USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=10 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 21 HIS : no HE2:sc= -11.1! C(o=-11!,f=-14!) USER MOD Set 1.2: A 53 ASN : amide:sc= -0.173 X(o=-11,f=-12) USER MOD Single : A 7 ASN : amide:sc= -0.371 X(o=-0.37,f=0) 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= -0.798 K(o=-0.8,f=-0.04) USER MOD Single : A 18 HIS : no HE2:sc= -0.15 K(o=-0.15,f=-1.9) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-3.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00404 USER MOD Single : A 31 ASN : amide:sc= -0.976 K(o=-0.98,f=-2!) USER MOD Single : A 33 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.013) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.0053) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 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 49 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 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.16) USER MOD Single : A 66 GLN : amide:sc= -0.0115 K(o=-0.011,f=-1.4!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -21.556 -9.993 5.216 1.00 6.51 N ATOM 2 CA ILE A 6 -21.044 -9.687 6.546 1.00 5.95 C ATOM 3 C ILE A 6 -19.718 -8.942 6.450 1.00 5.14 C ATOM 4 O ILE A 6 -19.458 -8.017 7.220 1.00 5.46 O ATOM 5 CB ILE A 6 -20.857 -10.974 7.343 1.00 6.67 C ATOM 6 CG1 ILE A 6 -22.165 -11.760 7.409 1.00 7.44 C ATOM 7 CG2 ILE A 6 -20.341 -10.673 8.746 1.00 6.84 C ATOM 8 CD1 ILE A 6 -21.930 -13.207 7.834 1.00 8.10 C ATOM 0 HA ILE A 6 -21.767 -9.050 7.056 1.00 5.95 H new ATOM 0 HB ILE A 6 -20.113 -11.585 6.831 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -22.844 -11.279 8.113 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -22.651 -11.741 6.434 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -20.215 -11.606 9.295 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -19.382 -10.160 8.679 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -21.056 -10.038 9.268 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -22.883 -13.735 7.870 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -21.272 -13.695 7.115 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -21.467 -13.226 8.821 1.00 8.10 H new ATOM 20 N ASN A 7 -18.882 -9.354 5.502 1.00 4.48 N ATOM 21 CA ASN A 7 -17.581 -8.728 5.303 1.00 4.06 C ATOM 22 C ASN A 7 -17.667 -7.642 4.238 1.00 3.11 C ATOM 23 O ASN A 7 -18.072 -7.902 3.105 1.00 3.46 O ATOM 24 CB ASN A 7 -16.555 -9.780 4.891 1.00 4.82 C ATOM 25 CG ASN A 7 -15.864 -10.356 6.121 1.00 5.60 C ATOM 26 OD1 ASN A 7 -14.637 -10.447 6.170 1.00 5.87 O ATOM 27 ND2 ASN A 7 -16.654 -10.744 7.116 1.00 6.34 N ATOM 0 H ASN A 7 -19.083 -10.120 4.859 1.00 4.48 H new ATOM 0 HA ASN A 7 -17.269 -8.270 6.242 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -17.046 -10.578 4.334 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -15.816 -9.335 4.225 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -16.249 -11.137 7.966 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -17.666 -10.649 7.030 1.00 6.34 H new ATOM 34 N ARG A 8 -17.283 -6.425 4.608 1.00 2.49 N ATOM 35 CA ARG A 8 -17.316 -5.298 3.683 1.00 2.11 C ATOM 36 C ARG A 8 -15.923 -4.707 3.506 1.00 1.69 C ATOM 37 O ARG A 8 -15.671 -3.565 3.889 1.00 2.38 O ATOM 38 CB ARG A 8 -18.271 -4.227 4.202 1.00 2.95 C ATOM 39 CG ARG A 8 -19.718 -4.711 4.194 1.00 3.61 C ATOM 40 CD ARG A 8 -20.173 -5.141 5.586 1.00 4.57 C ATOM 41 NE ARG A 8 -21.446 -4.516 5.921 1.00 5.39 N ATOM 42 CZ ARG A 8 -22.603 -5.022 5.508 1.00 6.19 C ATOM 43 NH1 ARG A 8 -22.849 -6.318 5.645 1.00 6.68 N ATOM 44 NH2 ARG A 8 -23.515 -4.234 4.958 1.00 6.74 N ATOM 0 H ARG A 8 -16.945 -6.194 5.542 1.00 2.49 H new ATOM 0 HA ARG A 8 -17.667 -5.656 2.715 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -17.987 -3.946 5.216 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -18.183 -3.332 3.587 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -20.367 -3.915 3.828 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -19.819 -5.548 3.503 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -20.272 -6.226 5.624 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -19.420 -4.864 6.323 1.00 4.57 H new ATOM 0 HE ARG A 8 -21.449 -3.668 6.487 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -22.149 -6.928 6.068 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -23.738 -6.705 5.327 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -23.330 -3.237 4.851 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -24.403 -4.625 4.642 1.00 6.74 H new ATOM 58 N MET A 9 -15.023 -5.492 2.923 1.00 1.18 N ATOM 59 CA MET A 9 -13.653 -5.045 2.694 1.00 0.82 C ATOM 60 C MET A 9 -13.037 -5.791 1.516 1.00 0.72 C ATOM 61 O MET A 9 -13.536 -6.836 1.100 1.00 0.97 O ATOM 62 CB MET A 9 -12.813 -5.267 3.947 1.00 1.08 C ATOM 63 CG MET A 9 -12.788 -6.737 4.357 1.00 1.61 C ATOM 64 SD MET A 9 -14.215 -7.201 5.353 1.00 2.27 S ATOM 65 CE MET A 9 -13.541 -7.035 7.014 1.00 2.82 C ATOM 0 H MET A 9 -15.217 -6.440 2.601 1.00 1.18 H new ATOM 0 HA MET A 9 -13.671 -3.980 2.461 1.00 0.82 H new ATOM 0 HB2 MET A 9 -11.795 -4.922 3.768 1.00 1.08 H new ATOM 0 HB3 MET A 9 -13.214 -4.668 4.765 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.755 -7.360 3.463 1.00 1.61 H new ATOM 0 HG3 MET A 9 -11.876 -6.938 4.919 1.00 1.61 H new ATOM 0 HE1 MET A 9 -14.308 -7.289 7.745 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.691 -7.708 7.131 1.00 2.82 H new ATOM 0 HE3 MET A 9 -13.215 -6.007 7.173 1.00 2.82 H new ATOM 75 N ASP A 10 -11.950 -5.244 0.983 1.00 0.49 N ATOM 76 CA ASP A 10 -11.262 -5.854 -0.150 1.00 0.42 C ATOM 77 C ASP A 10 -9.757 -5.653 -0.029 1.00 0.38 C ATOM 78 O ASP A 10 -9.280 -4.524 0.081 1.00 0.54 O ATOM 79 CB ASP A 10 -11.760 -5.238 -1.455 1.00 0.44 C ATOM 80 CG ASP A 10 -13.138 -5.784 -1.806 1.00 0.86 C ATOM 81 OD1 ASP A 10 -14.142 -5.238 -1.303 1.00 1.53 O ATOM 82 OD2 ASP A 10 -13.212 -6.757 -2.585 1.00 1.55 O ATOM 0 H ASP A 10 -11.526 -4.379 1.317 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.475 -6.923 -0.151 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.805 -4.153 -1.359 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.059 -5.458 -2.260 1.00 0.44 H new ATOM 87 N TYR A 11 -9.012 -6.754 -0.052 1.00 0.40 N ATOM 88 CA TYR A 11 -7.560 -6.691 0.053 1.00 0.37 C ATOM 89 C TYR A 11 -6.910 -7.048 -1.279 1.00 0.34 C ATOM 90 O TYR A 11 -7.576 -7.526 -2.197 1.00 0.38 O ATOM 91 CB TYR A 11 -7.068 -7.635 1.148 1.00 0.42 C ATOM 92 CG TYR A 11 -7.185 -9.094 0.778 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.393 -9.752 0.926 1.00 0.54 C ATOM 94 CD2 TYR A 11 -6.087 -9.777 0.286 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.503 -11.088 0.584 1.00 0.63 C ATOM 96 CE2 TYR A 11 -6.197 -11.114 -0.055 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.396 -11.766 0.104 1.00 0.67 C ATOM 98 OH TYR A 11 -7.513 -13.093 -0.243 1.00 0.78 O ATOM 0 H TYR A 11 -9.389 -7.697 -0.142 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.278 -5.671 0.314 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.026 -7.407 1.373 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.638 -7.452 2.059 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.252 -9.221 1.309 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -5.143 -9.266 0.168 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.448 -11.599 0.691 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -5.341 -11.644 -0.446 1.00 0.67 H new ATOM 0 HH TYR A 11 -6.648 -13.425 -0.563 1.00 0.78 H new ATOM 108 N VAL A 12 -5.608 -6.808 -1.375 1.00 0.34 N ATOM 109 CA VAL A 12 -4.862 -7.096 -2.592 1.00 0.34 C ATOM 110 C VAL A 12 -3.397 -6.716 -2.414 1.00 0.35 C ATOM 111 O VAL A 12 -3.078 -5.570 -2.100 1.00 0.51 O ATOM 112 CB VAL A 12 -5.462 -6.324 -3.763 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.433 -4.823 -3.488 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.729 -6.652 -5.060 1.00 0.81 C ATOM 0 H VAL A 12 -5.046 -6.413 -0.621 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.924 -8.164 -2.799 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.502 -6.630 -3.877 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.865 -4.290 -4.335 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -6.011 -4.606 -2.589 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.402 -4.499 -3.343 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -5.174 -6.090 -5.881 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.678 -6.381 -4.962 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.811 -7.720 -5.264 1.00 0.81 H new ATOM 124 N GLU A 13 -2.510 -7.685 -2.611 1.00 0.49 N ATOM 125 CA GLU A 13 -1.078 -7.452 -2.466 1.00 0.54 C ATOM 126 C GLU A 13 -0.472 -6.965 -3.774 1.00 0.50 C ATOM 127 O GLU A 13 -0.910 -7.351 -4.857 1.00 0.60 O ATOM 128 CB GLU A 13 -0.386 -8.737 -2.023 1.00 0.67 C ATOM 129 CG GLU A 13 -1.068 -9.352 -0.805 1.00 1.05 C ATOM 130 CD GLU A 13 -0.031 -9.949 0.137 1.00 1.43 C ATOM 131 OE1 GLU A 13 1.092 -9.407 0.207 1.00 2.05 O ATOM 132 OE2 GLU A 13 -0.342 -10.960 0.803 1.00 1.97 O ATOM 0 H GLU A 13 -2.758 -8.640 -2.872 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.931 -6.681 -1.710 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.390 -9.454 -2.844 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.658 -8.527 -1.789 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.649 -8.592 -0.283 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.768 -10.125 -1.123 1.00 1.05 H new ATOM 139 N ILE A 14 0.547 -6.117 -3.664 1.00 0.48 N ATOM 140 CA ILE A 14 1.226 -5.576 -4.834 1.00 0.49 C ATOM 141 C ILE A 14 2.725 -5.840 -4.743 1.00 0.48 C ATOM 142 O ILE A 14 3.359 -5.540 -3.730 1.00 0.43 O ATOM 143 CB ILE A 14 0.960 -4.077 -4.949 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.535 -3.331 -3.746 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.535 -3.803 -5.084 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.268 -1.831 -3.835 1.00 0.63 C ATOM 0 H ILE A 14 0.920 -5.790 -2.773 1.00 0.48 H new ATOM 0 HA ILE A 14 0.838 -6.071 -5.725 1.00 0.49 H new ATOM 0 HB ILE A 14 1.458 -3.713 -5.847 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.097 -3.725 -2.829 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.609 -3.507 -3.687 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.702 -2.729 -5.165 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.916 -4.298 -5.977 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.056 -4.186 -4.207 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.691 -1.334 -2.962 1.00 0.63 H new ATOM 0 HD12 ILE A 14 1.729 -1.432 -4.739 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.193 -1.654 -3.867 1.00 0.63 H new ATOM 158 N ASN A 15 3.282 -6.414 -5.803 1.00 0.59 N ATOM 159 CA ASN A 15 4.704 -6.733 -5.846 1.00 0.62 C ATOM 160 C ASN A 15 5.541 -5.464 -5.940 1.00 0.60 C ATOM 161 O ASN A 15 5.185 -4.523 -6.651 1.00 0.78 O ATOM 162 CB ASN A 15 4.997 -7.636 -7.040 1.00 0.79 C ATOM 163 CG ASN A 15 5.975 -8.734 -6.646 1.00 1.31 C ATOM 164 OD1 ASN A 15 7.090 -8.803 -7.162 1.00 2.20 O ATOM 165 ND2 ASN A 15 5.556 -9.599 -5.728 1.00 1.54 N ATOM 0 H ASN A 15 2.769 -6.669 -6.647 1.00 0.59 H new ATOM 0 HA ASN A 15 4.968 -7.253 -4.925 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.071 -8.079 -7.405 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.412 -7.046 -7.857 1.00 0.79 H new ATOM 0 HD21 ASN A 15 6.167 -10.357 -5.425 1.00 1.54 H new ATOM 0 HD22 ASN A 15 4.623 -9.504 -5.326 1.00 1.54 H new ATOM 172 N ILE A 16 6.658 -5.447 -5.221 1.00 0.49 N ATOM 173 CA ILE A 16 7.556 -4.297 -5.220 1.00 0.49 C ATOM 174 C ILE A 16 9.008 -4.758 -5.223 1.00 0.56 C ATOM 175 O ILE A 16 9.339 -5.802 -4.660 1.00 0.66 O ATOM 176 CB ILE A 16 7.292 -3.430 -3.996 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.830 -2.990 -3.954 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.216 -2.217 -3.982 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.494 -2.048 -5.106 1.00 0.84 C ATOM 0 H ILE A 16 6.964 -6.219 -4.629 1.00 0.49 H new ATOM 0 HA ILE A 16 7.371 -3.711 -6.120 1.00 0.49 H new ATOM 0 HB ILE A 16 7.498 -4.026 -3.107 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.184 -3.867 -4.000 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.626 -2.493 -3.006 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.009 -1.612 -3.099 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.254 -2.550 -3.959 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.046 -1.620 -4.878 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.446 -1.756 -5.043 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.122 -1.159 -5.045 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.674 -2.554 -6.054 1.00 0.84 H new ATOM 191 N ASP A 17 9.871 -3.976 -5.861 1.00 0.63 N ATOM 192 CA ASP A 17 11.289 -4.306 -5.939 1.00 0.75 C ATOM 193 C ASP A 17 11.954 -4.142 -4.578 1.00 1.00 C ATOM 194 O ASP A 17 12.309 -5.126 -3.929 1.00 1.75 O ATOM 195 CB ASP A 17 11.978 -3.412 -6.965 1.00 1.27 C ATOM 196 CG ASP A 17 12.037 -4.110 -8.317 1.00 1.63 C ATOM 197 OD1 ASP A 17 12.995 -4.878 -8.549 1.00 2.16 O ATOM 198 OD2 ASP A 17 11.126 -3.890 -9.141 1.00 2.21 O ATOM 0 H ASP A 17 9.613 -3.109 -6.332 1.00 0.63 H new ATOM 0 HA ASP A 17 11.384 -5.347 -6.249 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.438 -2.470 -7.058 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.986 -3.170 -6.628 1.00 1.27 H new ATOM 203 N HIS A 18 12.123 -2.896 -4.152 1.00 1.27 N ATOM 204 CA HIS A 18 12.750 -2.608 -2.867 1.00 1.85 C ATOM 205 C HIS A 18 12.745 -1.113 -2.584 1.00 1.32 C ATOM 206 O HIS A 18 12.341 -0.676 -1.506 1.00 2.00 O ATOM 207 CB HIS A 18 14.183 -3.127 -2.863 1.00 2.83 C ATOM 208 CG HIS A 18 14.741 -3.283 -1.482 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.205 -2.666 -0.381 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.798 -3.990 -1.007 1.00 4.16 C ATOM 211 CE1 HIS A 18 14.882 -2.966 0.702 1.00 4.73 C ATOM 212 NE2 HIS A 18 15.869 -3.778 0.358 1.00 4.84 N ATOM 0 H HIS A 18 11.835 -2.070 -4.676 1.00 1.27 H new ATOM 0 HA HIS A 18 12.178 -3.109 -2.086 1.00 1.85 H new ATOM 0 HB2 HIS A 18 14.217 -4.089 -3.374 1.00 2.83 H new ATOM 0 HB3 HIS A 18 14.814 -2.442 -3.429 1.00 2.83 H new ATOM 0 HD1 HIS A 18 13.388 -2.055 -0.401 1.00 4.01 H new ATOM 0 HD2 HIS A 18 16.464 -4.608 -1.591 1.00 4.16 H new ATOM 0 HE1 HIS A 18 14.671 -2.612 1.700 1.00 4.73 H new ATOM 220 N LYS A 19 13.199 -0.329 -3.556 1.00 0.82 N ATOM 221 CA LYS A 19 13.252 1.122 -3.413 1.00 0.84 C ATOM 222 C LYS A 19 11.848 1.718 -3.451 1.00 0.77 C ATOM 223 O LYS A 19 11.528 2.516 -4.332 1.00 1.13 O ATOM 224 CB LYS A 19 14.102 1.723 -4.528 1.00 1.47 C ATOM 225 CG LYS A 19 15.585 1.725 -4.168 1.00 1.97 C ATOM 226 CD LYS A 19 16.357 2.767 -4.973 1.00 2.72 C ATOM 227 CE LYS A 19 16.015 4.186 -4.528 1.00 3.37 C ATOM 228 NZ LYS A 19 16.562 5.198 -5.473 1.00 4.03 N ATOM 0 H LYS A 19 13.537 -0.675 -4.454 1.00 0.82 H new ATOM 0 HA LYS A 19 13.703 1.359 -2.449 1.00 0.84 H new ATOM 0 HB2 LYS A 19 13.951 1.156 -5.447 1.00 1.47 H new ATOM 0 HB3 LYS A 19 13.774 2.743 -4.726 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.701 1.928 -3.103 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.006 0.737 -4.352 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.427 2.597 -4.858 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.128 2.652 -6.032 1.00 2.72 H new ATOM 0 HE2 LYS A 19 14.933 4.297 -4.460 1.00 3.37 H new ATOM 0 HE3 LYS A 19 16.417 4.363 -3.530 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 16.313 6.152 -5.143 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 17.597 5.107 -5.518 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 16.159 5.043 -6.419 1.00 4.03 H new ATOM 242 N PHE A 20 11.014 1.327 -2.490 1.00 0.63 N ATOM 243 CA PHE A 20 9.644 1.824 -2.415 1.00 0.61 C ATOM 244 C PHE A 20 9.218 2.003 -0.966 1.00 0.62 C ATOM 245 O PHE A 20 8.883 3.107 -0.541 1.00 0.95 O ATOM 246 CB PHE A 20 8.696 0.851 -3.109 1.00 0.62 C ATOM 247 CG PHE A 20 8.354 1.271 -4.513 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.326 1.257 -5.498 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.066 1.670 -4.823 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.011 1.642 -6.790 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.750 2.056 -6.113 1.00 1.17 C ATOM 252 CZ PHE A 20 7.725 2.043 -7.098 1.00 1.19 C ATOM 0 H PHE A 20 11.264 0.668 -1.753 1.00 0.63 H new ATOM 0 HA PHE A 20 9.602 2.791 -2.916 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.151 -0.139 -3.132 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.779 0.767 -2.526 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.332 0.945 -5.258 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.306 1.680 -4.056 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.771 1.629 -7.558 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.744 2.367 -6.353 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.480 2.346 -8.105 1.00 1.19 H new ATOM 262 N HIS A 21 9.229 0.909 -0.212 1.00 0.53 N ATOM 263 CA HIS A 21 8.841 0.944 1.193 1.00 0.57 C ATOM 264 C HIS A 21 9.584 2.048 1.927 1.00 0.69 C ATOM 265 O HIS A 21 8.988 3.047 2.332 1.00 1.03 O ATOM 266 CB HIS A 21 9.142 -0.400 1.847 1.00 0.54 C ATOM 267 CG HIS A 21 8.355 -1.523 1.249 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.081 -2.692 1.912 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.770 -1.668 0.031 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.375 -3.505 1.161 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.166 -2.910 -0.002 1.00 0.42 N ATOM 0 H HIS A 21 9.503 -0.013 -0.551 1.00 0.53 H new ATOM 0 HA HIS A 21 7.771 1.145 1.251 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.206 -0.616 1.751 1.00 0.54 H new ATOM 0 HB3 HIS A 21 8.925 -0.337 2.913 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.385 -2.902 2.863 1.00 0.48 H new ATOM 0 HD2 HIS A 21 7.776 -0.942 -0.768 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.026 -4.487 1.443 1.00 0.45 H new ATOM 279 N ARG A 22 10.887 1.865 