USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 40 LYS NZ :NH3+ 175:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.411 K(o=-0.41,f=-3.1!) 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= -0.363 X(o=-0.36,f=-0.78) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -6.88! C(o=-6.9!,f=-8.8!) USER MOD Single : A 23 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.32) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.12 USER MOD Single : A 31 ASN : amide:sc= -0.231 K(o=-0.23,f=-3.7!) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.116 F(o=-0.77,f=-0.12) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.586 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 32:sc= 0.71 USER MOD Single : A 51 LYS NZ :NH3+ -123:sc= 0.366 (180deg=-0.581) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.02) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.438 K(o=-0.44,f=-3.5!) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -150:sc= -0.647 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -18.262 -5.423 11.651 1.00 6.51 N ATOM 2 CA ILE A 6 -17.210 -5.945 10.786 1.00 5.95 C ATOM 3 C ILE A 6 -17.792 -6.412 9.457 1.00 5.14 C ATOM 4 O ILE A 6 -18.644 -7.300 9.420 1.00 5.46 O ATOM 5 CB ILE A 6 -16.495 -7.102 11.475 1.00 6.67 C ATOM 6 CG1 ILE A 6 -15.974 -6.673 12.844 1.00 7.44 C ATOM 7 CG2 ILE A 6 -15.356 -7.629 10.609 1.00 6.84 C ATOM 8 CD1 ILE A 6 -15.564 -7.873 13.692 1.00 8.10 C ATOM 0 HA ILE A 6 -16.494 -5.147 10.591 1.00 5.95 H new ATOM 0 HB ILE A 6 -17.214 -7.908 11.618 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -15.120 -6.008 12.716 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -16.745 -6.105 13.365 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -14.861 -8.454 11.121 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -15.755 -7.980 9.657 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -14.637 -6.830 10.428 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -15.199 -7.527 14.659 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -16.425 -8.524 13.841 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -14.775 -8.426 13.182 1.00 8.10 H new ATOM 20 N ASN A 7 -17.326 -5.810 8.368 1.00 4.48 N ATOM 21 CA ASN A 7 -17.797 -6.164 7.034 1.00 4.06 C ATOM 22 C ASN A 7 -16.697 -6.865 6.247 1.00 3.11 C ATOM 23 O ASN A 7 -15.606 -7.104 6.765 1.00 3.46 O ATOM 24 CB ASN A 7 -18.249 -4.909 6.289 1.00 4.82 C ATOM 25 CG ASN A 7 -17.228 -3.792 6.462 1.00 5.60 C ATOM 26 OD1 ASN A 7 -16.021 -4.028 6.418 1.00 5.87 O ATOM 27 ND2 ASN A 7 -17.713 -2.572 6.659 1.00 6.34 N ATOM 0 H ASN A 7 -16.621 -5.073 8.383 1.00 4.48 H new ATOM 0 HA ASN A 7 -18.642 -6.845 7.135 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -18.376 -5.133 5.230 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -19.219 -4.585 6.665 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -17.077 -1.784 6.781 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -18.722 -2.423 6.688 1.00 6.34 H new ATOM 34 N ARG A 8 -16.991 -7.195 4.993 1.00 2.49 N ATOM 35 CA ARG A 8 -16.028 -7.872 4.132 1.00 2.11 C ATOM 36 C ARG A 8 -15.011 -6.880 3.581 1.00 1.69 C ATOM 37 O ARG A 8 -15.297 -6.149 2.633 1.00 2.38 O ATOM 38 CB ARG A 8 -16.753 -8.564 2.981 1.00 2.95 C ATOM 39 CG ARG A 8 -16.376 -10.038 2.885 1.00 3.61 C ATOM 40 CD ARG A 8 -17.396 -10.827 2.068 1.00 4.57 C ATOM 41 NE ARG A 8 -16.720 -11.758 1.170 1.00 5.39 N ATOM 42 CZ ARG A 8 -17.337 -12.289 0.120 1.00 6.19 C ATOM 43 NH1 ARG A 8 -18.572 -12.757 0.240 1.00 6.68 N ATOM 44 NH2 ARG A 8 -16.719 -12.353 -1.052 1.00 6.74 N ATOM 0 H ARG A 8 -17.890 -7.004 4.550 1.00 2.49 H new ATOM 0 HA ARG A 8 -15.500 -8.619 4.725 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -17.830 -8.472 3.121 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -16.509 -8.064 2.044 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -15.391 -10.133 2.428 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -16.305 -10.462 3.887 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -18.061 -11.375 2.736 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -18.017 -10.142 1.491 1.00 4.57 H new ATOM 0 HE ARG A 8 -15.748 -12.008 1.353 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -19.050 -12.710 1.140 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -19.044 -13.164 -0.567 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -15.769 -11.994 -1.148 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -17.194 -12.761 -1.857 1.00 6.74 H new ATOM 58 N MET A 9 -13.824 -6.861 4.178 1.00 1.18 N ATOM 59 CA MET A 9 -12.763 -5.960 3.745 1.00 0.82 C ATOM 60 C MET A 9 -12.110 -6.482 2.471 1.00 0.72 C ATOM 61 O MET A 9 -11.806 -7.670 2.361 1.00 0.97 O ATOM 62 CB MET A 9 -11.715 -5.818 4.844 1.00 1.08 C ATOM 63 CG MET A 9 -12.095 -4.731 5.846 1.00 1.61 C ATOM 64 SD MET A 9 -11.059 -4.758 7.318 1.00 2.27 S ATOM 65 CE MET A 9 -12.150 -5.583 8.487 1.00 2.82 C ATOM 0 H MET A 9 -13.573 -7.460 4.964 1.00 1.18 H new ATOM 0 HA MET A 9 -13.200 -4.983 3.540 1.00 0.82 H new ATOM 0 HB2 MET A 9 -11.601 -6.769 5.364 1.00 1.08 H new ATOM 0 HB3 MET A 9 -10.749 -5.581 4.398 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.014 -3.755 5.367 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.138 -4.858 6.137 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.648 -5.675 9.450 1.00 2.82 H new ATOM 0 HE2 MET A 9 -13.063 -4.999 8.607 1.00 2.82 H new ATOM 0 HE3 MET A 9 -12.401 -6.575 8.113 1.00 2.82 H new ATOM 75 N ASP A 10 -11.894 -5.589 1.511 1.00 0.49 N ATOM 76 CA ASP A 10 -11.276 -5.962 0.244 1.00 0.42 C ATOM 77 C ASP A 10 -9.769 -5.757 0.309 1.00 0.38 C ATOM 78 O ASP A 10 -9.289 -4.625 0.390 1.00 0.54 O ATOM 79 CB ASP A 10 -11.866 -5.129 -0.891 1.00 0.44 C ATOM 80 CG ASP A 10 -12.969 -5.907 -1.598 1.00 0.86 C ATOM 81 OD1 ASP A 10 -12.666 -6.962 -2.193 1.00 1.55 O ATOM 82 OD2 ASP A 10 -14.134 -5.459 -1.556 1.00 1.53 O ATOM 0 H ASP A 10 -12.138 -4.601 1.586 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.478 -7.016 0.055 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.266 -4.195 -0.496 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.084 -4.865 -1.603 1.00 0.44 H new ATOM 87 N TYR A 11 -9.024 -6.856 0.276 1.00 0.40 N ATOM 88 CA TYR A 11 -7.569 -6.797 0.335 1.00 0.37 C ATOM 89 C TYR A 11 -6.959 -7.071 -1.034 1.00 0.34 C ATOM 90 O TYR A 11 -7.650 -7.499 -1.959 1.00 0.38 O ATOM 91 CB TYR A 11 -7.047 -7.813 1.346 1.00 0.42 C ATOM 92 CG TYR A 11 -7.273 -9.240 0.915 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.318 -9.899 0.163 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.439 -9.896 1.271 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.525 -11.209 -0.233 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.647 -11.206 0.876 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.689 -11.856 0.125 1.00 0.67 C ATOM 98 OH TYR A 11 -7.897 -13.159 -0.267 1.00 0.78 O ATOM 0 H TYR A 11 -9.405 -7.800 0.209 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.279 -5.794 0.648 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -5.980 -7.650 1.499 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.536 -7.647 2.306 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.407 -9.390 -0.116 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.188 -9.385 1.858 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -5.778 -11.722 -0.820 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.556 -11.718 1.155 1.00 0.63 H new ATOM 0 HH TYR A 11 -8.765 -13.467 0.068 1.00 0.78 H new ATOM 108 N VAL A 12 -5.660 -6.820 -1.153 1.00 0.34 N ATOM 109 CA VAL A 12 -4.945 -7.037 -2.405 1.00 0.34 C ATOM 110 C VAL A 12 -3.447 -6.864 -2.193 1.00 0.35 C ATOM 111 O VAL A 12 -3.007 -5.899 -1.567 1.00 0.51 O ATOM 112 CB VAL A 12 -5.437 -6.054 -3.465 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.095 -4.620 -3.073 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.847 -6.395 -4.831 1.00 0.81 C ATOM 0 H VAL A 12 -5.079 -6.465 -0.394 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.137 -8.054 -2.746 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.522 -6.139 -3.530 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.455 -3.937 -3.842 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.571 -4.379 -2.122 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.014 -4.518 -2.974 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -5.210 -5.683 -5.572 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.759 -6.344 -4.781 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -5.150 -7.402 -5.117 1.00 0.81 H new ATOM 124 N GLU A 13 -2.667 -7.803 -2.714 1.00 0.49 N ATOM 125 CA GLU A 13 -1.215 -7.755 -2.579 1.00 0.54 C ATOM 126 C GLU A 13 -0.568 -7.355 -3.898 1.00 0.50 C ATOM 127 O GLU A 13 -0.886 -7.910 -4.949 1.00 0.60 O ATOM 128 CB GLU A 13 -0.683 -9.114 -2.131 1.00 0.67 C ATOM 129 CG GLU A 13 -1.392 -10.262 -2.846 1.00 1.05 C ATOM 130 CD GLU A 13 -0.756 -11.595 -2.470 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.149 -11.601 -1.609 1.00 1.97 O ATOM 132 OE2 GLU A 13 -1.166 -12.630 -3.035 1.00 2.05 O ATOM 0 H GLU A 13 -3.015 -8.608 -3.235 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.964 -7.008 -1.826 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.388 -9.169 -2.328 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -0.815 -9.219 -1.054 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.449 -10.268 -2.579 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.336 -10.117 -3.925 1.00 1.05 H new ATOM 139 N ILE A 14 0.341 -6.386 -3.837 1.00 0.48 N ATOM 140 CA ILE A 14 1.033 -5.911 -5.029 1.00 0.49 C ATOM 141 C ILE A 14 2.528 -6.189 -4.928 1.00 0.48 C ATOM 142 O ILE A 14 3.139 -5.986 -3.878 1.00 0.43 O ATOM 143 CB ILE A 14 0.793 -4.416 -5.210 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.127 -3.660 -3.927 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.646 -4.146 -5.633 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.141 -2.149 -4.153 1.00 0.63 C ATOM 0 H ILE A 14 0.615 -5.915 -2.975 1.00 0.48 H new ATOM 0 HA ILE A 14 0.639 -6.445 -5.894 1.00 0.49 H new ATOM 0 HB ILE A 14 1.452 -4.059 -6.001 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.396 -3.907 -3.158 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.100 -3.982 -3.557 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.794 -3.073 -5.756 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.848 -4.651 -6.578 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.326 -4.521 -4.868 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.382 -1.643 -3.218 1.00 0.63 H new ATOM 0 HD12 ILE A 14 1.891 -1.900 -4.904 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.160 -1.824 -4.498 1.00 0.63 H new ATOM 158 N ASN A 15 3.110 -6.655 -6.029 1.00 0.59 N ATOM 159 CA ASN A 15 4.534 -6.964 -6.072 1.00 0.62 C ATOM 160 C ASN A 15 5.346 -5.711 -6.372 1.00 0.60 C ATOM 161 O ASN A 15 5.226 -5.121 -7.446 1.00 0.78 O ATOM 162 CB ASN A 15 4.804 -8.023 -7.137 1.00 0.79 C ATOM 163 CG ASN A 15 5.686 -9.129 -6.572 1.00 1.31 C ATOM 164 OD1 ASN A 15 5.352 -10.310 -6.664 1.00 2.20 O ATOM 165 ND2 ASN A 15 6.814 -8.747 -5.986 1.00 1.54 N ATOM 0 H ASN A 15 2.616 -6.827 -6.904 1.00 0.59 H new ATOM 0 HA ASN A 15 4.834 -7.348 -5.097 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.862 -8.444 -7.488 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.290 -7.566 -7.999 1.00 0.79 H new ATOM 0 HD21 ASN A 15 7.444 -9.444 -5.589 1.00 1.54 H new ATOM 0 HD22 ASN A 15 7.051 -7.756 -5.933 1.00 1.54 H new ATOM 172 N ILE A 16 6.175 -5.311 -5.414 1.00 0.49 N ATOM 173 CA ILE A 16 7.015 -4.129 -5.566 1.00 0.49 C ATOM 174 C ILE A 16 8.484 -4.499 -5.408 1.00 0.56 C ATOM 175 O ILE A 16 8.819 -5.467 -4.724 1.00 0.66 O ATOM 176 CB ILE A 16 6.629 -3.084 -4.526 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.121 -2.829 -4.552 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.400 -1.787 -4.747 1.00 0.58 C ATOM 179 CD1 ILE A 16 4.699 -2.049 -5.795 1.00 0.84 C ATOM 0 H ILE A 16 6.283 -5.791 -4.520 1.00 0.49 H new ATOM 0 HA ILE A 16 6.864 -3.717 -6.564 1.00 0.49 H new ATOM 0 HB ILE A 16 6.894 -3.470 -3.542 1.00 0.48 H new ATOM 0 HG12 ILE A 16 4.591 -3.781 -4.523 1.00 0.63 H new ATOM 0 HG13 ILE A 16 4.831 -2.275 -3.659 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.107 -1.057 -3.993 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.470 -1.982 -4.668 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.175 -1.394 -5.739 1.00 0.58 H new ATOM 0 HD11 ILE A 16 3.621 -1.889 -5.775 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.209 -1.086 -5.811 1.00 0.84 H new ATOM 0 HD13 ILE A 16 4.965 -2.615 -6.688 1.00 0.84 H new ATOM 191 N ASP A 17 9.360 -3.729 -6.047 1.00 0.63 N ATOM 192 CA ASP A 17 10.792 -3.986 -5.977 1.00 0.75 C ATOM 193 C ASP A 17 11.580 -2.850 -6.616 1.00 1.00 C ATOM 194 O ASP A 17 11.933 -2.913 -7.793 1.00 1.75 O ATOM 195 CB ASP A 17 11.105 -5.289 -6.690 1.00 1.27 C ATOM 196 CG ASP A 17 9.965 -5.675 -7.623 1.00 1.63 C ATOM 197 OD1 ASP A 17 9.132 -4.799 -7.938 1.00 2.16 O ATOM 198 OD2 ASP A 17 9.908 -6.850 -8.040 1.00 2.21 O ATOM 0 H ASP A 17 9.102 -2.924 -6.618 1.00 0.63 H new ATOM 0 HA ASP A 17 11.082 -4.057 -4.929 1.00 0.75 H new ATOM 0 HB2 ASP A 17 12.029 -5.186 -7.259 1.00 1.27 H new ATOM 0 HB3 ASP A 17 11.268 -6.080 -5.958 1.00 1.27 H new ATOM 203 N HIS A 18 11.858 -1.816 -5.832 1.00 1.27 N ATOM 204 CA HIS A 18 12.609 -0.664 -6.315 1.00 1.85 C ATOM 205 C HIS A 18 12.736 0.381 -5.217 1.00 1.32 C ATOM 206 O HIS A 18 12.472 1.563 -5.437 1.00 2.00 O ATOM 207 CB HIS A 18 11.915 -0.057 -7.531 1.00 2.83 C ATOM 208 CG HIS A 18 12.877 0.532 -8.517 1.00 3.48 C ATOM 209 ND1 HIS A 18 13.506 -0.206 -9.486 1.00 4.01 N ATOM 210 CD2 HIS A 18 13.330 1.799 -8.694 1.00 4.16 C ATOM 211 CE1 HIS A 18 14.296 0.550 -10.214 1.00 4.73 C ATOM 212 NE2 HIS A 18 14.213 1.788 -9.757 1.00 4.84 N ATOM 0 H HIS A 18 11.573 -1.752 -4.855 1.00 1.27 H new ATOM 0 HA HIS A 18 13.607 -0.995 -6.603 1.00 1.85 H new ATOM 0 HB2 HIS A 18 11.321 -0.826 -8.025 1.00 2.83 H new ATOM 0 HB3 HIS A 18 11.223 0.717 -7.199 1.00 2.83 H new ATOM 0 HD2 HIS A 18 13.050 2.662 -8.108 1.00 4.16 H new ATOM 0 HE1 HIS A 18 14.906 0.218 -11.041 1.00 4.73 H new ATOM 0 HE2 HIS A 18 14.715 2.596 -10.126 1.00 4.84 H new ATOM 220 N LYS A 19 13.134 -0.063 -4.030 1.00 0.82 N ATOM 221 CA LYS A 19 13.287 0.833 -2.892 1.00 0.84 C ATOM 222 C LYS A 19 12.004 1.624 -2.673 1.00 0.77 C ATOM 223 O LYS A 19 12.031 2.743 -2.161 1.00 1.13 O ATOM 224 CB LYS A 19 14.453 1.787 -3.130 1.00 1.47 C ATOM 225 CG LYS A 19 15.795 1.110 -2.868 1.00 1.97 C ATOM 226 CD LYS A 19 16.541 0.821 -4.168 1.00 2.72 C ATOM 227 CE LYS A 19 18.040 0.664 -3.931 1.00 3.37 C ATOM 228 NZ LYS A 19 18.798 0.708 -5.213 1.00 4.03 N ATOM 0 H LYS A 19 13.356 -1.039 -3.832 1.00 0.82 H new ATOM 0 HA LYS A 19 13.492 0.239 -2.002 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.423 2.151 -4.157 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.351 2.657 -2.481 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.407 1.748 -2.231 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.634 0.179 -2.325 1.00 1.97 H new ATOM 0 HD2 LYS A 19 16.146 -0.089 -4.621 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.367 1.631 -4.876 1.00 2.72 H new ATOM 0 HE2 LYS A 19 18.391 1.457 -3.271 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.233 -0.281 -3.424 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.814 0.599 -5.020 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.478 -0.064 -5.832 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 18.631 1.620 -5.684 1.00 4.03 H new ATOM 242 N PHE A 20 10.880 1.035 -3.073 1.00 0.63 N ATOM 243 CA PHE A 20 9.581 1.682 -2.930 1.00 0.61 C ATOM 244 C PHE A 20 9.208 1.839 -1.462 1.00 0.62 C ATOM 245 O PHE A 20 8.855 2.930 -1.015 1.00 0.95 O ATOM 246 CB PHE A 20 8.516 0.861 -3.646 1.00 0.62 C ATOM 247 CG PHE A 20 8.067 1.479 -4.945 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.003 1.924 -5.863 1.00 1.08 C ATOM 249 CD2 PHE A 20 6.716 1.606 -5.223 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.590 2.492 -7.056 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.303 2.174 -6.416 1.00 1.17 C ATOM 252 CZ PHE A 20 7.241 2.618 -7.332 1.00 1.19 C ATOM 0 H PHE A 20 10.844 0.109 -3.499 1.00 0.63 H new ATOM 0 HA PHE A 20 9.641 2.674 -3.377 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.906 -0.138 -3.842 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.654 0.743 -2.989 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.057 1.828 -5.648 1.00 1.08 H new ATOM 0 HD2 PHE A 20 5.984 1.261 -4.508 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.322 2.837 -7.771 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.249 2.271 -6.632 1.00 1.17 H new ATOM 0 HZ PHE A 20 6.919 3.063 -8.262 1.00 1.19 H new ATOM 262 N HIS A 21 9.282 0.739 -0.717 1.00 0.53 N ATOM 263 CA HIS A 21 8.944 0.745 0.705 1.00 0.57 C ATOM 264 C HIS A 21 9.592 1.928 1.417 1.00 0.69 C ATOM 265 O HIS A 21 8.903 2.831 1.891 1.00 1.03 O ATOM 266 CB HIS A 21 9.397 -0.562 1.349 1.00 0.54 C ATOM 267 CG HIS A 21 8.523 -1.723 0.991 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.138 -2.683 1.890 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.935 -2.085 -0.179 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.364 -3.577 1.322 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.217 -3.244 0.051 1.00 0.42 N ATOM 0 H HIS A 21 9.574 -0.170 -1.075 1.00 0.53 H new ATOM 0 HA HIS A 21 7.862 0.842 0.800 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.421 -0.776 1.042 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.408 -0.442 2.432 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.416 -2.700 2.871 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.014 -1.561 -1.120 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.924 -4.435 1.808 1.00 0.45 H new ATOM 279 N ARG A 22 10.919 1.919 1.487 1.00 0.68 N ATOM 280 CA ARG A 22 11.656 2.994 2.143 1.00 0.80 C ATOM 281 C