USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 869 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 110 ASN : amide:sc= -0.655 K(o=-0.65,f=-1.4!) USER MOD Set 1.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.36 K(o=-0.36,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 7:sc= 0.721! USER MOD Single : A 16 ASN : amide:sc= -7.3! C(o=-7.3!,f=-21!) USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.75 F(o=-1.6!,f=-0.75) USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= -0.176 (180deg=-1.11) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 87:sc= -0.241 USER MOD Single : A 38 HIS : no HD1:sc=-0.000294 X(o=-0.00029,f=-0.06) USER MOD Single : A 40 LYS NZ :NH3+ 134:sc= 0.177 (180deg=-0.333) USER MOD Single : A 46 TYR OH : rot 119:sc= -4.58! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -108:sc= 1.76 (180deg=-1.04) USER MOD Single : A 68 THR OG1 : rot -28:sc= 0.956 USER MOD Single : A 71 SER OG : rot 99:sc= 1.28 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 77 TYR OH : rot -107:sc= -0.0588 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.65 USER MOD Single : A 84 THR OG1 : rot -36:sc= -2.29! USER MOD Single : A 86 LYS NZ :NH3+ -126:sc= -0.0021 (180deg=-0.289) USER MOD Single : A 90 ASN :FLIP amide:sc= 0.346 F(o=-1.2,f=0.35) USER MOD Single : A 93 THR OG1 : rot 2:sc= 0.0601 USER MOD Single : A 95 SER OG : rot 16:sc= 1.16 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -24:sc= -3.01! USER MOD Single : A 100 THR OG1 : rot -85:sc= 0.352 USER MOD Single : A 114 LYS NZ :NH3+ -123:sc= 0.0435 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -5.369 4.182 12.309 1.00 1.37 N ATOM 40 CA GLU A 4 -5.209 2.846 12.951 1.00 1.14 C ATOM 41 C GLU A 4 -4.197 2.002 12.173 1.00 0.89 C ATOM 42 O GLU A 4 -3.804 2.343 11.075 1.00 1.30 O ATOM 43 CB GLU A 4 -6.598 2.207 12.887 1.00 1.67 C ATOM 44 CG GLU A 4 -6.821 1.348 14.133 1.00 2.39 C ATOM 45 CD GLU A 4 -5.514 1.247 14.924 1.00 2.65 C ATOM 46 OE1 GLU A 4 -4.579 0.658 14.409 1.00 3.09 O ATOM 47 OE2 GLU A 4 -5.473 1.762 16.029 1.00 3.05 O ATOM 0 HA GLU A 4 -4.840 2.922 13.974 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -7.363 2.980 12.823 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.688 1.595 11.989 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -7.602 1.786 14.755 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -7.163 0.354 13.846 1.00 2.39 H new ATOM 54 N GLU A 5 -3.770 0.904 12.734 1.00 1.00 N ATOM 55 CA GLU A 5 -2.781 0.039 12.026 1.00 0.81 C ATOM 56 C GLU A 5 -2.642 -1.305 12.731 1.00 0.87 C ATOM 57 O GLU A 5 -3.305 -1.583 13.711 1.00 1.15 O ATOM 58 CB GLU A 5 -1.457 0.799 12.084 1.00 0.95 C ATOM 59 CG GLU A 5 -1.138 1.171 13.535 1.00 1.46 C ATOM 60 CD GLU A 5 -0.836 2.667 13.624 1.00 1.82 C ATOM 61 OE1 GLU A 5 -0.083 3.151 12.795 1.00 2.50 O ATOM 62 OE2 GLU A 5 -1.365 3.304 14.521 1.00 2.19 O ATOM 0 H GLU A 5 -4.062 0.568 13.651 1.00 1.00 H new ATOM 0 HA GLU A 5 -3.091 -0.166 11.001 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.656 0.185 11.671 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -1.516 1.699 11.472 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.981 0.920 14.179 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.283 0.595 13.890 1.00 1.46 H new ATOM 69 N GLU A 6 -1.777 -2.135 12.232 1.00 0.79 N ATOM 70 CA GLU A 6 -1.577 -3.474 12.862 1.00 1.04 C ATOM 71 C GLU A 6 -0.138 -3.612 13.390 1.00 1.10 C ATOM 72 O GLU A 6 0.148 -3.256 14.515 1.00 1.76 O ATOM 73 CB GLU A 6 -1.858 -4.484 11.748 1.00 1.28 C ATOM 74 CG GLU A 6 -3.314 -4.947 11.838 1.00 1.68 C ATOM 75 CD GLU A 6 -3.366 -6.351 12.443 1.00 1.97 C ATOM 76 OE1 GLU A 6 -2.636 -6.594 13.390 1.00 2.24 O ATOM 77 OE2 GLU A 6 -4.137 -7.158 11.950 1.00 2.63 O ATOM 0 H GLU A 6 -1.196 -1.949 11.414 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.232 -3.630 13.719 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -1.668 -4.031 10.775 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -1.187 -5.338 11.838 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -3.890 -4.254 12.451 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -3.768 -4.949 10.847 1.00 1.68 H new ATOM 84 N ASP A 7 0.769 -4.121 12.594 1.00 1.27 N ATOM 85 CA ASP A 7 2.177 -4.268 13.069 1.00 1.35 C ATOM 86 C ASP A 7 3.013 -3.081 12.582 1.00 1.28 C ATOM 87 O ASP A 7 3.340 -2.186 13.336 1.00 2.01 O ATOM 88 CB ASP A 7 2.671 -5.573 12.441 1.00 1.53 C ATOM 89 CG ASP A 7 2.523 -5.497 10.920 1.00 1.92 C ATOM 90 OD1 ASP A 7 1.407 -5.311 10.461 1.00 2.57 O ATOM 91 OD2 ASP A 7 3.527 -5.623 10.239 1.00 2.36 O ATOM 0 H ASP A 7 0.596 -4.439 11.641 1.00 1.27 H new ATOM 0 HA ASP A 7 2.254 -4.290 14.156 1.00 1.35 H new ATOM 0 HB2 ASP A 7 3.714 -5.745 12.707 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.100 -6.415 12.831 1.00 1.53 H new ATOM 96 N HIS A 8 3.346 -3.064 11.323 1.00 1.21 N ATOM 97 CA HIS A 8 4.141 -1.934 10.769 1.00 1.11 C ATOM 98 C HIS A 8 3.495 -1.465 9.465 1.00 0.81 C ATOM 99 O HIS A 8 4.148 -0.950 8.579 1.00 0.87 O ATOM 100 CB HIS A 8 5.533 -2.512 10.511 1.00 1.32 C ATOM 101 CG HIS A 8 6.129 -2.977 11.810 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.126 -2.187 12.950 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.750 -4.148 12.168 1.00 2.02 C ATOM 104 CE1 HIS A 8 6.728 -2.886 13.930 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.126 -4.089 13.507 1.00 2.33 N ATOM 0 H HIS A 8 3.100 -3.789 10.649 1.00 1.21 H new ATOM 0 HA HIS A 8 4.189 -1.076 11.440 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.469 -3.344 9.809 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.173 -1.757 10.054 1.00 1.32 H new ATOM 0 HD2 HIS A 8 6.921 -4.988 11.510 1.00 2.02 H new ATOM 0 HE1 HIS A 8 6.872 -2.519 14.936 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.603 -4.810 14.049 1.00 2.33 H new ATOM 113 N VAL A 9 2.211 -1.657 9.347 1.00 0.69 N ATOM 114 CA VAL A 9 1.491 -1.247 8.107 1.00 0.49 C ATOM 115 C VAL A 9 0.414 -0.219 8.464 1.00 0.41 C ATOM 116 O VAL A 9 -0.050 -0.167 9.586 1.00 0.54 O ATOM 117 CB VAL A 9 0.853 -2.537 7.577 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.305 -2.298 6.172 1.00 0.88 C ATOM 119 CG2 VAL A 9 1.899 -3.657 7.522 1.00 0.89 C ATOM 0 H VAL A 9 1.623 -2.084 10.063 1.00 0.69 H new ATOM 0 HA VAL A 9 2.147 -0.789 7.366 1.00 0.49 H new ATOM 0 HB VAL A 9 0.043 -2.830 8.246 1.00 0.68 H new ATOM 0 HG11 VAL A 9 -0.148 -3.216 5.797 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.447 -1.509 6.204 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.118 -1.998 5.511 1.00 0.88 H new ATOM 0 HG21 VAL A 9 1.436 -4.569 7.144 1.00 0.89 H new ATOM 0 HG22 VAL A 9 2.713 -3.362 6.860 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.292 -3.837 8.523 1.00 0.89 H new ATOM 129 N LEU A 10 0.013 0.606 7.533 1.00 0.41 N ATOM 130 CA LEU A 10 -1.030 1.623 7.862 1.00 0.54 C ATOM 131 C LEU A 10 -2.307 1.386 7.055 1.00 0.42 C ATOM 132 O LEU A 10 -2.272 1.122 5.873 1.00 0.59 O ATOM 133 CB LEU A 10 -0.415 2.965 7.475 1.00 0.83 C ATOM 134 CG LEU A 10 -0.556 3.956 8.634 1.00 0.96 C ATOM 135 CD1 LEU A 10 -2.040 4.212 8.903 1.00 1.30 C ATOM 136 CD2 LEU A 10 0.104 3.381 9.891 1.00 1.49 C ATOM 0 H LEU A 10 0.356 0.621 6.573 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.310 1.577 8.914 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.637 2.834 7.223 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.909 3.358 6.586 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.066 4.893 8.371 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -2.144 4.917 9.728 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -2.505 4.628 8.009 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -2.530 3.274 9.164 1.00 1.30 H new ATOM 0 HD21 LEU A 10 0.001 4.090 10.713 1.00 1.49 H new ATOM 0 HD22 LEU A 10 -0.380 2.442 10.159 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.161 3.202 9.697 1.00 1.49 H new ATOM 148 N VAL A 11 -3.436 1.506 7.685 1.00 0.54 N ATOM 149 CA VAL A 11 -4.721 1.316 6.950 1.00 0.46 C ATOM 150 C VAL A 11 -5.210 2.673 6.437 1.00 0.43 C ATOM 151 O VAL A 11 -5.052 3.684 7.091 1.00 0.54 O ATOM 152 CB VAL A 11 -5.702 0.729 7.969 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.220 -0.659 8.397 1.00 1.04 C ATOM 154 CG2 VAL A 11 -5.789 1.645 9.193 1.00 1.39 C ATOM 0 H VAL A 11 -3.530 1.727 8.676 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.617 0.656 6.089 1.00 0.46 H new ATOM 0 HB VAL A 11 -6.689 0.647 7.515 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -5.917 -1.079 9.122 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -5.168 -1.311 7.525 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -4.231 -0.578 8.849 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -6.488 1.223 9.915 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.804 1.734 9.651 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -6.137 2.631 8.885 1.00 1.39 H new ATOM 164 N LEU A 12 -5.783 2.713 5.266 1.00 0.40 N ATOM 165 CA LEU A 12 -6.254 4.019 4.720 1.00 0.45 C ATOM 166 C LEU A 12 -7.780 4.110 4.764 1.00 0.44 C ATOM 167 O LEU A 12 -8.466 3.157 5.076 1.00 0.58 O ATOM 168 CB LEU A 12 -5.761 4.041 3.274 1.00 0.63 C ATOM 169 CG LEU A 12 -4.256 4.306 3.249 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.773 4.349 1.797 1.00 1.16 C ATOM 171 CD2 LEU A 12 -3.959 5.645 3.924 1.00 0.82 C ATOM 0 H LEU A 12 -5.945 1.904 4.666 1.00 0.40 H new ATOM 0 HA LEU A 12 -5.876 4.861 5.300 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.981 3.090 2.790 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.286 4.814 2.712 1.00 0.63 H new ATOM 0 HG LEU A 12 -3.738 3.510 3.784 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -2.700 4.538 1.776 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -3.983 3.394 1.315 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -4.292 5.146 1.264 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -2.885 5.832 3.905 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.476 6.443 3.391 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.304 5.616 4.958 1.00 0.82 H new ATOM 183 N ARG A 13 -8.314 5.259 4.448 1.00 0.47 N ATOM 184 CA ARG A 13 -9.793 5.433 4.462 1.00 0.55 C ATOM 185 C ARG A 13 -10.171 6.797 3.876 1.00 0.54 C ATOM 186 O ARG A 13 -9.386 7.722 3.866 1.00 0.73 O ATOM 187 CB ARG A 13 -10.197 5.345 5.933 1.00 0.69 C ATOM 188 CG ARG A 13 -11.546 4.633 6.048 1.00 1.19 C ATOM 189 CD ARG A 13 -12.285 5.131 7.291 1.00 1.28 C ATOM 190 NE ARG A 13 -13.519 4.301 7.357 1.00 1.86 N ATOM 191 CZ ARG A 13 -13.995 3.928 8.513 1.00 2.30 C ATOM 192 NH1 ARG A 13 -13.569 2.827 9.069 1.00 2.84 N ATOM 193 NH2 ARG A 13 -14.895 4.656 9.113 1.00 2.68 N ATOM 0 H ARG A 13 -7.785 6.089 4.179 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.301 4.679 3.861 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.438 4.804 6.498 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.263 6.344 6.364 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -12.145 4.821 5.157 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -11.396 3.555 6.109 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.678 5.009 8.188 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.525 6.191 7.210 1.00 1.28 H new ATOM 0 HE ARG A 13 -13.993 4.024 6.497 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -12.864 2.258 8.600 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -13.941 2.535 9.973 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -15.227 5.517 8.679 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -15.267 4.364 10.017 1.00 2.68 H new ATOM 207 N LYS A 14 -11.369 6.914 3.378 1.00 0.58 N ATOM 208 CA LYS A 14 -11.835 8.196 2.770 1.00 0.63 C ATOM 209 C LYS A 14 -11.430 9.416 3.598 1.00 0.65 C ATOM 210 O LYS A 14 -11.099 10.461 3.075 1.00 0.83 O ATOM 211 CB LYS A 14 -13.355 8.066 2.765 1.00 0.74 C ATOM 212 CG LYS A 14 -13.887 7.992 4.200 1.00 1.26 C ATOM 213 CD LYS A 14 -15.340 7.513 4.182 1.00 1.92 C ATOM 214 CE LYS A 14 -15.772 7.138 5.601 1.00 2.26 C ATOM 215 NZ LYS A 14 -16.832 8.124 5.952 1.00 2.80 N ATOM 0 H LYS A 14 -12.059 6.163 3.365 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.397 8.348 1.783 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.798 8.918 2.249 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -13.649 7.172 2.215 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -13.276 7.310 4.791 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -13.822 8.971 4.674 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -15.987 8.297 3.789 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.442 6.653 3.520 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.153 6.117 5.641 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -14.935 7.194 6.297 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -17.180 7.932 6.913 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -16.439 9.086 5.911 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -17.619 8.043 5.277 1.00 2.80 H new ATOM 229 N SER A 15 -11.495 9.291 4.882 1.00 0.68 N ATOM 230 CA SER A 15 -11.162 10.438 5.770 1.00 0.88 C ATOM 231 C SER A 15 -9.661 10.518 6.042 1.00 0.81 C ATOM 232 O SER A 15 -9.214 11.374 6.779 1.00 1.05 O ATOM 233 CB SER A 15 -11.924 10.164 7.067 1.00 1.10 C ATOM 234 OG SER A 15 -11.373 10.948 8.115 1.00 1.68 O ATOM 0 H SER A 15 -11.767 8.436 5.367 1.00 0.68 H new ATOM 0 HA SER A 15 -11.438 11.389 5.315 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.980 10.401 6.938 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.864 9.105 7.320 1.00 1.10 H new ATOM 0 HG SER A 15 -10.702 11.560 7.747 1.00 1.68 H new ATOM 240 N ASN A 16 -8.872 9.650 5.464 1.00 0.65 N ATOM 241 CA ASN A 16 -7.409 9.733 5.729 1.00 0.68 C ATOM 242 C ASN A 16 -6.581 9.028 4.647 1.00 0.55 C ATOM 243 O ASN A 16 -5.427 8.703 4.859 1.00 0.56 O ATOM 244 CB ASN A 16 -7.211 9.053 7.084 1.00 0.87 C ATOM 245 CG ASN A 16 -7.708 7.611 7.002 1.00 0.91 C ATOM 246 OD1 ASN A 16 -8.309 7.224 6.023 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.479 6.796 7.995 1.00 0.98 N ATOM 0 H ASN A 16 -9.170 8.904 4.835 1.00 0.65 H new ATOM 0 HA ASN A 16 -7.071 10.769 5.726 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -6.157 9.071 7.363 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -7.755 9.594 7.858 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.806 5.831 7.948 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.973 7.124 8.818 1.00 0.98 H new ATOM 254 N PHE A 17 -7.138 8.797 3.490 1.00 0.55 N ATOM 255 CA PHE A 17 -6.349 8.121 2.419 1.00 0.51 C ATOM 256 C PHE A 17 -5.206 9.033 1.962 1.00 0.46 C ATOM 257 O PHE A 17 -4.049 8.767 2.219 1.00 0.52 O ATOM 258 CB PHE A 17 -7.335 7.872 1.276 1.00 0.56 C ATOM 259 CG PHE A 17 -6.667 7.027 0.217 1.00 0.62 C ATOM 260 CD1 PHE A 17 -5.727 7.603 -0.647 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.987 5.669 0.099 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.107 6.820 -1.629 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.368 4.887 -0.884 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.428 5.462 -1.747 1.00 0.87 C ATOM 0 H PHE A 17 -8.096 9.044 3.240 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.900 7.190 2.764 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.226 7.368 1.652 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -7.662 8.820 0.849 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -5.480 8.651 -0.556 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.711 5.225 0.766 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -4.382 7.263 -2.295 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.616 3.840 -0.976 1.00 0.89 H new ATOM 0 HZ PHE A 17 -4.950 4.858 -2.504 1.00 0.87 H new ATOM 274 N ALA A 18 -5.521 10.111 1.298 1.00 0.52 N ATOM 275 CA ALA A 18 -4.452 11.042 0.839 1.00 0.66 C ATOM 276 C ALA A 18 -3.620 11.502 2.036 1.00 0.59 C ATOM 277 O ALA A 18 -2.461 11.845 1.908 1.00 0.75 O ATOM 278 CB ALA A 18 -5.194 12.223 0.214 1.00 0.84 C ATOM 0 H ALA A 18 -6.472 10.387 1.054 1.00 0.52 H new ATOM 0 HA ALA A 18 -3.768 10.576 0.130 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -4.473 12.955 -0.149 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -5.804 11.871 -0.618 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -5.836 12.687 0.963 1.00 0.84 H new ATOM 284 N GLU A 19 -4.205 11.507 3.202 1.00 0.46 N ATOM 285 CA GLU A 19 -3.454 11.938 4.414 1.00 0.49 C ATOM 286 C GLU A 19 -2.178 11.109 4.562 1.00 0.48 C ATOM 287 O GLU A 19 -1.082 11.632 4.558 1.00 0.56 O ATOM 288 CB GLU A 19 -4.404 11.668 5.581 1.00 0.55 C ATOM 289 CG GLU A 19 -3.817 12.257 6.865 1.00 0.69 C ATOM 290 CD GLU A 19 -4.668 13.445 7.317 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.712 13.211 7.905 1.00 1.78 O ATOM 292 OE2 GLU A 19 -4.261 14.568 7.069 1.00 1.66 O ATOM 0 H GLU A 19 -5.173 11.231 3.368 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.152 12.984 4.366 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.380 12.110 5.379 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.558 10.595 5.698 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.789 11.498 7.647 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.789 12.576 6.694 1.00 0.69 H new ATOM 299 N ALA A 20 -2.314 9.818 4.694 1.00 0.45 N ATOM 300 CA ALA A 20 -1.107 8.957 4.843 1.00 0.53 C ATOM 301 C ALA A 20 -0.125 9.216 3.697 1.00 0.57 C ATOM 302 O ALA A 20 1.067 9.028 3.838 1.00 0.71 O ATOM 303 CB ALA A 20 -1.631 7.524 4.789 1.00 0.57 C ATOM 0 H ALA A 20 -3.206 9.323 4.705 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.570 9.158 5.770 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.798 6.828 4.892 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.340 7.365 5.602 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.129 7.355 3.834 1.00 0.57 H new ATOM 309 N LEU A 21 -0.612 9.647 2.565 1.00 0.55 N ATOM 310 CA LEU A 21 0.310 9.916 1.422 1.00 0.69 C ATOM 311 C LEU A 21 1.194 11.120 1.744 1.00 0.75 C ATOM 312 O LEU A 21 2.406 11.054 1.678 1.00 0.92 O ATOM 313 CB LEU A 21 -0.586 10.222 0.211 1.00 0.74 C ATOM 314 CG LEU A 21 -1.715 9.184 0.068 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.331 9.309 -1.329 1.00 1.44 C ATOM 316 CD2 LEU A 21 -1.176 7.763 0.242 1.00 0.90 C ATOM 0 H LEU A 21 -1.600 9.824 2.382 1.00 0.55 H new ATOM 0 HA LEU A 21 0.964 9.067 1.224 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -1.017 11.217 0.318 1.00 0.74 H new ATOM 0 HB3 LEU A 21 0.018 10.232 -0.696 1.00 0.74 H new ATOM 0 HG LEU A 21 -2.462 9.374 0.839 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -3.132 8.578 -1.440 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -2.735 10.313 -1.460 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -1.565 9.125 -2.082 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -1.993 7.049 0.137 1.00 0.90 H new ATOM 0 HD22 LEU A 21 -0.420 7.565 -0.518 1.00 0.90 H new ATOM 0 HD23 LEU A 21 -0.731 7.661 1.232 1.00 0.90 H new ATOM 328 N ALA A 22 0.593 12.220 2.096 1.00 0.71 N ATOM 329 CA ALA A 22 1.389 13.436 2.430 1.00 0.85 C ATOM 330 C ALA A 22 2.308 13.153 3.621 1.00 0.89 C ATOM 331 O ALA A 22 3.371 13.727 3.748 1.00 1.08 O ATOM 332 CB ALA A 22 0.353 14.500 2.793 1.00 1.00 C ATOM 0 H ALA A 22 -0.418 12.332 2.168 1.00 0.71 H new ATOM 0 HA ALA A 22 2.026 13.753 1.605 1.00 0.85 H new ATOM 0 HB1 ALA A 22 0.861 15.429 3.052 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -0.306 14.672 1.942 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -0.236 14.159 3.644 1.00 1.00 H new ATOM 338 N ALA A 23 1.906 12.269 4.493 1.00 0.86 N ATOM 339 CA ALA A 23 2.758 11.947 5.675 1.00 0.93 C ATOM 340 C ALA A 23 4.168 11.565 5.217 1.00 0.85 C ATOM 341 O ALA A 23 5.117 12.294 5.426 1.00 0.95 O ATOM 342 CB ALA A 23 2.070 10.762 6.349 1.00 1.05 C ATOM 0 H ALA A 23 1.026 11.756 4.439 1.00 0.86 H new ATOM 0 HA ALA A 23 2.863 12.793 6.354 1.00 0.93 H new ATOM 0 HB1 ALA A 23 2.638 10.465 7.230 1.00 1.05 H new ATOM 0 HB2 ALA A 23 1.061 11.048 6.647 1.00 1.05 H new ATOM 0 HB3 ALA A 23 2.019 9.926 5.651 1.00 1.05 H new ATOM 348 N HIS A 24 4.312 10.428 4.592 1.00 0.83 N ATOM 349 CA HIS A 24 5.661 10.005 4.119 1.00 0.84 C ATOM 350 C HIS A 24 5.794 10.270 2.617 1.00 0.82 C ATOM 351 O HIS A 24 4.871 10.729 1.975 1.00 1.30 O ATOM 352 CB HIS A 24 5.735 8.507 4.412 1.00 0.95 C ATOM 353 CG HIS A 24 6.606 8.277 5.615 1.00 1.22 C ATOM 354 ND1 HIS A 24 7.622 7.386 5.857 1.00 1.80 N flip ATOM 355 CD2 HIS A 24 6.480 9.030 6.772 1.00 1.84 C flip ATOM 356 CE1 HIS A 24 8.120 7.581 7.142 1.00 2.04 C flip ATOM 357 NE2 HIS A 24 7.397 8.583 7.649 1.00 2.00 N flip ATOM 0 H HIS A 24 3.555 9.775 4.389 1.00 0.83 H new ATOM 0 HA HIS A 24 6.465 10.552 4.612 1.00 0.84 H new ATOM 0 HB2 HIS A 24 4.736 8.110 4.591 1.00 0.95 H new ATOM 0 HB3 HIS A 24 6.139 7.976 3.550 1.00 0.95 H new ATOM 0 HD2 HIS A 24 5.774 9.830 6.939 1.00 1.84 H new ATOM 0 HE1 HIS A 24 8.919 7.039 7.625 1.00 2.04 H new ATOM 0 HE2 HIS A 24 7.525 8.963 8.587 1.00 2.00 H new ATOM 365 N LYS A 25 6.936 9.988 2.050 1.00 0.72 N ATOM 366 CA LYS A 25 7.117 10.230 0.590 1.00 0.69 C ATOM 367 C LYS A 25 6.392 9.152 -0.221 1.00 0.59 C ATOM 368 O LYS A 25 5.419 9.424 -0.894 1.00 0.68 O ATOM 369 CB LYS A 25 8.627 10.158 0.357 1.00 0.81 C ATOM 370 CG LYS A 25 8.945 10.657 -1.054 1.00 1.20 C ATOM 371 CD LYS A 25 9.700 11.985 -0.966 1.00 1.51 C ATOM 372 CE LYS A 25 11.185 11.747 -1.243 1.00 2.06 C ATOM 373 NZ LYS A 25 11.850 11.875 0.083 1.00 2.47 N ATOM 0 H LYS A 25 7.748 9.602 2.532 1.00 0.72 H new ATOM 0 HA LYS A 25 6.705 11.189 0.278 1.00 0.69 H new ATOM 0 HB2 LYS A 25 9.150 10.765 1.096 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.977 9.133 0.480 1.00 0.81 H new ATOM 0 HG2 LYS A 25 9.546 9.919 -1.586 1.00 1.20 H new ATOM 0 HG3 LYS A 25 8.024 10.787 -1.622 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.294 12.695 -1.687 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.570 12.425 0.023 1.00 1.51 H new ATOM 0 HE2 LYS A 25 11.353 10.760 -1.675 1.00 2.06 H new ATOM 0 HE3 LYS A 25 11.576 12.476 -1.953 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 12.755 11.364 0.068 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 12.023 12.880 0.289 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 11.237 11.471 0.819 1.00 2.47 H new ATOM 387 N TYR A 26 6.855 7.933 -0.164 1.00 0.52 N ATOM 388 CA TYR A 26 6.184 6.852 -0.937 1.00 0.48 C ATOM 389 C TYR A 26 5.132 6.159 -0.070 1.00 0.46 C ATOM 390 O TYR A 26 5.401 5.743 1.039 1.00 0.53 O ATOM 391 CB TYR A 26 7.303 5.881 -1.310 1.00 0.56 C ATOM 392 CG TYR A 26 8.106 6.454 -2.455 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.454 6.990 -3.573 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.504 6.448 -2.397 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.202 7.519 -4.631 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.251 6.979 -3.456 1.00 1.31 C ATOM 397 CZ TYR A 26 9.601 7.515 -4.573 1.00 1.08 C ATOM 398 OH TYR A 26 10.337 8.037 -5.616 1.00 1.33 O ATOM 0 H TYR A 26 7.665 7.641 0.382 1.00 0.52 H new ATOM 0 HA TYR A 26 5.666 7.231 -1.818 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.949 5.707 -0.450 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.882 4.916 -1.594 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.375 6.995 -3.618 1.00 0.75 H new ATOM 0 HD2 TYR A 26 10.007 6.034 -1.536 1.00 1.08 H new ATOM 0 HE1 TYR A 26 7.699 7.931 -5.494 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.330 6.975 -3.410 1.00 1.31 H new ATOM 0 HH TYR A 26 11.293 7.956 -5.414 1.00 1.33 H new ATOM 408 N LEU A 27 3.935 6.031 -0.571 1.00 0.46 N ATOM 409 CA LEU A 27 2.863 5.365 0.224 1.00 0.45 C ATOM 410 C LEU A 27 2.154 4.314 -0.631 1.00 0.40 C ATOM 411 O LEU A 27 1.470 4.631 -1.581 1.00 0.50 O ATOM 412 CB LEU A 27 1.899 6.491 0.604 1.00 0.51 C ATOM 413 CG LEU A 27 1.611 6.444 2.108 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.910 5.131 2.456 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.923 6.541 2.889 1.00 0.66 C ATOM 0 H LEU A 27 3.652 6.358 -1.495 1.00 0.46 H new ATOM 0 HA LEU A 27 3.253 4.850 1.102 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.330 7.456 0.337 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.970 6.391 0.043 1.00 0.51 H new ATOM 0 HG LEU A 27 0.968 7.282 2.375 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.706 5.100 3.526 1.00 1.93 H new ATOM 0 HD12 LEU A 27 -0.028 5.063 1.906 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.552 4.293 2.184 1.00 1.93 H new ATOM 0 HD21 LEU A 27 2.713 6.507 3.958 1.00 0.66 H new ATOM 0 HD22 LEU A 27 3.570 5.706 2.619 1.00 0.66 H new ATOM 0 HD23 LEU A 27 3.422 7.479 2.647 1.00 0.66 H new ATOM 427 N LEU A 28 2.310 3.063 -0.303 1.00 0.33 N ATOM 428 CA LEU A 28 1.638 2.001 -1.104 1.00 0.32 C ATOM 429 C LEU A 28 0.227 1.755 -0.572 1.00 0.29 C ATOM 430 O LEU A 28 -0.068 2.031 0.572 1.00 0.35 O ATOM 431 CB LEU A 28 2.498 0.753 -0.925 1.00 0.40 C ATOM 432 CG LEU A 28 2.176 -0.246 -2.035 1.00 0.53 C ATOM 433 CD1 LEU A 28 2.827 0.216 -3.339 1.00 0.73 C ATOM 434 CD2 LEU A 28 2.716 -1.622 -1.647 1.00 1.12 C ATOM 0 H LEU A 28 2.871 2.730 0.481 1.00 0.33 H new ATOM 0 HA LEU A 28 1.543 2.280 -2.154 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.555 1.018 -0.954 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.309 0.304 0.050 1.00 0.40 H new ATOM 0 HG LEU A 28 1.097 -0.307 -2.174 1.00 0.53 H new ATOM 0 HD11 LEU A 28 2.598 -0.496 -4.132 1.00 0.73 H new ATOM 0 HD12 LEU A 28 2.441 1.198 -3.611 1.00 0.73 H new ATOM 0 HD13 LEU A 28 3.907 0.275 -3.205 1.00 0.73 H new ATOM 0 HD21 LEU A 28 2.488 -2.338 -2.437 1.00 1.12 H new ATOM 0 HD22 LEU A 28 3.796 -1.564 -1.510 1.00 1.12 H new ATOM 0 HD23 LEU A 28 2.250 -1.947 -0.717 1.00 1.12 H new ATOM 446 N VAL A 29 -0.648 1.239 -1.390 1.00 0.32 N ATOM 447 CA VAL A 29 -2.038 0.980 -0.919 1.00 0.32 C ATOM 448 C VAL A 29 -2.553 -0.350 -1.473 1.00 0.34 C ATOM 449 O VAL A 29 -2.353 -0.673 -2.627 1.00 0.47 O ATOM 450 CB VAL A 29 -2.865 2.144 -1.465 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.303 2.028 -0.956 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.261 3.467 -0.991 1.00 0.77 C ATOM 0 H VAL A 29 -0.462 0.986 -2.361 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.096 0.911 0.167 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.860 2.114 -2.555 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.894 2.857 -1.344 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.734 1.086 -1.294 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.307 2.059 0.134 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.851 4.297 -1.381 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.265 3.499 0.099 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.236 3.549 -1.353 1.00 0.77 H new ATOM 462 N GLU A 30 -3.221 -1.119 -0.660 1.00 0.32 N ATOM 463 CA GLU A 30 -3.760 -2.424 -1.134 1.00 0.39 C ATOM 464 C GLU A 30 -5.276 -2.461 -0.921 1.00 0.36 C ATOM 465 O GLU A 30 -5.762 -2.276 0.176 1.00 0.42 O ATOM 466 CB GLU A 30 -3.067 -3.481 -0.271 1.00 0.52 C ATOM 467 CG GLU A 30 -3.656 -4.861 -0.575 1.00 0.64 C ATOM 468 CD GLU A 30 -2.786 -5.940 0.075 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.606 -5.690 0.258 1.00 1.60 O ATOM 470 OE2 GLU A 30 -3.315 -6.996 0.377 1.00 1.48 O ATOM 0 H