2.091 1.00 0.68 N ATOM 280 CA ARG A 22 11.714 2.847 2.775 1.00 0.80 C ATOM 281 C ARG A 22 11.524 4.225 2.150 1.00 0.81 C ATOM 282 O ARG A 22 11.694 5.247 2.813 1.00 0.92 O ATOM 283 CB ARG A 22 13.182 2.439 2.698 1.00 0.93 C ATOM 284 CG ARG A 22 14.090 3.469 3.365 1.00 1.64 C ATOM 285 CD ARG A 22 14.843 2.870 4.548 1.00 2.14 C ATOM 286 NE ARG A 22 16.241 2.641 4.198 1.00 2.73 N ATOM 287 CZ ARG A 22 16.702 1.425 3.925 1.00 3.33 C ATOM 288 NH1 ARG A 22 16.765 0.507 4.881 1.00 3.95 N ATOM 289 NH2 ARG A 22 17.100 1.124 2.696 1.00 3.72 N ATOM 0 H ARG A 22 11.394 1.044 1.759 1.00 0.68 H new ATOM 0 HA ARG A 22 11.411 2.891 3.821 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.316 1.470 3.179 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.472 2.320 1.654 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.803 3.853 2.636 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.493 4.316 3.704 1.00 1.64 H new ATOM 0 HD2 ARG A 22 14.781 3.542 5.404 1.00 2.14 H new ATOM 0 HD3 ARG A 22 14.377 1.930 4.846 1.00 2.14 H new ATOM 0 HE ARG A 22 16.881 3.435 4.162 1.00 2.73 H new ATOM 0 HH11 ARG A 22 16.459 0.734 5.827 1.00 3.95 H new ATOM 0 HH12 ARG A 22 17.119 -0.426 4.670 1.00 3.95 H new ATOM 0 HH21 ARG A 22 17.053 1.827 1.958 1.00 3.72 H new ATOM 0 HH22 ARG A 22 17.454 0.190 2.489 1.00 3.72 H new ATOM 303 N HIS A 23 11.171 4.241 0.867 1.00 0.90 N ATOM 304 CA HIS A 23 10.957 5.491 0.145 1.00 0.98 C ATOM 305 C HIS A 23 9.571 6.055 0.438 1.00 0.96 C ATOM 306 O HIS A 23 9.335 7.253 0.278 1.00 1.12 O ATOM 307 CB HIS A 23 11.112 5.258 -1.357 1.00 1.02 C ATOM 308 CG HIS A 23 12.413 5.771 -1.895 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.780 7.091 -1.844 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.452 5.143 -2.503 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.964 7.270 -2.382 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.408 6.097 -2.798 1.00 1.86 N ATOM 0 H HIS A 23 11.027 3.401 0.306 1.00 0.90 H new ATOM 0 HA HIS A 23 11.703 6.212 0.479 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.035 4.191 -1.564 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.290 5.745 -1.882 1.00 1.02 H new ATOM 0 HD1 HIS A 23 12.209 7.835 -1.442 1.00 1.83 H new ATOM 0 HD2 HIS A 23 13.520 4.087 -2.718 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.485 8.212 -2.469 1.00 2.07 H new ATOM 320 N LEU A 24 8.656 5.188 0.860 1.00 0.86 N ATOM 321 CA LEU A 24 7.293 5.602 1.166 1.00 0.87 C ATOM 322 C LEU A 24 7.147 5.941 2.644 1.00 0.97 C ATOM 323 O LEU A 24 6.635 7.004 2.995 1.00 1.16 O ATOM 324 CB LEU A 24 6.318 4.491 0.788 1.00 0.73 C ATOM 325 CG LEU A 24 6.293 4.257 -0.720 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.088 2.778 -1.033 1.00 0.72 C ATOM 327 CD2 LEU A 24 5.207 5.104 -1.378 1.00 1.25 C ATOM 0 H LEU A 24 8.835 4.193 0.998 1.00 0.86 H new ATOM 0 HA LEU A 24 7.066 6.496 0.586 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.601 3.569 1.296 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.317 4.751 1.133 1.00 0.73 H new ATOM 0 HG LEU A 24 7.257 4.561 -1.129 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.073 2.633 -2.113 1.00 0.72 H new ATOM 0 HD12 LEU A 24 6.903 2.198 -0.600 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.141 2.444 -0.609 1.00 0.72 H new ATOM 0 HD21 LEU A 24 5.206 4.923 -2.453 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.235 4.836 -0.963 1.00 1.25 H new ATOM 0 HD23 LEU A 24 5.404 6.159 -1.188 1.00 1.25 H new ATOM 339 N ILE A 25 7.593 5.036 3.509 1.00 0.92 N ATOM 340 CA ILE A 25 7.501 5.249 4.948 1.00 1.10 C ATOM 341 C ILE A 25 8.392 6.412 5.378 1.00 1.41 C ATOM 342 O ILE A 25 8.135 7.064 6.389 1.00 1.91 O ATOM 343 CB ILE A 25 7.888 3.974 5.695 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.367 3.642 5.508 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.026 2.800 5.242 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.940 2.994 6.762 1.00 0.91 C ATOM 0 H ILE A 25 8.021 4.150 3.239 1.00 0.92 H new ATOM 0 HA ILE A 25 6.470 5.500 5.196 1.00 1.10 H new ATOM 0 HB ILE A 25 7.713 4.152 6.756 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.489 2.970 4.658 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.922 4.551 5.277 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.319 1.902 5.787 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.977 3.020 5.442 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.165 2.637 4.173 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.994 2.767 6.605 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.838 3.678 7.604 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.398 2.073 6.976 1.00 0.91 H new ATOM 358 N GLY A 26 9.438 6.671 4.602 1.00 1.49 N ATOM 359 CA GLY A 26 10.362 7.757 4.903 1.00 1.87 C ATOM 360 C GLY A 26 10.926 7.623 6.312 1.00 1.82 C ATOM 361 O GLY A 26 11.751 6.749 6.581 1.00 2.29 O ATOM 0 H GLY A 26 9.667 6.143 3.760 1.00 1.49 H new ATOM 0 HA2 GLY A 26 11.178 7.756 4.180 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.849 8.713 4.803 1.00 1.87 H new ATOM 365 N LYS A 27 10.479 8.496 7.210 1.00 1.86 N ATOM 366 CA LYS A 27 10.943 8.479 8.593 1.00 1.91 C ATOM 367 C LYS A 27 9.814 8.078 9.535 1.00 1.62 C ATOM 368 O LYS A 27 8.844 8.815 9.709 1.00 2.38 O ATOM 369 CB LYS A 27 11.478 9.854 8.981 1.00 2.21 C ATOM 370 CG LYS A 27 10.382 10.916 8.949 1.00 2.65 C ATOM 371 CD LYS A 27 10.962 12.317 8.773 1.00 3.30 C ATOM 372 CE LYS A 27 9.879 13.334 8.425 1.00 3.80 C ATOM 373 NZ LYS A 27 10.472 14.638 8.021 1.00 4.51 N ATOM 0 H LYS A 27 9.795 9.225 7.004 1.00 1.86 H new ATOM 0 HA LYS A 27 11.744 7.744 8.678 1.00 1.91 H new ATOM 0 HB2 LYS A 27 11.910 9.807 9.980 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.280 10.138 8.300 1.00 2.21 H new ATOM 0 HG2 LYS A 27 9.691 10.702 8.133 1.00 2.65 H new ATOM 0 HG3 LYS A 27 9.806 10.873 9.874 1.00 2.65 H new ATOM 0 HD2 LYS A 27 11.466 12.621 9.691 1.00 3.30 H new ATOM 0 HD3 LYS A 27 11.715 12.303 7.985 1.00 3.30 H new ATOM 0 HE2 LYS A 27 9.260 12.947 7.615 1.00 3.80 H new ATOM 0 HE3 LYS A 27 9.225 13.480 9.284 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 9.711 15.309 7.790 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 11.043 15.017 8.803 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 11.077 14.501 7.186 1.00 4.51 H new ATOM 387 N SER A 28 9.952 6.905 10.146 1.00 1.28 N ATOM 388 CA SER A 28 8.949 6.399 11.077 1.00 1.60 C ATOM 389 C SER A 28 7.611 6.189 10.378 1.00 1.60 C ATOM 390 O SER A 28 6.563 6.166 11.024 1.00 2.28 O ATOM 391 CB SER A 28 8.779 7.376 12.236 1.00 1.99 C ATOM 392 OG SER A 28 10.029 7.959 12.578 1.00 2.57 O ATOM 0 H SER A 28 10.751 6.286 10.012 1.00 1.28 H new ATOM 0 HA SER A 28 9.291 5.437 11.459 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.069 8.156 11.961 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.364 6.857 13.100 1.00 1.99 H new ATOM 0 HG SER A 28 9.905 8.585 13.322 1.00 2.57 H new ATOM 398 N GLY A 29 7.648 6.032 9.058 1.00 1.21 N ATOM 399 CA GLY A 29 6.433 5.820 8.277 1.00 1.23 C ATOM 400 C GLY A 29 5.488 7.007 8.401 1.00 1.36 C ATOM 401 O GLY A 29 5.258 7.519 9.496 1.00 2.05 O ATOM 0 H GLY A 29 8.506 6.048 8.507 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.692 5.666 7.230 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.931 4.914 8.618 1.00 1.23 H new ATOM 405 N ALA A 30 4.946 7.448 7.269 1.00 1.00 N ATOM 406 CA ALA A 30 4.029 8.581 7.250 1.00 1.10 C ATOM 407 C ALA A 30 3.099 8.505 6.046 1.00 1.06 C ATOM 408 O ALA A 30 1.891 8.709 6.168 1.00 1.43 O ATOM 409 CB ALA A 30 4.818 9.886 7.215 1.00 1.27 C ATOM 0 H ALA A 30 5.127 7.037 6.353 1.00 1.00 H new ATOM 0 HA ALA A 30 3.423 8.549 8.155 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.127 10.729 7.201 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.452 9.952 8.099 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.440 9.912 6.320 1.00 1.27 H new ATOM 415 N ASN A 31 3.667 8.211 4.879 1.00 0.73 N ATOM 416 CA ASN A 31 2.889 8.111 3.648 1.00 0.69 C ATOM 417 C ASN A 31 1.666 7.223 3.853 1.00 0.60 C ATOM 418 O ASN A 31 0.556 7.580 3.456 1.00 0.58 O ATOM 419 CB ASN A 31 3.755 7.549 2.526 1.00 0.71 C ATOM 420 CG ASN A 31 3.130 7.851 1.170 1.00 1.24 C ATOM 421 OD1 ASN A 31 1.958 8.217 1.084 1.00 1.91 O ATOM 422 ND2 ASN A 31 3.914 7.699 0.109 1.00 1.42 N ATOM 0 H ASN A 31 4.665 8.038 4.760 1.00 0.73 H new ATOM 0 HA ASN A 31 2.550 9.110 3.374 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.754 7.982 2.578 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.868 6.472 2.650 1.00 0.71 H new ATOM 0 HD21 ASN A 31 3.550 7.888 -0.825 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.880 7.393 0.228 1.00 1.42 H new ATOM 429 N ILE A 32 1.875 6.068 4.474 1.00 0.58 N ATOM 430 CA ILE A 32 0.787 5.131 4.733 1.00 0.56 C ATOM 431 C ILE A 32 -0.358 5.833 5.448 1.00 0.52 C ATOM 432 O ILE A 32 -1.528 5.584 5.159 1.00 0.51 O ATOM 433 CB ILE A 32 1.292 3.962 5.574 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.741 4.445 6.950 