ARG A 22 11.242 4.348 1.581 1.00 0.81 C ATOM 282 O ARG A 22 11.102 5.322 2.322 1.00 0.92 O ATOM 283 CB ARG A 22 13.156 2.792 1.951 1.00 0.93 C ATOM 284 CG ARG A 22 13.959 3.918 2.594 1.00 1.64 C ATOM 285 CD ARG A 22 14.043 3.753 4.109 1.00 2.14 C ATOM 286 NE ARG A 22 15.220 2.970 4.470 1.00 2.73 N ATOM 287 CZ ARG A 22 15.567 2.774 5.738 1.00 3.33 C ATOM 288 NH1 ARG A 22 14.687 2.983 6.707 1.00 3.95 N ATOM 289 NH2 ARG A 22 16.794 2.371 6.037 1.00 3.72 N ATOM 0 H ARG A 22 11.506 1.181 1.098 1.00 0.68 H new ATOM 0 HA ARG A 22 11.423 2.972 3.208 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.454 1.838 2.385 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.384 2.743 0.886 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.964 3.935 2.173 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.497 4.876 2.357 1.00 1.64 H new ATOM 0 HD2 ARG A 22 14.089 4.732 4.586 1.00 2.14 H new ATOM 0 HD3 ARG A 22 13.143 3.261 4.478 1.00 2.14 H new ATOM 0 HE ARG A 22 15.791 2.562 3.730 1.00 2.73 H new ATOM 0 HH11 ARG A 22 13.743 3.294 6.480 1.00 3.95 H new ATOM 0 HH12 ARG A 22 14.954 2.832 7.680 1.00 3.95 H new ATOM 0 HH21 ARG A 22 17.474 2.211 5.293 1.00 3.72 H new ATOM 0 HH22 ARG A 22 17.059 2.221 7.011 1.00 3.72 H new ATOM 303 N HIS A 23 11.052 4.404 0.268 1.00 0.90 N ATOM 304 CA HIS A 23 10.658 5.639 -0.398 1.00 0.98 C ATOM 305 C HIS A 23 9.259 6.059 0.031 1.00 0.96 C ATOM 306 O HIS A 23 8.943 7.247 0.079 1.00 1.12 O ATOM 307 CB HIS A 23 10.696 5.447 -1.912 1.00 1.02 C ATOM 308 CG HIS A 23 11.969 5.932 -2.533 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.513 7.163 -2.270 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.822 5.353 -3.416 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.627 7.337 -2.944 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.848 6.247 -3.659 1.00 1.86 N ATOM 0 H HIS A 23 11.165 3.606 -0.358 1.00 0.90 H new ATOM 0 HA HIS A 23 11.360 6.423 -0.113 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.566 4.389 -2.142 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.855 5.976 -2.361 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.718 4.370 -3.851 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.253 8.217 -2.919 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.640 6.092 -4.283 1.00 1.86 H new ATOM 320 N LEU A 24 8.420 5.075 0.339 1.00 0.86 N ATOM 321 CA LEU A 24 7.050 5.340 0.759 1.00 0.87 C ATOM 322 C LEU A 24 6.992 5.692 2.241 1.00 0.97 C ATOM 323 O LEU A 24 6.536 6.774 2.612 1.00 1.16 O ATOM 324 CB LEU A 24 6.179 4.120 0.480 1.00 0.73 C ATOM 325 CG LEU A 24 5.918 3.951 -1.014 1.00 0.76 C ATOM 326 CD1 LEU A 24 5.990 2.480 -1.414 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.568 4.550 -1.393 1.00 1.25 C ATOM 0 H LEU A 24 8.666 4.086 0.305 1.00 0.86 H new ATOM 0 HA LEU A 24 6.675 6.191 0.191 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.667 3.226 0.869 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.230 4.220 1.007 1.00 0.73 H new ATOM 0 HG LEU A 24 6.695 4.487 -1.559 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.801 2.384 -2.483 1.00 0.72 H new ATOM 0 HD12 LEU A 24 6.981 2.089 -1.184 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.240 1.915 -0.861 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.399 4.420 -2.462 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.777 4.046 -0.837 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.561 5.613 -1.151 1.00 1.25 H new ATOM 339 N ILE A 25 7.452 4.775 3.085 1.00 0.92 N ATOM 340 CA ILE A 25 7.446 4.993 4.528 1.00 1.10 C ATOM 341 C ILE A 25 8.195 6.271 4.885 1.00 1.41 C ATOM 342 O ILE A 25 7.944 6.877 5.926 1.00 1.91 O ATOM 343 CB ILE A 25 8.077 3.800 5.240 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.549 3.653 4.859 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.315 2.518 4.921 1.00 1.06 C ATOM 346 CD1 ILE A 25 10.385 3.157 6.036 1.00 0.91 C ATOM 0 H ILE A 25 7.834 3.874 2.796 1.00 0.92 H new ATOM 0 HA ILE A 25 6.412 5.098 4.855 1.00 1.10 H new ATOM 0 HB ILE A 25 8.018 3.980 6.313 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.642 2.956 4.026 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.935 4.613 4.516 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.781 1.679 5.438 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.281 2.618 5.250 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.338 2.339 3.846 1.00 1.06 H new ATOM 0 HD11 ILE A 25 11.427 3.064 5.729 1.00 0.91 H new ATOM 0 HD12 ILE A 25 10.311 3.867 6.859 1.00 0.91 H new ATOM 0 HD13 ILE A 25 10.015 2.185 6.361 1.00 0.91 H new ATOM 358 N GLY A 26 9.115 6.678 4.017 1.00 1.49 N ATOM 359 CA GLY A 26 9.900 7.886 4.243 1.00 1.87 C ATOM 360 C GLY A 26 10.653 7.811 5.564 1.00 1.82 C ATOM 361 O GLY A 26 10.381 8.575 6.491 1.00 2.29 O ATOM 0 H GLY A 26 9.335 6.189 3.150 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.607 8.022 3.425 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.243 8.756 4.244 1.00 1.87 H new ATOM 365 N LYS A 27 11.606 6.886 5.645 1.00 1.86 N ATOM 366 CA LYS A 27 12.404 6.708 6.852 1.00 1.91 C ATOM 367 C LYS A 27 11.557 6.124 7.977 1.00 1.62 C ATOM 368 O LYS A 27 11.778 4.993 8.410 1.00 2.38 O ATOM 369 CB LYS A 27 12.997 8.045 7.289 1.00 2.21 C ATOM 370 CG LYS A 27 14.521 7.989 7.357 1.00 2.65 C ATOM 371 CD LYS A 27 14.999 7.089 8.492 1.00 3.30 C ATOM 372 CE LYS A 27 16.033 7.791 9.366 1.00 3.80 C ATOM 373 NZ LYS A 27 17.409 7.616 8.823 1.00 4.51 N ATOM 0 H LYS A 27 11.844 6.247 4.886 1.00 1.86 H new ATOM 0 HA LYS A 27 13.213 6.012 6.630 1.00 1.91 H new ATOM 0 HB2 LYS A 27 12.692 8.824 6.591 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.599 8.318 8.266 1.00 2.21 H new ATOM 0 HG2 LYS A 27 14.915 7.621 6.410 1.00 2.65 H new ATOM 0 HG3 LYS A 27 14.917 8.995 7.498 1.00 2.65 H new ATOM 0 HD2 LYS A 27 14.148 6.790 9.103 1.00 3.30 H new ATOM 0 HD3 LYS A 27 15.430 6.178 8.078 1.00 3.30 H new ATOM 0 HE2 LYS A 27 15.797 8.853 9.430 1.00 3.80 H new ATOM 0 HE3 LYS A 27 15.986 7.393 10.380 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 18.090 8.104 9.439 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 17.641 6.603 8.785 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 17.458 8.018 7.865 1.00 4.51 H new ATOM 387 N SER A 28 10.590 6.903 8.449 1.00 1.28 N ATOM 388 CA SER A 28 9.710 6.465 9.528 1.00 1.60 C ATOM 389 C SER A 28 8.629 5.535 8.993 1.00 1.60 C ATOM 390 O SER A 28 8.744 4.313 9.085 1.00 2.28 O ATOM 391 CB SER A 28 9.068 7.674 10.200 1.00 1.99 C ATOM 392 OG SER A 28 8.823 8.697 9.244 1.00 2.57 O ATOM 0 H SER A 28 10.395 7.842 8.102 1.00 1.28 H new ATOM 0 HA SER A 28 10.306 5.921 10.261 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.133 7.380 10.676 1.00 1.99 H new ATOM 0 HB3 SER A 28 9.721 8.051 10.987 1.00 1.99 H new ATOM 0 HG SER A 28 8.409 9.467 9.687 1.00 2.57 H new ATOM 398 N GLY A 29 7.575 6.121 8.433 1.00 1.21 N ATOM 399 CA GLY A 29 6.471 5.344 7.882 1.00 1.23 C ATOM 400 C GLY A 29 5.129 5.952 8.267 1.00 1.36 C ATOM 401 O GLY A 29 4.341 5.337 8.984 1.00 2.05 O ATOM 0 H GLY A 29 7.463 7.131 8.349 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.557 5.303 6.796 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.527 4.318 8.246 1.00 1.23 H new ATOM 405 N ALA A 30 4.874 7.165 7.786 1.00 1.00 N ATOM 406 CA ALA A 30 3.625 7.858 8.079 1.00 1.10 C ATOM 407 C ALA A 30 2.742 7.925 6.837 1.00 1.06 C ATOM 408 O ALA A 30 1.524 8.064 6.939 1.00 1.43 O ATOM 409 CB ALA A 30 3.916 9.268 8.584 1.00 1.27 C ATOM 0 H ALA A 30 5.517 7.688 7.191 1.00 1.00 H new ATOM 0 HA ALA A 30 3.096 7.301 8.852 1.00 1.10 H new ATOM 0 HB1 ALA A 30 2.977 9.778 8.800 1.00 1.27 H new ATOM 0 HB2 ALA A 30 4.516 9.213 9.492 1.00 1.27 H new ATOM 0 HB3 ALA A 30 4.463 9.822 7.821 1.00 1.27 H new ATOM 415 N ASN A 31 3.364 7.823 5.664 1.00 0.73 N ATOM 416 CA ASN A 31 2.632 7.873 4.402 1.00 0.69 C ATOM 417 C ASN A 31 1.463 6.898 4.421 1.00 0.60 C ATOM 418 O ASN A 31 0.420 7.154 3.819 1.00 0.58 O ATOM 419 CB ASN A 31 3.568 7.538 3.244 1.00 0.71 C ATOM 420 CG ASN A 31 4.028 8.813 2.547 1.00 1.24 C ATOM 421 OD1 ASN A 31 3.538 9.905 2.838 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.972 8.675 1.624 1.00 1.42 N ATOM 0 H ASN A 31 4.372 7.705 5.562 1.00 0.73 H new ATOM 0 HA ASN A 31 2.241 8.882 4.269 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.432 6.986 3.614 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.058 6.890 2.531 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.320 9.493 1.124 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.350 7.751 1.415 1.00 1.42 H new ATOM 429 N ILE A 32 1.639 5.780 5.119 1.00 0.58 N ATOM 430 CA ILE A 32 0.593 4.769 5.218 1.00 0.56 C ATOM 431 C ILE A 32 -0.708 5.405 5.687 1.00 0.52 C ATOM 432 O ILE A 32 -1.795 5.000 5.276 1.00 0.51 O ATOM 433 CB ILE A 32 1.017 3.672 6.188 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.359 4.265 7.551 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.199 2.885 5.633 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.681 