GLU A 30 -3.418 -0.899 0.316 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.578 -2.592 -2.195 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.995 -3.481 -0.469 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.196 -3.244 0.785 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.676 -4.924 -0.197 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.705 -5.018 -1.652 1.00 0.64 H new ATOM 477 N PHE A 31 -6.024 -2.693 -1.961 1.00 0.35 N ATOM 478 CA PHE A 31 -7.507 -2.731 -1.816 1.00 0.36 C ATOM 479 C PHE A 31 -8.001 -4.178 -1.756 1.00 0.39 C ATOM 480 O PHE A 31 -7.940 -4.904 -2.728 1.00 0.49 O ATOM 481 CB PHE A 31 -8.038 -2.039 -3.069 1.00 0.41 C ATOM 482 CG PHE A 31 -8.041 -0.544 -2.852 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.886 0.201 -3.114 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.197 0.094 -2.387 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.885 1.586 -2.912 1.00 0.52 C ATOM 486 CE2 PHE A 31 -9.196 1.480 -2.184 1.00 0.59 C ATOM 487 CZ PHE A 31 -8.041 2.226 -2.446 1.00 0.53 C ATOM 0 H PHE A 31 -5.675 -2.858 -2.905 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.845 -2.245 -0.901 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.417 -2.292 -3.928 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.047 -2.388 -3.291 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -5.995 -0.293 -3.472 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -10.088 -0.482 -2.185 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.994 2.161 -3.115 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -10.087 1.973 -1.825 1.00 0.59 H new ATOM 0 HZ PHE A 31 -8.041 3.295 -2.289 1.00 0.53 H new ATOM 497 N TYR A 32 -8.492 -4.604 -0.624 1.00 0.37 N ATOM 498 CA TYR A 32 -8.989 -6.006 -0.519 1.00 0.44 C ATOM 499 C TYR A 32 -10.194 -6.089 0.418 1.00 0.40 C ATOM 500 O TYR A 32 -10.765 -5.092 0.812 1.00 0.45 O ATOM 501 CB TYR A 32 -7.817 -6.807 0.054 1.00 0.54 C ATOM 502 CG TYR A 32 -7.491 -6.313 1.446 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.800 -5.107 1.620 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.885 -7.060 2.562 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.504 -4.650 2.910 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.589 -6.602 3.852 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.899 -5.397 4.026 1.00 0.77 C ATOM 508 OH TYR A 32 -6.608 -4.945 5.297 1.00 0.94 O ATOM 0 H TYR A 32 -8.570 -4.047 0.227 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.317 -6.388 -1.486 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.069 -7.867 0.084 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.945 -6.705 -0.592 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.496 -4.530 0.759 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.418 -7.990 2.428 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -5.971 -3.721 3.044 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.893 -7.179 4.713 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.320 -4.345 5.602 1.00 0.94 H new ATOM 518 N ALA A 33 -10.571 -7.281 0.781 1.00 0.40 N ATOM 519 CA ALA A 33 -11.729 -7.460 1.699 1.00 0.44 C ATOM 520 C ALA A 33 -11.433 -8.593 2.691 1.00 0.53 C ATOM 521 O ALA A 33 -10.562 -9.405 2.453 1.00 0.56 O ATOM 522 CB ALA A 33 -12.900 -7.829 0.791 1.00 0.49 C ATOM 0 H ALA A 33 -10.123 -8.146 0.479 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.941 -6.567 2.286 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.795 -7.978 1.394 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.074 -7.024 0.076 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.668 -8.748 0.253 1.00 0.49 H new ATOM 528 N PRO A 34 -12.173 -8.619 3.772 1.00 0.63 N ATOM 529 CA PRO A 34 -11.977 -9.675 4.795 1.00 0.78 C ATOM 530 C PRO A 34 -12.431 -11.035 4.254 1.00 0.82 C ATOM 531 O PRO A 34 -12.087 -12.070 4.788 1.00 0.96 O ATOM 532 CB PRO A 34 -12.860 -9.222 5.955 1.00 0.90 C ATOM 533 CG PRO A 34 -13.901 -8.356 5.323 1.00 0.81 C ATOM 534 CD PRO A 34 -13.251 -7.691 4.140 1.00 0.66 C ATOM 0 HA PRO A 34 -10.935 -9.800 5.088 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.310 -10.073 6.466 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.285 -8.671 6.699 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.760 -8.950 5.010 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.268 -7.613 6.031 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.957 -7.551 3.321 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.862 -6.706 4.397 1.00 0.66 H new ATOM 542 N TRP A 35 -13.195 -11.041 3.194 1.00 0.74 N ATOM 543 CA TRP A 35 -13.662 -12.337 2.624 1.00 0.83 C ATOM 544 C TRP A 35 -12.781 -12.748 1.439 1.00 0.78 C ATOM 545 O TRP A 35 -12.825 -13.874 0.986 1.00 0.92 O ATOM 546 CB TRP A 35 -15.098 -12.078 2.165 1.00 0.91 C ATOM 547 CG TRP A 35 -15.113 -10.980 1.151 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.467 -9.698 1.399 1.00 0.84 C ATOM 549 CD2 TRP A 35 -14.773 -11.044 -0.265 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.364 -8.971 0.226 1.00 0.85 N ATOM 551 CE2 TRP A 35 -14.940 -9.757 -0.827 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.339 -12.085 -1.107 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -14.685 -9.509 -2.176 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.082 -11.838 -2.466 1.00 2.36 C ATOM 555 CH2 TRP A 35 -14.255 -10.554 -2.999 1.00 2.26 C ATOM 0 H TRP A 35 -13.515 -10.208 2.700 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.609 -13.148 3.351 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.523 -12.986 1.738 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.719 -11.806 3.018 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.779 -9.306 2.356 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.575 -7.976 0.149 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.203 -13.079 -0.706 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -14.819 -8.517 -2.581 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -13.749 -12.643 -3.104 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -14.056 -10.372 -4.045 1.00 2.26 H new ATOM 566 N CYS A 36 -11.976 -11.849 0.931 1.00 0.65 N ATOM 567 CA CYS A 36 -11.097 -12.203 -0.221 1.00 0.67 C ATOM 568 C CYS A 36 -10.288 -13.464 0.100 1.00 0.84 C ATOM 569 O CYS A 36 -10.048 -13.782 1.249 1.00 1.63 O ATOM 570 CB CYS A 36 -10.172 -11.000 -0.394 1.00 0.58 C ATOM 571 SG CYS A 36 -9.021 -11.312 -1.755 1.00 1.07 S ATOM 0 H CYS A 36 -11.891 -10.889 1.264 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.665 -12.414 -1.127 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.758 -10.104 -0.598 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.620 -10.817 0.528 1.00 0.58 H new ATOM 576 N GLY A 37 -9.869 -14.186 -0.903 1.00 0.96 N ATOM 577 CA GLY A 37 -9.081 -15.425 -0.650 1.00 1.08 C ATOM 578 C GLY A 37 -7.628 -15.209 -1.078 1.00 1.00 C ATOM 579 O GLY A 37 -6.706 -15.681 -0.442 1.00 1.83 O ATOM 0 H GLY A 37 -10.038 -13.972 -1.886 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.124 -15.685 0.408 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.512 -16.261 -1.201 1.00 1.08 H new ATOM 583 N HIS A 38 -7.413 -14.503 -2.154 1.00 0.89 N ATOM 584 CA HIS A 38 -6.016 -14.263 -2.622 1.00 0.97 C ATOM 585 C HIS A 38 -5.427 -13.013 -1.956 1.00 0.88 C ATOM 586 O HIS A 38 -4.384 -12.529 -2.346 1.00 1.13 O ATOM 587 CB HIS A 38 -6.138 -14.056 -4.131 1.00 1.32 C ATOM 588 CG HIS A 38 -6.729 -15.287 -4.758 1.00 1.72 C ATOM 589 ND1 HIS A 38 -6.364 -16.565 -4.364 1.00 2.39 N ATOM 590 CD2 HIS A 38 -7.663 -15.454 -5.751 1.00 2.35 C ATOM 591 CE1 HIS A 38 -7.067 -17.436 -5.109 1.00 2.85 C ATOM 592 NE2 HIS A 38 -7.874 -16.812 -5.972 1.00 2.87 N ATOM 0 H HIS A 38 -8.142 -14.082 -2.730 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.353 -15.091 -2.370 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -6.766 -13.190 -4.341 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.158 -13.850 -4.561 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -8.158 -14.653 -6.280 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -6.989 -18.510 -5.021 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -8.508 -17.239 -6.647 1.00 2.87 H new ATOM 600 N CYS A 39 -6.080 -12.489 -0.954 1.00 0.79 N ATOM 601 CA CYS A 39 -5.542 -11.276 -0.273 1.00 0.88 C ATOM 602 C CYS A 39 -4.810 -11.670 1.013 1.00 0.82 C ATOM 603 O CYS A 39 -4.022 -10.914 1.545 1.00 1.00 O ATOM 604 CB CYS A 39 -6.769 -10.424 0.046 1.00 1.08 C ATOM 605 SG CYS A 39 -7.576 -9.932 -1.497 1.00 1.00 S ATOM 0 H CYS A 39 -6.959 -12.846 -0.579 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.824 -10.739 -0.893 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.464 -10.986 0.670 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.475 -9.541 0.613 1.00 1.08 H new ATOM 610 N LYS A 40 -5.063 -12.849 1.517 1.00 0.78 N ATOM 611 CA LYS A 40 -4.378 -13.287 2.766 1.00 0.94 C ATOM 612 C LYS A 40 -3.069 -14.002 2.422 1.00 0.84 C ATOM 613 O LYS A 40 -2.159 -14.075 3.224 1.00 0.94 O ATOM 614 CB LYS A 40 -5.358 -14.252 3.434 1.00 1.21 C ATOM 615 CG LYS A 40 -6.495 -13.458 4.080 1.00 1.56 C ATOM 616 CD LYS A 40 -7.730 -13.508 3.177 1.00 2.11 C ATOM 617 CE LYS A 40 -8.363 -12.116 3.103 1.00 2.72 C ATOM 618 NZ LYS A 40 -9.010 -11.918 4.430 1.00 3.29 N ATOM 0 H LYS A 40 -5.713 -13.526 1.118 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.123 -12.451 3.417 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -5.759 -14.948 2.697 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -4.842 -14.848 4.187 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.731 -13.872 5.060 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -6.188 -12.424 4.237 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -7.451 -13.846 2.179 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -8.450 -14.227 3.567 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -7.612 -11.350 2.912 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -9.092 -12.056 2.295 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -8.778 -10.971 4.792 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -10.041 -12.007 4.330 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -8.663 -12.638 5.096 1.00 3.29 H new ATOM 632 N ALA A 41 -2.971 -14.531 1.234 1.00 0.77 N ATOM 633 CA ALA A 41 -1.725 -15.244 0.832 1.00 0.86 C ATOM 634 C ALA A 41 -0.503 -14.346 1.052 1.00 0.75 C ATOM 635 O ALA A 41 0.534 -14.793 1.499 1.00 0.90 O ATOM 636 CB ALA A 41 -1.913 -15.543 -0.655 1.00 0.93 C ATOM 0 H ALA A 41 -3.701 -14.500 0.522 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.557 -16.149 1.415 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -1.037 -16.070 -1.034 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.798 -16.165 -0.792 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.039 -14.608 -1.201 1.00 0.93 H new ATOM 642 N LEU A 42 -0.618 -13.082 0.741 1.00 0.65 N ATOM 643 CA LEU A 42 0.540 -12.160 0.931 1.00 0.67 C ATOM 644 C LEU A 42 0.260 -11.182 2.076 1.00 0.63 C ATOM 645 O LEU A 42 0.631 -10.028 2.024 1.00 0.70 O ATOM 646 CB LEU A 42 0.670 -11.407 -0.393 1.00 0.82 C ATOM 647 CG LEU A 42 2.081 -10.828 -0.512 1.00 0.86 C ATOM 648 CD1 LEU A 42 3.075 -11.962 -0.775 1.00 1.24 C ATOM 649 CD2 LEU A 42 2.127 -9.829 -1.670 1.00 1.37 C ATOM 0 H LEU A 42 -1.461 -12.649 0.365 1.00 0.65 H new ATOM 0 HA LEU A 42 1.453 -12.697 1.188 1.00 0.67 H new ATOM 0 HB2 LEU A 42 0.469 -12.079 -1.227 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.069 -10.607 -0.443 1.00 0.82 H new ATOM 0 HG LEU A 42 2.346 -10.320 0.415 1.00 0.86 H new ATOM 0 HD11 LEU A 42 4.081 -11.551 -0.860 1.00 1.24 H new ATOM 0 HD12 LEU A 42 3.042 -12.673 0.050 1.00 1.24 H new ATOM 0 HD13 LEU A 42 2.811 -12.470 -1.703 1.00 1.24 H new ATOM 0 HD21 LEU A 42 3.132 -9.416 -1.755 1.00 1.37 H new ATOM 0 HD22 LEU A 42 1.863 -10.336 -2.598 1.00 1.37 H new ATOM 0 HD23 LEU A 42 1.418 -9.022 -1.483 1.00 1.37 H new ATOM 661 N ALA A 43 -0.392 -11.637 3.111 1.00 0.71 N ATOM 662 CA ALA A 43 -0.695 -10.732 4.257 1.00 0.73 C ATOM 663 C ALA A 43 0.562 -10.509 5.113 1.00 0.67 C ATOM 664 O ALA A 43 0.954 -9.382 5.344 1.00 0.65 O ATOM 665 CB ALA A 43 -1.771 -11.458 5.063 1.00 0.88 C ATOM 0 H ALA A 43 -0.728 -12.595 3.213 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.028 -9.748 3.925 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.048 -10.854 5.927 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.648 -11.620 4.436 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.385 -12.419 5.402 1.00 0.88 H new ATOM 671 N PRO A 44 1.155 -11.591 5.562 1.00 0.69 N ATOM 672 CA PRO A 44 2.373 -11.486 6.403 1.00 0.70 C ATOM 673 C PRO A 44 3.598 -11.122 5.553 1.00 0.59 C ATOM 674 O PRO A 44 4.665 -10.861 6.073 1.00 0.65 O ATOM 675 CB PRO A 44 2.518 -12.882 7.001 1.00 0.83 C ATOM 676 CG PRO A 44 1.820 -13.795 6.043 1.00 0.84 C ATOM 677 CD PRO A 44 0.755 -12.989 5.342 1.00 0.76 C ATOM 0 HA PRO A 44 2.298 -10.707 7.161 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.567 -13.156 7.112 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.069 -12.934 7.993 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.526 -14.206 5.322 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.376 -14.639 6.572 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.710 -13.228 4.279 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.233 -13.190 5.756 1.00 0.76 H new ATOM 685 N GLU A 45 3.456 -11.089 4.254 1.00 0.53 N ATOM 686 CA GLU A 45 4.609 -10.729 3.388 1.00 0.46 C ATOM 687 C GLU A 45 4.554 -9.234 3.084 1.00 0.41 C ATOM 688 O GLU A 45 5.562 -8.569 2.966 1.00 0.47 O ATOM 689 CB