USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 855 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 75 LYS NZ :NH3+ -169:sc= 1.23 (180deg=-0.132) USER MOD Set 1.2: A 103 ASN : amide:sc= 0.945 K(o=2.2,f=-12!) USER MOD Set 2.1: A 30 ASN : amide:sc= 0.818! C(o=2.5!,f=-2.2!) USER MOD Set 2.2: A 81 THR OG1 : rot 152:sc= 1.72 USER MOD Single : A 29 SER OG : rot 44:sc= 0.0365 USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= -1.65! (180deg=-3.37!) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0.697 (180deg=0.603) USER MOD Single : A 40 LYS NZ :NH3+ -141:sc= -0.0223 (180deg=-0.146) USER MOD Single : A 41 MET CE :methyl -151:sc= -0.148 (180deg=-1.27) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= -2.11! (180deg=-3.2!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.0774 X(o=0.077,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= -0.0292 (180deg=-0.265) USER MOD Single : A 83 SER OG : rot 49:sc= 0.0511 USER MOD Single : A 89 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0519) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.07) USER MOD Single : A 93 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.976) USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= -0.0748 (180deg=-0.401) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -35:sc= 0.0694 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.06) USER MOD Single : A 120 LYS NZ :NH3+ -157:sc= 1.2 (180deg=0.918) USER MOD Single : A 123 SER OG : rot 73:sc= 0.388 USER MOD ----------------------------------------------------------------- ATOM 17 N ARG A 22 3.687 -13.570 0.916 1.00 0.88 N ATOM 18 CA ARG A 22 3.967 -12.618 -0.148 1.00 0.73 C ATOM 19 C ARG A 22 3.534 -11.224 0.285 1.00 0.55 C ATOM 20 O ARG A 22 2.494 -11.062 0.926 1.00 0.56 O ATOM 21 CB ARG A 22 3.240 -13.008 -1.438 1.00 0.86 C ATOM 22 CG ARG A 22 3.520 -14.427 -1.907 1.00 1.33 C ATOM 23 CD ARG A 22 2.827 -14.719 -3.227 1.00 1.33 C ATOM 24 NE ARG A 22 2.955 -16.122 -3.622 1.00 1.91 N ATOM 25 CZ ARG A 22 2.923 -16.550 -4.884 1.00 2.43 C ATOM 26 NH1 ARG A 22 2.837 -15.685 -5.886 1.00 2.62 N ATOM 27 NH2 ARG A 22 2.997 -17.848 -5.145 1.00 3.31 N ATOM 0 HA ARG A 22 5.039 -12.625 -0.343 1.00 0.73 H new ATOM 0 HB2 ARG A 22 2.167 -12.893 -1.286 1.00 0.86 H new ATOM 0 HB3 ARG A 22 3.527 -12.313 -2.227 1.00 0.86 H new ATOM 0 HG2 ARG A 22 4.595 -14.570 -2.019 1.00 1.33 H new ATOM 0 HG3 ARG A 22 3.181 -15.136 -1.151 1.00 1.33 H new ATOM 0 HD2 ARG A 22 1.771 -14.462 -3.145 1.00 1.33 H new ATOM 0 HD3 ARG A 22 3.250 -14.084 -4.006 1.00 1.33 H new ATOM 0 HE ARG A 22 3.076 -16.817 -2.885 1.00 1.91 H new ATOM 0 HH11 ARG A 22 2.795 -14.684 -5.694 1.00 2.62 H new ATOM 0 HH12 ARG A 22 2.813 -16.021 -6.849 1.00 2.62 H new ATOM 0 HH21 ARG A 22 3.078 -18.518 -4.380 1.00 3.31 H new ATOM 0 HH22 ARG A 22 2.973 -18.176 -6.110 1.00 3.31 H new ATOM 41 N LEU A 23 4.331 -10.226 -0.045 1.00 0.51 N ATOM 42 CA LEU A 23 4.014 -8.858 0.324 1.00 0.43 C ATOM 43 C LEU A 23 3.824 -7.995 -0.913 1.00 0.37 C ATOM 44 O LEU A 23 4.754 -7.787 -1.696 1.00 0.40 O ATOM 45 CB LEU A 23 5.111 -8.268 1.210 1.00 0.58 C ATOM 46 CG LEU A 23 5.225 -8.871 2.614 1.00 1.05 C ATOM 47 CD1 LEU A 23 6.347 -8.198 3.388 1.00 1.76 C ATOM 48 CD2 LEU A 23 3.908 -8.739 3.364 1.00 1.55 C ATOM 0 H LEU A 23 5.201 -10.335 -0.567 1.00 0.51 H new ATOM 0 HA LEU A 23 3.080 -8.871 0.886 1.00 0.43 H new ATOM 0 HB2 LEU A 23 6.068 -8.391 0.703 1.00 0.58 H new ATOM 0 HB3 LEU A 23 4.937 -7.196 1.307 1.00 0.58 H new ATOM 0 HG LEU A 23 5.457 -9.931 2.515 1.00 1.05 H new ATOM 0 HD11 LEU A 23 6.416 -8.637 4.383 1.00 1.76 H new ATOM 0 HD12 LEU A 23 7.290 -8.343 2.861 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.140 -7.131 3.475 1.00 1.76 H new ATOM 0 HD21 LEU A 23 4.011 -9.173 4.358 1.00 1.55 H new ATOM 0 HD22 LEU A 23 3.644 -7.685 3.454 1.00 1.55 H new ATOM 0 HD23 LEU A 23 3.124 -9.264 2.818 1.00 1.55 H new ATOM 60 N VAL A 24 2.609 -7.509 -1.085 1.00 0.35 N ATOM 61 CA VAL A 24 2.285 -6.631 -2.194 1.00 0.37 C ATOM 62 C VAL A 24 2.082 -5.221 -1.671 1.00 0.38 C ATOM 63 O VAL A 24 1.422 -5.026 -0.659 1.00 0.42 O ATOM 64 CB VAL A 24 1.015 -7.099 -2.935 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.690 -6.168 -4.094 1.00 0.46 C ATOM 66 CG2 VAL A 24 1.183 -8.528 -3.427 1.00 0.45 C ATOM 0 H VAL A 24 1.824 -7.710 -0.465 1.00 0.35 H new ATOM 0 HA VAL A 24 3.112 -6.654 -2.903 1.00 0.37 H new ATOM 0 HB VAL A 24 0.181 -7.070 -2.234 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.209 -6.518 -4.601 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.523 -5.160 -3.715 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.523 -6.158 -4.797 1.00 0.46 H new ATOM 0 HG21 VAL A 24 0.278 -8.842 -3.947 1.00 0.45 H new ATOM 0 HG22 VAL A 24 2.031 -8.580 -4.110 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.360 -9.187 -2.577 1.00 0.45 H new ATOM 76 N VAL A 25 2.661 -4.247 -2.344 1.00 0.39 N ATOM 77 CA VAL A 25 2.623 -2.876 -1.876 1.00 0.41 C ATOM 78 C VAL A 25 2.076 -1.950 -2.960 1.00 0.39 C ATOM 79 O VAL A 25 2.723 -1.725 -3.983 1.00 0.42 O ATOM 80 CB VAL A 25 4.031 -2.399 -1.453 1.00 0.46 C ATOM 81 CG1 VAL A 25 3.948 -1.079 -0.713 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.732 -3.446 -0.599 1.00 0.52 C ATOM 0 H VAL A 25 3.165 -4.380 -3.220 1.00 0.39 H new ATOM 0 HA VAL A 25 1.962 -2.841 -1.010 1.00 0.41 H new ATOM 0 HB VAL A 25 4.620 -2.253 -2.358 1.00 0.46 H new ATOM 0 HG11 VAL A 25 4.949 -0.760 -0.424 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.501 -0.326 -1.362 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.334 -1.200 0.179 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.720 -3.083 -0.316 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.144 -3.636 0.299 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.834 -4.370 -1.168 1.00 0.52 H new ATOM 92 N LEU A 26 0.877 -1.429 -2.738 1.00 0.40 N ATOM 93 CA LEU A 26 0.267 -0.477 -3.657 1.00 0.38 C ATOM 94 C LEU A 26 0.301 0.914 -3.049 1.00 0.37 C ATOM 95 O LEU A 26 -0.176 1.132 -1.936 1.00 0.48 O ATOM 96 CB LEU A 26 -1.172 -0.884 -3.998 1.00 0.46 C ATOM 97 CG LEU A 26 -1.295 -2.057 -4.969 1.00 0.56 C ATOM 98 CD1 LEU A 26 -2.305 -3.072 -4.465 1.00 1.15 C ATOM 99 CD2 LEU A 26 -1.702 -1.551 -6.339 1.00 1.33 C ATOM 0 H LEU A 26 0.304 -1.651 -1.924 1.00 0.40 H new ATOM 0 HA LEU A 26 0.838 -0.474 -4.586 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.690 -1.140 -3.074 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.687 -0.023 -4.424 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.325 -2.549 -5.042 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -2.375 -3.898 -5.173 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -1.986 -3.452 -3.495 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -3.280 -2.596 -4.365 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -1.788 -2.392 -7.027 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -2.663 -1.041 -6.268 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -0.948 -0.856 -6.709 1.00 1.33 H new ATOM 111 N ILE A 27 0.878 1.852 -3.777 1.00 0.33 N ATOM 112 CA ILE A 27 1.090 3.191 -3.251 1.00 0.36 C ATOM 113 C ILE A 27 0.333 4.236 -4.070 1.00 0.39 C ATOM 114 O ILE A 27 0.254 4.145 -5.298 1.00 0.40 O ATOM 115 CB ILE A 27 2.603 3.531 -3.202 1.00 0.44 C ATOM 116 CG1 ILE A 27 2.833 4.955 -2.679 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.242 3.354 -4.572 1.00 1.32 C ATOM 118 CD1 ILE A 27 4.295 5.323 -2.530 1.00 1.36 C ATOM 0 H ILE A 27 1.208 1.714 -4.732 1.00 0.33 H new ATOM 0 HA ILE A 27 0.698 3.212 -2.234 1.00 0.36 H new ATOM 0 HB ILE A 27 3.078 2.836 -2.509 1.00 0.44 H new ATOM 0 HG12 ILE A 27 2.357 5.663 -3.358 1.00 0.93 H new ATOM 0 HG13 ILE A 27 2.341 5.061 -1.712 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.303 3.598 -4.513 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.125 2.320 -4.897 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.757 4.017 -5.288 1.00 1.32 H new ATOM 0 HD11 ILE A 27 4.377 6.344 -2.156 1.00 1.36 H new ATOM 0 HD12 ILE A 27 4.772 4.640 -1.828 1.00 1.36 H new ATOM 0 HD13 ILE A 27 4.789 5.251 -3.499 1.00 1.36 H new ATOM 130 N VAL A 28 -0.245 5.207 -3.374 1.00 0.48 N ATOM 131 CA VAL A 28 -0.929 6.320 -4.015 1.00 0.56 C ATOM 132 C VAL A 28 0.075 7.445 -4.266 1.00 0.86 C ATOM 133 O VAL A 28 1.065 7.568 -3.546 1.00 1.37 O ATOM 134 CB VAL A 28 -2.099 6.835 -3.139 1.00 0.77 C ATOM 135 CG1 VAL A 28 -2.924 7.880 -3.878 1.00 1.12 C ATOM 136 CG2 VAL A 28 -2.986 5.680 -2.696 1.00 1.17 C ATOM 0 H VAL A 28 -0.252 5.244 -2.355 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.347 5.979 -4.962 1.00 0.56 H new ATOM 0 HB VAL A 28 -1.669 7.306 -2.255 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -3.737 8.222 -3.237 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -2.289 8.726 -4.140 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -3.338 7.441 -4.786 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -3.802 6.062 -2.082 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.396 5.179 -3.573 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.396 4.970 -2.115 1.00 1.17 H new ATOM 146 N SER A 29 -0.184 8.257 -5.285 1.00 0.85 N ATOM 147 CA SER A 29 0.773 9.252 -5.748 1.00 1.25 C ATOM 148 C SER A 29 1.151 10.260 -4.662 1.00 0.83 C ATOM 149 O SER A 29 0.319 11.035 -4.181 1.00 1.53 O ATOM 150 CB SER A 29 0.216 9.969 -6.974 1.00 2.38 C ATOM 151 OG SER A 29 -1.131 10.360 -6.766 1.00 3.23 O ATOM 0 H SER A 29 -1.058 8.244 -5.810 1.00 0.85 H new ATOM 0 HA SER A 29 1.689 8.725 -6.013 1.00 1.25 H new ATOM 0 HB2 SER A 29 0.823 10.847 -7.193 1.00 2.38 H new ATOM 0 HB3 SER A 29 0.278 9.313 -7.843 1.00 2.38 H new ATOM 0 HG SER A 29 -1.225 10.747 -5.870 1.00 3.23 H new ATOM 157 N ASN A 30 2.415 10.210 -4.286 1.00 1.19 N ATOM 158 CA ASN A 30 3.012 11.149 -3.351 1.00 1.67 C ATOM 159 C ASN A 30 4.319 11.632 -3.972 1.00 1.19 C ATOM 160 O ASN A 30 4.543 11.370 -5.156 1.00 1.38 O ATOM 161 CB ASN A 30 3.241 10.488 -1.982 1.00 2.93 C ATOM 162 CG ASN A 30 3.490 11.496 -0.869 1.00 3.86 C ATOM 163 OD1 ASN A 30 4.631 11.840 -0.564 1.00 4.32 O ATOM 164 ND2 ASN A 30 2.420 11.988 -0.263 1.00 4.58 N ATOM 0 H ASN A 30 3.068 9.504 -4.627 1.00 1.19 H new ATOM 0 HA ASN A 30 2.349 11.995 -3.173 1.00 1.67 H new ATOM 0 HB2 ASN A 30 2.372 9.882 -1.728 1.00 2.93 H new ATOM 0 HB3 ASN A 30 4.093 9.812 -2.049 1.00 2.93 H new ATOM 0 HD21 ASN A 30 2.527 12.675 0.483 1.00 4.58 H new ATOM 0 HD22 ASN A 30 1.489 11.680 -0.542 1.00 4.58 H new ATOM 171 N ASP A 31 5.143 12.359 -3.215 1.00 1.45 N ATOM 172 CA ASP A 31 6.425 12.874 -3.719 1.00 1.18 C ATOM 173 C ASP A 31 7.127 11.832 -4.590 1.00 0.94 C ATOM 174 O ASP A 31 7.267 10.669 -4.205 1.00 1.28 O ATOM 175 CB ASP A 31 7.337 13.268 -2.554 1.00 1.61 C ATOM 176 CG ASP A 31 8.623 13.930 -3.016 1.00 1.74 C ATOM 177 OD1 ASP A 31 9.552 13.215 -3.451 1.00 2.03 O ATOM 178 OD2 ASP A 31 8.719 15.174 -2.932 1.00 2.29 O ATOM 0 H ASP A 31 4.947 12.607 -2.245 1.00 1.45 H new ATOM 0 HA ASP A 31 6.217 13.755 -4.326 1.00 1.18 H new ATOM 0 HB2 ASP A 31 6.801 13.948 -1.892 1.00 1.61 H new ATOM 0 HB3 ASP A 31 7.579 12.380 -1.971 1.00 1.61 H new ATOM 183 N LYS A 32 7.548 12.270 -5.771 1.00 0.79 N ATOM 184 CA LYS A 32 8.064 11.377 -6.804 1.00 0.82 C ATOM 185 C LYS A 32 9.272 10.572 -6.335 1.00 0.66 C ATOM 186 O LYS A 32 9.487 9.454 -6.799 1.00 0.68 O ATOM 187 CB LYS A 32 8.413 12.172 -8.065 1.00 1.24 C ATOM 188 CG LYS A 32 9.423 13.288 -7.838 1.00 1.77 C ATOM 189 CD LYS A 32 9.689 14.090 -9.108 1.00 2.22 C ATOM 190 CE LYS A 32 8.604 15.129 -9.390 1.00 3.17 C ATOM 191 NZ LYS A 32 7.281 14.525 -9.701 1.00 3.77 N ATOM 0 H LYS A 32 7.542 13.254 -6.040 1.00 0.79 H new ATOM 0 HA LYS A 32 7.274 10.661 -7.031 1.00 0.82 H new ATOM 0 HB2 LYS A 32 8.807 11.487 -8.816 1.00 1.24 H new ATOM 0 HB3 LYS A 32 7.499 12.602 -8.475 1.00 1.24 H new ATOM 0 HG2 LYS A 32 9.055 13.956 -7.059 1.00 1.77 H new ATOM 0 HG3 LYS A 32 10.359 12.861 -7.477 1.00 1.77 H new ATOM 0 HD2 LYS A 32 10.652 14.592 -9.020 1.00 2.22 H new ATOM 0 HD3 LYS A 32 9.761 13.408 -9.955 1.00 2.22 H new ATOM 0 HE2 LYS A 32 8.503 15.783 -8.524 1.00 3.17 H new ATOM 0 HE3 LYS A 32 8.917 15.754 -10.227 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 6.763 15.143 -10.358 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 7.420 13.592 -10.140 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 6.734 14.416 -8.823 1.00 3.77 H new ATOM 205 N LYS A 33 10.050 11.124 -5.410 1.00 0.71 N ATOM 206 CA LYS A 33 11.215 10.420 -4.897 1.00 0.75 C ATOM 207 C LYS A 33 10.772 9.325 -3.940 1.00 0.68 C ATOM 208 O LYS A 33 11.392 8.271 -3.863 1.00 0.78 O ATOM 209 CB LYS A 33 12.174 11.376 -4.187 1.00 0.95 C ATOM 210 CG LYS A 33 13.504 10.737 -3.813 1.00 1.45 C ATOM 211 CD LYS A 33 14.377 11.692 -3.017 1.00 1.86 C ATOM 212 CE LYS A 33 15.785 