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.432 3.235 4.863 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.237 3.290 7.814 1.00 1.07 C ATOM 0 H ILE A 32 2.787 5.757 4.808 1.00 0.58 H new ATOM 0 HA ILE A 32 0.421 4.750 3.780 1.00 0.56 H new ATOM 0 HB ILE A 32 0.470 3.259 5.707 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.535 5.183 6.836 1.00 0.70 H new ATOM 0 HG13 ILE A 32 0.911 4.944 7.450 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.776 2.406 5.481 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.078 2.852 3.906 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.256 3.928 4.694 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.549 3.671 8.787 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.434 2.565 7.948 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.083 2.807 7.325 1.00 1.07 H new ATOM 448 N ASN A 33 -0.017 6.719 6.377 1.00 0.56 N ATOM 449 CA ASN A 33 -1.020 7.463 7.128 1.00 0.59 C ATOM 450 C ASN A 33 -1.803 8.377 6.196 1.00 0.54 C ATOM 451 O ASN A 33 -3.017 8.523 6.330 1.00 0.55 O ATOM 452 CB ASN A 33 -0.349 8.285 8.223 1.00 0.71 C ATOM 453 CG ASN A 33 -1.088 8.111 9.544 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.586 9.078 10.121 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.160 6.875 10.025 1.00 1.62 N ATOM 0 H ASN A 33 0.947 6.939 6.628 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.710 6.756 7.588 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.689 7.974 8.336 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.337 9.338 7.941 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -1.643 6.698 10.906 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -0.733 6.103 9.513 1.00 1.62 H new ATOM 462 N ARG A 34 -1.099 8.990 5.249 1.00 0.55 N ATOM 463 CA ARG A 34 -1.726 9.892 4.287 1.00 0.56 C ATOM 464 C ARG A 34 -2.670 9.123 3.372 1.00 0.48 C ATOM 465 O ARG A 34 -3.823 9.511 3.190 1.00 0.48 O ATOM 466 CB ARG A 34 -0.655 10.593 3.455 1.00 0.65 C ATOM 467 CG ARG A 34 -1.170 11.898 2.854 1.00 0.89 C ATOM 468 CD ARG A 34 -0.201 12.458 1.815 1.00 1.22 C ATOM 469 NE ARG A 34 0.229 13.800 2.191 1.00 1.69 N ATOM 470 CZ ARG A 34 0.207 14.808 1.326 1.00 2.27 C ATOM 471 NH1 ARG A 34 -0.886 15.053 0.616 1.00 2.78 N ATOM 472 NH2 ARG A 34 1.280 15.571 1.167 1.00 2.90 N ATOM 0 H ARG A 34 -0.092 8.879 5.127 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.301 10.638 4.835 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.214 10.798 4.080 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.324 9.930 2.656 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -2.142 11.728 2.391 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.318 12.631 3.647 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.666 11.803 1.727 1.00 1.22 H new ATOM 0 HD3 ARG A 34 -0.682 12.484 0.837 1.00 1.22 H new ATOM 0 HE ARG A 34 0.555 13.969 3.143 1.00 1.69 H new ATOM 0 HH11 ARG A 34 -1.712 14.467 0.733 1.00 2.78 H new ATOM 0 HH12 ARG A 34 -0.900 15.828 -0.047 1.00 2.78 H new ATOM 0 HH21 ARG A 34 2.124 15.384 1.709 1.00 2.90 H new ATOM 0 HH22 ARG A 34 1.262 16.345 0.502 1.00 2.90 H new ATOM 486 N ILE A 35 -2.176 8.028 2.801 1.00 0.45 N ATOM 487 CA ILE A 35 -2.983 7.204 1.908 1.00 0.40 C ATOM 488 C ILE A 35 -4.223 6.702 2.636 1.00 0.34 C ATOM 489 O ILE A 35 -5.347 7.068 2.292 1.00 0.34 O ATOM 490 CB ILE A 35 -2.159 6.024 1.400 1.00 0.41 C ATOM 491 CG1 ILE A 35 -0.893 6.515 0.702 1.00 0.54 C ATOM 492 CG2 ILE A 35 -2.983 5.147 0.462 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.212 7.524 -0.397 1.00 1.29 C ATOM 0 H ILE A 35 -1.223 7.692 2.941 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.297 7.808 1.057 1.00 0.40 H new ATOM 0 HB ILE A 35 -1.868 5.420 2.259 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.227 6.972 1.434 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.361 5.666 0.274 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.373 4.313 0.114 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -3.853 4.763 0.994 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.312 5.738 -0.393 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.286 7.851 -0.871 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -1.857 7.058 -1.142 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -1.721 8.385 0.036 1.00 1.29 H new ATOM 505 N LYS A 36 -4.007 5.865 3.651 1.00 0.35 N ATOM 506 CA LYS A 36 -5.098 5.303 4.451 1.00 0.36 C ATOM 507 C LYS A 36 -6.185 6.342 4.721 1.00 0.39 C ATOM 508 O LYS A 36 -7.373 6.042 4.633 1.00 0.51 O ATOM 509 CB LYS A 36 -4.554 4.792 5.782 1.00 0.44 C ATOM 510 CG LYS A 36 -3.727 3.526 5.604 1.00 1.09 C ATOM 511 CD LYS A 36 -3.519 2.802 6.931 1.00 1.41 C ATOM 512 CE LYS A 36 -2.504 3.526 7.811 1.00 2.17 C ATOM 513 NZ LYS A 36 -1.875 2.596 8.790 1.00 2.76 N ATOM 0 H LYS A 36 -3.078 5.559 3.941 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.537 4.482 3.884 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.941 5.565 6.245 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -5.383 4.593 6.461 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -4.226 2.860 4.900 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -2.759 3.780 5.172 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.470 2.726 7.458 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -3.177 1.784 6.742 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -1.732 3.975 7.186 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -2.996 4.340 8.344 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -1.190 3.117 9.374 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -2.610 2.187 9.401 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -1.385 1.834 8.279 1.00 2.76 H new ATOM 527 N ASP A 37 -5.770 7.560 5.050 1.00 0.40 N ATOM 528 CA ASP A 37 -6.707 8.638 5.334 1.00 0.45 C ATOM 529 C ASP A 37 -7.304 9.177 4.042 1.00 0.44 C ATOM 530 O ASP A 37 -8.475 9.552 3.994 1.00 0.60 O ATOM 531 CB ASP A 37 -5.989 9.757 6.073 1.00 0.51 C ATOM 532 CG ASP A 37 -6.760 10.146 7.327 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.974 10.420 7.219 1.00 1.37 O ATOM 534 OD2 ASP A 37 -6.148 10.179 8.415 1.00 1.56 O ATOM 0 H ASP A 37 -4.788 7.825 5.126 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.513 8.248 5.956 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -4.983 9.436 6.342 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.883 10.623 5.420 1.00 0.51 H new ATOM 539 N GLN A 38 -6.485 9.218 3.001 1.00 0.41 N ATOM 540 CA GLN A 38 -6.914 9.718 1.702 1.00 0.46 C ATOM 541 C GLN A 38 -7.969 8.808 1.088 1.00 0.42 C ATOM 542 O GLN A 38 -9.109 9.217 0.878 1.00 0.68 O ATOM 543 CB GLN A 38 -5.713 9.814 0.767 1.00 0.54 C ATOM 544 CG GLN A 38 -6.018 10.668 -0.451 1.00 0.65 C ATOM 545 CD GLN A 38 -5.844 12.145 -0.123 1.00 1.05 C ATOM 546 OE1 GLN A 38 -4.777 12.720 -0.343 1.00 1.65 O ATOM 547 NE2 GLN A 38 -6.894 12.761 0.405 1.00 1.66 N ATOM 0 H GLN A 38 -5.513 8.909 3.031 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.352 10.706 1.842 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.865 10.237 1.306 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.420 8.814 0.447 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.356 10.391 -1.272 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.038 10.482 -0.787 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -7.758 12.245 0.570 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -6.837 13.750 0.646 1.00 1.66 H new ATOM 556 N TYR A 39 -7.575 7.576 0.787 1.00 0.34 N ATOM 557 CA TYR A 39 -8.481 6.609 0.178 1.00 0.34 C ATOM 558 C TYR A 39 -9.223 5.787 1.229 1.00 0.30 C ATOM 559 O TYR A 39 -9.835 4.771 0.903 1.00 0.32 O ATOM 560 CB TYR A 39 -7.698 5.679 -0.743 1.00 0.39 C ATOM 561 CG TYR A 39 -6.983 6.411 -1.851 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.822 7.115 -1.583 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.485 6.382 -3.140 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.167 7.787 -2.600 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.829 7.054 -4.158 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.673 7.753 -3.882 1.00 0.66 C ATOM 567 OH TYR A 39 -5.020 8.422 -4.893 1.00 0.77 O ATOM 0 H TYR A 39 -6.633 7.223 0.955 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.223 7.164 -0.396 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.969 5.122 -0.154 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.380 4.949 -1.179 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.426 7.140 -0.578 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.391 5.834 -3.353 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.261 8.337 -2.390 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.221 7.031 -5.164 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.506 8.297 -5.735 1.00 0.77 H new ATOM 577 N LYS A 40 -9.176 6.221 2.489 1.00 0.28 N ATOM 578 CA LYS A 40 -9.857 5.502 3.568 1.00 0.31 C ATOM 579 C LYS A 40 -9.533 4.014 3.497 1.00 0.29 C ATOM 580 O LYS A 40 -10.425 3.168 3.573 1.00 0.39 O ATOM 