GLU A 45 4.410 -11.550 2.114 1.00 0.48 C ATOM 690 CG GLU A 45 4.466 -13.040 2.453 1.00 0.61 C ATOM 691 CD GLU A 45 3.048 -13.613 2.473 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.510 -13.844 1.403 1.00 1.83 O ATOM 693 OE2 GLU A 45 2.525 -13.814 3.557 1.00 1.90 O ATOM 0 H GLU A 45 2.589 -11.297 3.758 1.00 0.53 H new ATOM 0 HA GLU A 45 5.575 -10.934 3.849 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.451 -11.306 1.658 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.182 -11.303 1.385 1.00 0.48 H new ATOM 0 HG2 GLU A 45 5.073 -13.568 1.718 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.942 -13.185 3.423 1.00 0.61 H new ATOM 700 N TYR A 46 3.372 -8.703 2.972 1.00 0.43 N ATOM 701 CA TYR A 46 3.223 -7.251 2.691 1.00 0.48 C ATOM 702 C TYR A 46 3.447 -6.457 3.992 1.00 0.52 C ATOM 703 O TYR A 46 3.748 -5.280 3.966 1.00 0.69 O ATOM 704 CB TYR A 46 1.784 -7.134 2.140 1.00 0.64 C ATOM 705 CG TYR A 46 1.106 -5.847 2.568 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.407 -5.806 3.779 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.167 -4.706 1.755 1.00 1.02 C ATOM 708 CE1 TYR A 46 -0.233 -4.630 4.178 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.529 -3.530 2.157 1.00 1.38 C ATOM 710 CZ TYR A 46 -0.172 -3.494 3.367 1.00 1.50 C ATOM 711 OH TYR A 46 -0.805 -2.338 3.761 1.00 1.95 O ATOM 0 H TYR A 46 2.495 -9.216 3.064 1.00 0.43 H new ATOM 0 HA TYR A 46 3.943 -6.846 1.980 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.809 -7.184 1.051 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.195 -7.984 2.485 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.362 -6.684 4.406 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.706 -4.736 0.820 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.774 -4.599 5.112 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.577 -2.649 1.534 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.144 -1.622 3.865 1.00 1.95 H new ATOM 721 N ALA A 47 3.309 -7.094 5.126 1.00 0.53 N ATOM 722 CA ALA A 47 3.524 -6.373 6.413 1.00 0.62 C ATOM 723 C ALA A 47 5.011 -6.376 6.774 1.00 0.58 C ATOM 724 O ALA A 47 5.483 -5.529 7.506 1.00 0.68 O ATOM 725 CB ALA A 47 2.716 -7.152 7.451 1.00 0.73 C ATOM 0 H ALA A 47 3.058 -8.079 5.215 1.00 0.53 H new ATOM 0 HA ALA A 47 3.211 -5.330 6.359 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.826 -6.679 8.427 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.664 -7.155 7.166 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.081 -8.178 7.502 1.00 0.73 H new ATOM 731 N LYS A 48 5.754 -7.320 6.262 1.00 0.51 N ATOM 732 CA LYS A 48 7.209 -7.370 6.574 1.00 0.55 C ATOM 733 C LYS A 48 7.955 -6.341 5.724 1.00 0.53 C ATOM 734 O LYS A 48 8.994 -5.840 6.105 1.00 0.65 O ATOM 735 CB LYS A 48 7.647 -8.789 6.206 1.00 0.60 C ATOM 736 CG LYS A 48 8.108 -9.523 7.467 1.00 1.03 C ATOM 737 CD LYS A 48 6.919 -9.712 8.411 1.00 1.41 C ATOM 738 CE LYS A 48 7.395 -9.607 9.861 1.00 1.92 C ATOM 739 NZ LYS A 48 7.110 -10.943 10.456 1.00 2.47 N ATOM 0 H LYS A 48 5.416 -8.057 5.643 1.00 0.51 H new ATOM 0 HA LYS A 48 7.420 -7.141 7.619 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.821 -9.327 5.741 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.456 -8.754 5.476 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.533 -10.491 7.202 1.00 1.03 H new ATOM 0 HG3 LYS A 48 8.894 -8.955 7.964 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.159 -8.956 8.211 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.456 -10.683 8.239 1.00 1.41 H new ATOM 0 HE2 LYS A 48 8.458 -9.371 9.912 1.00 1.92 H new ATOM 0 HE3 LYS A 48 6.867 -8.816 10.394 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 7.409 -10.950 11.452 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 6.090 -11.138 10.399 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 7.632 -11.675 9.932 1.00 2.47 H new ATOM 753 N ALA A 49 7.427 -6.019 4.575 1.00 0.47 N ATOM 754 CA ALA A 49 8.100 -5.019 3.701 1.00 0.50 C ATOM 755 C ALA A 49 8.096 -3.648 4.381 1.00 0.53 C ATOM 756 O ALA A 49 8.921 -2.801 4.098 1.00 0.65 O ATOM 757 CB ALA A 49 7.267 -4.986 2.419 1.00 0.55 C ATOM 0 H ALA A 49 6.559 -6.405 4.204 1.00 0.47 H new ATOM 0 HA ALA A 49 9.140 -5.275 3.500 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.701 -4.269 1.722 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.260 -5.976 1.964 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.246 -4.689 2.656 1.00 0.55 H new ATOM 763 N ALA A 50 7.175 -3.426 5.279 1.00 0.54 N ATOM 764 CA ALA A 50 7.118 -2.112 5.982 1.00 0.65 C ATOM 765 C ALA A 50 8.275 -2.001 6.979 1.00 0.65 C ATOM 766 O ALA A 50 8.800 -0.932 7.219 1.00 0.77 O ATOM 767 CB ALA A 50 5.777 -2.112 6.715 1.00 0.76 C ATOM 0 H ALA A 50 6.459 -4.098 5.556 1.00 0.54 H new ATOM 0 HA ALA A 50 7.205 -1.270 5.295 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.659 -1.175 7.259 1.00 0.76 H new ATOM 0 HB2 ALA A 50 4.967 -2.217 5.993 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.746 -2.945 7.417 1.00 0.76 H new ATOM 773 N GLY A 51 8.676 -3.100 7.558 1.00 0.59 N ATOM 774 CA GLY A 51 9.800 -3.059 8.536 1.00 0.69 C ATOM 775 C GLY A 51 11.108 -2.793 7.790 1.00 0.78 C ATOM 776 O GLY A 51 12.031 -2.211 8.324 1.00 0.90 O ATOM 0 H GLY A 51 8.274 -4.024 7.396 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.625 -2.279 9.277 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.862 -4.003 9.077 1.00 0.69 H new ATOM 780 N LYS A 52 11.192 -3.214 6.557 1.00 0.80 N ATOM 781 CA LYS A 52 12.438 -2.982 5.773 1.00 1.01 C ATOM 782 C LYS A 52 12.760 -1.486 5.729 1.00 1.12 C ATOM 783 O LYS A 52 13.886 -1.088 5.506 1.00 1.31 O ATOM 784 CB LYS A 52 12.125 -3.505 4.370 1.00 1.15 C ATOM 785 CG LYS A 52 12.079 -5.034 4.394 1.00 1.49 C ATOM 786 CD LYS A 52 13.500 -5.587 4.286 1.00 1.97 C ATOM 787 CE LYS A 52 13.691 -6.706 5.313 1.00 2.64 C ATOM 788 NZ LYS A 52 15.154 -6.983 5.310 1.00 3.08 N ATOM 0 H LYS A 52 10.452 -3.708 6.059 1.00 0.80 H new ATOM 0 HA LYS A 52 13.303 -3.481 6.210 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.170 -3.107 4.027 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.884 -3.164 3.666 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.611 -5.380 5.316 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.470 -5.403 3.569 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.678 -5.967 3.280 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.225 -4.792 4.459 1.00 1.97 H new ATOM 0 HE2 LYS A 52 13.349 -6.398 6.301 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.120 -7.594 5.041 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 15.365 -7.741 5.990 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.449 -7.280 4.358 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.671 -6.122 5.579 1.00 3.08 H new ATOM 802 N LEU A 53 11.777 -0.653 5.941 1.00 1.12 N ATOM 803 CA LEU A 53 12.024 0.821 5.912 1.00 1.33 C ATOM 804 C LEU A 53 12.120 1.345 7.342 1.00 1.30 C ATOM 805 O LEU A 53 13.010 2.097 7.687 1.00 1.50 O ATOM 806 CB LEU A 53 10.810 1.452 5.209 1.00 1.55 C ATOM 807 CG LEU A 53 10.365 0.595 4.019 1.00 1.47 C ATOM 808 CD1 LEU A 53 9.174 1.263 3.328 1.00 1.82 C ATOM 809 CD2 LEU A 53 11.520 0.457 3.026 1.00 2.07 C ATOM 0 H LEU A 53 10.814 -0.927 6.133 1.00 1.12 H new ATOM 0 HA LEU A 53 12.951 1.063 5.393 1.00 1.33 H new ATOM 0 HB2 LEU A 53 9.987 1.555 5.917 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.063 2.455 4.866 1.00 1.55 H new ATOM 0 HG LEU A 53 10.073 -0.394 4.373 1.00 1.47 H new ATOM 0 HD11 LEU A 53 8.856 0.654 2.481 1.00 1.82 H new ATOM 0 HD12 LEU A 53 8.350 1.359 4.035 1.00 1.82 H new ATOM 0 HD13 LEU A 53 9.466 2.252 2.975 1.00 1.82 H new ATOM 0 HD21 LEU A 53 11.202 -0.153 2.180 1.00 2.07 H new ATOM 0 HD22 LEU A 53 11.814 1.445 2.671 1.00 2.07 H new ATOM 0 HD23 LEU A 53 12.368 -0.019 3.518 1.00 2.07 H new ATOM 821 N LYS A 54 11.200 0.951 8.173 1.00 1.20 N ATOM 822 CA LYS A 54 11.211 1.417 9.592 1.00 1.35 C ATOM 823 C LYS A 54 12.599 1.226 10.213 1.00 1.40 C ATOM 824 O LYS A 54 13.141 2.120 10.832 1.00 1.67 O ATOM 825 CB LYS A 54 10.180 0.540 10.305 1.00 1.46 C ATOM 826 CG LYS A 54 9.375 1.391 11.290 1.00 1.91 C ATOM 827 CD LYS A 54 9.991 1.278 12.686 1.00 2.50 C ATOM 828 CE LYS A 54 8.875 1.176 13.729 1.00 2.87 C ATOM 829 NZ LYS A 54 8.839 2.513 14.385 1.00 3.88 N ATOM 0 H LYS A 54 10.434 0.322 7.932 1.00 1.20 H new ATOM 0 HA LYS A 54 10.975 2.478 9.675 1.00 1.35 H new ATOM 0 HB2 LYS A 54 9.513 0.080 9.576 1.00 1.46 H new ATOM 0 HB3 LYS A 54 10.681 -0.271 10.834 1.00 1.46 H new ATOM 0 HG2 LYS A 54 9.369 2.432 10.967 1.00 1.91 H new ATOM 0 HG3 LYS A 54 8.337 1.058 11.311 1.00 1.91 H new ATOM 0 HD2 LYS A 54 10.636 0.401 12.741 1.00 2.50 H new ATOM 0 HD3 LYS A 54 10.616 2.147 12.891 1.00 2.50 H new ATOM 0 HE2 LYS A 54 7.919 0.939 13.262 1.00 2.87 H new ATOM 0 HE3 LYS A 54 9.081 0.387 14.452 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 8.097 2.522 15.114 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 9.760 2.708 14.826 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 8.634 3.243 13.674 1.00 3.88 H new ATOM 843 N ALA A 55 13.178 0.067 10.055 1.00 1.63 N ATOM 844 CA ALA A 55 14.529 -0.177 10.640 1.00 2.20 C ATOM 845 C ALA A 55 15.589 0.641 9.898 1.00 2.03 C ATOM 846 O ALA A 55 16.658 0.903 10.412 1.00 2.38 O ATOM 847 CB ALA A 55 14.778 -1.675 10.450 1.00 2.78 C ATOM 0 H ALA A 55 12.776 -0.721 9.547 1.00 1.63 H new ATOM 0 HA ALA A 55 14.582 0.117 11.688 1.00 2.20 H new ATOM 0 HB1 ALA A 55 15.755 -1.936 10.856 1.00 2.78 H new ATOM 0 HB2 ALA A 55 14.006 -2.241 10.971 1.00 2.78 H new ATOM 0 HB3 ALA A 55 14.750 -1.917 9.387 1.00 2.78 H new ATOM 853 N GLU A 56 15.305 1.044 8.689 1.00 1.67 N ATOM 854 CA GLU A 56 16.300 1.842 7.917 1.00 1.70 C ATOM 855 C GLU A 56 15.979 3.341 8.004 1.00 1.53 C ATOM 856 O GLU A 56 16.789 4.176 7.657 1.00 1.98 O ATOM 857 CB GLU A 56 16.164 1.352 6.475 1.00 1.99 C ATOM 858 CG GLU A 56 16.772 -0.047 6.353 1.00 2.69 C ATOM 859 CD GLU A 56 18.279 0.070 6.117 1.00 3.21 C ATOM 860 OE1 GLU A 56 18.672 0.160 4.965 1.00 3.63 O ATOM 861 OE2 GLU A 56 19.013 0.068 7.090 1.00 3.64 O ATOM 0 H GLU A 56 14.428 0.855 8.203 1.00 1.67 H new ATOM 0 HA GLU A 56 17.311 1.716 8.303 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.114 1.330 6.184 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.668 2.040 5.797 1.00 1.99 H new ATOM 0 HG2 GLU A 56 16.579 -0.619 7.260 1.00 2.69 H new ATOM 0 HG3 GLU A 56 16.305 -0.587 5.530 1.00 2.69 H new ATOM 868 N GLY A 57 14.805 3.688 8.459 1.00 1.58 N ATOM 869 CA GLY A 57 14.444 5.131 8.558 1.00 2.25 C ATOM 870 C GLY A 57 14.204 5.686 7.152 1.00 1.97 C ATOM 871 O GLY A 57 14.551 6.810 6.849 1.00 2.50 O ATOM 0 H GLY A 57 14.082 3.037 8.766 1.00 1.58 H new ATOM 0 HA2 GLY A 57 13.549 5.254 9.168 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.243 5.686 9.050 1.00 2.25 H new ATOM 875 N SER A 58 13.612 4.904 6.290 1.00 1.30 N ATOM 876 CA SER A 58 13.349 5.382 4.902 1.00 1.23 C ATOM 877 C SER A 58 12.055 6.199 4.857 1.00 1.03 C ATOM 878 O SER A 58 11.219 6.104 5.734 1.00 1.27 O ATOM 879 CB SER A 58 13.211 4.110 4.065 1.00 1.53 C ATOM 880 OG SER A 58 14.268 4.047 3.119 1.00 2.13 O ATOM 0 H SER A 58 13.299 3.954 6.487 1.00 1.30 H new ATOM 0 HA SER A 58 14.144 6.030 4.532 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.235 3.233 4.711 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.249 4.102 3.552 1.00 1.53 H new ATOM 0 HG SER A 58 14.180 3.231 2.584 1.00 2.13 H new ATOM 886 N GLU A 59 11.885 7.004 3.843 1.00 0.85 N ATOM 887 CA GLU A 59 10.649 7.829 3.743 1.00 0.87 C ATOM 888 C GLU A 59 9.548 7.066 2.998 1.00 0.76 C ATOM 889 O GLU A 59 8.564 7.640 2.573 1.00 1.06 O ATOM 890 CB GLU A 59 11.072 9.062 2.949 1.00 1.10 C ATOM 891 CG GLU A 59 11.549 8.636 1.559 1.00 1.05 C ATOM 892 CD GLU A 59 10.362 8.115 0.748 1.00 1.58 C ATOM 893 OE1 GLU A 59 9.604 7.324 1.285 1.00 2.13 O ATOM 894 OE2 GLU A 59 10.230 8.516 -0.397 1.00 2.22 O ATOM 0 H GLU A 59 12.550 7.125 3.079 1.00 0.85 H new ATOM 0 HA GLU A 59 10.244 8.083 4.722 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.236 9.755 2.861 1.00 1.10 H new ATOM 0 HB3 GLU A 59 11.869 9.589 3.473 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.010 9.481 1.047 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.311 7.862 1.646 1.00 1.05 H new ATOM 901 N ILE A 60 9.698 5.779 2.834 1.00 0.59 N ATOM 902 CA ILE A 60 8.650 4.996 2.116 1.00 0.57 C ATOM 903 C ILE A 60 7.743 4.287 3.123 1.00 0.52 C ATOM 904 O ILE A 60 8.043 4.219 4.298 1.00 0.63 O ATOM 905 CB ILE A 60 9.409 3.970 1.272 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.467 4.679 0.424 1.00 1.46 C ATOM 907 CG2 ILE A 60 8.426 3.243 0.352 1.00 1.34 C ATOM 908 CD1 ILE A 60 11.853 4.420 1.017 1.00 1.60 C ATOM 0 H ILE A 60 10.497 5.238 3.164 1.00 0.59 H new ATOM 0 HA ILE A 60 8.016 5.634 1.500 1.00 0.57 H new ATOM 0 HB ILE A 60 9.897 3.251 1.931 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.426 4.318 -0.604 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.267 5.750 0.394 1.00 1.46 H new ATOM 0 HG21 ILE A 60 8.965 2.511 -0.250 1.00 1.34 H new ATOM 0 HG22 ILE A 60 7.673 2.734 0.954 1.00 1.34 H new ATOM 0 HG23 ILE A 60 7.939 3.965 -0.304 1.00 1.34 H new ATOM 0 HD11 ILE A 60 12.607 4.925 0.413 1.00 1.60 H new ATOM 0 HD12 ILE A 60 11.889 4.802 2.037 1.00 1.60 H new ATOM 0 HD13 ILE A 60 12.051 3.348 1.024 1.00 1.60 H new ATOM 920 N ARG A 61 6.639 3.756 2.674 1.00 0.45 N ATOM 921 CA ARG A 61 5.719 3.052 3.615 1.00 0.45 C ATOM 922 C ARG A 61 4.667 2.246 2.847 1.00 0.41 C ATOM 923 O ARG A 61 4.457 2.441 1.666 1.00 0.55 O ATOM 924 CB ARG A 61 5.050 4.165 4.422 1.00 0.51 