11.144 -2.826 1.00 2.71 C ATOM 213 NZ LYS A 33 15.797 9.841 -2.110 1.00 3.23 N ATOM 0 H LYS A 33 9.896 12.047 -5.005 1.00 0.71 H new ATOM 0 HA LYS A 33 11.744 9.977 -5.741 1.00 0.75 H new ATOM 0 HB2 LYS A 33 12.361 12.235 -4.832 1.00 0.95 H new ATOM 0 HB3 LYS A 33 11.695 11.754 -3.284 1.00 0.95 H new ATOM 0 HG2 LYS A 33 13.324 9.835 -3.229 1.00 1.45 H new ATOM 0 HG3 LYS A 33 14.029 10.431 -4.718 1.00 1.45 H new ATOM 0 HD2 LYS A 33 14.427 12.652 -3.530 1.00 1.86 H new ATOM 0 HD3 LYS A 33 13.923 11.874 -2.043 1.00 1.86 H new ATOM 0 HE2 LYS A 33 16.260 11.024 -3.800 1.00 2.71 H new ATOM 0 HE3 LYS A 33 16.380 11.867 -2.268 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 16.779 9.561 -1.916 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 15.279 9.933 -1.213 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 15.341 9.116 -2.700 1.00 3.23 H new ATOM 227 N LEU A 34 9.679 9.579 -3.231 1.00 0.61 N ATOM 228 CA LEU A 34 9.139 8.616 -2.282 1.00 0.64 C ATOM 229 C LEU A 34 8.668 7.360 -3.000 1.00 0.53 C ATOM 230 O LEU A 34 8.891 6.245 -2.530 1.00 0.62 O ATOM 231 CB LEU A 34 7.980 9.224 -1.492 1.00 0.70 C ATOM 232 CG LEU A 34 7.302 8.261 -0.518 1.00 0.82 C ATOM 233 CD1 LEU A 34 8.299 7.754 0.507 1.00 1.39 C ATOM 234 CD2 LEU A 34 6.124 8.928 0.163 1.00 1.38 C ATOM 0 H LEU A 34 9.148 10.447 -3.296 1.00 0.61 H new ATOM 0 HA LEU A 34 9.936 8.349 -1.588 1.00 0.64 H new ATOM 0 HB2 LEU A 34 8.349 10.085 -0.934 1.00 0.70 H new ATOM 0 HB3 LEU A 34 7.234 9.596 -2.194 1.00 0.70 H new ATOM 0 HG LEU A 34 6.927 7.408 -1.083 1.00 0.82 H new ATOM 0 HD11 LEU A 34 7.800 7.070 1.193 1.00 1.39 H new ATOM 0 HD12 LEU A 34 9.109 7.231 -0.001 1.00 1.39 H new ATOM 0 HD13 LEU A 34 8.705 8.596 1.067 1.00 1.39 H new ATOM 0 HD21 LEU A 34 5.656 8.225 0.852 1.00 1.38 H new ATOM 0 HD22 LEU A 34 6.470 9.802 0.716 1.00 1.38 H new ATOM 0 HD23 LEU A 34 5.397 9.238 -0.588 1.00 1.38 H new ATOM 246 N ILE A 35 8.014 7.548 -4.141 1.00 0.43 N ATOM 247 CA ILE A 35 7.566 6.425 -4.957 1.00 0.43 C ATOM 248 C ILE A 35 8.767 5.587 -5.386 1.00 0.46 C ATOM 249 O ILE A 35 8.714 4.355 -5.396 1.00 0.52 O ATOM 250 CB ILE A 35 6.786 6.905 -6.201 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.567 7.729 -5.773 1.00 0.57 C ATOM 252 CG2 ILE A 35 6.356 5.719 -7.056 1.00 0.61 C ATOM 253 CD1 ILE A 35 4.758 8.271 -6.932 1.00 0.97 C ATOM 0 H ILE A 35 7.783 8.466 -4.521 1.00 0.43 H new ATOM 0 HA ILE A 35 6.892 5.817 -4.354 1.00 0.43 H new ATOM 0 HB ILE A 35 7.442 7.536 -6.801 1.00 0.47 H new ATOM 0 HG12 ILE A 35 4.922 7.109 -5.150 1.00 0.57 H new ATOM 0 HG13 ILE A 35 5.902 8.562 -5.155 1.00 0.57 H new ATOM 0 HG21 ILE A 35 5.808 6.078 -7.927 1.00 0.61 H new ATOM 0 HG22 ILE A 35 7.238 5.168 -7.384 1.00 0.61 H new ATOM 0 HG23 ILE A 35 5.714 5.061 -6.470 1.00 0.61 H new ATOM 0 HD11 ILE A 35 3.912 8.843 -6.550 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.387 8.918 -7.544 1.00 0.97 H new ATOM 0 HD13 ILE A 35 4.391 7.443 -7.539 1.00 0.97 H new ATOM 265 N GLU A 36 9.858 6.268 -5.712 1.00 0.51 N ATOM 266 CA GLU A 36 11.103 5.598 -6.052 1.00 0.62 C ATOM 267 C GLU A 36 11.677 4.890 -4.829 1.00 0.63 C ATOM 268 O GLU A 36 12.072 3.729 -4.913 1.00 0.64 O ATOM 269 CB GLU A 36 12.117 6.600 -6.602 1.00 0.79 C ATOM 270 CG GLU A 36 11.662 7.300 -7.871 1.00 0.87 C ATOM 271 CD GLU A 36 12.707 8.251 -8.413 1.00 1.64 C ATOM 272 OE1 GLU A 36 12.397 9.444 -8.617 1.00 2.22 O ATOM 273 OE2 GLU A 36 13.856 7.813 -8.628 1.00 2.42 O ATOM 0 H GLU A 36 9.904 7.286 -5.748 1.00 0.51 H new ATOM 0 HA GLU A 36 10.894 4.855 -6.822 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.323 7.350 -5.839 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.055 6.081 -6.801 1.00 0.79 H new ATOM 0 HG2 GLU A 36 11.426 6.554 -8.629 1.00 0.87 H new ATOM 0 HG3 GLU A 36 10.743 7.851 -7.669 1.00 0.87 H new ATOM 280 N GLU A 37 11.703 5.590 -3.694 1.00 0.68 N ATOM 281 CA GLU A 37 12.211 5.026 -2.446 1.00 0.77 C ATOM 282 C GLU A 37 11.445 3.765 -2.059 1.00 0.71 C ATOM 283 O GLU A 37 12.043 2.771 -1.642 1.00 0.79 O ATOM 284 CB GLU A 37 12.117 6.042 -1.305 1.00 0.91 C ATOM 285 CG GLU A 37 13.024 7.249 -1.471 1.00 1.41 C ATOM 286 CD GLU A 37 14.488 6.878 -1.553 1.00 1.84 C ATOM 287 OE1 GLU A 37 15.010 6.273 -0.591 1.00 2.30 O ATOM 288 OE2 GLU A 37 15.132 7.208 -2.568 1.00 2.53 O ATOM 0 H GLU A 37 11.376 6.553 -3.615 1.00 0.68 H new ATOM 0 HA GLU A 37 13.257 4.770 -2.612 1.00 0.77 H new ATOM 0 HB2 GLU A 37 11.086 6.385 -1.223 1.00 0.91 H new ATOM 0 HB3 GLU A 37 12.363 5.543 -0.368 1.00 0.91 H new ATOM 0 HG2 GLU A 37 12.740 7.789 -2.374 1.00 1.41 H new ATOM 0 HG3 GLU A 37 12.873 7.929 -0.632 1.00 1.41 H new ATOM 295 N ALA A 38 10.123 3.819 -2.191 1.00 0.61 N ATOM 296 CA ALA A 38 9.274 2.672 -1.900 1.00 0.60 C ATOM 297 C ALA A 38 9.649 1.482 -2.777 1.00 0.54 C ATOM 298 O ALA A 38 9.744 0.353 -2.298 1.00 0.59 O ATOM 299 CB ALA A 38 7.810 3.036 -2.097 1.00 0.60 C ATOM 0 H ALA A 38 9.616 4.649 -2.499 1.00 0.61 H new ATOM 0 HA ALA A 38 9.428 2.388 -0.859 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.187 2.169 -1.876 1.00 0.60 H new ATOM 0 HB2 ALA A 38 7.545 3.854 -1.427 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.648 3.346 -3.129 1.00 0.60 H new ATOM 305 N ARG A 39 9.876 1.747 -4.057 1.00 0.49 N ATOM 306 CA ARG A 39 10.249 0.702 -5.001 1.00 0.53 C ATOM 307 C ARG A 39 11.656 0.183 -4.710 1.00 0.56 C ATOM 308 O ARG A 39 11.932 -1.005 -4.874 1.00 0.59 O ATOM 309 CB ARG A 39 10.142 1.229 -6.435 1.00 0.60 C ATOM 310 CG ARG A 39 10.509 0.210 -7.504 1.00 0.88 C ATOM 311 CD ARG A 39 10.105 0.697 -8.887 1.00 0.95 C ATOM 312 NE ARG A 39 10.611 2.042 -9.164 1.00 1.37 N ATOM 313 CZ ARG A 39 9.842 3.068 -9.536 1.00 1.97 C ATOM 314 NH1 ARG A 39 8.530 2.904 -9.689 1.00 2.23 N ATOM 315 NH2 ARG A 39 10.386 4.259 -9.758 1.00 2.73 N ATOM 0 H ARG A 39 9.808 2.679 -4.466 1.00 0.49 H new ATOM 0 HA ARG A 39 9.559 -0.134 -4.888 1.00 0.53 H new ATOM 0 HB2 ARG A 39 9.122 1.570 -6.609 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.791 2.098 -6.540 1.00 0.60 H new ATOM 0 HG2 ARG A 39 11.583 0.024 -7.480 1.00 0.88 H new ATOM 0 HG3 ARG A 39 10.016 -0.739 -7.291 1.00 0.88 H new ATOM 0 HD2 ARG A 39 10.483 0.005 -9.640 1.00 0.95 H new ATOM 0 HD3 ARG A 39 9.018 0.694 -8.969 1.00 0.95 H new ATOM 0 HE ARG A 39 11.613 2.206 -9.067 1.00 1.37 H new ATOM 0 HH11 ARG A 39 8.107 1.991 -9.522 1.00 2.23 H new ATOM 0 HH12 ARG A 39 7.947 3.691 -9.973 