3.176 8.568 1.00 1.07 C ATOM 0 H ILE A 32 2.495 5.552 5.624 1.00 0.58 H new ATOM 0 HA ILE A 32 0.435 4.329 4.233 1.00 0.56 H new ATOM 0 HB ILE A 32 0.180 2.985 6.312 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.212 4.937 7.453 1.00 0.70 H new ATOM 0 HG13 ILE A 32 0.521 4.863 7.910 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.484 2.108 6.342 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.918 2.426 4.685 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.042 3.558 5.474 1.00 0.69 H new ATOM 0 HD11 ILE A 32 1.920 3.634 9.528 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.818 2.520 8.684 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.535 2.595 8.221 1.00 1.07 H new ATOM 448 N ASN A 33 -0.587 6.414 6.545 1.00 0.56 N ATOM 449 CA ASN A 33 -1.749 7.121 7.067 1.00 0.59 C ATOM 450 C ASN A 33 -2.235 8.146 6.051 1.00 0.54 C ATOM 451 O ASN A 33 -3.432 8.409 5.941 1.00 0.55 O ATOM 452 CB ASN A 33 -1.394 7.816 8.377 1.00 0.71 C ATOM 453 CG ASN A 33 -2.587 7.805 9.324 1.00 0.97 C ATOM 454 OD1 ASN A 33 -3.137 6.622 9.567 1.00 1.51 O flip ATOM 455 ND2 ASN A 33 -3.004 8.849 9.827 1.00 1.62 N flip ATOM 0 H ASN A 33 0.307 6.760 6.893 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.545 6.400 7.253 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.546 7.315 8.844 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -1.088 8.843 8.180 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.549 9.736 9.611 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -3.804 8.826 10.459 1.00 1.62 H new ATOM 462 N ARG A 34 -1.294 8.716 5.305 1.00 0.55 N ATOM 463 CA ARG A 34 -1.618 9.711 4.289 1.00 0.56 C ATOM 464 C ARG A 34 -2.690 9.177 3.351 1.00 0.48 C ATOM 465 O ARG A 34 -3.718 9.820 3.137 1.00 0.48 O ATOM 466 CB ARG A 34 -0.365 10.070 3.497 1.00 0.65 C ATOM 467 CG ARG A 34 -0.640 11.172 2.479 1.00 0.89 C ATOM 468 CD ARG A 34 0.574 12.074 2.289 1.00 1.22 C ATOM 469 NE ARG A 34 0.762 12.382 0.877 1.00 1.69 N ATOM 470 CZ ARG A 34 0.994 13.622 0.459 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.235 14.085 0.409 1.00 2.90 N ATOM 472 NH2 ARG A 34 -0.014 14.399 0.089 1.00 2.78 N ATOM 0 H ARG A 34 -0.299 8.505 5.385 1.00 0.55 H new ATOM 0 HA ARG A 34 -1.998 10.606 4.782 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.419 10.394 4.182 1.00 0.65 H new ATOM 0 HB3 ARG A 34 0.007 9.184 2.983 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.916 10.725 1.524 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.490 11.769 2.809 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.442 12.996 2.854 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.464 11.584 2.683 1.00 1.22 H new ATOM 0 HE ARG A 34 0.714 11.627 0.193 1.00 1.69 H new ATOM 0 HH11 ARG A 34 3.013 13.489 0.692 1.00 2.90 H new ATOM 0 HH12 ARG A 34 2.412 15.037 0.088 1.00 2.90 H new ATOM 0 HH21 ARG A 34 -0.970 14.046 0.125 1.00 2.78 H new ATOM 0 HH22 ARG A 34 0.166 15.350 -0.231 1.00 2.78 H new ATOM 486 N ILE A 35 -2.447 7.993 2.796 1.00 0.45 N ATOM 487 CA ILE A 35 -3.396 7.366 1.886 1.00 0.40 C ATOM 488 C ILE A 35 -4.604 6.859 2.663 1.00 0.34 C ATOM 489 O ILE A 35 -5.748 7.150 2.315 1.00 0.34 O ATOM 490 CB ILE A 35 -2.727 6.215 1.141 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.532 6.721 0.335 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.722 5.505 0.229 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.254 6.727 1.167 1.00 1.29 C ATOM 0 H ILE A 35 -1.600 7.449 2.962 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.730 8.105 1.158 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.370 5.497 1.879 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.392 6.091 -0.543 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.737 7.729 -0.026 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.221 4.689 -0.291 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.542 5.106 0.826 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.116 6.212 -0.501 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.574 7.093 0.560 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.386 7.378 2.031 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -0.036 5.714 1.506 1.00 1.29 H new ATOM 505 N LYS A 36 -4.337 6.105 3.727 1.00 0.35 N ATOM 506 CA LYS A 36 -5.390 5.555 4.577 1.00 0.36 C ATOM 507 C LYS A 36 -6.426 6.624 4.909 1.00 0.39 C ATOM 508 O LYS A 36 -7.603 6.323 5.109 1.00 0.51 O ATOM 509 CB LYS A 36 -4.775 5.006 5.863 1.00 0.44 C ATOM 510 CG LYS A 36 -5.840 4.532 6.849 1.00 1.09 C ATOM 511 CD LYS A 36 -5.905 5.435 8.078 1.00 1.41 C ATOM 512 CE LYS A 36 -7.218 5.262 8.837 1.00 2.17 C ATOM 513 NZ LYS A 36 -8.206 6.309 8.457 1.00 2.76 N ATOM 0 H LYS A 36 -3.392 5.860 4.023 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.889 4.748 4.040 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.110 4.177 5.622 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.165 5.778 6.332 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.812 4.516 6.356 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.622 3.510 7.158 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -5.069 5.209 8.740 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.796 6.475 7.771 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -7.633 4.276 8.630 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -7.029 5.310 9.909 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -9.087 6.164 8.990 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -7.818 7.249 8.678 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -8.403 6.247 7.438 1.00 2.76 H new ATOM 527 N ASP A 37 -5.981 7.874 4.958 1.00 0.40 N ATOM 528 CA ASP A 37 -6.866 8.994 5.255 1.00 0.45 C ATOM 529 C ASP A 37 -7.380 9.608 3.961 1.00 0.44 C ATOM 530 O ASP A 37 -8.480 10.158 3.912 1.00 0.60 O ATOM 531 CB ASP A 37 -6.123 10.048 6.071 1.00 0.51 C ATOM 532 CG ASP A 37 -7.038 11.228 6.370 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.197 10.995 6.771 1.00 1.37 O ATOM 534 OD2 ASP A 37 -6.594 12.384 6.204 1.00 1.56 O ATOM 0 H ASP A 37 -5.009 8.138 4.795 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.713 8.629 5.837 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.766 9.611 7.003 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.245 10.390 5.523 1.00 0.51 H new ATOM 539 N GLN A 38 -6.572 9.504 2.911 1.00 0.41 N ATOM 540 CA GLN A 38 -6.928 10.039 1.604 1.00 0.46 C ATOM 541 C GLN A 38 -7.890 9.104 0.892 1.00 0.42 C ATOM 542 O GLN A 38 -9.050 9.444 0.654 1.00 0.68 O ATOM 543 CB GLN A 38 -5.669 10.209 0.763 1.00 0.54 C ATOM 544 CG GLN A 38 -5.973 10.824 -0.595 1.00 0.65 C ATOM 545 CD GLN A 38 -5.680 12.319 -0.577 1.00 1.05 C ATOM 546 OE1 GLN A 38 -4.523 12.737 -0.543 1.00 1.65 O ATOM 547 NE2 GLN A 38 -6.734 13.128 -0.602 1.00 1.66 N ATOM 0 H GLN A 38 -5.659 9.050 2.942 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.413 11.005 1.741 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.958 10.840 1.297 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.192 9.239 0.624 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.373 10.338 -1.364 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.019 10.655 -0.852 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -7.676 12.738 -0.630 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -6.601 14.139 -0.593 1.00 1.66 H new ATOM 556 N TYR A 39 -7.393 7.924 0.551 1.00 0.34 N ATOM 557 CA TYR A 39 -8.192 6.920 -0.143 1.00 0.34 C ATOM 558 C TYR A 39 -9.061 6.125 0.831 1.00 0.30 C ATOM 559 O TYR A 39 -9.747 5.186 0.426 1.00 0.32 O ATOM 560 CB TYR A 39 -7.277 5.969 -0.911 1.00 0.39 C ATOM 561 CG TYR A 39 -6.528 6.643 -2.034 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.519 7.546 -1.752 1.00 0.53 C ATOM 563 CD2 TYR A 39 -6.846 6.359 -3.351 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.831 8.163 -2.783 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.158 6.974 -4.381 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.159 7.881 -4.092 1.00 0.66 C ATOM 567 OH TYR A 39 -4.469 8.486 -5.117 1.00 0.77 O ATOM 0 H TYR A 39 -6.434 7.635 0.744 1.00 0.34 H new ATOM 0 HA TYR A 39 -8.852 7.439 -0.839 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.560 5.527 -0.219 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -7.872 5.152 -1.319 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.267 7.770 -0.726 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.634 5.655 -3.575 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.039 8.864 -2.562 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.402 6.745 -5.408 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.824 8.178 -5.977 1.00 0.77 H new ATOM 577 N LYS A 40 -9.033 6.491 2.115 1.00 0.28 N ATOM 578 CA LYS A 40 -9.825 5.789 3.123 1.00 0.31 C ATOM 579 C LYS A 40 -9.579 4.288 3.024 1.00 0.29 C ATOM 580 O LYS A 40 -10.516 3.493 2.950 1.00 0.39 O ATOM 581 CB LYS A 40 -11.308 6.095 2.925 1.00 0.38 C ATOM 582 CG LYS A 40 -11.957 6.587 4.215 1.00 0.86 C ATOM 583 CD LYS A 