581 CB LYS A 40 -11.364 5.708 3.456 1.00 0.38 C ATOM 582 CG LYS A 40 -11.988 6.044 4.807 1.00 0.86 C ATOM 583 CD LYS A 40 -13.508 6.153 4.714 1.00 1.29 C ATOM 584 CE LYS A 40 -13.934 7.413 3.966 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.688 8.341 4.853 1.00 2.56 N ATOM 0 H LYS A 40 -8.678 7.060 2.787 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.510 5.893 4.525 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.570 6.512 2.750 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.826 4.806 3.056 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.722 5.275 5.532 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.577 6.985 5.174 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.906 5.275 4.206 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.935 6.162 5.717 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -13.053 7.919 3.571 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.554 7.139 3.112 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.964 9.188 4.316 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -15.541 7.864 5.209 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.087 8.620 5.655 1.00 2.56 H new ATOM 599 N VAL A 41 -8.251 3.702 3.329 1.00 0.23 N ATOM 600 CA VAL A 41 -7.805 2.318 3.219 1.00 0.23 C ATOM 601 C VAL A 41 -6.737 1.994 4.256 1.00 0.27 C ATOM 602 O VAL A 41 -6.410 2.821 5.106 1.00 0.33 O ATOM 603 CB VAL A 41 -7.250 2.080 1.820 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.372 2.099 0.792 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.194 3.128 1.477 1.00 0.23 C ATOM 0 H VAL A 41 -7.502 4.391 3.266 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.659 1.666 3.401 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.779 1.097 1.799 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.958 1.927 -0.202 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.092 1.315 1.025 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.870 3.068 0.815 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.809 2.942 0.474 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.641 4.121 1.516 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.377 3.070 2.196 1.00 0.23 H new ATOM 615 N SER A 42 -6.194 0.782 4.171 1.00 0.29 N ATOM 616 CA SER A 42 -5.154 0.332 5.089 1.00 0.34 C ATOM 617 C SER A 42 -3.967 -0.213 4.306 1.00 0.30 C ATOM 618 O SER A 42 -4.018 -1.323 3.777 1.00 0.36 O ATOM 619 CB SER A 42 -5.706 -0.747 6.015 1.00 0.43 C ATOM 620 OG SER A 42 -5.016 -0.732 7.258 1.00 0.93 O ATOM 0 H SER A 42 -6.460 0.091 3.470 1.00 0.29 H new ATOM 0 HA SER A 42 -4.823 1.179 5.690 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.771 -0.583 6.181 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.603 -1.726 5.546 1.00 0.43 H new ATOM 0 HG SER A 42 -5.381 -1.428 7.843 1.00 0.93 H new ATOM 626 N VAL A 43 -2.902 0.578 4.226 1.00 0.33 N ATOM 627 CA VAL A 43 -1.704 0.179 3.497 1.00 0.34 C ATOM 628 C VAL A 43 -0.634 -0.331 4.452 1.00 0.35 C ATOM 629 O VAL A 43 -0.194 0.387 5.350 1.00 0.55 O ATOM 630 CB VAL A 43 -1.162 1.364 2.702 1.00 0.49 C ATOM 631 CG1 VAL A 43 -0.903 2.556 3.621 1.00 1.25 C ATOM 632 CG2 VAL A 43 0.110 0.975 1.951 1.00 0.54 C ATOM 0 H VAL A 43 -2.844 1.500 4.658 1.00 0.33 H new ATOM 0 HA VAL A 43 -1.970 -0.627 2.813 1.00 0.34 H new ATOM 0 HB VAL A 43 -1.914 1.655 1.969 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.517 3.390 3.035 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -1.834 2.852 4.104 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.173 2.278 4.381 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.479 1.834 1.391 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.869 0.653 2.664 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.109 0.160 1.261 1.00 0.54 H new ATOM 642 N ARG A 44 -0.212 -1.572 4.244 1.00 0.31 N ATOM 643 CA ARG A 44 0.816 -2.180 5.075 1.00 0.42 C ATOM 644 C ARG A 44 2.121 -2.287 4.295 1.00 0.40 C ATOM 645 O ARG A 44 2.143 -2.809 3.181 1.00 0.41 O ATOM 646 CB ARG A 44 0.368 -3.564 5.534 1.00 0.52 C ATOM 647 CG ARG A 44 -1.033 -3.527 6.138 1.00 0.78 C ATOM 648 CD ARG A 44 -1.021 -2.960 7.555 1.00 1.05 C ATOM 649 NE ARG A 44 -1.773 -3.828 8.456 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.840 -3.588 9.761 1.00 1.74 C ATOM 651 NH1 ARG A 44 -1.669 -2.356 10.221 1.00 2.27 N ATOM 652 NH2 ARG A 44 -2.078 -4.580 10.608 1.00 2.28 N ATOM 0 H ARG A 44 -0.568 -2.178 3.504 1.00 0.31 H new ATOM 0 HA ARG A 44 0.977 -1.553 5.952 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.383 -4.251 4.688 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.073 -3.950 6.271 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.685 -2.921 5.509 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.450 -4.534 6.152 1.00 0.78 H new ATOM 0 HD2 ARG A 44 0.006 -2.863 7.906 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.454 -1.960 7.557 1.00 1.05 H new ATOM 0 HE ARG A 44 -2.259 -4.639 8.074 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -1.486 -1.590 9.572 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -1.721 -2.174 11.223 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -2.210 -5.529 10.258 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -2.129 -4.394 11.610 1.00 2.28 H new ATOM 666 N ILE A 45 3.202 -1.783 4.880 1.00 0.46 N ATOM 667 CA ILE A 45 4.510 -1.819 4.235 1.00 0.47 C ATOM 668 C ILE A 45 5.390 -2.890 4.889 1.00 0.53 C ATOM 669 O ILE A 45 5.993 -2.654 5.935 1.00 0.64 O ATOM 670 CB ILE A 45 5.164 -0.428 4.319 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.533 0.514 3.293 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.685 -0.485 4.122 1.00 0.60 C ATOM 673 CD1 ILE A 45 4.986 0.194 1.867 1.00 0.56 C ATOM 0 H ILE A 45 3.199 -1.344 5.801 1.00 0.46 H new ATOM 0 HA ILE A 45 4.393 -2.080 3.183 1.00 0.47 H new ATOM 0 HB ILE A 45 4.983 -0.046 5.324 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.447 0.441 3.353 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.797 1.543 3.535 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.099 0.521 4.190 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.129 -1.113 4.895 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.909 -0.904 3.141 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.514 0.887 1.171 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.069 0.293 1.799 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.698 -0.826 1.614 1.00 0.56 H new ATOM 685 N PRO A 46 5.476 -4.083 4.271 1.00 0.48 N ATOM 686 CA PRO A 46 6.290 -5.180 4.797 1.00 0.58 C ATOM 687 C PRO A 46 7.765 -5.002 4.445 1.00 0.61 C ATOM 688 O PRO A 46 8.127 -4.960 3.271 1.00 0.56 O ATOM 689 CB PRO A 46 5.708 -6.414 4.116 1.00 0.57 C ATOM 690 CG PRO A 46 5.086 -5.921 2.849 1.00 0.47 C ATOM 691 CD PRO A 46 4.797 -4.450 3.018 1.00 0.41 C ATOM 0 HA PRO A 46 6.260 -5.240 5.885 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.485 -7.151 3.910 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.968 -6.900 4.752 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.757 -6.084 2.006 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.168 -6.469 2.636 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.177 -3.871 2.176 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.725 -4.260 3.077 1.00 0.41 H new ATOM 699 N PRO A 47 8.641 -4.892 5.457 1.00 0.74 N ATOM 700 CA PRO A 47 10.081 -4.715 5.225 1.00 0.81 C ATOM 701 C PRO A 47 10.732 -5.971 4.657 1.00 0.87 C ATOM 702 O PRO A 47 11.796 -5.905 4.040 1.00 1.53 O ATOM 703 CB PRO A 47 10.627 -4.368 6.609 1.00 0.98 C ATOM 704 CG PRO A 47 9.650 -4.955 7.571 1.00 1.03 C ATOM 705 CD PRO A 47 8.307 -4.931 6.891 1.00 0.85 C ATOM 0 HA PRO A 47 10.291 -3.945 4.483 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.623 -4.785 6.755 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.710 -3.289 6.741 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.932 -5.974 7.836 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.625 -4.380 8.497 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.716 -5.812 7.140 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.723 -4.061 7.190 1.00 0.85 H new ATOM 713 N ASP A 48 10.083 -7.115 4.859 1.00 1.32 N ATOM 714 CA ASP A 48 10.593 -8.389 4.357 1.00 1.46 C ATOM 715 C ASP A 48 12.072 -8.553 4.688 1.00 1.48 C ATOM 716 O ASP A 48 12.629 -7.799 5.486 1.00 2.18 O ATOM 717 CB ASP A 48 10.390 -8.472 2.847 1.00 2.16 C ATOM 718 CG ASP A 48 9.353 -9.534 2.508 1.00 2.56 C ATOM 719 OD1 ASP A 48 9.500 -10.682 2.978 1.00 3.03 O ATOM 720 OD2 ASP A 48 8.395 -9.217 1.772 1.00 3.01 O ATOM 0 H ASP A 48 9.202 -7.186 5.367 1.00 1.32 H new ATOM 0 HA ASP A 48 10.040 -9.193 4.843 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.067 -7.504 2.463 1.00 2.16 H new ATOM 0 HB3 ASP A 48 11.335 -8.709 2.359 1.00 2.16 H new ATOM 725 N SER A 49 12.704 -9.545 4.068 1.00 1.59 N ATOM 726 CA SER A 49 14.119 -9.813 4.292 1.00 2.11 C ATOM 727 C SER A 49 14.963 -9.182 3.192 1.00 1.90 C ATOM 728 O SER A 49 15.576 -8.133 3.393 1.00 