1.00 2.23 H new ATOM 0 HH21 ARG A 39 11.391 4.390 -9.644 1.00 2.73 H new ATOM 0 HH22 ARG A 39 9.799 5.043 -10.042 1.00 2.73 H new ATOM 329 N LYS A 40 12.534 1.074 -4.258 1.00 0.59 N ATOM 330 CA LYS A 40 13.885 0.688 -3.857 1.00 0.67 C ATOM 331 C LYS A 40 13.830 -0.320 -2.715 1.00 0.65 C ATOM 332 O LYS A 40 14.580 -1.297 -2.690 1.00 0.71 O ATOM 333 CB LYS A 40 14.690 1.910 -3.412 1.00 0.78 C ATOM 334 CG LYS A 40 14.954 2.932 -4.507 1.00 0.83 C ATOM 335 CD LYS A 40 15.769 2.342 -5.643 1.00 1.29 C ATOM 336 CE LYS A 40 16.196 3.411 -6.635 1.00 1.82 C ATOM 337 NZ LYS A 40 15.039 4.176 -7.169 1.00 2.52 N ATOM 0 H LYS A 40 12.335 2.069 -4.160 1.00 0.59 H new ATOM 0 HA LYS A 40 14.374 0.235 -4.719 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.158 2.401 -2.597 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.646 1.572 -3.012 1.00 0.78 H new ATOM 0 HG2 LYS A 40 14.005 3.303 -4.895 1.00 0.83 H new ATOM 0 HG3 LYS A 40 15.483 3.787 -4.086 1.00 0.83 H new ATOM 0 HD2 LYS A 40 16.651 1.845 -5.240 1.00 1.29 H new ATOM 0 HD3 LYS A 40 15.182 1.581 -6.157 1.00 1.29 H new ATOM 0 HE2 LYS A 40 16.891 4.097 -6.150 1.00 1.82 H new ATOM 0 HE3 LYS A 40 16.733 2.944 -7.461 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 15.187 4.368 -8.181 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 14.169 3.620 -7.045 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 14.951 5.076 -6.655 1.00 2.52 H new ATOM 351 N MET A 41 12.931 -0.070 -1.769 1.00 0.64 N ATOM 352 CA MET A 41 12.732 -0.970 -0.642 1.00 0.68 C ATOM 353 C MET A 41 12.065 -2.256 -1.110 1.00 0.63 C ATOM 354 O MET A 41 12.420 -3.351 -0.672 1.00 0.67 O ATOM 355 CB MET A 41 11.870 -0.307 0.436 1.00 0.82 C ATOM 356 CG MET A 41 12.498 0.933 1.054 1.00 0.99 C ATOM 357 SD MET A 41 14.055 0.592 1.897 1.00 1.64 S ATOM 358 CE MET A 41 13.518 -0.568 3.153 1.00 2.61 C ATOM 0 H MET A 41 12.327 0.752 -1.762 1.00 0.64 H new ATOM 0 HA MET A 41 13.708 -1.203 -0.216 1.00 0.68 H new ATOM 0 HB2 MET A 41 10.908 -0.036 0.002 1.00 0.82 H new ATOM 0 HB3 MET A 41 11.671 -1.033 1.225 1.00 0.82 H new ATOM 0 HG2 MET A 41 12.669 1.674 0.273 1.00 0.99 H new ATOM 0 HG3 MET A 41 11.797 1.373 1.763 1.00 0.99 H new ATOM 0 HE1 MET A 41 14.166 -0.485 4.026 1.00 2.61 H new ATOM 0 HE2 MET A 41 12.491 -0.343 3.441 1.00 2.61 H new ATOM 0 HE3 MET A 41 13.570 -1.582 2.758 1.00 2.61 H new ATOM 368 N ALA A 42 11.106 -2.106 -2.015 1.00 0.60 N ATOM 369 CA ALA A 42 10.358 -3.235 -2.544 1.00 0.64 C ATOM 370 C ALA A 42 11.266 -4.207 -3.282 1.00 0.61 C ATOM 371 O ALA A 42 11.286 -5.391 -2.977 1.00 0.66 O ATOM 372 CB ALA A 42 9.250 -2.752 -3.461 1.00 0.75 C ATOM 0 H ALA A 42 10.827 -1.203 -2.400 1.00 0.60 H new ATOM 0 HA ALA A 42 9.915 -3.765 -1.701 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.699 -3.609 -3.849 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.571 -2.107 -2.903 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.682 -2.193 -4.291 1.00 0.75 H new ATOM 378 N GLU A 43 12.029 -3.704 -4.242 1.00 0.62 N ATOM 379 CA GLU A 43 12.917 -4.551 -5.030 1.00 0.75 C ATOM 380 C GLU A 43 13.986 -5.194 -4.154 1.00 0.71 C ATOM 381 O GLU A 43 14.489 -6.272 -4.468 1.00 0.79 O ATOM 382 CB GLU A 43 13.571 -3.752 -6.156 1.00 0.93 C ATOM 383 CG GLU A 43 12.628 -3.435 -7.304 1.00 1.33 C ATOM 384 CD GLU A 43 12.051 -4.685 -7.937 1.00 1.88 C ATOM 385 OE1 GLU A 43 10.814 -4.801 -8.016 1.00 2.39 O ATOM 386 OE2 GLU A 43 12.834 -5.565 -8.354 1.00 2.57 O ATOM 0 H GLU A 43 12.052 -2.716 -4.495 1.00 0.62 H new ATOM 0 HA GLU A 43 12.312 -5.344 -5.469 1.00 0.75 H new ATOM 0 HB2 GLU A 43 13.961 -2.819 -5.749 1.00 0.93 H new ATOM 0 HB3 GLU A 43 14.423 -4.313 -6.541 1.00 0.93 H new ATOM 0 HG2 GLU A 43 11.815 -2.806 -6.940 1.00 1.33 H new ATOM 0 HG3 GLU A 43 13.161 -2.860 -8.061 1.00 1.33 H new ATOM 393 N LYS A 44 14.311 -4.536 -3.050 1.00 0.68 N ATOM 394 CA LYS A 44 15.326 -5.031 -2.132 1.00 0.77 C ATOM 395 C LYS A 44 14.775 -6.161 -1.262 1.00 0.69 C ATOM 396 O LYS A 44 15.445 -7.167 -1.040 1.00 0.80 O ATOM 397 CB LYS A 44 15.837 -3.885 -1.257 1.00 0.92 C ATOM 398 CG LYS A 44 17.013 -4.261 -0.365 1.00 1.42 C ATOM 399 CD LYS A 44 17.567 -3.054 0.383 1.00 1.99 C ATOM 400 CE LYS A 44 18.504 -2.208 -0.478 1.00 2.49 C ATOM 401 NZ LYS A 44 17.826 -1.610 -1.662 1.00 2.98 N ATOM 0 H LYS A 44 13.884 -3.654 -2.768 1.00 0.68 H new ATOM 0 HA LYS A 44 16.154 -5.432 -2.716 1.00 0.77 H new ATOM 0 HB2 LYS A 44 16.133 -3.056 -1.899 1.00 0.92 H new ATOM 0 HB3 LYS A 44 15.019 -3.528 -0.631 1.00 0.92 H new ATOM 0 HG2 LYS A 44 16.697 -5.019 0.352 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.802 -4.705 -0.972 1.00 1.42 H new ATOM 0 HD2 LYS A 44 16.740 -2.435 0.729 1.00 1.99 H new ATOM 0 HD3 LYS A 44 18.103 -3.395 1.269 1.00 1.99 H new ATOM 0 HE2 LYS A 44 18.928 -1.410 0.132 1.00 2.49 H new ATOM 0 HE3 LYS A 44 19.335 -2.827 -0.816 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 18.364 -0.782 -1.989 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 17.776 -2.314 -2.426 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 16.864 -1.316 -1.399 1.00 2.98 H new ATOM 415 N ALA A 45 13.549 -5.995 -0.777 1.00 0.61 N ATOM 416 CA ALA A 45 12.934 -6.991 0.096 1.00 0.64 C ATOM 417 C ALA A 45 12.008 -7.919 -0.688 1.00 0.60 C ATOM 418 O ALA A 45 11.216 -8.660 -0.108 1.00 0.71 O ATOM 419 CB ALA A 45 12.176 -6.307 1.223 1.00 0.76 C ATOM 0 H ALA A 45 12.963 -5.184 -0.972 1.00 0.61 H new ATOM 0 HA ALA A 45 13.729 -7.601 0.526 1.00 0.64 H new ATOM 0 HB1 ALA A 45 11.722 -7.061 1.866 1.00 0.76 H new ATOM 0 HB2 ALA A 45 12.865 -5.698 1.808 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.396 -5.671 0.804 1.00 0.76 H new ATOM 425 N ASN A 46 12.122 -7.860 -2.011 1.00 0.56 N ATOM 426 CA ASN A 46 11.340 -8.704 -2.919 1.00 0.65 C ATOM 427 C ASN A 46 9.837 -8.499 -2.734 1.00 0.62 C ATOM 428 O ASN A 46 9.064 -9.457 -2.676 1.00 0.80 O ATOM 429 CB ASN A 46 11.704 -10.184 -2.749 1.00 0.83 C ATOM 430 CG ASN A 46 13.122 -10.487 -3.197 1.00 1.46 C ATOM 431 OD1 ASN A 46 13.375 -10.720 -4.378 1.00 2.11 O ATOM 432 ND2 ASN A 46 14.054 -10.500 -2.257 1.00 2.22 N ATOM 0 H ASN A 46 12.761 -7.224 -2.489 1.00 0.56 H new ATOM 0 HA ASN A 46 11.594 -8.400 -3.934 1.00 0.65 H new ATOM 0 HB2 ASN A 46 11.589 -10.466 -1.702 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.007 -10.795 -3.322 1.00 0.83 H new ATOM 0 HD21 ASN A 46 15.022 -10.709 -2.501 1.00 2.22 H new ATOM 0 