40 -11.890 5.535 5.318 1.00 1.29 C ATOM 584 CE LYS A 40 -12.144 6.145 6.693 1.00 1.88 C ATOM 585 NZ LYS A 40 -11.393 5.418 7.755 1.00 2.56 N ATOM 0 H LYS A 40 -8.474 7.264 2.477 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.525 6.130 4.114 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.424 6.850 2.148 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.822 5.199 2.577 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.458 7.497 4.549 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -12.998 6.847 4.023 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.627 4.756 5.123 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -10.910 5.057 5.307 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -11.848 7.194 6.688 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -13.211 6.116 6.915 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -11.518 5.906 8.665 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -11.754 4.446 7.831 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -10.382 5.394 7.511 1.00 2.56 H new ATOM 599 N VAL A 41 -8.305 3.914 3.002 1.00 0.23 N ATOM 600 CA VAL A 41 -7.914 2.515 2.886 1.00 0.23 C ATOM 601 C VAL A 41 -6.926 2.129 3.979 1.00 0.27 C ATOM 602 O VAL A 41 -6.664 2.906 4.897 1.00 0.33 O ATOM 603 CB VAL A 41 -7.284 2.293 1.515 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.334 2.404 0.420 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.160 3.297 1.276 1.00 0.23 C ATOM 0 H VAL A 41 -7.522 4.564 3.063 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.799 1.889 3.000 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.863 1.288 1.489 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.866 2.243 -0.551 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.107 1.652 0.579 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.783 3.397 0.446 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.721 3.125 0.293 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.561 4.310 1.322 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.394 3.175 2.042 1.00 0.23 H new ATOM 615 N SER A 42 -6.378 0.922 3.875 1.00 0.29 N ATOM 616 CA SER A 42 -5.414 0.429 4.849 1.00 0.34 C ATOM 617 C SER A 42 -4.164 -0.083 4.143 1.00 0.30 C ATOM 618 O SER A 42 -4.078 -1.258 3.785 1.00 0.36 O ATOM 619 CB SER A 42 -6.035 -0.689 5.678 1.00 0.43 C ATOM 620 OG SER A 42 -5.577 -0.620 7.022 1.00 0.93 O ATOM 0 H SER A 42 -6.587 0.266 3.122 1.00 0.29 H new ATOM 0 HA SER A 42 -5.134 1.250 5.509 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.122 -0.609 5.653 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.776 -1.657 5.248 1.00 0.43 H new ATOM 0 HG SER A 42 -5.985 -1.342 7.544 1.00 0.93 H new ATOM 626 N VAL A 43 -3.197 0.807 3.944 1.00 0.33 N ATOM 627 CA VAL A 43 -1.948 0.449 3.282 1.00 0.34 C ATOM 628 C VAL A 43 -0.899 0.061 4.315 1.00 0.35 C ATOM 629 O VAL A 43 -0.759 0.720 5.346 1.00 0.55 O ATOM 630 CB VAL A 43 -1.447 1.621 2.443 1.00 0.49 C ATOM 631 CG1 VAL A 43 -0.267 1.198 1.573 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.573 2.189 1.585 1.00 1.25 C ATOM 0 H VAL A 43 -3.255 1.784 4.233 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.129 -0.404 2.627 1.00 0.34 H new ATOM 0 HB VAL A 43 -1.106 2.404 3.121 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.074 2.049 0.983 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.546 0.848 2.208 1.00 0.54 H new ATOM 0 HG13 VAL A 43 -0.577 0.395 0.905 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -2.195 3.024 0.995 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.949 1.413 0.918 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.381 2.537 2.229 1.00 1.25 H new ATOM 642 N ARG A 44 -0.168 -1.016 4.041 1.00 0.31 N ATOM 643 CA ARG A 44 0.862 -1.490 4.959 1.00 0.42 C ATOM 644 C ARG A 44 2.146 -1.836 4.213 1.00 0.40 C ATOM 645 O ARG A 44 2.121 -2.551 3.211 1.00 0.41 O ATOM 646 CB ARG A 44 0.361 -2.719 5.712 1.00 0.52 C ATOM 647 CG ARG A 44 -0.294 -2.341 7.038 1.00 0.78 C ATOM 648 CD ARG A 44 -1.700 -2.924 7.157 1.00 1.05 C ATOM 649 NE ARG A 44 -1.965 -3.338 8.530 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.176 -4.610 8.848 1.00 1.74 C ATOM 651 NH1 ARG A 44 -3.400 -5.116 8.790 1.00 2.28 N ATOM 652 NH2 ARG A 44 -1.164 -5.379 9.224 1.00 2.27 N ATOM 0 H ARG A 44 -0.269 -1.575 3.194 1.00 0.31 H new ATOM 0 HA ARG A 44 1.080 -0.690 5.666 1.00 0.42 H new ATOM 0 HB2 ARG A 44 -0.356 -3.258 5.093 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.194 -3.397 5.898 1.00 0.52 H new ATOM 0 HG2 ARG A 44 0.321 -2.700 7.863 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -0.341 -1.255 7.125 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.436 -2.182 6.846 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.805 -3.777 6.487 1.00 1.05 H new ATOM 0 HE ARG A 44 -1.989 -2.632 9.266 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -4.182 -4.528 8.501 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -3.560 -6.093 9.035 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -0.221 -4.994 9.270 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -1.329 -6.356 9.468 1.00 2.27 H new ATOM 666 N ILE A 45 3.267 -1.335 4.719 1.00 0.46 N ATOM 667 CA ILE A 45 4.570 -1.596 4.118 1.00 0.47 C ATOM 668 C ILE A 45 5.300 -2.673 4.925 1.00 0.53 C ATOM 669 O ILE A 45 5.829 -2.398 6.002 1.00 0.64 O ATOM 670 CB ILE A 45 5.389 -0.296 4.070 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.846 0.633 2.983 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.880 -0.562 3.841 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.202 0.136 1.581 1.00 0.56 C ATOM 0 H ILE A 45 3.299 -0.743 5.549 1.00 0.46 H new ATOM 0 HA ILE A 45 4.439 -1.957 3.098 1.00 0.47 H new ATOM 0 HB ILE A 45 5.289 0.187 5.042 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.763 0.709 3.078 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.249 1.635 3.127 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.419 0.385 3.814 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.269 -1.178 4.652 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.015 -1.083 2.893 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.798 0.823 0.838 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.286 0.085 1.477 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.776 -0.856 1.427 1.00 0.56 H new ATOM 685 N PRO A 46 5.335 -3.919 4.415 1.00 0.48 N ATOM 686 CA PRO A 46 6.003 -5.029 5.102 1.00 0.58 C ATOM 687 C PRO A 46 7.524 -4.951 4.979 1.00 0.61 C ATOM 688 O PRO A 46 8.076 -5.142 3.895 1.00 0.56 O ATOM 689 CB PRO A 46 5.452 -6.266 4.399 1.00 0.57 C ATOM 690 CG PRO A 46 5.038 -5.807 3.042 1.00 0.47 C ATOM 691 CD PRO A 46 4.730 -4.337 3.141 1.00 0.41 C ATOM 0 HA PRO A 46 5.813 -5.026 6.175 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.208 -7.049 4.334 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.607 -6.684 4.946 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.832 -5.985 2.317 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.164 -6.361 2.699 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.153 -3.785 2.301 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.655 -4.155 3.133 1.00 0.41 H new ATOM 699 N PRO A 47 8.227 -4.669 6.091 1.00 0.74 N ATOM 700 CA PRO A 47 9.690 -4.570 6.089 1.00 0.81 C ATOM 701 C PRO A 47 10.356 -5.939 6.005 1.00 0.87 C ATOM 702 O PRO A 47 9.859 -6.916 6.565 1.00 1.53 O ATOM 703 CB PRO A 47 10.008 -3.881 7.413 1.00 0.98 C ATOM 704 CG PRO A 47 8.856 -4.193 8.309 1.00 1.03 C ATOM 705 CD PRO A 47 7.654 -4.427 7.428 1.00 0.85 C ATOM 0 HA PRO A 47 10.065 -4.024 5.224 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.944 -4.250 7.833 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.121 -2.805 7.279 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.067 -5.075 8.914 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.672 -3.370 9.000 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.069 -5.280 7.771 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.988 -3.564 7.426 1.00 0.85 H new ATOM 713 N ASP A 48 11.482 -6.004 5.302 1.00 1.32 N ATOM 714 CA ASP A 48 12.218 -7.253 5.145 1.00 1.46 C ATOM 715 C ASP A 48 11.366 -8.287 4.419 1.00 1.48 C ATOM 716 O ASP A 48 10.171 -8.416 4.683 1.00 2.18 O ATOM 717 CB ASP A 48 12.631 -7.789 6.512 1.00 2.16 C ATOM 718 CG ASP A 48 11.943 -9.120 6.787 1.00 2.56 C ATOM 719 OD1 ASP A 48 10.723 -9.221 6.543 1.00 3.03 O ATOM 720 OD2 ASP A 48 12.627 -10.061 7.245 1.00 3.01 O ATOM 0 H ASP A 48 11.905 -5.204 4.831 1.00 1.32 H new ATOM 0 HA ASP A 48 13.111 -7.058 4.551 1.00 1.46 H new ATOM 0 HB2 ASP A 48 13.713 -7.917 6.549 1.00 2.16 H new ATOM 0 HB3 ASP A 48 12.369 -7.069 7.287 1.00 2.16 H new ATOM 725 N SER A 49 11.988 -9.023 3.504 1.00 1.59 N ATOM 726 CA SER A 49 11.286 -10.047 2.739 1.00 2.11 C ATOM 727 C SER A 49 12.268 -11.063 2.174 1.00 1.90 C ATOM 728 O SER A 49 13.467 -10.799 2.083 1.00 2.33 O ATOM 729 CB SER A 49 10.496 -9.400 1.605 1.00 3.03 C ATOM 730 OG SER A 49 9.221 -8.977 2.064 