C ATOM 925 CG ARG A 61 5.800 4.361 5.740 1.00 0.75 C ATOM 926 CD ARG A 61 4.803 4.345 6.901 1.00 0.97 C ATOM 927 NE ARG A 61 5.493 3.600 7.990 1.00 1.30 N ATOM 928 CZ ARG A 61 4.810 2.814 8.778 1.00 1.66 C ATOM 929 NH1 ARG A 61 3.561 3.081 9.043 1.00 2.21 N ATOM 930 NH2 ARG A 61 5.378 1.761 9.301 1.00 2.19 N ATOM 0 H ARG A 61 6.334 3.778 1.701 1.00 0.45 H new ATOM 0 HA ARG A 61 6.253 2.344 4.250 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.049 5.093 3.850 1.00 0.51 H new ATOM 0 HB3 ARG A 61 4.008 3.911 4.618 1.00 0.51 H new ATOM 0 HG2 ARG A 61 6.540 3.571 5.871 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.342 5.306 5.725 1.00 0.75 H new ATOM 0 HD2 ARG A 61 4.547 5.357 7.216 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.872 3.855 6.615 1.00 0.97 H new ATOM 0 HE ARG A 61 6.499 3.704 8.121 1.00 1.30 H new ATOM 0 HH11 ARG A 61 3.118 3.904 8.635 1.00 2.21 H new ATOM 0 HH12 ARG A 61 3.028 2.467 9.659 1.00 2.21 H new ATOM 0 HH21 ARG A 61 6.355 1.553 9.094 1.00 2.19 H new ATOM 0 HH22 ARG A 61 4.845 1.147 9.917 1.00 2.19 H new ATOM 944 N LEU A 62 4.002 1.342 3.516 1.00 0.35 N ATOM 945 CA LEU A 62 2.959 0.521 2.835 1.00 0.36 C ATOM 946 C LEU A 62 1.591 0.781 3.473 1.00 0.32 C ATOM 947 O LEU A 62 1.496 1.184 4.620 1.00 0.38 O ATOM 948 CB LEU A 62 3.389 -0.929 3.049 1.00 0.48 C ATOM 949 CG LEU A 62 4.784 -1.140 2.457 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.525 -2.207 3.264 1.00 1.22 C ATOM 951 CD2 LEU A 62 4.658 -1.598 1.003 1.00 1.59 C ATOM 0 H LEU A 62 4.136 1.137 4.506 1.00 0.35 H new ATOM 0 HA LEU A 62 2.868 0.761 1.776 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.394 -1.165 4.113 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.676 -1.605 2.577 1.00 0.48 H new ATOM 0 HG LEU A 62 5.340 -0.203 2.496 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.519 -2.357 2.842 1.00 1.22 H new ATOM 0 HD12 LEU A 62 5.616 -1.882 4.300 1.00 1.22 H new ATOM 0 HD13 LEU A 62 4.969 -3.144 3.225 1.00 1.22 H new ATOM 0 HD21 LEU A 62 5.652 -1.748 0.581 1.00 1.59 H new ATOM 0 HD22 LEU A 62 4.102 -2.535 0.963 1.00 1.59 H new ATOM 0 HD23 LEU A 62 4.130 -0.838 0.427 1.00 1.59 H new ATOM 963 N ALA A 63 0.527 0.556 2.750 1.00 0.30 N ATOM 964 CA ALA A 63 -0.821 0.802 3.341 1.00 0.32 C ATOM 965 C ALA A 63 -1.864 -0.146 2.743 1.00 0.31 C ATOM 966 O ALA A 63 -1.723 -0.627 1.637 1.00 0.37 O ATOM 967 CB ALA A 63 -1.153 2.254 2.994 1.00 0.37 C ATOM 0 H ALA A 63 0.531 0.217 1.788 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.826 0.626 4.417 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.133 2.509 3.397 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.400 2.913 3.427 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.163 2.376 1.911 1.00 0.37 H new ATOM 973 N LYS A 64 -2.906 -0.426 3.481 1.00 0.30 N ATOM 974 CA LYS A 64 -3.958 -1.354 2.974 1.00 0.32 C ATOM 975 C LYS A 64 -5.337 -0.689 3.041 1.00 0.32 C ATOM 976 O LYS A 64 -5.508 0.351 3.645 1.00 0.40 O ATOM 977 CB LYS A 64 -3.903 -2.559 3.913 1.00 0.38 C ATOM 978 CG LYS A 64 -3.492 -3.805 3.126 1.00 1.39 C ATOM 979 CD LYS A 64 -3.481 -5.017 4.059 1.00 1.60 C ATOM 980 CE LYS A 64 -2.876 -6.219 3.330 1.00 2.04 C ATOM 981 NZ LYS A 64 -4.049 -7.019 2.875 1.00 2.26 N ATOM 0 H LYS A 64 -3.074 -0.051 4.415 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.793 -1.633 1.933 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -3.191 -2.374 4.718 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.876 -2.715 4.378 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.186 -3.973 2.302 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -2.505 -3.662 2.687 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -2.903 -4.794 4.956 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -4.496 -5.248 4.384 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -2.262 -5.902 2.487 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.233 -6.800 3.991 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -4.120 -7.886 3.445 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -4.917 -6.458 2.989 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -3.929 -7.272 1.873 1.00 2.26 H new ATOM 995 N VAL A 65 -6.320 -1.288 2.428 1.00 0.30 N ATOM 996 CA VAL A 65 -7.691 -0.702 2.455 1.00 0.32 C ATOM 997 C VAL A 65 -8.733 -1.820 2.527 1.00 0.31 C ATOM 998 O VAL A 65 -8.509 -2.924 2.072 1.00 0.36 O ATOM 999 CB VAL A 65 -7.831 0.072 1.136 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.289 0.521 0.943 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.925 1.302 1.167 1.00 0.70 C ATOM 0 H VAL A 65 -6.233 -2.161 1.908 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.844 -0.056 3.320 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.542 -0.578 0.310 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.380 1.069 0.005 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -9.939 -0.354 0.916 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.584 1.166 1.771 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.025 1.851 0.231 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.214 1.946 1.998 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.889 0.988 1.295 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.875 -1.532 3.079 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.940 -2.567 3.162 1.00 0.39 C ATOM 1013 C ASP A 66 -12.066 -2.218 2.187 1.00 0.40 C ATOM 1014 O ASP A 66 -12.928 -1.417 2.484 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.437 -2.518 4.606 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.518 -3.364 5.490 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.313 -3.208 5.377 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -11.034 -4.154 6.263 1.00 1.38 O ATOM 0 H ASP A 66 -10.118 -0.625 3.477 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.581 -3.562 2.900 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.454 -1.488 4.961 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.459 -2.892 4.663 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.061 -2.806 1.019 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.132 -2.500 0.023 1.00 0.46 C ATOM 1025 C ALA A 67 -14.512 -2.615 0.675 1.00 0.51 C ATOM 1026 O ALA A 67 -15.467 -1.998 0.246 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.967 -3.555 -1.072 1.00 0.51 C ATOM 0 H ALA A 67 -11.363 -3.484 0.712 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.052 -1.487 -0.371 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.720 -3.398 -1.845 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.973 -3.471 -1.512 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -13.090 -4.549 -0.641 1.00 0.51 H new ATOM 1033 N THR A 68 -14.619 -3.396 1.713 1.00 0.53 N ATOM 1034 CA THR A 68 -15.931 -3.548 2.400 1.00 0.62 C ATOM 1035 C THR A 68 -16.047 -2.555 3.565 1.00 0.64 C ATOM 1036 O THR A 68 -16.939 -2.650 4.384 1.00 0.86 O ATOM 1037 CB THR A 68 -15.942 -4.986 2.921 1.00 0.66 C ATOM 1038 OG1 THR A 68 -17.147 -5.221 3.635 1.00 1.29 O ATOM 1039 CG2 THR A 68 -14.746 -5.204 3.849 1.00 1.35 C ATOM 0 H THR A 68 -13.853 -3.936 2.116 1.00 0.53 H new ATOM 0 HA THR A 68 -16.768 -3.348 1.731 1.00 0.62 H new ATOM 0 HB THR A 68 -15.877 -5.677 2.081 1.00 0.66 H new ATOM 0 HG1 THR A 68 -17.469 -4.379 4.019 1.00 1.29 H new ATOM 0 HG21 THR A 68 -14.755 -6.229 4.220 1.00 1.35 H new ATOM 0 HG22 THR A 68 -13.822 -5.025 3.300 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.808 -4.514 4.690 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.156 -1.600 3.646 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.226 -0.609 4.757 1.00 0.61 C ATOM 1049 C GLU A 69 -15.123 0.812 4.198 1.00 0.57 C ATOM 1050 O GLU A 69 -16.002 1.627 4.390 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.027 -0.925 5.650 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.246 -0.304 7.032 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.935 1.193 6.974 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -14.821 1.948 6.607 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -12.818 1.559 7.297 1.00 2.10 O ATOM 0 H GLU A 69 -14.385 -1.465 2.991 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.165 -0.668 5.307 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.900 -2.004 5.740 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.113 -0.533 5.203 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.276 -0.460 7.354 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -13.605 -0.791 7.767 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.058 1.118 3.502 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.918 2.487 2.936 1.00 0.57 C ATOM 1064 C GLU A 70 -14.013 2.433 1.408 1.00 0.72 C ATOM 1065 O GLU A 70 -13.242 3.053 0.702 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.537 2.965 3.391 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.443 2.121 2.731 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.691 0.642 3.034 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -11.530 0.259 4.180 1.00 1.89 O ATOM 1070 OE2 GLU A 70 -12.034 -0.082 2.114 1.00 1.97 O ATOM 0 H GLU A 70 -13.286 0.482 3.304 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.703 3.164 3.273 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.403 4.015 3.131 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.458 2.893 4.476 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.440 2.287 1.654 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -10.463 2.421 3.103 1.00 1.05 H new ATOM 1077 N SER A 71 -14.958 1.692 0.899 1.00 0.55 N ATOM 1078 CA SER A 71 -15.118 1.584 -0.580 1.00 0.66 C ATOM 1079 C SER A 71 -15.319 2.968 -1.205 1.00 0.70 C ATOM 1080 O SER A 71 -15.145 3.150 -2.394 1.00 0.94 O ATOM 1081 CB SER A 71 -16.367 0.727 -0.778 1.00 0.79 C ATOM 1082 OG SER A 71 -16.080 -0.313 -1.703 1.00 1.48 O ATOM 0 H SER A 71 -15.630 1.154 1.446 1.00 0.55 H new ATOM 0 HA SER A 71 -14.238 1.150 -1.055 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.687 0.304 0.174 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.189 1.341 -1.147 1.00 0.79 H new ATOM 0 HG SER A 71 -15.882 -1.139 -1.215 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.688 3.944 -0.416 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.905 5.317 -0.965 1.00 0.71 C ATOM 1090 C ASP A 72 -14.736 5.736 -1.864 1.00 0.68 C ATOM 1091 O ASP A 72 -14.886 6.556 -2.749 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.988 6.223 0.264 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.413 6.763 0.401 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.940 7.248 -0.587 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -17.954 6.682 1.492 1.00 1.83 O ATOM 0 H ASP A 72 -15.849 3.850 0.587 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.803 5.373 -1.580 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.710 5.667 1.159 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.282 7.048 0.170 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.574 5.180 -1.650 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.403 5.548 -2.501 1.00 0.68 C ATOM 1102 C LEU A 73 -12.221 4.501 -3.598 1.00 0.60 C ATOM 1103 O LEU A 73 -11.887 4.811 -4.724 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.183 5.555 -1.566 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.513 6.272 -0.250 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -10.285 6.252 0.661 1.00 0.97 C ATOM 1107 CD2 LEU A 73 -11.911 7.721 -0.535 1.00 1.22 C ATOM 0 H LEU A 73 -13.384 4.488 -0.925 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.538 6.517 -2.981 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.871 4.531 -1.360 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.345 6.051 -2.056 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.342 5.761 0.240 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -10.518 6.761 1.596 1.00 0.97 H new ATOM 0 HD12 LEU A 73 -10.004 5.220 0.870 1.00 0.97 H new ATOM 0 HD13 LEU A 73 -9.457 6.761 0.167 1.00 0.97 H new ATOM 0 HD21 LEU A 73 -12.144 8.225 0.403 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -11.086 8.235 -1.028 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -12.787 7.737 -1.183 1.00 1.22 H new ATOM 1119 N ALA A 74 -12.447 3.262 -3.271 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.299 2.180 -4.284 1.00 0.56 C ATOM 1121 C ALA A 74 -13.199 2.468 -5.487 1.00 0.59 C ATOM 1122 O ALA A 74 -12.731 2.651 -6.592 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.747 0.912 -3.563 1.00 0.60 C ATOM 0 H ALA A 74 -12.729 2.949 -2.342 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.281 2.093 -4.664 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.669 0.062 -4.240 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -12.111 0.743 -2.694 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.782 1.024 -3.239 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.487 2.519 -5.280 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.408 2.808 -6.415 1.00 0.76 C ATOM 1131 C GLN A 75 -14.984 4.111 -7.095 1.00 0.78 C ATOM 1132 O GLN A 75 -15.193 4.308 -8.275 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.792 2.956 -5.781 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.610 1.689 -6.036 1.00 1.42 C ATOM 1135 CD GLN A 75 -19.097 2.044 -6.086 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.686 2.095 -7.148 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.735 2.293 -4.975 1.00 2.40 N ATOM 0 H GLN A 75 -14.940 2.374 -4.378 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.398 2.026 -7.174 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.696 3.130 -4.709 