HD22 ASN A 46 13.804 -10.301 -1.288 1.00 2.22 H new ATOM 439 N LEU A 47 9.433 -7.242 -2.652 1.00 0.48 N ATOM 440 CA LEU A 47 8.027 -6.888 -2.518 1.00 0.48 C ATOM 441 C LEU A 47 7.468 -6.499 -3.880 1.00 0.45 C ATOM 442 O LEU A 47 8.212 -6.053 -4.753 1.00 0.53 O ATOM 443 CB LEU A 47 7.856 -5.711 -1.553 1.00 0.51 C ATOM 444 CG LEU A 47 8.676 -5.778 -0.264 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.425 -4.542 0.580 1.00 1.10 C ATOM 446 CD2 LEU A 47 8.348 -7.034 0.526 1.00 1.11 C ATOM 0 H LEU A 47 10.065 -6.442 -2.676 1.00 0.48 H new ATOM 0 HA LEU A 47 7.489 -7.750 -2.124 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.118 -4.794 -2.080 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.802 -5.635 -1.286 1.00 0.51 H new ATOM 0 HG LEU A 47 9.732 -5.815 -0.532 1.00 0.58 H new ATOM 0 HD11 LEU A 47 9.014 -4.601 1.495 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.714 -3.653 0.019 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.366 -4.483 0.833 1.00 1.10 H new ATOM 0 HD21 LEU A 47 8.945 -7.057 1.438 1.00 1.11 H new ATOM 0 HD22 LEU A 47 7.289 -7.035 0.785 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.574 -7.913 -0.078 1.00 1.11 H new ATOM 458 N GLU A 48 6.167 -6.664 -4.058 1.00 0.43 N ATOM 459 CA GLU A 48 5.511 -6.279 -5.302 1.00 0.47 C ATOM 460 C GLU A 48 5.036 -4.828 -5.210 1.00 0.45 C ATOM 461 O GLU A 48 3.983 -4.554 -4.643 1.00 0.49 O ATOM 462 CB GLU A 48 4.321 -7.214 -5.565 1.00 0.58 C ATOM 463 CG GLU A 48 3.580 -6.944 -6.866 1.00 0.80 C ATOM 464 CD GLU A 48 4.371 -7.353 -8.092 1.00 1.27 C ATOM 465 OE1 GLU A 48 5.191 -6.547 -8.574 1.00 2.13 O ATOM 466 OE2 GLU A 48 4.167 -8.482 -8.585 1.00 1.74 O ATOM 0 H GLU A 48 5.542 -7.062 -3.357 1.00 0.43 H new ATOM 0 HA GLU A 48 6.218 -6.363 -6.127 1.00 0.47 H new ATOM 0 HB2 GLU A 48 4.679 -8.243 -5.573 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.618 -7.128 -4.737 1.00 0.58 H new ATOM 0 HG2 GLU A 48 2.632 -7.481 -6.856 1.00 0.80 H new ATOM 0 HG3 GLU A 48 3.344 -5.882 -6.930 1.00 0.80 H new ATOM 473 N LEU A 49 5.809 -3.904 -5.767 1.00 0.46 N ATOM 474 CA LEU A 49 5.483 -2.484 -5.679 1.00 0.50 C ATOM 475 C LEU A 49 4.666 -2.062 -6.889 1.00 0.45 C ATOM 476 O LEU A 49 5.155 -2.083 -8.021 1.00 0.54 O ATOM 477 CB LEU A 49 6.766 -1.640 -5.588 1.00 0.67 C ATOM 478 CG LEU A 49 6.623 -0.228 -4.983 1.00 0.75 C ATOM 479 CD1 LEU A 49 5.751 0.676 -5.843 1.00 1.49 C ATOM 480 CD2 LEU A 49 6.068 -0.303 -3.571 1.00 0.99 C ATOM 0 H LEU A 49 6.664 -4.110 -6.283 1.00 0.46 H new ATOM 0 HA LEU A 49 4.895 -2.318 -4.777 1.00 0.50 H new ATOM 0 HB2 LEU A 49 7.496 -2.192 -4.996 1.00 0.67 H new ATOM 0 HB3 LEU A 49 7.180 -1.540 -6.591 1.00 0.67 H new ATOM 0 HG LEU A 49 7.621 0.210 -4.950 1.00 0.75 H new ATOM 0 HD11 LEU A 49 5.678 1.660 -5.379 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.195 0.774 -6.834 1.00 1.49 H new ATOM 0 HD13 LEU A 49 4.755 0.242 -5.933 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.975 0.703 -3.163 1.00 0.99 H new ATOM 0 HD22 LEU A 49 5.088 -0.779 -3.590 1.00 0.99 H new ATOM 0 HD23 LEU A 49 6.743 -0.887 -2.945 1.00 0.99 H new ATOM 492 N ILE A 50 3.427 -1.678 -6.647 1.00 0.39 N ATOM 493 CA ILE A 50 2.544 -1.225 -7.705 1.00 0.43 C ATOM 494 C ILE A 50 1.997 0.159 -7.370 1.00 0.40 C ATOM 495 O ILE A 50 1.619 0.429 -6.231 1.00 0.37 O ATOM 496 CB ILE A 50 1.371 -2.205 -7.921 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.894 -3.611 -8.231 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.471 -1.709 -9.042 1.00 0.62 C ATOM 499 CD1 ILE A 50 0.803 -4.657 -8.337 1.00 1.31 C ATOM 0 H ILE A 50 3.006 -1.671 -5.718 1.00 0.39 H new ATOM 0 HA ILE A 50 3.125 -1.180 -8.626 1.00 0.43 H new ATOM 0 HB ILE A 50 0.786 -2.255 -7.003 1.00 0.50 H new ATOM 0 HG12 ILE A 50 2.451 -3.584 -9.168 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.596 -3.908 -7.451 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.352 -2.409 -9.184 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.073 -0.728 -8.782 1.00 0.62 H new ATOM 0 HG23 ILE A 50 1.047 -1.634 -9.964 1.00 0.62 H new ATOM 0 HD11 ILE A 50 1.249 -5.627 -8.558 1.00 1.31 H new ATOM 0 HD12 ILE A 50 0.260 -4.714 -7.393 1.00 1.31 H new ATOM 0 HD13 ILE A 50 0.114 -4.384 -9.136 1.00 1.31 H new ATOM 511 N THR A 51 1.971 1.038 -8.355 1.00 0.48 N ATOM 512 CA THR A 51 1.471 2.384 -8.156 1.00 0.52 C ATOM 513 C THR A 51 0.192 2.599 -8.958 1.00 0.56 C ATOM 514 O THR A 51 0.237 2.721 -10.182 1.00 0.66 O ATOM 515 CB THR A 51 2.523 3.426 -8.584 1.00 0.63 C ATOM 516 OG1 THR A 51 3.807 3.064 -8.058 1.00 1.19 O ATOM 517 CG2 THR A 51 2.151 4.819 -8.096 1.00 1.20 C ATOM 0 H THR A 51 2.292 0.842 -9.303 1.00 0.48 H new ATOM 0 HA THR A 51 1.258 2.510 -7.094 1.00 0.52 H new ATOM 0 HB THR A 51 2.559 3.441 -9.673 1.00 0.63 H new ATOM 0 HG1 THR A 51 4.473 3.728 -8.334 1.00 1.19 H new ATOM 0 HG21 THR A 51 2.912 5.531 -8.414 1.00 1.20 H new ATOM 0 HG22 THR A 51 1.187 5.106 -8.516 1.00 1.20 H new ATOM 0 HG23 THR A 51 2.087 4.818 -7.008 1.00 1.20 H new ATOM 525 N VAL A 52 -0.948 2.621 -8.278 1.00 0.68 N ATOM 526 CA VAL A 52 -2.217 2.885 -8.946 1.00 0.78 C ATOM 527 C VAL A 52 -2.901 4.094 -8.310 1.00 0.85 C ATOM 528 O VAL A 52 -3.756 3.954 -7.431 1.00 1.66 O ATOM 529 CB VAL A 52 -3.151 1.654 -8.848 1.00 1.35 C ATOM 530 CG1 VAL A 52 -4.508 1.928 -9.474 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.509 0.438 -9.492 1.00 1.95 C ATOM 0 H VAL A 52 -1.020 2.461 -7.273 1.00 0.68 H new ATOM 0 HA VAL A 52 -2.015 3.092 -9.997 1.00 0.78 H new ATOM 0 HB VAL A 52 -3.307 1.448 -7.789 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -5.135 1.041 -9.386 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -4.985 2.762 -8.959 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -4.379 2.178 -10.527 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -3.183 -0.415 -9.411 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -2.310 0.645 -10.543 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.572 0.209 -8.984 1.00 1.95 H new ATOM 541 N PRO A 53 -2.502 5.305 -8.716 1.00 0.73 N ATOM 542 CA PRO A 53 -3.126 6.530 -8.256 1.00 0.90 C ATOM 543 C PRO A 53 -4.281 7.013 -9.137 1.00 0.88 C ATOM 544 O PRO A 53 -4.052 7.544 -10.225 1.00 1.64 O ATOM 545 CB PRO A 53 -1.963 7.514 -8.309 1.00 1.83 C ATOM 546 CG PRO A 53 -1.106 7.047 -9.445 1.00 2.29 C ATOM 547 CD PRO A 53 -1.413 5.583 -9.664 1.00 1.49 C ATOM 0 HA PRO A 53 -3.589 6.408 -7.277 