATOM 0 HG LEU A 74 0.767 7.335 -9.404 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.334 9.543 -9.454 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.427 8.793 -7.843 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.739 10.102 -8.149 1.00 1.19 H new ATOM 0 HD21 LEU A 74 1.586 9.080 -10.943 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.747 9.619 -9.707 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.894 7.994 -10.417 1.00 1.32 H new ATOM 1144 N ALA A 75 3.169 5.438 -6.053 1.00 0.78 N ATOM 1145 CA ALA A 75 3.792 4.949 -4.829 1.00 0.99 C ATOM 1146 C ALA A 75 4.207 6.114 -3.939 1.00 1.70 C ATOM 1147 O ALA A 75 5.216 6.043 -3.238 1.00 2.16 O ATOM 1148 CB ALA A 75 5.009 4.095 -5.167 1.00 1.14 C ATOM 0 H ALA A 75 2.193 5.164 -6.168 1.00 0.78 H new ATOM 0 HA ALA A 75 3.066 4.340 -4.291 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.468 3.734 -4.246 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.700 3.245 -5.775 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.731 4.694 -5.721 1.00 1.14 H new ATOM 1154 N SER A 76 3.423 7.187 -3.973 1.00 2.17 N ATOM 1155 CA SER A 76 3.710 8.371 -3.168 1.00 3.01 C ATOM 1156 C SER A 76 2.523 8.712 -2.276 1.00 3.57 C ATOM 1157 O SER A 76 2.747 9.174 -1.138 1.00 4.23 O ATOM 1158 CB SER A 76 4.031 9.552 -4.077 1.00 3.63 C ATOM 1159 OG SER A 76 2.850 10.026 -4.708 1.00 4.36 O ATOM 1160 OXT SER A 76 1.371 8.517 -2.718 1.00 3.89 O ATOM 0 H SER A 76 2.584 7.262 -4.549 1.00 2.17 H new ATOM 0 HA SER A 76 4.572 8.160 -2.535 1.00 3.01 H new ATOM 0 HB2 SER A 76 4.487 10.353 -3.496 1.00 3.63 H new ATOM 0 HB3 SER A 76 4.758 9.252 -4.831 1.00 3.63 H new ATOM 0 HG SER A 76 3.071 10.785 -5.287 1.00 4.36 H new TER 1166 SER A 76