2.33 O ATOM 729 CB SER A 49 14.362 -11.319 4.334 1.00 3.03 C ATOM 730 OG SER A 49 14.254 -11.803 5.663 1.00 3.81 O ATOM 0 H SER A 49 12.256 -10.178 3.405 1.00 1.59 H new ATOM 0 HA SER A 49 14.409 -9.375 5.247 1.00 2.11 H new ATOM 0 HB2 SER A 49 13.640 -11.828 3.696 1.00 3.03 H new ATOM 0 HB3 SER A 49 15.352 -11.545 3.938 1.00 3.03 H new ATOM 0 HG SER A 49 14.411 -12.770 5.673 1.00 3.81 H new ATOM 736 N GLU A 50 14.994 -9.825 2.030 1.00 1.92 N ATOM 737 CA GLU A 50 15.764 -9.324 0.896 1.00 2.27 C ATOM 738 C GLU A 50 15.633 -10.261 -0.298 1.00 2.09 C ATOM 739 O GLU A 50 16.619 -10.834 -0.761 1.00 2.74 O ATOM 740 CB GLU A 50 17.232 -9.180 1.286 1.00 3.06 C ATOM 741 CG GLU A 50 17.837 -7.897 0.724 1.00 3.83 C ATOM 742 CD GLU A 50 17.881 -7.954 -0.797 1.00 4.43 C ATOM 743 OE1 GLU A 50 18.746 -8.671 -1.341 1.00 4.97 O ATOM 744 OE2 GLU A 50 17.049 -7.282 -1.442 1.00 4.75 O ATOM 0 H GLU A 50 14.494 -10.695 1.848 1.00 1.92 H new ATOM 0 HA GLU A 50 15.370 -8.347 0.615 1.00 2.27 H new ATOM 0 HB2 GLU A 50 17.323 -9.181 2.372 1.00 3.06 H new ATOM 0 HB3 GLU A 50 17.793 -10.039 0.919 1.00 3.06 H new ATOM 0 HG2 GLU A 50 17.248 -7.038 1.045 1.00 3.83 H new ATOM 0 HG3 GLU A 50 18.844 -7.759 1.119 1.00 3.83 H new ATOM 751 N LYS A 51 14.410 -10.408 -0.795 1.00 1.76 N ATOM 752 CA LYS A 51 14.147 -11.271 -1.940 1.00 1.77 C ATOM 753 C LYS A 51 13.085 -10.650 -2.837 1.00 1.55 C ATOM 754 O LYS A 51 13.298 -10.469 -4.036 1.00 2.20 O ATOM 755 CB LYS A 51 13.686 -12.646 -1.465 1.00 2.14 C ATOM 756 CG LYS A 51 14.868 -13.571 -1.196 1.00 2.60 C ATOM 757 CD LYS A 51 14.566 -15.005 -1.620 1.00 3.36 C ATOM 758 CE LYS A 51 14.703 -15.977 -0.452 1.00 4.12 C ATOM 759 NZ LYS A 51 14.497 -17.385 -0.892 1.00 4.81 N ATOM 0 H LYS A 51 13.584 -9.940 -0.422 1.00 1.76 H new ATOM 0 HA LYS A 51 15.069 -11.382 -2.511 1.00 1.77 H new ATOM 0 HB2 LYS A 51 13.093 -12.538 -0.557 1.00 2.14 H new ATOM 0 HB3 LYS A 51 13.037 -13.093 -2.218 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.744 -13.209 -1.734 1.00 2.60 H new ATOM 0 HG3 LYS A 51 15.114 -13.549 -0.134 1.00 2.60 H new ATOM 0 HD2 LYS A 51 13.555 -15.060 -2.023 1.00 3.36 H new ATOM 0 HD3 LYS A 51 15.245 -15.299 -2.420 1.00 3.36 H new ATOM 0 HE2 LYS A 51 15.692 -15.875 -0.005 1.00 4.12 H new ATOM 0 HE3 LYS A 51 13.976 -15.725 0.320 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 14.596 -18.022 -0.076 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 13.544 -17.486 -1.296 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 15.206 -17.631 -1.612 1.00 4.81 H new ATOM 773 N SER A 52 11.941 -10.321 -2.247 1.00 1.19 N ATOM 774 CA SER A 52 10.841 -9.715 -2.987 1.00 1.04 C ATOM 775 C SER A 52 9.867 -9.040 -2.031 1.00 0.92 C ATOM 776 O SER A 52 9.476 -9.620 -1.017 1.00 1.19 O ATOM 777 CB SER A 52 10.114 -10.775 -3.808 1.00 1.25 C ATOM 778 OG SER A 52 8.817 -10.324 -4.166 1.00 2.03 O ATOM 0 H SER A 52 11.751 -10.465 -1.255 1.00 1.19 H new ATOM 0 HA SER A 52 11.249 -8.962 -3.661 1.00 1.04 H new ATOM 0 HB2 SER A 52 10.687 -11.003 -4.707 1.00 1.25 H new ATOM 0 HB3 SER A 52 10.039 -11.699 -3.235 1.00 1.25 H new ATOM 0 HG SER A 52 8.364 -11.015 -4.694 1.00 2.03 H new ATOM 784 N ASN A 53 9.479 -7.812 -2.358 1.00 0.68 N ATOM 785 CA ASN A 53 8.553 -7.056 -1.528 1.00 0.61 C ATOM 786 C ASN A 53 7.126 -7.225 -2.031 1.00 0.59 C ATOM 787 O ASN A 53 6.885 -7.297 -3.235 1.00 0.99 O ATOM 788 CB ASN A 53 8.934 -5.579 -1.533 1.00 0.60 C ATOM 789 CG ASN A 53 10.128 -5.338 -0.620 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.988 -5.294 0.603 1.00 1.68 O ATOM 791 ND2 ASN A 53 11.306 -5.182 -1.212 1.00 1.28 N ATOM 0 H ASN A 53 9.793 -7.320 -3.194 1.00 0.68 H new ATOM 0 HA ASN A 53 8.611 -7.437 -0.508 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.174 -5.262 -2.548 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.088 -4.977 -1.203 1.00 0.60 H new ATOM 0 HD21 ASN A 53 12.141 -5.018 -0.650 1.00 1.28 H new ATOM 0 HD22 ASN A 53 11.376 -5.226 -2.229 1.00 1.28 H new ATOM 798 N LEU A 54 6.186 -7.288 -1.098 1.00 0.55 N ATOM 799 CA LEU A 54 4.776 -7.449 -1.432 1.00 0.51 C ATOM 800 C LEU A 54 3.911 -6.627 -0.488 1.00 0.44 C ATOM 801 O LEU A 54 3.406 -7.140 0.510 1.00 0.57 O ATOM 802 CB LEU A 54 4.383 -8.923 -1.344 1.00 0.65 C ATOM 803 CG LEU A 54 3.850 -9.448 -2.674 1.00 0.82 C ATOM 804 CD1 LEU A 54 3.356 -10.885 -2.527 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.738 -8.548 -3.207 1.00 1.49 C ATOM 0 H LEU A 54 6.375 -7.230 -0.097 1.00 0.55 H new ATOM 0 HA LEU A 54 4.617 -7.096 -2.451 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.248 -9.512 -1.041 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.624 -9.051 -0.572 1.00 0.65 H new ATOM 0 HG LEU A 54 4.668 -9.439 -3.394 1.00 0.82 H new ATOM 0 HD11 LEU A 54 2.980 -11.240 -3.486 1.00 1.49 H new ATOM 0 HD12 LEU A 54 4.179 -11.521 -2.202 1.00 1.49 H new ATOM 0 HD13 LEU A 54 2.556 -10.921 -1.788 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.374 -8.942 -4.156 1.00 1.49 H new ATOM 0 HD22 LEU A 54 1.919 -8.517 -2.489 1.00 1.49 H new ATOM 0 HD23 LEU A 54 3.126 -7.541 -3.358 1.00 1.49 H new ATOM 817 N ILE A 55 3.744 -5.347 -0.805 1.00 0.31 N ATOM 818 CA ILE A 55 2.938 -4.458 0.024 1.00 0.26 C ATOM 819 C ILE A 55 1.489 -4.925 0.046 1.00 0.27 C ATOM 820 O ILE A 55 0.922 -5.270 -0.990 1.00 0.34 O ATOM 821 CB ILE A 55 3.018 -3.029 -0.504 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.471 -2.562 -0.570 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.190 -2.088 0.366 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.574 -1.098 -0.996 1.00 0.35 C ATOM 0 H ILE A 55 4.154 -4.903 -1.627 1.00 0.31 H new ATOM 0 HA ILE A 55 3.330 -4.481 1.041 1.00 0.26 H new ATOM 0 HB ILE A 55 2.606 -3.012 -1.513 1.00 0.27 H new ATOM 0 HG12 ILE A 55 4.940 -2.691 0.406 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.022 -3.186 -1.274 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.260 -1.074 -0.027 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.148 -2.409 0.360 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.570 -2.108 1.388 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.623 -0.802 -1.031 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.128 -0.974 -1.983 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.045 -0.472 -0.278 1.00 0.35 H new ATOM 836 N ARG A 56 0.895 -4.940 1.235 1.00 0.29 N ATOM 837 CA ARG A 56 -0.489 -5.372 1.392 1.00 0.32 C ATOM 838 C ARG A 56 -1.427 -4.172 1.446 1.00 0.29 C ATOM 839 O ARG A 56 -1.237 -3.258 2.248 1.00 0.42 O ATOM 840 CB ARG A 56 -0.635 -6.199 2.666 1.00 0.42 C ATOM 841 CG ARG A 56 0.418 -7.301 2.745 1.00 0.55 C ATOM 842 CD ARG A 56 1.277 -7.170 4.000 1.00 0.84 C ATOM 843 NE ARG A 56 0.686 -7.921 5.102 1.00 1.44 N ATOM 844 CZ ARG A 56 1.235 -9.043 5.556 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.331 -8.994 6.301 1.00 2.19 N ATOM 846 NH2 ARG A 56 0.689 -10.216 5.264 1.00 2.33 N ATOM 0 H ARG A 56 1.350 -4.658 2.103 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.758 -5.984 0.531 1.00 0.32 H new ATOM 0 HB2 ARG A 56 -0.546 -5.548 3.535 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.630 -6.643 2.700 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.072 -8.274 2.739 1.00 0.55 H new ATOM 0 HG3 ARG A 56 1.055 -7.260 1.862 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.283 -7.538 3.799 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.371 -6.120 4.276 1.00 0.84 H new ATOM 0 HE ARG A 56 -0.171 -7.576 5.535 1.00 1.44 H new ATOM 0 HH11 ARG A 56 2.754 -8.094 6.527 1.00 2.19 H new ATOM 0 HH12 ARG A 56 2.751 -9.856 6.648 1.00 2.19 H new ATOM 0 HH21 ARG A 56 -0.153 -10.258 4.690 1.00 2.33 H new ATOM 0 HH22 ARG A 56 1.111 -11.076 5.613 1.00 2.33 H new ATOM 860 N ILE A 57 -2.442 -4.185 0.587 1.00 0.24 N ATOM 861 CA ILE A 57 -3.418 -3.103 0.535 1.00 0.24 C ATOM 862 C ILE A 57 -4.826 -3.648 0.736 1.00 0.26 C ATOM 863 O ILE A 57 -5.248 -4.570 0.041 1.00 0.40 O ATOM 864 CB ILE A 57 -3.333 -2.386 -0.809 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.929 -1.826 -1.033 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.378 -1.278 -0.900 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.647 -0.627 -0.131 1.00 1.32 C ATOM 0 H ILE A 57 -2.610 -4.935 -0.084 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.195 -2.397 1.335 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.541 -3.112 -1.595 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.192 -2.606 -0.842 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.818 -1.530 -2.076 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.298 -0.781 -1.867 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.374 -1.708 -0.794 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -4.209 -0.553 -0.104 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.639 -0.258 -0.321 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -2.368 0.163 -0.340 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.732 -0.929 0.913 1.00 1.32 H new ATOM 879 N GLU A 58 -5.550 -3.071 