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -17.304 3.822 -6.199 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -17.303 1.228 -6.975 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.426 0.959 -5.248 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -19.242 2.250 -4.083 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.727 2.530 -4.999 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.377 4.996 -6.353 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.923 6.282 -6.948 1.00 0.84 C ATOM 1148 C GLN A 76 -12.915 6.003 -8.061 1.00 0.83 C ATOM 1149 O GLN A 76 -12.897 6.664 -9.081 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.253 7.034 -5.796 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.465 8.538 -5.973 1.00 1.14 C ATOM 1152 CD GLN A 76 -12.678 9.293 -4.900 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -11.486 9.102 -4.757 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -13.296 10.150 -4.135 1.00 1.97 N ATOM 0 H GLN A 76 -14.176 4.883 -5.359 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.741 6.855 -7.385 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.670 6.707 -4.844 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.187 6.807 -5.771 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -13.137 8.848 -6.965 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.526 8.778 -5.898 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -14.296 10.311 -4.254 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -12.779 10.659 -3.418 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.080 5.020 -7.874 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.076 4.685 -8.920 1.00 0.81 C ATOM 1165 C TYR A 77 -11.683 3.713 -9.931 1.00 0.83 C ATOM 1166 O TYR A 77 -11.674 3.950 -11.121 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.918 4.030 -8.166 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.950 5.096 -7.708 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.144 5.758 -8.642 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -8.857 5.420 -6.349 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.246 6.744 -8.218 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -7.959 6.406 -5.925 1.00 1.19 C ATOM 1173 CZ TYR A 77 -7.159 7.074 -6.861 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.268 8.040 -6.439 1.00 1.22 O ATOM 0 H TYR A 77 -12.050 4.433 -7.040 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.747 5.562 -9.478 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.296 3.474 -7.308 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.409 3.314 -8.811 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.215 5.508 -9.690 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -9.478 4.909 -5.628 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -6.620 7.250 -8.938 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -7.883 6.652 -4.876 1.00 1.19 H new ATOM 0 HH TYR A 77 -5.516 7.613 -5.979 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.208 2.619 -9.461 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.818 1.625 -10.387 1.00 0.87 C ATOM 1186 C GLY A 78 -12.113 0.284 -10.206 1.00 0.88 C ATOM 1187 O GLY A 78 -11.402 -0.180 -11.075 1.00 1.52 O ATOM 0 H GLY A 78 -12.242 2.368 -8.473 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.883 1.522 -10.181 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -12.724 1.964 -11.419 1.00 0.87 H new ATOM 1191 N VAL A 79 -12.296 -0.339 -9.076 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.624 -1.644 -8.836 1.00 0.79 C ATOM 1193 C VAL A 79 -12.561 -2.602 -8.089 1.00 1.13 C ATOM 1194 O VAL A 79 -13.165 -2.248 -7.095 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.397 -1.295 -7.988 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.832 -0.810 -6.603 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -9.517 -2.531 -7.835 1.00 1.30 C ATOM 0 H VAL A 79 -12.880 -0.002 -8.311 1.00 0.80 H new ATOM 0 HA VAL A 79 -11.349 -2.150 -9.761 1.00 0.79 H new ATOM 0 HB VAL A 79 -9.838 -0.502 -8.485 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -9.951 -0.565 -6.010 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -11.457 0.077 -6.708 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -11.399 -1.596 -6.104 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -8.644 -2.283 -7.232 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -10.084 -3.323 -7.345 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -9.194 -2.872 -8.819 1.00 1.30 H new ATOM 1207 N ARG A 80 -12.687 -3.810 -8.565 1.00 1.27 N ATOM 1208 CA ARG A 80 -13.580 -4.790 -7.894 1.00 1.72 C ATOM 1209 C ARG A 80 -12.771 -6.052 -7.541 1.00 1.38 C ATOM 1210 O ARG A 80 -12.953 -6.646 -6.497 1.00 1.87 O ATOM 1211 CB ARG A 80 -14.682 -5.059 -8.943 1.00 2.38 C ATOM 1212 CG ARG A 80 -15.207 -6.496 -8.853 1.00 2.85 C ATOM 1213 CD ARG A 80 -15.846 -6.726 -7.481 1.00 3.49 C ATOM 1214 NE ARG A 80 -17.276 -6.348 -7.655 1.00 4.06 N ATOM 1215 CZ ARG A 80 -17.974 -5.945 -6.629 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -18.245 -6.772 -5.657 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -18.403 -4.713 -6.576 1.00 5.09 N ATOM 0 H ARG A 80 -12.207 -4.160 -9.394 1.00 1.27 H new ATOM 0 HA ARG A 80 -14.010 -4.442 -6.955 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -15.505 -4.360 -8.794 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -14.286 -4.877 -9.942 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -15.939 -6.676 -9.641 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -14.391 -7.202 -9.008 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -15.748 -7.766 -7.169 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -15.367 -6.116 -6.715 1.00 3.49 H new ATOM 0 HE ARG A 80 -17.710 -6.404 -8.576 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -17.911 -7.735 -5.699 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -18.791 -6.456 -4.855 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -18.192 -4.066 -7.336 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -18.949 -4.397 -5.774 1.00 5.09 H new ATOM 1231 N GLY A 81 -11.885 -6.460 -8.408 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.072 -7.676 -8.125 1.00 0.81 C ATOM 1233 C GLY A 81 -10.017 -7.352 -7.065 1.00 0.74 C ATOM 1234 O GLY A 81 -9.346 -6.341 -7.133 1.00 1.17 O ATOM 0 H GLY A 81 -11.689 -6.004 -9.299 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.716 -8.484 -7.777 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.590 -8.024 -9.038 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.865 -8.201 -6.086 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.852 -7.939 -5.024 1.00 0.52 C ATOM 1240 C TYR A 82 -7.779 -9.041 -5.027 1.00 0.54 C ATOM 1241 O TYR A 82 -8.036 -10.136 -5.487 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.637 -7.965 -3.707 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.803 -6.996 -3.763 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.685 -5.816 -4.507 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.998 -7.272 -3.078 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.753 -4.913 -4.567 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.065 -6.369 -3.139 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.972 -5.222 -3.849 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.996 -4.299 -3.943 1.00 0.85 O ATOM 0 H TYR A 82 -10.398 -9.064 -5.975 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.337 -6.990 -5.175 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.004 -8.973 -3.515 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.978 -7.703 -2.879 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.768 -5.602 -5.036 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.093 -8.182 -2.504 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.669 -4.001 -5.139 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.979 -6.592 -2.609 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.766 -4.610 -3.422 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.600 -8.729 -4.519 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.296 -7.389 -3.960 1.00 0.51 C ATOM 1261 C PRO A 83 -5.735 -6.468 -5.048 1.00 0.51 C ATOM 1262 O PRO A 83 -4.977 -6.890 -5.900 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.229 -7.687 -2.916 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.569 -8.965 -3.359 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.441 -9.613 -4.415 1.00 0.64 C ATOM 0 HA PRO A 83 -7.172 -6.883 -3.553 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.505 -6.874 -2.853 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.671 -7.798 -1.926 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.577 -8.760 -3.760 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.437 -9.637 -2.511 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -4.917 -9.696 -5.367 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.735 -10.622 -4.124 1.00 0.64 H new ATOM 1273 N THR A 84 -6.086 -5.211 -5.021 1.00 0.45 N ATOM 1274 CA THR A 84 -5.554 -4.268 -6.047 1.00 0.45 C ATOM 1275 C THR A 84 -4.490 -3.373 -5.408 1.00 0.43 C ATOM 1276 O THR A 84 -4.794 -2.469 -4.655 1.00 0.52 O ATOM 1277 CB THR A 84 -6.764 -3.452 -6.506 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.862 -4.326 -6.720 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.428 -2.722 -7.807 1.00 0.56 C ATOM 0 H THR A 84 -6.717 -4.797 -4.335 1.00 0.45 H new ATOM 0 HA THR A 84 -5.082 -4.776 -6.888 1.00 0.45 H new ATOM 0 HB THR A 84 -7.023 -2.720 -5.741 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.539 -5.171 -7.096 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.291 -2.141 -8.132 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.583 -2.054 -7.641 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.170 -3.450 -8.576 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.242 -3.636 -5.683 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.149 -2.821 -5.071 1.00 0.41 C ATOM 1289 C ILE A 85 -1.962 -1.495 -5.812 1.00 0.41 C ATOM 1290 O ILE A 85 -1.937 -1.443 -7.025 1.00 0.54 O ATOM 1291 CB ILE A 85 -0.890 -3.684 -5.200 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.149 -5.077 -4.612 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.262 -3.022 -4.441 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.611 -4.946 -3.159 1.00 1.27 C ATOM 0 H ILE A 85 -2.929 -4.381 -6.306 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.374 -2.564 -4.036 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.630 -3.780 -6.254 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -1.907 -5.595 -5.199 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -0.241 -5.678 -4.662 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.158 -3.636 -4.532 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.454 -2.034 -4.860 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.005 -2.924 -3.389 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -1.794 -5.937 -2.745 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -0.838 -4.446 -2.575 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -2.530 -4.361 -3.121 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.815 -0.423 -5.079 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.612 0.909 -5.716 1.00 0.40 C ATOM 1308 C LYS A 86 -0.410 1.608 -5.074 1.00 0.38 C ATOM 1309 O LYS A 86 -0.232 1.574 -3.873 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.899 1.685 -5.439 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.695 1.835 -6.737 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.474 0.547 -7.010 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.229 0.680 -8.333 1.00 1.37 C ATOM 1314 NZ LYS A 86 -4.193 0.468 -9.383 1.00 1.73 N ATOM 0 H LYS A 86 -1.827 -0.414 -4.059 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.411 0.836 -6.785 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.497 1.163 -4.692 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.663 2.667 -5.029 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -4.381 2.678 -6.660 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -3.021 2.048 -7.567 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -3.791 -0.302 -7.052 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -5.174 0.353 -6.197 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -6.027 -0.058 -8.409 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -5.693 1.662 -8.427 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -4.200 1.271 -10.044 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -3.256 0.395 -8.937 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -4.399 -0.410 -9.902 1.00 1.73 H new ATOM 1328 N PHE A 87 0.420 2.235 -5.863 1.00 0.37 N ATOM 1329 CA PHE A 87 1.612 2.924 -5.289 1.00 0.36 C ATOM 1330 C PHE A 87 1.479 4.442 -5.447 1.00 0.33 C ATOM 1331 O PHE A 87 1.417 4.960 -6.544 1.00 0.37 O ATOM 1332 CB PHE A 87 2.797 2.390 -6.102 1.00 0.42 C ATOM 1333 CG PHE A 87 4.078 3.110 -5.727 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.274 3.603 -4.426 1.00 0.44 C ATOM 1335 CD2 PHE A 87 5.081 3.272 -6.690 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.468 4.256 -4.097 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.273 3.926 -6.360 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.467 4.417 -5.065 1.00 0.72 C ATOM 0 H PHE A 87 0.325 2.300 -6.876 1.00 0.37 H new ATOM 0 HA PHE A 87 1.730 2.735 -4.222 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.911 1.320 -5.926 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.601 2.519 -7.166 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.503 3.478 -3.680 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.934 2.891 -7.690 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.618 4.635 -3.097 1.00 0.46 H new ATOM 0 HE2 PHE A 87 7.044 4.052 -7.106 1.00 0.97 H new ATOM 0 HZ PHE A 87 7.388 4.921 -4.811 1.00 0.72 H new ATOM 1348 N PHE A 88 1.432 5.157 -4.354 1.00 0.33 N ATOM 1349 CA PHE A 88 1.298 6.640 -4.438 1.00 0.35 C ATOM 1350 C PHE A 88 2.659 7.313 -4.251 1.00 0.42 C ATOM 1351 O PHE A 88 3.595 6.720 -3.753 1.00 0.61 O ATOM 1352 CB PHE A 88 0.357 7.018 -3.294 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.067 6.728 -3.699 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.602 5.451 -3.501 1.00 0.63 C ATOM 1355 CD2 PHE A 88 -1.850 7.736 -4.272 1.00 0.54 C ATOM 1356 CE1 PHE A 88 -2.921 5.180 -3.875 1.00 0.73 C ATOM 1357 CE2 PHE A 88 -3.172 7.466 -4.646 1.00 0.62 C ATOM 1358 CZ PHE A 88 -3.708 6.193 -4.450 1.00 0.62 C ATOM 0 H PHE A 88 1.481 4.778 -3.408 1.00 0.33 H new ATOM 0 HA PHE A 88 0.917 6.961 -5.407 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.613 6.455 -2.397 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.469 8.074 -3.050 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -0.996 4.674 -3.059 1.00 0.63 H new ATOM 0 HD2 PHE A 88 -1.435 8.721 -4.426 1.00 0.54 H new ATOM 0 HE1 PHE A 88 -3.335 4.194 -3.723 1.00 0.73 H new ATOM 0 HE2 PHE A 88 -3.777 8.244 -5.087 1.00 0.62 H new ATOM 0 HZ PHE A 88 -4.727 5.986 -4.740 1.00 0.62 H new ATOM 1368 N ARG A 89 2.772 8.552 -4.647 1.00 0.47 N ATOM 1369 CA ARG A 89 4.069 9.272 -4.494 1.00 0.55 C ATOM 1370 C ARG A 89 3.839 10.646 -3.856 1.00 0.64 C ATOM 1371 O ARG A 89 3.406 11.577 -4.505 1.00 1.05 O ATOM 1372 CB ARG A 89 4.606 9.425 -5.916 1.00 0.73 C ATOM 1373 CG ARG A 89 5.899 10.245 -5.892 1.00 1.15 C ATOM 1374 CD ARG A 89 5.823 11.345 -6.951 1.00 1.42 C ATOM 1375 NE ARG A 89 6.416 10.740 -8.176 1.00 1.73 N ATOM 1376 CZ ARG A 89 6.004 11.118 -9.354 1.00 2.07 C ATOM 1377 NH1 ARG A 89 5.001 10.507 -9.923 1.00 2.56 N ATOM 1378 NH2 ARG A 89 6.595 12.107 -9.966 1.00 2.43 N ATOM 0 H ARG A 89 2.021 9.097 -5.070 1.00 0.47 H new ATOM 0 HA ARG A 89 4.766 8.736 -3.850 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.794 8.444 -6.352 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.864 9.916 -6.545 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.046 10.684 -4.905 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.756 9.599 -6.084 1.00 1.15 H new ATOM 0 HD2 ARG A 89 4.793 11.657 -7.123 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.377 12.231 -6.640 1.00 1.42 H new ATOM 0 HE ARG A 89 7.144 10.030 -8.094 1.00 1.73 H new ATOM 0 HH11 ARG A 89 4.538 9.733 -9.446 1.00 2.56 H new ATOM 0 HH12 ARG A 89 4.680 10.804 -10.844 1.00 2.56 H new ATOM 0 HH21 ARG A 89 7.380 12.585 -9.523 1.00 2.43 H new ATOM 0 HH22 ARG A 89 6.272 12.402 -10.887 1.00 2.43 H new ATOM 1392 N ASN A 90 4.128 10.779 -2.589 1.00 0.57 N ATOM 1393 CA ASN A 90 3.933 12.093 -1.906 1.00 0.68 C ATOM 1394 C ASN A 90 2.536 12.654 -2.198 1.00 0.69 C ATOM 1395 O ASN A 90 2.392 13.723 -2.757 1.00 0.98 O ATOM 1396 CB ASN A 90 5.011 13.002 -2.494 1.00 0.87 C ATOM 1397 CG ASN A 90 5.055 14.315 -1.710 1.00 1.10 C ATOM 1398 OD1 ASN A 90 6.060 14.549 -0.911 1.00 1.65 O flip ATOM 1399 ND2 ASN A 90 4.167 15.136 -1.825 1.00 1.74 N flip ATOM 0 H ASN A 90 4.492 10.033 -1.996 1.00 0.57 H new ATOM 0 HA ASN A 90 4.012 12.008 -0.822 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.982 12.508 -2.451 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.801 13.201 -3.545 1.00 0.87 H new ATOM 0 HD21 ASN A 90 3.381 14.953 -2.449 1.00 1.74 H new ATOM 0 HD22 ASN A 90 4.207 16.008 -1.297 1.00 1.74 H new ATOM 1406 N GLY A 91 1.507 11.944 -1.823 1.00 0.65 N ATOM 1407 CA GLY A 91 0.124 12.440 -2.078 1.00 0.75 C ATOM 1408 C GLY A 91 -0.040 12.757 -3.565 1.00 0.79 C ATOM 1409 O GLY A 91 -0.260 13.887 -3.951 1.00 1.19 O ATOM 0 H GLY A 91 1.564 11.042 -1.351 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -0.605 11.689 -1.773 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.069 13.332 -1.482 1.00 0.75 H new ATOM 1413 N ASP A 92 0.064 11.765 -4.400 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.086 12.002 -5.862 1.00 1.27 C ATOM 1415 C ASP A 92 -1.567 11.994 -6.249 1.00 1.14 C ATOM 1416 O ASP A 92 -2.006 12.777 -7.067 1.00 1.70 O ATOM 1417 CB ASP A 92 0.651 10.839 -6.529 1.00 1.93 C ATOM 1418 CG ASP A 92 0.685 11.059 -8.043 1.00 2.15 C ATOM 1419 OD1 ASP A 92 -0.170 11.774 -8.538 1.00 2.41 O ATOM 1420 OD2 ASP A 92 1.567 10.507 -8.681 1.00 2.68 O ATOM 0 H ASP A 92 0.247 10.797 -4.134 1.00 0.90 H new ATOM 0 HA ASP A 92 0.316 12.968 -6.168 1.00 1.27 H new ATOM 0 HB2 ASP A 92 1.666 10.766 -6.138 1.00 1.93 H new ATOM 0 HB3 ASP A 92 0.152 9.898 -6.298 1.00 1.93 H new ATOM 1425 N THR A 93 -2.337 11.112 -5.661 1.00 0.96 N ATOM 1426 CA THR A 93 -3.800 11.034 -5.979 1.00 1.33 C ATOM 1427 C THR A 93 -4.037 11.110 -7.493 1.00 1.26 C ATOM 1428 O THR A 93 -3.120 11.004 -8.282 1.00 1.90 O ATOM 1429 CB THR A 93 -4.439 12.236 -5.274 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.015 13.440 -5.902 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.032 12.250 -3.797 1.00 1.92 C ATOM 0 H THR A 93 -2.014 10.437 -4.968 1.00 0.96 H new ATOM 0 HA THR A 93 -4.231 10.091 -5.644 1.00 1.33 H new ATOM 0 HB THR A 93 -5.524 12.157 -5.343 1.00 1.74 H new ATOM 0 HG1 THR A 93 -3.433 13.226 -6.661 1.00 2.10 H new ATOM 0 HG21 THR A 93 -4.489 13.107 -3.302 1.00 1.92 H new ATOM 0 HG22 THR A 93 -4.369 11.331 -3.318 1.00 1.92 H new ATOM 0 HG23 THR A 93 -2.947 12.322 -3.719 1.00 1.92 H new ATOM 1439 N ALA A 94 -5.269 11.292 -7.903 1.00 1.18 N ATOM 1440 CA ALA A 94 -5.603 11.379 -9.366 1.00 1.18 C ATOM 1441 C ALA A 94 -5.403 10.024 -10.043 1.00 1.14 C ATOM 1442 O ALA A 94 -6.317 9.459 -10.611 1.00 1.48 O ATOM 1443 CB ALA A 94 -4.652 12.425 -9.960 1.00 1.24 C ATOM 0 H ALA A 94 -6.071 11.386 -7.279 1.00 1.18 H new ATOM 0 HA ALA A 94 -6.645 11.660 -9.519 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -4.849 12.532 -11.027 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -4.809 13.383 -9.464 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -3.621 12.105 -9.812 1.00 1.24 H new ATOM 1449 N SER A 95 -4.216 9.500 -9.988 1.00 1.20 N ATOM 1450 CA SER A 95 -3.949 8.181 -10.629 1.00 1.22 C ATOM 1451 C SER A 95 -2.676 7.556 -10.042 1.00 0.98 C ATOM 1452 O SER A 95 -1.582 7.893 -10.447 1.00 0.98 O ATOM 1453 CB SER A 95 -3.757 8.495 -12.113 1.00 1.48 C ATOM 1454 OG SER A 95 -5.022 8.536 -12.756 1.00 2.01 O ATOM 0 H SER A 95 -3.413 9.927 -9.526 1.00 1.20 H new ATOM 0 HA SER A 95 -4.758 7.469 -10.464 1.00 1.22 H new ATOM 0 HB2 SER A 95 -3.246 9.451 -12.230 1.00 1.48 H new ATOM 0 HB3 SER A 95 -3.126 7.737 -12.577 1.00 1.48 H new ATOM 0 HG SER A 95 -5.729 8.611 -12.082 1.00 2.01 H new ATOM 1460 N PRO A 96 -2.860 6.665 -9.097 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.701 5.999 -8.454 1.00 0.72 C ATOM 1462 C PRO A 96 -1.081 4.964 -9.399 1.00 0.65 C ATOM 1463 O PRO A 96 -1.711 4.505 -10.331 1.00 0.79 O ATOM 1464 CB PRO A 96 -2.308 5.319 -7.231 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.749 5.108 -7.580 1.00 0.97 C ATOM 1466 CD PRO A 96 -4.141 6.201 -8.540 1.00 1.02 C ATOM 0 HA PRO A 96 -0.901 6.693 -8.198 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.811 4.373 -7.018 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.204 5.941 -6.342 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.895 4.128 -8.033 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.370 5.141 -6.685 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -4.803 5.827 -9.321 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -4.670 7.007 -8.032 1.00 1.02 H new ATOM 1474 N LYS A 97 0.147 4.593 -9.161 1.00 0.55 N ATOM 1475 CA LYS A 97 0.808 3.584 -10.041 1.00 0.57 C ATOM 1476 C LYS A 97 0.376 2.173 -9.639 1.00 0.53 C ATOM 1477 O LYS A 97 -0.319 1.981 -8.661 1.00 0.89 O ATOM 1478 CB LYS A 97 2.307 3.777 -9.806 1.00 0.68 C ATOM 1479 CG LYS A 97 2.857 4.786 -10.817 1.00 0.85 C ATOM 1480 CD LYS A 97 3.081 4.092 -12.163 1.00 1.63 C ATOM 1481 CE LYS A 97 3.785 5.053 -13.123 1.00 2.05 C ATOM 1482 NZ LYS A 97 4.073 4.238 -14.337 1.00 2.61 N ATOM 0 H LYS A 97 0.723 4.944 -8.396 1.00 0.55 H new ATOM 0 HA LYS A 97 0.542 3.710 -11.091 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.484 4.131 -8.790 1.00 0.68 H new ATOM 0 HB3 LYS A 97 2.827 2.825 -9.907 1.00 0.68 H new ATOM 0 HG2 LYS A 97 2.159 5.615 -10.935 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.794 5.207 -10.453 1.00 0.85 H new ATOM 0 HD2 LYS A 97 3.683 3.194 -12.025 1.00 1.63 H new ATOM 0 HD3 LYS A 97 2.127 3.775 -12.584 1.00 1.63 H new ATOM 0 HE2 LYS A 97 3.152 5.908 -13.362 1.00 2.05 H new ATOM 0 HE3 LYS A 97 4.702 5.448 -12.685 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 4.557 4.828 -15.044 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 4.683 3.436 -14.080 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 3.181 3.881 -14.735 1.00 2.61 H new ATOM 1496 N GLU A 98 0.781 1.184 -10.386 1.00 0.51 N ATOM 1497 CA GLU A 98 0.389 -0.214 -10.045 1.00 0.48 C ATOM 1498 C GLU A 98 1.627 -1.047 -9.699 1.00 0.45 C ATOM 1499 O GLU A 98 2.702 -0.826 -10.220 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.284 -0.753 -11.308 1.00 0.61 C ATOM 1501 CG GLU A 98 0.703 -0.705 -12.474 1.00 1.33 C ATOM 1502 CD GLU A 98 0.191 -1.592 -13.612 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -0.347 -2.647 -13.318 1.00 2.61 O ATOM 1504 OE2 GLU A 98 0.347 -1.200 -14.757 1.00 2.79 O ATOM 0 H GLU A 98 1.365 1.282 -11.216 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.271 -0.257 -9.178 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.620 -1.777 -11.145 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.169 -0.161 -11.542 1.00 0.61 H new ATOM 0 HG2 GLU A 98 0.821 0.321 -12.823 1.00 1.33 H new ATOM 0 HG3 GLU A 98 1.686 -1.045 -12.147 1.00 1.33 H new ATOM 1511 N TYR A 99 1.481 -2.004 -8.824 1.00 0.45 N ATOM 1512 CA TYR A 99 2.645 -2.854 -8.442 1.00 0.46 C ATOM 1513 C TYR A 99 2.555 -4.210 -9.154 1.00 0.53 C ATOM 1514 O TYR A 99 1.502 -4.812 -9.237 1.00 0.67 O ATOM 1515 CB TYR A 99 2.528 -3.013 -6.918 1.00 0.52 C ATOM 1516 CG TYR A 99 3.439 -4.122 -6.429 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.811 -4.067 -6.703 1.00 1.20 C ATOM 1518 CD2 TYR A 99 2.914 -5.197 -5.700 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.658 -5.084 -6.251 1.00 1.49 C ATOM 1520 CE2 TYR A 99 3.763 -6.216 -5.246 1.00 2.05 C ATOM 1521 CZ TYR A 99 5.110 -6.183 -5.533 1.00 1.70 C ATOM 1522 OH TYR A 99 5.972 -7.160 -5.074 1.00 2.27 O ATOM 0 H TYR A 99 0.604 -2.235 -8.356 1.00 0.45 H new ATOM 0 HA TYR A 99 3.603 -2.418 -8.726 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.790 -2.076 -6.427 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.496 -3.236 -6.648 1.00 0.52 H new ATOM 0 HD1 TYR A 99 5.216 -3.238 -7.264 1.00 1.20 H new ATOM 0 HD2 TYR A 99 1.856 -5.241 -5.488 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.719 -5.035 -6.445 1.00 1.49 H new ATOM 0 HE2 TYR A 99 3.358 -7.033 -4.667 1.00 2.05 H new ATOM 0 HH TYR A 99 6.785 -7.162 -5.621 1.00 2.27 H new ATOM 1532 N THR A 100 3.655 -4.697 -9.658 1.00 0.60 N ATOM 1533 CA THR A 100 3.640 -6.015 -10.353 1.00 0.72 C ATOM 1534 C THR A 100 4.103 -7.112 -9.393 1.00 0.83 C ATOM 1535 O THR A 100 4.142 -6.921 -8.194 1.00 1.71 O ATOM 1536 CB THR A 100 4.624 -5.866 -11.515 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.934 -5.668 -10.999 1.00 1.36 O ATOM 1538 CG2 THR A 100 4.224 -4.668 -12.376 1.00 1.13 C ATOM 0 H THR A 100 4.565 -4.238 -9.619 1.00 0.60 H new ATOM 0 HA THR A 100 2.645 -6.291 -10.701 1.00 0.72 H new ATOM 0 HB THR A 100 4.606 -6.768 -12.126 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.071 -4.716 -10.810 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.926 -4.564 -13.203 1.00 1.13 H new ATOM 0 HG22 THR A 100 3.220 -4.822 -12.770 1.00 1.13 H new ATOM 0 HG23 THR A 100 4.241 -3.762 -11.770 1.00 1.13 H new ATOM 1546 N ALA A 101 4.456 -8.259 -9.905 1.00 0.83 N ATOM 1547 CA ALA A 101 4.919 -9.363 -9.012 1.00 1.01 C ATOM 1548 C ALA A 101 3.904 -9.599 -7.886 1.00 1.36 C ATOM 1549 O ALA A 101 2.715 -9.432 -8.069 1.00 1.98 O ATOM 1550 CB ALA A 101 6.252 -8.871 -8.446 1.00 0.87 C ATOM 0 H ALA A 101 4.445 -8.481 -10.901 1.00 0.83 H new ATOM 0 HA ALA A 101 5.024 -10.310 -9.541 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.664 -9.626 -7.776 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.950 -8.692 -9.263 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.093 -7.944 -7.895 1.00 0.87 H new ATOM 1556 N GLY A 102 4.361 -9.984 -6.724 1.00 1.17 N ATOM 1557 CA GLY A 102 3.416 -10.228 -5.598 1.00 1.71 C ATOM 1558 C GLY A 102 3.617 -11.645 -5.066 1.00 1.08 C ATOM 1559 O GLY A 102 2.718 -12.461 -5.082 1.00 1.27 O ATOM 0 H GLY A 102 5.345 -10.139 -6.507 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.585 -9.502 -4.803 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.388 -10.097 -5.936 1.00 1.71 H new ATOM 1563 N ARG A 103 4.796 -11.943 -4.597 1.00 0.90 N ATOM 1564 CA ARG A 103 5.066 -13.308 -4.065 1.00 1.11 C ATOM 1565 C ARG A 103 5.514 -13.232 -2.603 1.00 0.94 C ATOM 1566 O ARG A 103 5.279 -14.135 -1.824 1.00 1.04 O ATOM 1567 CB ARG A 103 6.192 -13.858 -4.942 1.00 1.71 C ATOM 1568 CG ARG A 103 5.807 -15.245 -5.459 1.00 2.44 C ATOM 1569 CD ARG A 103 6.967 -15.829 -6.269 1.00 3.16 C ATOM 1570 NE ARG A 103 6.961 -17.285 -5.954 1.00 3.73 N ATOM 1571 CZ ARG A 103 7.437 -17.710 -4.815 1.00 4.34 C ATOM 1572 NH1 ARG A 103 8.678 -17.466 -4.494 1.00 4.81 N ATOM 1573 NH2 