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -2.316 8.532 -8.474 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -1.407 7.517 -7.372 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -1.315 7.623 -10.347 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -0.050 7.188 -9.214 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -1.719 5.388 -10.692 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -0.542 4.958 -9.467 1.00 1.49 H new ATOM 555 N GLY A 54 -5.512 6.821 -8.705 1.00 1.49 N ATOM 556 CA GLY A 54 -6.571 7.686 -9.185 1.00 2.14 C ATOM 557 C GLY A 54 -7.341 8.257 -8.022 1.00 1.80 C ATOM 558 O GLY A 54 -7.515 9.467 -7.889 1.00 2.08 O ATOM 0 H GLY A 54 -5.798 6.099 -8.044 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -6.149 8.494 -9.783 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -7.242 7.125 -9.835 1.00 2.14 H new ATOM 562 N SER A 55 -7.785 7.350 -7.175 1.00 1.36 N ATOM 563 CA SER A 55 -8.239 7.646 -5.833 1.00 0.97 C ATOM 564 C SER A 55 -7.367 6.864 -4.855 1.00 0.64 C ATOM 565 O SER A 55 -6.615 5.987 -5.291 1.00 0.50 O ATOM 566 CB SER A 55 -9.712 7.263 -5.679 1.00 1.19 C ATOM 567 OG SER A 55 -10.502 7.867 -6.688 1.00 1.75 O ATOM 0 H SER A 55 -7.841 6.359 -7.409 1.00 1.36 H new ATOM 0 HA SER A 55 -8.153 8.713 -5.628 1.00 0.97 H new ATOM 0 HB2 SER A 55 -9.817 6.179 -5.730 1.00 1.19 H new ATOM 0 HB3 SER A 55 -10.071 7.572 -4.697 1.00 1.19 H new ATOM 0 HG SER A 55 -11.439 7.606 -6.570 1.00 1.75 H new ATOM 573 N PRO A 56 -7.428 7.134 -3.546 1.00 0.66 N ATOM 574 CA PRO A 56 -6.804 6.251 -2.561 1.00 0.58 C ATOM 575 C PRO A 56 -7.381 4.826 -2.616 1.00 0.53 C ATOM 576 O PRO A 56 -6.642 3.840 -2.524 1.00 0.62 O ATOM 577 CB PRO A 56 -7.111 6.912 -1.209 1.00 0.70 C ATOM 578 CG PRO A 56 -8.179 7.920 -1.483 1.00 1.09 C ATOM 579 CD PRO A 56 -8.031 8.323 -2.923 1.00 0.87 C ATOM 0 HA PRO A 56 -5.736 6.136 -2.743 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -7.447 6.174 -0.480 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -6.222 7.387 -0.795 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -9.167 7.498 -1.299 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -8.074 8.784 -0.826 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -8.993 8.569 -3.373 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -7.394 9.201 -3.032 1.00 0.87 H new ATOM 587 N GLU A 57 -8.699 4.718 -2.808 1.00 0.62 N ATOM 588 CA GLU A 57 -9.369 3.414 -2.791 1.00 0.80 C ATOM 589 C GLU A 57 -8.986 2.564 -3.999 1.00 0.67 C ATOM 590 O GLU A 57 -9.153 1.346 -3.972 1.00 0.67 O ATOM 591 CB GLU A 57 -10.897 3.546 -2.762 1.00 1.14 C ATOM 592 CG GLU A 57 -11.422 4.704 -1.937 1.00 1.80 C ATOM 593 CD GLU A 57 -11.581 5.952 -2.769 1.00 1.95 C ATOM 594 OE1 GLU A 57 -10.608 6.706 -2.896 1.00 2.06 O ATOM 595 OE2 GLU A 57 -12.674 6.161 -3.329 1.00 2.70 O ATOM 0 H GLU A 57 -9.319 5.510 -2.976 1.00 0.62 H new ATOM 0 HA GLU A 57 -9.033 2.926 -1.876 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -11.257 3.655 -3.785 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.320 2.620 -2.372 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -12.383 4.433 -1.499 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -10.739 4.902 -1.111 1.00 1.80 H new ATOM 602 N GLU A 58 -8.481 3.193 -5.058 1.00 0.61 N ATOM 603 CA GLU A 58 -8.121 2.460 -6.271 1.00 0.56 C ATOM 604 C GLU A 58 -7.045 1.432 -5.965 1.00 0.50 C ATOM 605 O GLU A 58 -7.085 0.302 -6.460 1.00 0.54 O ATOM 606 CB GLU A 58 -7.633 3.406 -7.368 1.00 0.62 C ATOM 607 CG GLU A 58 -8.650 4.461 -7.760 1.00 1.18 C ATOM 608 CD GLU A 58 -10.007 3.886 -8.092 1.00 1.57 C ATOM 609 OE1 GLU A 58 -10.889 3.900 -7.211 1.00 2.30 O ATOM 610 OE2 GLU A 58 -10.202 3.426 -9.237 1.00 2.01 O ATOM 0 H GLU A 58 -8.313 4.198 -5.102 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.016 1.952 -6.630 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -6.722 3.900 -7.031 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -7.371 2.821 -8.250 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -8.755 5.176 -6.944 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -8.276 5.014 -8.622 1.00 1.18 H new ATOM 617 N ALA A 59 -6.095 1.829 -5.133 1.00 0.52 N ATOM 618 CA ALA A 59 -5.036 0.936 -4.705 1.00 0.59 C ATOM 619 C ALA A 59 -5.605 -0.169 -3.824 1.00 0.50 C ATOM 620 O ALA A 59 -5.177 -1.316 -3.898 1.00 0.50 O ATOM 621 CB ALA A 59 -3.961 1.715 -3.965 1.00 0.78 C ATOM 0 H ALA A 59 -6.038 2.769 -4.741 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.583 0.476 -5.583 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.171 1.034 -3.648 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -3.542 2.474 -4.625 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -4.398 2.196 -3.090 1.00 0.78 H new ATOM 627 N ILE A 60 -6.595 0.184 -3.010 1.00 0.51 N ATOM 628 CA ILE A 60 -7.229 -0.775 -2.110 1.00 0.52 C ATOM 629 C ILE A 60 -8.063 -1.800 -2.881 1.00 0.50 C ATOM 630 O ILE A 60 -8.076 -2.986 -2.548 1.00 0.52 O ATOM 631 CB ILE A 60 -8.123 -0.068 -1.073 1.00 0.63 C ATOM 632 CG1 ILE A 60 -7.316 0.988 -0.319 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.717 -1.081 -0.102 1.00 0.74 C ATOM 634 CD1 ILE A 60 -8.119 1.734 0.718 1.00 1.03 C ATOM 0 H ILE A 60 -6.976 1.128 -2.955 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.424 -1.294 -1.589 1.00 0.52 H new ATOM 0 HB ILE A 60 -8.943 0.425 -1.595 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -6.468 0.506 0.168 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -6.909 1.702 -1.035 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -9.346 -0.564 0.623 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.318 -1.804 -0.653 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -7.913 -1.600 0.419 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -7.482 2.467 1.213 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -8.952 2.245 0.235 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -8.504 1.030 1.456 1.00 1.03 H new ATOM 646 N ARG A 61 -8.761 -1.343 -3.912 1.00 0.51 N ATOM 647 CA ARG A 61 -9.550 -2.242 -4.745 1.00 0.57 C ATOM 648 C ARG A 61 -8.634 -3.176 -5.519 1.00 0.55 C ATOM 649 O ARG A 61 -8.903 -4.374 -5.633 1.00 0.67 O ATOM 650 CB ARG A 61 -10.446 -1.459 -5.704 1.00 0.63 C ATOM 651 CG ARG A 61 -11.518 -0.649 -4.997 1.00 0.68 C ATOM 652 CD ARG A 61 -12.492 -0.028 -5.985 1.00 0.85 C ATOM 653 NE ARG A 61 -13.227 -1.044 -6.736 1.00 