1.687 1.00 0.23 N ATOM 880 CA GLU A 58 -6.914 -3.499 1.973 1.00 0.25 C ATOM 881 C GLU A 58 -7.746 -2.320 2.457 1.00 0.24 C ATOM 882 O GLU A 58 -7.289 -1.517 3.272 1.00 0.26 O ATOM 883 CB GLU A 58 -6.911 -4.601 3.029 1.00 0.32 C ATOM 884 CG GLU A 58 -8.301 -5.207 3.210 1.00 0.37 C ATOM 885 CD GLU A 58 -8.268 -6.306 4.264 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.162 -6.655 4.726 1.00 1.47 O ATOM 887 OE2 GLU A 58 -9.349 -6.817 4.626 1.00 1.56 O ATOM 0 H GLU A 58 -5.216 -2.306 2.273 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.355 -3.889 1.056 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.208 -5.382 2.740 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.563 -4.195 3.979 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -9.007 -4.431 3.506 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.654 -5.614 2.262 1.00 0.37 H new ATOM 894 N GLY A 59 -8.967 -2.215 1.946 1.00 0.25 N ATOM 895 CA GLY A 59 -9.863 -1.129 2.320 1.00 0.27 C ATOM 896 C GLY A 59 -11.207 -1.265 1.618 1.00 0.39 C ATOM 897 O GLY A 59 -11.611 -2.365 1.240 1.00 0.59 O ATOM 0 H GLY A 59 -9.359 -2.871 1.270 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -10.011 -1.130 3.400 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.409 -0.172 2.062 1.00 0.27 H new ATOM 901 N ASP A 60 -11.889 -0.136 1.437 1.00 0.53 N ATOM 902 CA ASP A 60 -13.176 -0.104 0.774 1.00 0.70 C ATOM 903 C ASP A 60 -13.104 -0.882 -0.540 1.00 0.59 C ATOM 904 O ASP A 60 -12.046 -1.373 -0.924 1.00 1.04 O ATOM 905 CB ASP A 60 -13.588 1.353 0.516 1.00 1.22 C ATOM 906 CG ASP A 60 -14.126 1.523 -0.901 1.00 1.93 C ATOM 907 OD1 ASP A 60 -13.522 0.961 -1.839 1.00 2.31 O ATOM 908 OD2 ASP A 60 -15.151 2.218 -1.070 1.00 2.66 O ATOM 0 H ASP A 60 -11.559 0.778 1.748 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.925 -0.572 1.413 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -14.349 1.653 1.237 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -12.731 2.010 0.665 1.00 1.22 H new ATOM 913 N PRO A 61 -14.235 -1.008 -1.235 1.00 0.72 N ATOM 914 CA PRO A 61 -14.330 -1.726 -2.496 1.00 1.14 C ATOM 915 C PRO A 61 -14.130 -0.814 -3.704 1.00 0.88 C ATOM 916 O PRO A 61 -14.366 -1.218 -4.843 1.00 1.22 O ATOM 917 CB PRO A 61 -15.746 -2.305 -2.426 1.00 1.82 C ATOM 918 CG PRO A 61 -16.509 -1.421 -1.474 1.00 1.82 C ATOM 919 CD PRO A 61 -15.522 -0.464 -0.847 1.00 1.17 C ATOM 0 HA PRO A 61 -13.557 -2.483 -2.625 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -16.213 -2.313 -3.411 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -15.729 -3.336 -2.073 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -17.290 -0.874 -2.002 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -17.002 -2.019 -0.708 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -15.657 0.552 -1.217 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -15.632 -0.426 0.237 1.00 1.17 H new ATOM 927 N GLN A 62 -13.678 0.415 -3.449 1.00 0.64 N ATOM 928 CA GLN A 62 -13.431 1.383 -4.510 1.00 0.47 C ATOM 929 C GLN A 62 -12.198 2.218 -4.187 1.00 0.41 C ATOM 930 O GLN A 62 -11.349 2.445 -5.047 1.00 0.47 O ATOM 931 CB GLN A 62 -14.642 2.297 -4.683 1.00 0.69 C ATOM 932 CG GLN A 62 -15.846 1.545 -5.241 1.00 0.85 C ATOM 933 CD GLN A 62 -16.054 1.895 -6.709 1.00 1.34 C ATOM 934 OE1 GLN A 62 -15.675 1.134 -7.599 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.657 3.051 -6.963 1.00 1.73 N ATOM 0 H GLN A 62 -13.476 0.761 -2.511 1.00 0.64 H new ATOM 0 HA GLN A 62 -13.259 0.841 -5.440 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.904 2.739 -3.722 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -14.385 3.118 -5.352 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -15.694 0.471 -5.134 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -16.739 1.799 -4.670 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.955 3.651 -6.194 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.822 3.339 -7.927 1.00 1.73 H new ATOM 944 N GLY A 63 -12.105 2.673 -2.941 1.00 0.37 N ATOM 945 CA GLY A 63 -10.974 3.480 -2.508 1.00 0.34 C ATOM 946 C GLY A 63 -9.703 2.644 -2.442 1.00 0.27 C ATOM 947 O GLY A 63 -8.615 3.129 -2.749 1.00 0.29 O ATOM 0 H GLY A 63 -12.800 2.496 -2.216 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.831 4.312 -3.197 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -11.183 3.910 -1.528 1.00 0.34 H new ATOM 951 N VAL A 64 -9.846 1.386 -2.035 1.00 0.24 N ATOM 952 CA VAL A 64 -8.704 0.486 -1.925 1.00 0.21 C ATOM 953 C VAL A 64 -8.099 0.206 -3.301 1.00 0.24 C ATOM 954 O VAL A 64 -6.878 0.182 -3.455 1.00 0.28 O ATOM 955 CB VAL A 64 -9.122 -0.817 -1.222 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.756 -1.821 -2.190 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.930 -1.443 -0.507 1.00 0.26 C ATOM 0 H VAL A 64 -10.740 0.968 -1.777 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.935 0.967 -1.320 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.882 -0.557 -0.486 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.034 -2.724 -1.647 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.645 -1.380 -2.641 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.040 -2.074 -2.972 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.243 -2.364 -0.015 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.147 -1.667 -1.232 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.546 -0.746 0.238 1.00 0.26 H new ATOM 967 N GLN A 65 -8.957 -0.006 -4.299 1.00 0.25 N ATOM 968 CA GLN A 65 -8.487 -0.284 -5.652 1.00 0.30 C ATOM 969 C GLN A 65 -7.914 0.981 -6.282 1.00 0.30 C ATOM 970 O GLN A 65 -7.053 0.914 -7.160 1.00 0.34 O ATOM 971 CB GLN A 65 -9.625 -0.848 -6.507 1.00 0.37 C ATOM 972 CG GLN A 65 -10.648 0.218 -6.886 1.00 0.42 C ATOM 973 CD GLN A 65 -10.762 0.328 -8.395 1.00 0.78 C ATOM 974 OE1 GLN A 65 -10.805 1.424 -8.955 1.00 1.56 O ATOM 975 NE2 GLN A 65 -10.807 -0.815 -9.049 1.00 0.82 N ATOM 0 H GLN A 65 -9.972 0.010 -4.196 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.696 -1.032 -5.601 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.211 -1.289 -7.413 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.124 -1.649 -5.961 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.619 -0.032 -6.459 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.353 1.180 -6.466 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -10.768 -1.697 -8.538 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -10.881 -0.818 -10.066 1.00 0.82 H new ATOM 984 N GLN A 66 -8.390 2.134 -5.821 1.00 0.29 N ATOM 985 CA GLN A 66 -7.918 3.415 -6.331 1.00 0.31 C ATOM 986 C GLN A 66 -6.530 3.711 -5.786 1.00 0.29 C ATOM 987 O GLN A 66 -5.595 3.965 -6.546 1.00 0.36 O ATOM 988 CB GLN A 66 -8.883 4.527 -5.929 1.00 0.35 C ATOM 989 CG GLN A 66 -10.055 4.633 -6.900 1.00 0.79 C ATOM 990 CD GLN A 66 -10.894 5.865 -6.586 1.00 1.10 C ATOM 991 OE1 GLN A 66 -10.407 6.828 -5.994 1.00 2.03 O ATOM 992 NE2 GLN A 66 -12.161 5.835 -6.983 1.00 1.31 N ATOM 0 H GLN A 66 -9.103 2.206 -5.095 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.870 3.365 -7.419 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.259 4.337 -4.924 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.350 5.477 -5.896 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.684 4.689 -7.923 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.673 3.738 -6.833 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -12.523 5.016 -7.471 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -12.772 6.631 -6.800 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.398 3.665 -4.464 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.119 3.916 -3.814 1.00 0.27 C ATOM 1003 C ALA A 67 -4.107 2.855 -4.220 1.00 0.26 C ATOM 1004 O ALA A 67 -2.920 3.140 -4.376 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.293 3.916 -2.297 1.00 0.29 C ATOM 0 H ALA A 67 -7.163 3.456 -3.822 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.752 4.893 -4.129 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.331 4.105 -1.820 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.998 4.696 -2.012 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.674 2.947 -1.974 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.589 1.628 -4.399 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.733 0.520 -4.799 1.00 0.28 C ATOM 1013 C LYS A 68 -3.080 0.822 -6.140 1.00 0.31 C ATOM 1014 O LYS A 68 -1.897 1.158 -6.204 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.553 -0.764 -4.893 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.710 -1.937 -5.385 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.455 -2.773 -6.421 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.514 -3.720 -7.160 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.131 -4.229 -8.417 1.00 0.88 N ATOM 0 H LYS A 68 -5.570 1.378 -4.273 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.952 0.387 -4.050 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.971 -1.001 -3.915 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.393 -0.610 -5.570 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.783 -1.562 -5.819 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.434 -2.567 -4.539 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.239 -3.349 -5.929 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.945 -2.114 -7.137 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.584 -3.202 -7.393 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.258 -4.559 -6.513 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.466 -4.870 -8.895 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.006 -4.744 -8.191 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.352 -3.429 -9.044 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.859 0.707 -7.211 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.362 0.975 -8.559 1.00 0.43 C ATOM 1035 C ARG A 69 -2.600 2.294 -8.596 1.00 0.42 C ATOM 1036 O ARG A 69 -1.695 2.480 -9.410 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.526 1.022 -9.544 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.750 -0.329 -10.218 1.00 1.02 C ATOM 1039 CD ARG A 69 -6.236 -0.658 -10.333 1.00 1.36 C ATOM 1040 NE ARG A 69 -6.823 0.037 -11.473 1.00 1.81 N ATOM 1041 CZ ARG A 69 -7.190 -0.612 -12.573 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -8.254 -1.404 -12.555 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -6.493 -0.470 -13.693 1.00 2.98 N ATOM 0 H ARG A 69 -4.840 0.429 -7.173 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.683 0.172 -8.843 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.434 1.323 -9.021 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.330 1.779 -10.303 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -4.300 -0.320 -11.211 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -4.247 -1.109 -9.647 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -6.369 -1.734 -10.447 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -6.751 -0.368 -9.417 1.00 1.36 H new ATOM 0 HE ARG A 69 -6.955 1.047 -11.425 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -8.792 -1.516 -11.696 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -8.534 -1.901 -13.400 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -5.674 0.138 -13.711 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -6.776 -0.969 -14.536 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.971 3.208 -7.704 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.323 4.511 -7.624 1.00 0.43 C ATOM 1059 C GLU A 70 -0.913 4.365 -7.069 1.00 0.44 C ATOM 1060 O GLU A 70 0.030 4.979 -7.570 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.136 5.445 -6.735 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.543 6.850 -6.704 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.320 7.774 -7.633 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -4.160 7.269 -8.408 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -3.088 8.999 -7.585 1.00 1.38 O ATOM 0 H GLU A 70 -3.719 3.069 -7.025 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.265 4.935 -8.627 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.163 5.491 -7.098 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -3.173 5.043 -5.723 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.569 7.240 -5.687 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.496 6.817 -7.006 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.775 3.544 -6.033 1.00 0.40 N ATOM 1073 CA LEU A 71 0.520 3.310 -5.408 1.00 0.47 C ATOM 1074 C LEU A 71 1.478 2.671 -6.405 1.00 0.52 C ATOM 1075 O LEU A 71 2.623 3.102 -6.546 1.00 0.60 O ATOM 1076 CB LEU A 71 0.356 2.403 -4.192 1.00 0.51 C ATOM 1077 CG LEU A 71 -0.207 3.163 -2.995 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -1.222 2.308 -2.241 1.00 1.15 C ATOM 1079 CD2 LEU A 71 0.916 3.612 -2.063 1.00 1.08 C ATOM 0 H LEU A 71 -1.546 3.029 -5.608 1.00 0.40 H new ATOM 0 HA LEU A 71 0.932 4.267 -5.087 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.307 1.575 -4.442 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.321 1.970 -3.928 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.718 4.051 -3.367 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.611 2.869 -1.391 1.00 1.15 H new ATOM 0 HD12 LEU A 71 -2.043 2.045 -2.908 1.00 1.15 H new ATOM 0 HD13 LEU A 71 -0.738 1.399 -1.884 1.00 1.15 H new ATOM 0 HD21 LEU A 71 0.492 4.152 -1.216 1.00 1.08 H new ATOM 0 HD22 LEU A 71 1.460 2.739 -1.701 1.00 1.08 H new ATOM 0 HD23 LEU A 71 1.599 4.266 -2.605 1.00 1.08 H new ATOM 1091 N LEU A 72 1.000 1.643 -7.097 1.00 0.52 N ATOM 1092 CA LEU A 72 1.810 0.941 -8.087 1.00 0.63 C ATOM 1093 C LEU A 72 2.226 1.885 -9.212 1.00 0.67 C ATOM 1094 O LEU A 72 3.197 1.623 -9.924 1.00 0.83 O ATOM 1095 CB LEU A 72 1.023 -0.233 -8.664 1.00 0.66 C ATOM 1096 CG LEU A 72 1.027 -1.434 -7.720 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.379 -2.014 -7.580 1.00 1.99 C ATOM 1098 CD2 LEU A 72 2.003 -2.500 -8.209 1.00 1.04 C ATOM 0 H LEU A 72 0.054 1.276 -6.991 1.00 0.52 H new ATOM 0 HA LEU A 72 2.709 0.569 -7.595 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.005 0.076 -8.855 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.452 -0.523 -9.623 1.00 0.66 H new ATOM 0 HG LEU A 72 1.356 -1.095 -6.738 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.354 -2.868 -6.904 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.048 -1.253 -7.179 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -0.739 -2.335 -8.557 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.991 -3.347 -7.523 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.708 -2.835 -9.204 1.00 1.04 H new ATOM 0 HD23 LEU A 72 3.008 -2.081 -8.250 1.00 1.04 H new ATOM 1110 N GLU A 73 1.490 2.983 -9.372 1.00 0.64 N ATOM 1111 CA GLU A 73 1.785 3.958 -10.414 1.00 0.74 C ATOM 1112 C GLU A 73 2.705 5.052 -9.885 1.00 0.71 C ATOM 1113 O GLU A 73 3.919 5.010 -10.091 1.00 0.88 O ATOM 1114 CB GLU A 73 0.489 4.575 -10.929 1.00 0.82 C ATOM 1115 CG GLU A 73 0.014 3.899 -12.211 1.00 1.00 C ATOM 1116 CD GLU A 73 -1.087 4.721 -12.866 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -0.775 5.787 -13.436 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -2.261 4.299 -12.808 1.00 2.01 O ATOM 0 H GLU A 73 0.685 3.218 -8.792 1.00 0.64 H new ATOM 0 HA GLU A 73 2.292 3.446 -11.232 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.284 4.490 -10.165 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.640 5.639 -11.113 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.850 3.784 -12.901 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.355 2.898 -11.987 1.00 1.00 H new ATOM 1125 N LEU A 74 2.121 6.034 -9.207 1.00 0.64 N ATOM 1126 CA LEU A 74 2.886 7.145 -8.652 1.00 0.71 C ATOM 1127 C LEU A 74 3.564 6.738 -7.350 1.00 0.82 C ATOM 1128 O LEU A 74 4.642 7.232 -7.021 1.00 1.13 O ATOM 1129 CB LEU A 74 1.968 8.338 -8.404 1.00 0.85 C ATOM 1130 CG LEU A 74 1.358 8.856 -9.703 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.033 9.432 -9.455 1.00 1.19 C ATOM 1132 CD2 LEU A 74 2.265 9.901 -10.346 1.00 1.32 C ATOM 0 H LEU A 74 1.118 6.083 -9.028 1.00 0.64 H new ATOM 0 HA LEU A 74 3.656 7.424 -9.372 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.172 8.049 -7.717 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.531 9.137 -7.922 1.00 0.85 H new ATOM 0 HG LEU A 74 1.262 8.016 -10.391 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.449 9.795 -10.395 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.681 8.656 -9.047 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.036 10.257 -8.746 1.00 1.19 H new ATOM 0 HD21 LEU A 74 1.811 10.257 -11.271 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.398 10.738 -9.661 1.00 1.32 H new ATOM 0 HD23 LEU A 74 3.235 9.455 -10.566 1.00 1.32 H new ATOM 1144 N ALA A 75 2.925 5.837 -6.610 1.00 0.78 N ATOM 1145 CA ALA A 75 3.469 5.368 -5.342 1.00 0.99 C ATOM 1146 C ALA A 75 3.511 6.503 -4.326 1.00 1.70 C ATOM 1147 O ALA A 75 4.406 6.561 -3.483 1.00 2.16 O ATOM 1148 CB ALA A 75 4.872 4.807 -5.553 1.00 1.14 C ATOM 0 H ALA A 75 2.031 5.418 -6.867 1.00 0.78 H new ATOM 0 HA ALA A 75 2.822 4.580 -4.957 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.272 4.459 -4.601 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.829 3.974 -6.255 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.519 5.587 -5.954 1.00 1.14 H new ATOM 1154 N SER A 76 2.538 7.406 -4.413 1.00 2.17 N ATOM 1155 CA SER A 76 2.462 8.542 -3.503 1.00 3.01 C ATOM 1156 C SER A 76 1.543 8.229 -2.330 1.00 3.57 C ATOM 1157 O SER A 76 0.763 9.118 -1.930 1.00 4.23 O ATOM 1158 CB SER A 76 1.950 9.771 -4.246 1.00 3.63 C ATOM 1159 OG SER A 76 2.896 10.189 -5.220 1.00 4.36 O ATOM 1160 OXT SER A 76 1.605 7.094 -1.811 1.00 3.89 O ATOM 0 H SER A 76 1.791 7.372 -5.106 1.00 2.17 H new ATOM 0 HA SER A 76 3.462 8.744 -3.118 1.00 3.01 H new ATOM 0 HB2 SER A 76 0.999 9.543 -4.727 1.00 3.63 H new ATOM 0 HB3 SER A 76 1.764 10.580 -3.540 1.00 3.63 H new ATOM 0 HG SER A 76 2.554 10.978 -5.691 1.00 4.36 H new TER 1166 SER A 76