1.00 3.81 O ATOM 0 H SER A 49 12.977 -8.929 3.274 1.00 1.59 H new ATOM 0 HA SER A 49 10.597 -10.566 3.406 1.00 2.11 H new ATOM 0 HB2 SER A 49 11.048 -8.547 1.210 1.00 3.03 H new ATOM 0 HB3 SER A 49 10.377 -10.109 0.786 1.00 3.03 H new ATOM 0 HG SER A 49 9.283 -8.714 3.006 1.00 3.81 H new ATOM 736 N GLU A 50 11.754 -12.228 1.794 1.00 1.92 N ATOM 737 CA GLU A 50 12.585 -13.290 1.237 1.00 2.27 C ATOM 738 C GLU A 50 12.674 -13.162 -0.278 1.00 2.09 C ATOM 739 O GLU A 50 13.765 -13.066 -0.840 1.00 2.74 O ATOM 740 CB GLU A 50 12.006 -14.652 1.609 1.00 3.06 C ATOM 741 CG GLU A 50 13.105 -15.661 1.933 1.00 3.83 C ATOM 742 CD GLU A 50 12.560 -17.080 1.853 1.00 4.43 C ATOM 743 OE1 GLU A 50 11.694 -17.338 0.991 1.00 4.97 O ATOM 744 OE2 GLU A 50 13.000 -17.932 2.653 1.00 4.75 O ATOM 0 H GLU A 50 10.763 -12.461 1.862 1.00 1.92 H new ATOM 0 HA GLU A 50 13.588 -13.199 1.653 1.00 2.27 H new ATOM 0 HB2 GLU A 50 11.345 -14.544 2.469 1.00 3.06 H new ATOM 0 HB3 GLU A 50 11.399 -15.027 0.785 1.00 3.06 H new ATOM 0 HG2 GLU A 50 13.934 -15.543 1.235 1.00 3.83 H new ATOM 0 HG3 GLU A 50 13.499 -15.471 2.931 1.00 3.83 H new ATOM 751 N LYS A 51 11.520 -13.165 -0.938 1.00 1.76 N ATOM 752 CA LYS A 51 11.467 -13.051 -2.391 1.00 1.77 C ATOM 753 C LYS A 51 10.710 -11.795 -2.804 1.00 1.55 C ATOM 754 O LYS A 51 9.483 -11.743 -2.720 1.00 2.20 O ATOM 755 CB LYS A 51 10.787 -14.281 -2.986 1.00 2.14 C ATOM 756 CG LYS A 51 11.785 -15.404 -3.249 1.00 2.60 C ATOM 757 CD LYS A 51 11.101 -16.641 -3.826 1.00 3.36 C ATOM 758 CE LYS A 51 10.610 -17.577 -2.725 1.00 4.12 C ATOM 759 NZ LYS A 51 11.747 -18.145 -1.949 1.00 4.81 N ATOM 0 H LYS A 51 10.608 -13.245 -0.489 1.00 1.76 H new ATOM 0 HA LYS A 51 12.487 -12.984 -2.769 1.00 1.77 H new ATOM 0 HB2 LYS A 51 10.013 -14.634 -2.305 1.00 2.14 H new ATOM 0 HB3 LYS A 51 10.292 -14.008 -3.918 1.00 2.14 H new ATOM 0 HG2 LYS A 51 12.552 -15.055 -3.941 1.00 2.60 H new ATOM 0 HG3 LYS A 51 12.290 -15.667 -2.320 1.00 2.60 H new ATOM 0 HD2 LYS A 51 10.259 -16.335 -4.447 1.00 3.36 H new ATOM 0 HD3 LYS A 51 11.797 -17.174 -4.473 1.00 3.36 H new ATOM 0 HE2 LYS A 51 9.944 -17.034 -2.054 1.00 4.12 H new ATOM 0 HE3 LYS A 51 10.028 -18.386 -3.166 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 11.707 -19.184 -1.985 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 12.645 -17.818 -2.359 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 11.684 -17.830 -0.960 1.00 4.81 H new ATOM 773 N SER A 52 11.450 -10.786 -3.256 1.00 1.19 N ATOM 774 CA SER A 52 10.851 -9.529 -3.687 1.00 1.04 C ATOM 775 C SER A 52 9.972 -8.949 -2.587 1.00 0.92 C ATOM 776 O SER A 52 9.692 -9.612 -1.588 1.00 1.19 O ATOM 777 CB SER A 52 10.025 -9.758 -4.944 1.00 1.25 C ATOM 778 OG SER A 52 10.868 -9.887 -6.079 1.00 2.03 O ATOM 0 H SER A 52 12.467 -10.816 -3.333 1.00 1.19 H new ATOM 0 HA SER A 52 11.649 -8.818 -3.903 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.420 -10.658 -4.829 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.335 -8.926 -5.089 1.00 1.25 H new ATOM 0 HG SER A 52 10.320 -10.035 -6.878 1.00 2.03 H new ATOM 784 N ASN A 53 9.540 -7.705 -2.773 1.00 0.68 N ATOM 785 CA ASN A 53 8.694 -7.038 -1.795 1.00 0.61 C ATOM 786 C ASN A 53 7.235 -7.105 -2.220 1.00 0.59 C ATOM 787 O ASN A 53 6.914 -6.973 -3.401 1.00 0.99 O ATOM 788 CB ASN A 53 9.122 -5.585 -1.644 1.00 0.60 C ATOM 789 CG ASN A 53 10.587 -5.508 -1.242 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.006 -6.116 -0.257 1.00 1.68 O ATOM 791 ND2 ASN A 53 11.369 -4.758 -2.008 1.00 1.28 N ATOM 0 H ASN A 53 9.763 -7.141 -3.593 1.00 0.68 H new ATOM 0 HA ASN A 53 8.803 -7.546 -0.837 1.00 0.61 H new ATOM 0 HB2 ASN A 53 8.966 -5.053 -2.583 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.505 -5.093 -0.893 1.00 0.60 H new ATOM 0 HD21 ASN A 53 12.361 -4.668 -1.790 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.978 -4.272 -2.815 1.00 1.28 H new ATOM 798 N LEU A 54 6.354 -7.312 -1.249 1.00 0.55 N ATOM 799 CA LEU A 54 4.925 -7.397 -1.519 1.00 0.51 C ATOM 800 C LEU A 54 4.147 -6.547 -0.525 1.00 0.44 C ATOM 801 O LEU A 54 3.925 -6.955 0.614 1.00 0.57 O ATOM 802 CB LEU A 54 4.465 -8.849 -1.435 1.00 0.65 C ATOM 803 CG LEU A 54 4.107 -9.404 -2.811 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.203 -10.334 -3.320 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.762 -10.123 -2.769 1.00 1.49 C ATOM 0 H LEU A 54 6.605 -7.424 -0.267 1.00 0.55 H new ATOM 0 HA LEU A 54 4.736 -7.020 -2.524 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.254 -9.456 -0.991 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.599 -8.920 -0.777 1.00 0.65 H new ATOM 0 HG LEU A 54 4.023 -8.568 -3.505 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.927 -10.718 -4.302 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.141 -9.784 -3.396 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.326 -11.166 -2.626 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.526 -10.511 -3.760 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.813 -10.948 -2.059 1.00 1.49 H new ATOM 0 HD23 LEU A 54 1.985 -9.424 -2.458 1.00 1.49 H new ATOM 817 N ILE A 55 3.734 -5.362 -0.962 1.00 0.31 N ATOM 818 CA ILE A 55 2.982 -4.453 -0.107 1.00 0.26 C ATOM 819 C ILE A 55 1.572 -4.981 0.118 1.00 0.27 C ATOM 820 O ILE A 55 0.944 -5.510 -0.799 1.00 0.34 O ATOM 821 CB ILE A 55 2.919 -3.066 -0.735 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.323 -2.561 -1.060 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.196 -2.090 0.188 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.300 -1.129 -1.588 1.00 0.35 C ATOM 0 H ILE A 55 3.908 -5.009 -1.903 1.00 0.31 H new ATOM 0 HA ILE A 55 3.492 -4.385 0.854 1.00 0.26 H new ATOM 0 HB ILE A 55 2.356 -3.136 -1.666 1.00 0.27 H new ATOM 0 HG12 ILE A 55 4.943 -2.609 -0.165 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.782 -3.215 -1.801 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.162 -1.106 -0.279 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.180 -2.443 0.366 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.729 -2.024 1.137 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.318 -0.806 -1.808 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.701 -1.086 -2.498 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.865 -0.471 -0.836 1.00 0.35 H new ATOM 836 N ARG A 56 1.081 -4.835 1.344 1.00 0.29 N ATOM 837 CA ARG A 56 -0.255 -5.298 1.691 1.00 0.32 C ATOM 838 C ARG A 56 -1.240 -4.140 1.705 1.00 0.29 C ATOM 839 O ARG A 56 -1.139 -3.232 2.531 1.00 0.42 O ATOM 840 CB ARG A 56 -0.235 -5.981 3.053 1.00 0.42 C ATOM 841 CG ARG A 56 0.310 -7.401 2.953 1.00 0.55 C ATOM 842 CD ARG A 56 1.549 -7.589 3.823 1.00 0.84 C ATOM 843 NE ARG A 56 1.173 -8.089 5.141 1.00 1.44 N ATOM 844 CZ ARG A 56 1.762 -9.150 5.683 1.00 1.77 C ATOM 845 NH1 ARG A 56 3.049 -9.380 5.462 1.00 2.19 N ATOM 846 NH2 ARG A 56 1.066 -9.981 6.447 1.00 2.33 N ATOM 0 H ARG A 56 1.590 -4.399 2.113 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.576 -6.015 0.936 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.378 -5.402 3.744 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.244 -6.005 3.465 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.460 -8.109 3.258 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.556 -7.625 1.915 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.235 -8.288 3.344 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.078 -6.641 3.924 1.00 0.84 H new ATOM 0 HE ARG A 56 0.437 -7.611 5.661 1.00 1.44 H new ATOM 0 HH11 ARG A 56 3.588 -8.742 4.876 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.500 -10.194 5.878 1.00 2.19 H new ATOM 0 HH21 ARG A 56 0.076 -9.807 6.620 1.00 2.33 H new ATOM 0 HH22 ARG A 56 1.521 -10.794 6.862 1.00 2.33 H new ATOM 860 N ILE A 57 -2.197 -4.182 0.788 1.00 0.24 N ATOM 861 CA ILE A 57 -3.214 -3.143 0.687 1.00 0.24 C ATOM 862 C ILE A 57 -4.594 -3.741 0.923 1.00 0.26 C ATOM 863 O ILE A 57 -4.873 -4.860 0.495 1.00 0.40 O ATOM 864 CB ILE A 57 -3.162 -2.491 -0.690 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.721 -2.163 -1.076 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.028 -1.236 -0.729 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.100 -1.145 -0.124 1.00 1.32 C ATOM 0 H ILE A 57 -2.291 -4.929 0.100 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.019 -2.385 1.446 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.559 -3.200 -1.417 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.126 -3.076 -1.071 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.697 -1.772 -2.093 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.975 -0.788 -1.721 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.061 -1.500 -0.505 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.667 -0.522 0.011 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.075 -0.937 -0.431 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.680 -0.223 -0.149 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.101 -1.547 0.889 1.00 1.32 H new ATOM 879 N GLU