1.75 N ATOM 654 CZ ARG A 61 -14.340 -0.805 -7.427 1.00 2.33 C ATOM 655 NH1 ARG A 61 -14.850 0.420 -7.476 1.00 2.28 N ATOM 656 NH2 ARG A 61 -14.943 -1.798 -8.067 1.00 3.35 N ATOM 0 H ARG A 61 -8.798 -0.362 -4.191 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.192 -2.835 -4.094 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -9.829 -0.788 -6.302 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -10.922 -2.154 -6.395 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.062 -1.291 -4.304 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.050 0.137 -4.404 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -13.197 0.608 -5.449 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -11.947 0.613 -6.678 1.00 0.85 H new ATOM 0 HE ARG A 61 -12.864 -1.997 -6.730 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -14.389 1.184 -6.983 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -15.703 0.597 -8.007 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -14.554 -2.740 -8.029 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -15.796 -1.619 -8.597 1.00 3.35 H new ATOM 670 N LEU A 62 -7.540 -2.624 -6.029 1.00 0.47 N ATOM 671 CA LEU A 62 -6.526 -3.412 -6.714 1.00 0.50 C ATOM 672 C LEU A 62 -5.941 -4.427 -5.729 1.00 0.43 C ATOM 673 O LEU A 62 -5.682 -5.580 -6.078 1.00 0.45 O ATOM 674 CB LEU A 62 -5.433 -2.477 -7.258 1.00 0.59 C ATOM 675 CG LEU A 62 -4.691 -2.941 -8.524 1.00 0.69 C ATOM 676 CD1 LEU A 62 -3.854 -4.177 -8.256 1.00 1.22 C ATOM 677 CD2 LEU A 62 -5.670 -3.198 -9.660 1.00 1.03 C ATOM 0 H LEU A 62 -7.333 -1.627 -5.980 1.00 0.47 H new ATOM 0 HA LEU A 62 -6.964 -3.950 -7.555 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -5.887 -1.508 -7.466 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -4.696 -2.321 -6.470 1.00 0.59 H new ATOM 0 HG LEU A 62 -4.016 -2.138 -8.821 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -3.344 -4.477 -9.172 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -3.116 -3.956 -7.485 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -4.500 -4.988 -7.918 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -5.123 -3.525 -10.545 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -6.377 -3.973 -9.363 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -6.213 -2.280 -9.887 1.00 1.03 H new ATOM 689 N ALA A 63 -5.771 -3.979 -4.489 1.00 0.41 N ATOM 690 CA ALA A 63 -5.285 -4.822 -3.404 1.00 0.42 C ATOM 691 C ALA A 63 -6.192 -6.029 -3.190 1.00 0.46 C ATOM 692 O ALA A 63 -5.724 -7.165 -3.117 1.00 0.49 O ATOM 693 CB ALA A 63 -5.185 -4.006 -2.123 1.00 0.49 C ATOM 0 H ALA A 63 -5.967 -3.018 -4.208 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.297 -5.192 -3.676 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.821 -4.641 -1.315 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.493 -3.177 -2.273 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -6.169 -3.615 -1.863 1.00 0.49 H new ATOM 699 N GLN A 64 -7.493 -5.772 -3.096 1.00 0.52 N ATOM 700 CA GLN A 64 -8.474 -6.834 -2.889 1.00 0.64 C ATOM 701 C GLN A 64 -8.459 -7.823 -4.053 1.00 0.62 C ATOM 702 O GLN A 64 -8.606 -9.030 -3.858 1.00 0.69 O ATOM 703 CB GLN A 64 -9.875 -6.237 -2.711 1.00 0.77 C ATOM 704 CG GLN A 64 -10.969 -7.289 -2.599 1.00 1.11 C ATOM 705 CD GLN A 64 -12.355 -6.697 -2.425 1.00 1.39 C ATOM 706 OE1 GLN A 64 -13.344 -7.274 -2.876 1.00 1.95 O ATOM 707 NE2 GLN A 64 -12.443 -5.556 -1.760 1.00 2.12 N ATOM 0 H GLN A 64 -7.894 -4.836 -3.160 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.206 -7.375 -1.981 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -9.886 -5.615 -1.816 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -10.094 -5.584 -3.556 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.957 -7.912 -3.493 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -10.751 -7.941 -1.753 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -11.600 -5.108 -1.402 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -13.354 -5.124 -1.606 1.00 2.12 H new ATOM 716 N GLU A 65 -8.265 -7.305 -5.259 1.00 0.58 N ATOM 717 CA GLU A 65 -8.201 -8.141 -6.449 1.00 0.63 C ATOM 718 C GLU A 65 -6.990 -9.062 -6.388 1.00 0.55 C ATOM 719 O GLU A 65 -7.103 -10.258 -6.645 1.00 0.62 O ATOM 720 CB GLU A 65 -8.161 -7.268 -7.703 1.00 0.69 C ATOM 721 CG GLU A 65 -8.179 -8.058 -8.999 1.00 1.24 C ATOM 722 CD GLU A 65 -8.437 -7.180 -10.202 1.00 1.50 C ATOM 723 OE1 GLU A 65 -9.510 -7.322 -10.823 1.00 2.21 O ATOM 724 OE2 GLU A 65 -7.580 -6.334 -10.524 1.00 1.95 O ATOM 0 H GLU A 65 -8.149 -6.308 -5.438 1.00 0.58 H new ATOM 0 HA GLU A 65 -9.095 -8.763 -6.492 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -9.014 -6.590 -7.690 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -7.263 -6.651 -7.677 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -7.225 -8.570 -9.123 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -8.948 -8.828 -8.942 1.00 1.24 H new ATOM 731 N ILE A 66 -5.838 -8.513 -6.018 1.00 0.46 N ATOM 732 CA ILE A 66 -4.630 -9.316 -5.877 1.00 0.46 C ATOM 733 C ILE A 66 -4.808 -10.363 -4.780 1.00 0.43 C ATOM 734 O ILE A 66 -4.395 -11.508 -4.932 1.00 0.48 O ATOM 735 CB ILE A 66 -3.395 -8.443 -5.563 1.00 0.54 C ATOM 736 CG1 ILE A 66 -3.157 -7.441 -6.693 1.00 0.66 C ATOM 737 CG2 ILE A 66 -2.160 -9.313 -5.353 1.00 0.64 C ATOM 738 CD1 ILE A 66 -1.976 -6.527 -6.457 1.00 0.53 C ATOM 0 H ILE A 66 -5.716 -7.522 -5.812 1.00 0.46 H new ATOM 0 HA ILE A 66 -4.461 -9.814 -6.832 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.585 -7.893 -4.641 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -3.002 -7.987 -7.624 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -4.054 -6.835 -6.824 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -1.301 -8.679 -5.133 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -2.332 -9.993 -4.519 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.963 -9.890 -6.257 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.870 -5.845 -7.300 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -2.136 -5.954 -5.544 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -1.069 -7.123 -6.356 1.00 0.53 H new ATOM 750 N ALA A 67 -5.459 -9.969 -3.692 1.00 0.44 N ATOM 751 CA ALA A 67 -5.711 -10.876 -2.576 1.00 0.51 C ATOM 752 C ALA A 67 -6.604 -12.040 -2.996 1.00 0.55 C ATOM 753 O ALA A 67 -6.570 -13.117 -2.395 1.00 0.63 O ATOM 754 CB ALA A 67 -6.339 -10.117 -1.419 1.00 0.60 C ATOM 