ARG A 103 6.671 -18.377 -3.995 1.00 4.84 N ATOM 0 H ARG A 103 5.586 -11.299 -4.559 1.00 0.90 H new ATOM 0 HA ARG A 103 4.180 -13.942 -4.091 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.377 -13.185 -5.779 1.00 1.71 H new ATOM 0 HB3 ARG A 103 7.118 -13.916 -4.369 1.00 1.71 H new ATOM 0 HG2 ARG A 103 5.566 -15.902 -4.623 1.00 2.44 H new ATOM 0 HG3 ARG A 103 4.914 -15.178 -6.080 1.00 2.44 H new ATOM 0 HD2 ARG A 103 6.830 -15.655 -7.336 1.00 3.16 H new ATOM 0 HD3 ARG A 103 7.915 -15.368 -5.990 1.00 3.16 H new ATOM 0 HE ARG A 103 6.585 -17.951 -6.629 1.00 3.73 H new ATOM 0 HH11 ARG A 103 9.277 -16.943 -5.133 1.00 4.81 H new ATOM 0 HH12 ARG A 103 9.049 -17.798 -3.604 1.00 4.81 H new ATOM 0 HH21 ARG A 103 5.700 -18.566 -4.244 1.00 4.84 H new ATOM 0 HH22 ARG A 103 7.043 -18.709 -3.105 1.00 4.84 H new ATOM 1587 N GLU A 104 6.160 -12.164 -2.225 1.00 0.75 N ATOM 1588 CA GLU A 104 6.625 -12.036 -0.814 1.00 0.66 C ATOM 1589 C GLU A 104 7.119 -10.612 -0.542 1.00 0.56 C ATOM 1590 O GLU A 104 7.356 -9.843 -1.454 1.00 0.57 O ATOM 1591 CB GLU A 104 7.775 -13.037 -0.687 1.00 0.79 C ATOM 1592 CG GLU A 104 8.833 -12.738 -1.753 1.00 1.59 C ATOM 1593 CD GLU A 104 9.816 -13.908 -1.847 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.804 -14.742 -0.956 1.00 2.04 O ATOM 1595 OE2 GLU A 104 10.566 -13.949 -2.808 1.00 2.51 O ATOM 0 H GLU A 104 6.386 -11.375 -2.831 1.00 0.75 H new ATOM 0 HA GLU A 104 5.828 -12.234 -0.097 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.217 -12.974 0.307 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.401 -14.054 -0.806 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.354 -12.574 -2.718 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.367 -11.821 -1.502 1.00 1.59 H new ATOM 1602 N ALA A 105 7.269 -10.252 0.707 1.00 0.50 N ATOM 1603 CA ALA A 105 7.744 -8.875 1.051 1.00 0.44 C ATOM 1604 C ALA A 105 8.949 -8.473 0.192 1.00 0.45 C ATOM 1605 O ALA A 105 9.144 -7.313 -0.113 1.00 0.47 O ATOM 1606 CB ALA A 105 8.153 -8.957 2.521 1.00 0.47 C ATOM 0 H ALA A 105 7.082 -10.855 1.508 1.00 0.50 H new ATOM 0 HA ALA A 105 6.971 -8.128 0.870 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.515 -7.984 2.853 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.292 -9.248 3.123 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.944 -9.697 2.638 1.00 0.47 H new ATOM 1612 N ASP A 106 9.765 -9.417 -0.191 1.00 0.51 N ATOM 1613 CA ASP A 106 10.959 -9.076 -1.018 1.00 0.56 C ATOM 1614 C ASP A 106 10.537 -8.613 -2.415 1.00 0.54 C ATOM 1615 O ASP A 106 11.211 -7.822 -3.043 1.00 0.64 O ATOM 1616 CB ASP A 106 11.767 -10.372 -1.103 1.00 0.67 C ATOM 1617 CG ASP A 106 11.184 -11.267 -2.199 1.00 1.18 C ATOM 1618 OD1 ASP A 106 10.633 -10.729 -3.144 1.00 2.02 O ATOM 1619 OD2 ASP A 106 11.299 -12.474 -2.071 1.00 1.82 O ATOM 0 H ASP A 106 9.658 -10.407 0.032 1.00 0.51 H new ATOM 0 HA ASP A 106 11.536 -8.261 -0.582 1.00 0.56 H new ATOM 0 HB2 ASP A 106 12.812 -10.148 -1.319 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.744 -10.891 -0.145 1.00 0.67 H new ATOM 1624 N ASP A 107 9.431 -9.095 -2.906 1.00 0.50 N ATOM 1625 CA ASP A 107 8.980 -8.673 -4.264 1.00 0.52 C ATOM 1626 C ASP A 107 8.455 -7.236 -4.223 1.00 0.51 C ATOM 1627 O ASP A 107 8.477 -6.529 -5.211 1.00 0.63 O ATOM 1628 CB ASP A 107 7.857 -9.642 -4.634 1.00 0.55 C ATOM 1629 CG ASP A 107 8.436 -10.820 -5.420 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.482 -11.310 -5.027 1.00 1.41 O ATOM 1631 OD2 ASP A 107 7.825 -11.211 -6.400 1.00 1.39 O ATOM 0 H ASP A 107 8.821 -9.760 -2.430 1.00 0.50 H new ATOM 0 HA ASP A 107 9.791 -8.696 -4.991 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.361 -10.002 -3.732 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.102 -9.129 -5.230 1.00 0.55 H new ATOM 1636 N ILE A 108 7.979 -6.802 -3.089 1.00 0.46 N ATOM 1637 CA ILE A 108 7.446 -5.412 -2.988 1.00 0.52 C ATOM 1638 C ILE A 108 8.588 -4.412 -2.784 1.00 0.50 C ATOM 1639 O ILE A 108 8.613 -3.356 -3.385 1.00 0.52 O ATOM 1640 CB ILE A 108 6.527 -5.426 -1.767 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.405 -6.444 -1.987 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.921 -4.036 -1.567 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.471 -6.444 -0.775 1.00 0.68 C ATOM 0 H ILE A 108 7.935 -7.348 -2.228 1.00 0.46 H new ATOM 0 HA ILE A 108 6.920 -5.110 -3.894 1.00 0.52 H new ATOM 0 HB ILE A 108 7.102 -5.702 -0.883 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.847 -6.196 -2.890 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.826 -7.439 -2.135 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.266 -4.047 -0.696 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.719 -3.310 -1.412 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.346 -3.759 -2.451 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.672 -7.169 -0.931 1.00 0.68 H new ATOM 0 HD12 ILE A 108 5.035 -6.712 0.119 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.040 -5.451 -0.648 1.00 0.68 H new ATOM 1655 N VAL A 109 9.531 -4.730 -1.940 1.00 0.51 N ATOM 1656 CA VAL A 109 10.660 -3.786 -1.704 1.00 0.56 C ATOM 1657 C VAL A 109 11.422 -3.531 -3.007 1.00 0.51 C ATOM 1658 O VAL A 109 11.702 -2.404 -3.361 1.00 0.55 O ATOM 1659 CB VAL A 109 11.560 -4.483 -0.684 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.770 -3.596 -0.390 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.778 -4.721 0.609 1.00 0.86 C ATOM 0 H VAL A 109 9.569 -5.598 -1.406 1.00 0.51 H new ATOM 0 HA VAL A 109 10.314 -2.817 -1.345 1.00 0.56 H new ATOM 0 HB VAL A 109 11.895 -5.439 -1.086 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.415 -4.089 0.337 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.327 -3.424 -1.311 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.432 -2.642 0.014 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.420 -5.218 1.336 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.444 -3.765 1.013 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.912 -5.349 0.400 1.00 0.86 H new ATOM 1671 N ASN A 110 11.760 -4.568 -3.724 1.00 0.50 N ATOM 1672 CA ASN A 110 12.503 -4.381 -5.004 1.00 0.52 C ATOM 1673 C ASN A 110 11.759 -3.402 -5.912 1.00 0.50 C ATOM 1674 O ASN A 110 12.261 -2.352 -6.258 1.00 0.59 O ATOM 1675 CB ASN A 110 12.553 -5.770 -5.638 1.00 0.59 C ATOM 1676 CG ASN A 110 13.517 -6.657 -4.848 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.492 -6.180 -4.302 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.285 -7.939 -4.767 1.00 1.29 N ATOM 0 H ASN A 110 11.554 -5.537 -3.479 1.00 0.50 H new ATOM 0 HA ASN A 110 13.499 -3.969 -4.846 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.557 -6.214 -5.646 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.878 -5.696 -6.676 1.00 0.59 H new ATOM 0 HD21 ASN A 110 13.922 -8.541 -4.245 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.466 -8.339 -5.225 1.00 1.29 H new ATOM 1685 N TRP A 111 10.562 -3.740 -6.299 1.00 0.46 N ATOM 1686 CA TRP A 111 9.778 -2.833 -7.184 1.00 0.51 C ATOM 1687 C TRP A 111 9.543 -1.486 -6.492 1.00 0.55 C ATOM 1688 O TRP A 111 9.190 -0.509 -7.123 1.00 0.66 O ATOM 1689 CB TRP A 111 8.450 -3.556 -7.415 1.00 0.55 C ATOM 1690 CG TRP A 111 7.702 -2.884 -8.522 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.753 -3.243 -9.825 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.794 -1.748 -8.445 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.935 -2.398 -10.553 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.322 -1.461 -9.747 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.339 -0.947 -7.382 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.429 -0.414 -9.986 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.441 0.105 -7.619 1.00 1.07 C ATOM 1698 CH2 TRP A 111 4.987 0.372 -8.918 1.00 1.14 C ATOM 0 H TRP A 111 10.091 -4.607 -6.041 1.00 0.46 H new ATOM 0 HA TRP A 111 10.296 -2.621 -8.119 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.632 -4.601 -7.666 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.855 -3.547 -6.502 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.337 -4.056 -10.231 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.801 -2.460 -11.562 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.683 -1.143 -6.377 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.082 -0.213 -10.989 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.097 0.713 -6.795 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.297 1.184 -9.093 1.00 1.14 H new ATOM 1709 N LEU A 112 9.736 -1.422 -5.201 1.00 0.55 N ATOM 1710 CA LEU A 112 9.521 -0.139 -4.478 1.00 0.65 C ATOM 1711 C LEU A 112 10.838 0.649 -4.408 1.00 0.65 C ATOM 1712 O LEU A 112 10.859 1.852 -4.574 1.00 0.75 O ATOM 1713 CB LEU A 112 9.050 -0.563 -3.081 1.00 0.74 C ATOM 1714 CG LEU A 112 9.056 0.640 -2.135 1.00 0.86 C ATOM 1715 CD1 LEU A 112 8.015 0.430 -1.034 1.00 1.10 C ATOM 1716 CD2 LEU A 112 10.445 0.776 -1.508 1.00 1.49 C ATOM 0 H LEU A 112 10.033 -2.204 -4.618 1.00 0.55 H new ATOM 0 HA LEU A 112 8.797 0.513 -4.968 1.00 0.65 H new ATOM 0 HB2 LEU A 112 8.046 -0.984 -3.140 1.00 0.74 H new ATOM 0 HB3 LEU A 112 9.702 -1.345 -2.691 1.00 0.74 H new ATOM 0 HG LEU A 112 8.813 1.546 -2.690 1.00 0.86 H new ATOM 0 HD11 LEU A 112 8.020 1.287 -0.361 1.00 1.10 H new ATOM 0 HD12 LEU A 112 7.027 0.326 -1.482 1.00 1.10 H new ATOM 0 HD13 LEU A 112 8.256 -0.473 -0.473 1.00 1.10 H new ATOM 0 HD21 LEU A 112 10.457 1.631 -0.832 1.00 1.49 H new ATOM 0 HD22 LEU A 112 10.683 -0.130 -0.951 1.00 1.49 H new ATOM 0 HD23 LEU A 112 11.186 0.924 -2.294 1.00 1.49 H new ATOM 1728 N LYS A 113 11.933 -0.019 -4.162 1.00 0.62 N ATOM 1729 CA LYS A 113 13.239 0.699 -4.083 1.00 0.70 C ATOM 1730 C LYS A 113 13.925 0.728 -5.455 1.00 0.75 C ATOM 1731 O LYS A 113 15.109 0.977 -5.561 1.00 1.01 O ATOM 1732 CB LYS A 113 14.074 -0.093 -3.068 1.00 0.79 C ATOM 1733 CG LYS A 113 14.436 -1.469 -3.636 1.00 1.42 C ATOM 1734 CD LYS A 113 14.697 -2.442 -2.485 1.00 1.84 C ATOM 1735 CE LYS A 113 16.204 -2.643 -2.314 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.481 -3.987 -2.896 1.00 2.86 N ATOM 0 H LYS A 113 11.980 -1.027 -4.013 1.00 0.62 H new ATOM 0 HA LYS A 113 13.116 1.739 -3.779 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.982 0.458 -2.825 1.00 0.79 H new ATOM 0 HB3 LYS A 113 13.515 -0.211 -2.140 1.00 0.79 H new ATOM 0 HG2 LYS A 113 13.626 -1.840 -4.264 1.00 1.42 H new ATOM 0 HG3 LYS A 113 15.320 -1.392 -4.269 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.265 -2.054 -1.563 1.00 1.84 H new ATOM 0 HD3 LYS A 113 14.213 -3.398 -2.687 1.00 1.84 H new ATOM 0 HE2 LYS A 113 16.767 -1.865 -2.830 1.00 2.39 H new ATOM 0 HE3 LYS A 113 16.491 -2.601 -1.263 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.496 -4.197 -2.816 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 15.936 -4.708 -2.380 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.204 -3.995 -3.898 1.00 2.86 H new ATOM 1750 N LYS A 114 13.193 0.476 -6.506 1.00 0.71 N ATOM 1751 CA LYS A 114 13.810 0.491 -7.865 1.00 0.89 C ATOM 1752 C LYS A 114 14.137 1.927 -8.281 1.00 1.07 C ATOM 1753 O LYS A 114 15.182 2.201 -8.837 1.00 1.31 O ATOM 1754 CB LYS A 114 12.749 -0.109 -8.789 1.00 0.92 C ATOM 1755 CG LYS A 114 13.420 -0.652 -10.052 1.00 1.45 C ATOM 1756 CD LYS A 114 12.382 -0.776 -11.169 1.00 1.77 C ATOM 1757 CE LYS A 114 11.760 -2.174 -11.135 1.00 2.49 C ATOM 1758 NZ LYS A 114 10.501 -2.057 -11.921 1.00 3.00 N ATOM 0 H LYS A 114 12.196 0.261 -6.484 1.00 0.71 H new ATOM 0 HA LYS A 114 14.744 -0.069 -7.901 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.215 -0.909 -8.276 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.011 0.649 -9.053 1.00 0.92 H new ATOM 0 HG2 LYS A 114 14.226 0.013 -10.363 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.869 -1.624 -9.849 1.00 1.45 H new ATOM 0 HD2 LYS A 114 11.608 -0.019 -11.046 1.00 1.77 H new ATOM 0 HD3 LYS A 114 12.851 -0.598 -12.137 1.00 1.77 H new ATOM 0 HE2 LYS A 114 12.430 -2.914 -11.572 1.00 2.49 H new ATOM 0 HE3 LYS A 114 11.558 -2.491 -10.112 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 9.695 -2.347 -11.331 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 10.371 -1.070 -12.223 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 10.556 -2.671 -12.758 1.00 3.00 H new ATOM 1772 N ARG A 115 13.249 2.847 -8.017 1.00 1.09 N ATOM 1773 CA ARG A 115 13.507 4.267 -8.398 1.00 1.40 C ATOM 1774 C ARG A 115 14.482 4.918 -7.409 1.00 1.25 C ATOM 1775 O ARG A 115 15.069 5.944 -7.691 1.00 1.55 O ATOM 1776 CB ARG A 115 12.141 4.949 -8.332 1.00 1.86 C ATOM 1777 CG ARG A 115 11.227 4.367 -9.411 1.00 2.43 C ATOM 1778 CD ARG A 115 9.945 5.197 -9.502 1.00 2.92 C ATOM 1779 NE ARG A 115 8.932 4.273 -10.083 1.00 3.45 N ATOM 1780 CZ ARG A 115 7.723 4.700 -10.330 1.00 3.99 C ATOM 1781 NH1 ARG A 115 7.193 5.628 -9.580 1.00 4.52 N ATOM 1782 NH2 ARG A 115 7.045 4.199 -11.325 1.00 4.34 N ATOM 0 H ARG A 115 12.356 2.678 -7.554 1.00 1.09 H new ATOM 0 HA ARG A 115 13.959 4.351 -9.386 1.00 1.40 H new ATOM 0 HB2 ARG A 115 11.697 4.803 -7.347 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.252 6.024 -8.476 1.00 1.86 H new ATOM 0 HG2 ARG A 115 11.739 4.365 -10.373 1.00 2.43 H new ATOM 0 HG3 ARG A 115 10.985 3.330 -9.176 1.00 2.43 H new ATOM 0 HD2 ARG A 115 9.636 5.556 -8.520 1.00 2.92 H new ATOM 0 HD3 ARG A 115 10.087 6.075 -10.132 1.00 2.92 H new ATOM 0 HE ARG A 115 9.183 3.306 -10.288 1.00 3.45 H new ATOM 0 HH11 ARG A 115 7.723 6.019 -8.801 1.00 4.52 H new ATOM 0 HH12 ARG A 115 6.249 5.962 -9.773 1.00 4.52 H new ATOM 0 HH21 ARG A 115 7.459 3.474 -11.910 1.00 4.34 H new ATOM 0 HH22 ARG A 115 6.101 4.533 -11.518 1.00 4.34 H new