A 58 -5.456 -2.998 1.609 1.00 0.23 N ATOM 880 CA GLU A 58 -6.804 -3.478 1.894 1.00 0.25 C ATOM 881 C GLU A 58 -7.685 -2.356 2.423 1.00 0.24 C ATOM 882 O GLU A 58 -7.279 -1.577 3.285 1.00 0.26 O ATOM 883 CB GLU A 58 -6.743 -4.613 2.911 1.00 0.32 C ATOM 884 CG GLU A 58 -8.135 -5.129 3.263 1.00 0.37 C ATOM 885 CD GLU A 58 -8.060 -6.086 4.446 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.259 -5.829 5.370 1.00 1.47 O ATOM 887 OE2 GLU A 58 -8.801 -7.091 4.446 1.00 1.56 O ATOM 0 H GLU A 58 -5.248 -2.069 1.975 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.241 -3.844 0.965 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.143 -5.430 2.510 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.244 -4.265 3.816 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.790 -4.292 3.504 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.570 -5.637 2.402 1.00 0.37 H new ATOM 894 N GLY A 59 -8.901 -2.292 1.895 1.00 0.25 N ATOM 895 CA GLY A 59 -9.874 -1.284 2.291 1.00 0.27 C ATOM 896 C GLY A 59 -11.281 -1.828 2.105 1.00 0.39 C ATOM 897 O GLY A 59 -11.713 -2.715 2.842 1.00 0.59 O ATOM 0 H GLY A 59 -9.239 -2.937 1.181 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.717 -1.003 3.332 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.741 -0.382 1.694 1.00 0.27 H new ATOM 901 N ASP A 60 -11.990 -1.312 1.109 1.00 0.53 N ATOM 902 CA ASP A 60 -13.342 -1.776 0.830 1.00 0.70 C ATOM 903 C ASP A 60 -13.897 -1.138 -0.438 1.00 0.59 C ATOM 904 O ASP A 60 -14.134 -1.826 -1.432 1.00 1.04 O ATOM 905 CB ASP A 60 -14.253 -1.478 2.014 1.00 1.22 C ATOM 906 CG ASP A 60 -14.530 -2.752 2.802 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.085 -3.705 2.215 1.00 2.31 O ATOM 908 OD2 ASP A 60 -14.193 -2.795 4.003 1.00 2.66 O ATOM 0 H ASP A 60 -11.654 -0.578 0.486 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.303 -2.854 0.672 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.787 -0.736 2.662 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.191 -1.049 1.661 1.00 1.22 H new ATOM 913 N PRO A 61 -14.113 0.187 -0.431 1.00 0.72 N ATOM 914 CA PRO A 61 -14.645 0.893 -1.602 1.00 1.14 C ATOM 915 C PRO A 61 -13.611 0.999 -2.715 1.00 0.88 C ATOM 916 O PRO A 61 -12.586 0.318 -2.688 1.00 1.22 O ATOM 917 CB PRO A 61 -15.016 2.269 -1.054 1.00 1.82 C ATOM 918 CG PRO A 61 -14.145 2.462 0.141 1.00 1.82 C ATOM 919 CD PRO A 61 -13.859 1.095 0.702 1.00 1.17 C ATOM 0 HA PRO A 61 -15.491 0.374 -2.053 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.844 3.048 -1.797 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.071 2.314 -0.784 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.219 2.967 -0.134 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.641 3.087 0.883 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.831 1.015 1.055 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.506 0.867 1.549 1.00 1.17 H new ATOM 927 N GLN A 62 -13.883 1.860 -3.688 1.00 0.64 N ATOM 928 CA GLN A 62 -12.970 2.059 -4.807 1.00 0.47 C ATOM 929 C GLN A 62 -11.638 2.636 -4.325 1.00 0.41 C ATOM 930 O GLN A 62 -10.655 2.643 -5.066 1.00 0.47 O ATOM 931 CB GLN A 62 -13.603 2.995 -5.831 1.00 0.69 C ATOM 932 CG GLN A 62 -14.800 2.346 -6.518 1.00 0.85 C ATOM 933 CD GLN A 62 -14.958 2.887 -7.933 1.00 1.34 C ATOM 934 OE1 GLN A 62 -14.500 2.276 -8.898 1.00 2.14 O ATOM 935 NE2 GLN A 62 -15.610 4.038 -8.057 1.00 1.73 N ATOM 0 H GLN A 62 -14.727 2.431 -3.725 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.777 1.092 -5.272 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.920 3.914 -5.338 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.860 3.274 -6.579 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.668 1.264 -6.548 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.706 2.540 -5.944 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -15.973 4.510 -7.229 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -15.748 4.449 -8.980 1.00 1.73 H new ATOM 944 N GLY A 63 -11.609 3.124 -3.086 1.00 0.37 N ATOM 945 CA GLY A 63 -10.399 3.702 -2.518 1.00 0.34 C ATOM 946 C GLY A 63 -9.263 2.690 -2.459 1.00 0.27 C ATOM 947 O GLY A 63 -8.117 3.020 -2.765 1.00 0.29 O ATOM 0 H GLY A 63 -12.413 3.129 -2.458 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.091 4.560 -3.116 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.609 4.072 -1.514 1.00 0.34 H new ATOM 951 N VAL A 64 -9.569 1.460 -2.049 1.00 0.24 N ATOM 952 CA VAL A 64 -8.543 0.427 -1.941 1.00 0.21 C ATOM 953 C VAL A 64 -7.949 0.096 -3.307 1.00 0.24 C ATOM 954 O VAL A 64 -6.728 0.079 -3.468 1.00 0.28 O ATOM 955 CB VAL A 64 -9.100 -0.833 -1.260 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.889 -1.719 -2.223 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.959 -1.622 -0.632 1.00 0.26 C ATOM 0 H VAL A 64 -10.508 1.158 -1.789 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.740 0.818 -1.316 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.796 -0.508 -0.487 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.260 -2.595 -1.691 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.731 -1.157 -2.628 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.240 -2.038 -3.039 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.356 -2.515 -0.150 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.249 -1.913 -1.406 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.454 -1.003 0.110 1.00 0.26 H new ATOM 967 N GLN A 65 -8.807 -0.167 -4.287 1.00 0.25 N ATOM 968 CA GLN A 65 -8.340 -0.494 -5.630 1.00 0.30 C ATOM 969 C GLN A 65 -7.703 0.729 -6.279 1.00 0.30 C ATOM 970 O GLN A 65 -6.789 0.606 -7.095 1.00 0.34 O ATOM 971 CB GLN A 65 -9.496 -1.025 -6.485 1.00 0.37 C ATOM 972 CG GLN A 65 -10.445 0.085 -6.939 1.00 0.42 C ATOM 973 CD GLN A 65 -10.321 0.319 -8.441 1.00 0.78 C ATOM 974 OE1 GLN A 65 -9.584 -0.385 -9.134 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.043 1.311 -8.948 1.00 0.82 N ATOM 0 H GLN A 65 -9.821 -0.161 -4.179 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.585 -1.277 -5.557 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.093 -1.534 -7.360 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.055 -1.766 -5.914 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.472 -0.184 -6.691 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.218 1.006 -6.402 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.641 1.870 -8.339 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -11.000 1.514 -9.947 1.00 0.82 H new ATOM 984 N GLN A 66 -8.188 1.908 -5.905 1.00 0.29 N ATOM 985 CA GLN A 66 -7.663 3.158 -6.442 1.00 0.31 C ATOM 986 C GLN A 66 -6.264 3.415 -5.898 1.00 0.29 C ATOM 987 O GLN A 66 -5.291 3.441 -6.651 1.00 0.36 O ATOM 988 CB GLN A 66 -8.585 4.316 -6.073 1.00 0.35 C ATOM 989 CG GLN A 66 -9.704 4.491 -7.095 1.00 0.79 C ATOM 990 CD GLN A 66 -9.244 5.387 -8.237 1.00 1.10 C ATOM 991 OE1 GLN A 66 -8.059 5.426 -8.570 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.181 6.111 -8.837 1.00 1.31 N ATOM 0 H GLN A 66 -8.945 2.024 -5.231 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.612 3.079 -7.528 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.016 4.139 -5.088 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.005 5.237 -6.006 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -10.004 3.519 -7.485 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.580 4.925 -6.614 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.151 6.047 -8.528 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -9.931 6.731 -9.607 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.168 3.594 -4.584 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.884 3.839 -3.940 1.00 0.27 C ATOM 1003 C ALA A 67 -3.909 2.723 -4.285 1.00 0.26 C ATOM 1004 O ALA A 67 -2.701 2.944 -4.371 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.065 3.925 -2.427 1.00 0.29 C ATOM 0 H ALA A 67 -6.964 3.574 -3.946 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.482 4.786 -4.301 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.100 4.108 -1.955 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.747 4.741 -2.188 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.478 2.987 -2.056 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.444 1.524 -4.495 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.626 0.370 -4.845 1.00 0.28 C ATOM 1013 C LYS A 68 -2.877 0.640 -6.143 1.00 0.31 C ATOM 1014 O LYS A 68 -1.680 0.922 -6.133 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.507 -0.869 -4.993 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.697 -2.082 -5.438 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.410 -2.870 -6.533 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.427 -3.681 -7.371 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.966 -3.946 -8.735 1.00 0.88 N ATOM 0 H LYS A 68 -5.443 1.327 -4.428 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.902 0.193 -4.050 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.995 -1.085 -4.043 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.296 -0.671 -5.719 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.723 -1.755 -5.801 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.516 -2.732 -4.582 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.143 -3.539 -6.082 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.959 -2.183 -7.178 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.483 -3.143 -7.449 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.214 -4.626 -6.872 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.274 -4.499 -9.280 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.855 -4.481 -8.659 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.146 -3.043 -9.219 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.593 0.558 -7.260 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.001 0.799 -8.570 1.00 0.43 C ATOM 1035 C ARG A 69 -2.235 2.116 -8.575 1.00 0.42 C ATOM 1036 O ARG A 69 -1.297 2.297 -9.351 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.093 0.833 -9.635 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.518 0.627 -11.031 1.00 1.02 C ATOM 1039 CD ARG A 69 -3.916 1.756 -11.978 1.00 1.36 C ATOM 1040 NE ARG A 69 -3.467 1.461 -13.334 1.00 1.81 N ATOM 1041 CZ ARG A 69 -4.302 1.010 -14.263 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -5.332 1.752 -14.649 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -4.110 -0.183 -14.808 1.00 2.98 N ATOM 0 H ARG A 69 -4.586 0.326 -7.283 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.306 -0.011 -8.792 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -4.831 0.058 -9.426 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.614 1.789 -9.593 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -2.431 0.568 -10.972 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.868 -0.324 -11.432 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -4.998 1.885 -11.966 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -3.479 2.695 -11.639 1.00 1.36 H new ATOM 0 HE ARG A 69 -2.486 1.605 -13.575 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -5.484 2.670 -14.232 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -5.972 1.404 -15.363 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -3.320 -0.757 -14.514 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -4.753 -0.527 -15.521 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.641 3.035 -7.704 1.00 0.40 N ATOM 1058 CA GLU A 70 -1.991 4.337 -7.607 1.00 0.43 C ATOM 1059 C GLU A 70 -0.604 4.196 -6.996 1.00 0.44 C ATOM 1060 O GLU A 70 0.359 4.786 -7.480 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.836 5.285 -6.760 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.229 6.684 -6.713 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.459 7.404 -8.035 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.633 7.562 -8.431 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -1.466 7.810 -8.672 1.00 1.38 O ATOM 0 H GLU A 70 -3.417 2.902 -7.056 1.00 0.40 H new ATOM 0 HA GLU A 70 -1.892 4.748 -8.612 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.845 5.339 -7.169 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.923 4.891 -5.748 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.675 7.254 -5.898 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.160 6.618 -6.508 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.507 3.407 -5.931 1.00 0.40 N ATOM 1073 CA LEU A 71 0.767 3.186 -5.255 1.00 0.47 C ATOM 1074 C LEU A 71 1.769 2.544 -6.206 1.00 0.52 C ATOM 1075 O LEU A 71 2.916 2.980 -6.305 1.00 0.60 O ATOM 1076 CB LEU A 71 0.563 2.288 -4.039 1.00 0.51 C ATOM 1077 CG LEU A 71 0.249 3.098 -2.784 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.877 2.443 -1.988 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.496 3.260 -1.919 1.00 1.15 C ATOM 0 H LEU A 71 -1.295 2.910 -5.517 1.00 0.40 H new ATOM 0 HA LEU A 71 1.159 4.150 -4.929 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.251 1.590 -4.235 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.460 1.692 -3.872 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.082 4.089 -3.093 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.086 3.036 -1.097 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.774 2.387 -2.605 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.577 1.438 -1.693 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.249 3.840 -1.030 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.862 2.278 -1.621 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.268 3.778 -2.488 1.00 1.15 H new ATOM 1091 N LEU A 72 1.327 1.500 -6.899 1.00 0.52 N ATOM 1092 CA LEU A 72 2.179 0.783 -7.843 1.00 0.63 C ATOM 1093 C LEU A 72 2.848 1.746 -8.818 1.00 0.67 C ATOM 1094 O LEU A 72 3.903 1.442 -9.375 1.00 0.83 O ATOM 1095 CB LEU A 72 1.351 -0.239 -8.616 1.00 0.66 C ATOM 1096 CG LEU A 72 1.130 -1.515 -7.809 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.353 -1.874 -7.761 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.945 -2.668 -8.389 1.00 1.04 C ATOM 0 H LEU A 72 0.380 1.130 -6.825 1.00 0.52 H new ATOM 0 HA LEU A 72 2.957 0.270 -7.278 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.387 0.197 -8.878 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.855 -0.483 -9.551 1.00 0.66 H new ATOM 0 HG LEU A 72 1.470 -1.336 -6.789 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.488 -2.787 -7.181 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -0.909 -1.061 -7.293 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -0.722 -2.030 -8.774 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.773 -3.568 -7.799 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.640 -2.846 -9.420 1.00 1.04 H new ATOM 0 HD23 LEU A 72 3.005 -2.414 -8.363 1.00 1.04 H new ATOM 1110 N GLU A 73 2.230 2.903 -9.027 1.00 0.64 N ATOM 1111 CA GLU A 73 2.772 3.900 -9.945 1.00 0.74 C ATOM 1112 C GLU A 73 3.243 5.137 -9.189 1.00 0.71 C ATOM 1113 O GLU A 73 4.435 5.297 -8.926 1.00 0.88 O ATOM 1114 CB GLU A 73 1.712 4.289 -10.973 1.00 0.82 C ATOM 1115 CG GLU A 73 1.390 3.130 -11.913 1.00 1.00 C ATOM 1116 CD GLU A 73 0.278 2.269 -11.331 1.00 1.41 C ATOM 1117 OE1 GLU A 73 0.029 2.363 -10.111 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -0.342 1.502 -12.096 1.00 2.01 O ATOM 0 H GLU A 73 1.356 3.174 -8.575 1.00 0.64 H new ATOM 0 HA GLU A 73 3.630 3.465 -10.457 1.00 0.74 H new ATOM 0 HB2 GLU A 73 0.804 4.605 -10.459 1.00 0.82 H new ATOM 0 HB3 GLU A 73 2.063 5.142 -11.553 1.00 0.82 H new ATOM 0 HG2 GLU A 73 1.088 3.516 -12.887 1.00 1.00 H new ATOM 0 HG3 GLU A 73 2.282 2.524 -12.073 1.00 1.00 H new ATOM 1125 N LEU A 74 2.302 6.009 -8.843 1.00 0.64 N ATOM 1126 CA LEU A 74 2.619 7.234 -8.118 1.00 0.71 C ATOM 1127 C LEU A 74 3.389 6.915 -6.843 1.00 0.82 C ATOM 1128 O LEU A 74 4.246 7.687 -6.413 1.00 1.13 O ATOM 1129 CB LEU A 74 1.335 7.985 -7.772 1.00 0.85 C ATOM 1130 CG LEU A 74 0.460 8.216 -9.004 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.747 9.081 -8.653 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.267 8.851 -10.134 1.00 1.32 C ATOM 0 H LEU A 74 1.311 5.890 -9.054 1.00 0.64 H new ATOM 0 HA LEU A 74 3.241 7.862 -8.756 1.00 0.71 H new ATOM 0 HB2 LEU A 74 0.773 7.420 -7.028 1.00 0.85 H new ATOM 0 HB3 LEU A 74 1.586 8.945 -7.320 1.00 0.85 H new ATOM 0 HG LEU A 74 0.099 7.247 -9.349 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.357 9.233 -9.544 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -1.341 8.583 -7.887 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.406 10.046 -8.277 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.622 9.005 -10.999 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.665 9.810 -9.802 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.090 8.192 -10.408 1.00 1.32 H new ATOM 1144 N ALA A 75 3.080 5.770 -6.241 1.00 0.78 N ATOM 1145 CA ALA A 75 3.743 5.349 -5.013 1.00 0.99 C ATOM 1146 C ALA A 75 3.628 6.431 -3.948 1.00 1.70 C ATOM 1147 O ALA A 75 4.563 6.665 -3.183 1.00 2.16 O ATOM 1148 CB ALA A 75 5.212 5.047 -5.293 1.00 1.14 C ATOM 0 H ALA A 75 2.375 5.118 -6.584 1.00 0.78 H new ATOM 0 HA ALA A 75 3.256 4.446 -4.645 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.701 4.733 -4.371 1.00 1.14 H new ATOM 0 HB2 ALA A 75 5.285 4.249 -6.032 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.701 5.943 -5.676 1.00 1.14 H new ATOM 1154 N SER A 76 2.474 7.090 -3.905 1.00 2.17 N ATOM 1155 CA SER A 76 2.233 8.151 -2.934 1.00 3.01 C ATOM 1156 C SER A 76 3.329 9.205 -3.012 1.00 3.57 C ATOM 1157 O SER A 76 3.339 9.981 -3.990 1.00 4.23 O ATOM 1158 CB SER A 76 2.177 7.565 -1.527 1.00 3.63 C ATOM 1159 OG SER A 76 1.890 8.584 -0.580 1.00 4.36 O ATOM 1160 OXT SER A 76 4.176 9.253 -2.095 1.00 3.89 O ATOM 0 H SER A 76 1.691 6.907 -4.532 1.00 2.17 H new ATOM 0 HA SER A 76 1.278 8.623 -3.165 1.00 3.01 H new ATOM 0 HB2 SER A 76 1.413 6.789 -1.479 1.00 3.63 H new ATOM 0 HB3 SER A 76 3.128 7.091 -1.285 1.00 3.63 H new ATOM 0 HG SER A 76 2.303 8.358 0.279 1.00 4.36 H new TER 1166 SER A 76