0 H ALA A 67 -5.823 -9.026 -3.558 1.00 0.44 H new ATOM 0 HA ALA A 67 -4.756 -11.290 -2.254 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -6.523 -10.802 -0.592 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.663 -9.327 -1.092 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -7.282 -9.677 -1.742 1.00 0.60 H new ATOM 760 N GLU A 68 -7.407 -11.820 -4.029 1.00 0.60 N ATOM 761 CA GLU A 68 -8.281 -12.859 -4.554 1.00 0.73 C ATOM 762 C GLU A 68 -7.561 -13.681 -5.624 1.00 0.73 C ATOM 763 O GLU A 68 -7.834 -14.869 -5.810 1.00 0.87 O ATOM 764 CB GLU A 68 -9.556 -12.232 -5.132 1.00 0.83 C ATOM 765 CG GLU A 68 -10.549 -13.244 -5.685 1.00 1.10 C ATOM 766 CD GLU A 68 -11.135 -14.153 -4.622 1.00 1.71 C ATOM 767 OE1 GLU A 68 -12.369 -14.121 -4.425 1.00 2.46 O ATOM 768 OE2 GLU A 68 -10.373 -14.915 -3.987 1.00 2.22 O ATOM 0 H GLU A 68 -7.471 -10.929 -4.521 1.00 0.60 H new ATOM 0 HA GLU A 68 -8.555 -13.527 -3.737 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -10.045 -11.646 -4.354 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -9.280 -11.539 -5.926 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -11.359 -12.712 -6.185 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.053 -13.853 -6.441 1.00 1.10 H new ATOM 775 N LYS A 69 -6.629 -13.045 -6.313 1.00 0.65 N ATOM 776 CA LYS A 69 -5.954 -13.659 -7.448 1.00 0.71 C ATOM 777 C LYS A 69 -4.675 -14.389 -7.037 1.00 0.73 C ATOM 778 O LYS A 69 -4.218 -15.286 -7.743 1.00 0.92 O ATOM 779 CB LYS A 69 -5.655 -12.585 -8.494 1.00 0.73 C ATOM 780 CG LYS A 69 -6.911 -12.048 -9.164 1.00 0.77 C ATOM 781 CD LYS A 69 -7.369 -12.964 -10.288 1.00 1.29 C ATOM 782 CE LYS A 69 -8.745 -12.580 -10.803 1.00 1.73 C ATOM 783 NZ LYS A 69 -9.803 -12.820 -9.786 1.00 2.41 N ATOM 0 H LYS A 69 -6.319 -12.096 -6.105 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.617 -14.413 -7.872 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -5.121 -11.761 -8.020 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -4.992 -12.999 -9.254 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.706 -11.949 -8.425 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -6.717 -11.051 -9.560 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -6.650 -12.923 -11.106 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -7.388 -13.994 -9.932 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -8.746 -11.528 -11.087 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -8.969 -13.153 -11.703 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -10.734 -12.826 -10.249 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -9.640 -13.738 -9.325 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -9.776 -12.064 -9.072 1.00 2.41 H new ATOM 797 N ALA A 70 -4.104 -14.011 -5.906 1.00 0.67 N ATOM 798 CA ALA A 70 -2.903 -14.667 -5.409 1.00 0.71 C ATOM 799 C ALA A 70 -3.263 -15.845 -4.513 1.00 0.69 C ATOM 800 O ALA A 70 -3.924 -15.673 -3.487 1.00 0.68 O ATOM 801 CB ALA A 70 -2.029 -13.685 -4.647 1.00 0.78 C ATOM 0 H ALA A 70 -4.450 -13.255 -5.315 1.00 0.67 H new ATOM 0 HA ALA A 70 -2.345 -15.038 -6.268 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.137 -14.197 -4.285 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -1.736 -12.870 -5.308 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -2.586 -13.283 -3.800 1.00 0.78 H new ATOM 807 N PRO A 71 -2.855 -17.061 -4.895 1.00 0.84 N ATOM 808 CA PRO A 71 -3.084 -18.247 -4.085 1.00 0.90 C ATOM 809 C PRO A 71 -2.008 -18.427 -3.016 1.00 0.81 C ATOM 810 O PRO A 71 -0.861 -18.777 -3.309 1.00 0.93 O ATOM 811 CB PRO A 71 -3.026 -19.374 -5.112 1.00 1.19 C ATOM 812 CG PRO A 71 -2.090 -18.886 -6.169 1.00 1.34 C ATOM 813 CD PRO A 71 -2.159 -17.378 -6.155 1.00 1.08 C ATOM 0 HA PRO A 71 -4.022 -18.204 -3.532 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -2.666 -20.299 -4.663 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -4.013 -19.583 -5.525 1.00 1.19 H new ATOM 0 HG2 PRO A 71 -1.074 -19.228 -5.972 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -2.374 -19.276 -7.146 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -1.164 -16.933 -6.184 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -2.704 -16.996 -7.018 1.00 1.08 H new ATOM 821 N GLY A 72 -2.386 -18.188 -1.774 1.00 0.75 N ATOM 822 CA GLY A 72 -1.476 -18.377 -0.666 1.00 0.77 C ATOM 823 C GLY A 72 -1.507 -17.206 0.290 1.00 0.63 C ATOM 824 O GLY A 72 -2.346 -16.315 0.143 1.00 0.62 O ATOM 0 H GLY A 72 -3.316 -17.863 -1.510 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -1.738 -19.290 -0.131 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -0.463 -18.510 -1.046 1.00 0.77 H new ATOM 828 N PRO A 73 -0.615 -17.179 1.287 1.00 0.61 N ATOM 829 CA PRO A 73 -0.535 -16.072 2.233 1.00 0.58 C ATOM 830 C PRO A 73 0.079 -14.837 1.587 1.00 0.48 C ATOM 831 O PRO A 73 1.231 -14.860 1.149 1.00 0.54 O ATOM 832 CB PRO A 73 0.378 -16.603 3.352 1.00 0.71 C ATOM 833 CG PRO A 73 0.585 -18.055 3.056 1.00 0.90 C ATOM 834 CD PRO A 73 0.380 -18.213 1.577 1.00 0.73 C ATOM 0 HA PRO A 73 -1.517 -15.766 2.593 1.00 0.58 H new ATOM 0 HB2 PRO A 73 1.328 -16.068 3.368 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -0.082 -16.465 4.330 1.00 0.71 H new ATOM 0 HG2 PRO A 73 1.586 -18.373 3.347 1.00 0.90 H new ATOM 0 HG3 PRO A 73 -0.120 -18.671 3.615 1.00 0.90 H new ATOM 0 HD2 PRO A 73 1.303 -18.056 1.020 1.00 0.73 H new ATOM 0 HD3 PRO A 73 0.018 -19.209 1.321 1.00 0.73 H new ATOM 842 N VAL A 74 -0.687 -13.763 1.533 1.00 0.48 N ATOM 843 CA VAL A 74 -0.236 -12.537 0.901 1.00 0.46 C ATOM 844 C VAL A 74 -0.879 -11.324 1.564 1.00 0.44 C ATOM 845 O VAL A 74 -2.102 -11.229 1.661 1.00 0.56 O ATOM 846 CB VAL A 74 -0.535 -12.540 -0.622 1.00 0.62 C ATOM 847 CG1 VAL A 74 -2.007 -12.814 -0.897 1.00 1.50 C ATOM 848 CG2 VAL A 74 -0.107 -11.228 -1.260 1.00 1.31 C ATOM 0 H VAL A 74 -1.629 -13.715 1.921 1.00 0.48 H new ATOM 0 HA VAL A 74 0.845 -12.477 1.031 1.00 0.46 H new ATOM 0 HB VAL A 74 0.045 -13.346 -1.071 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -2.183 -12.809 -1.973 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -2.278 -13.788 -0.489 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -2.615 -12.041 -0.426 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -0.326 -11.254 -2.327 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -0.651 -10.404 -0.798 1.00 1.31 H new ATOM 0 HG23 VAL A 74 0.963 -11.084 -1.113 1.00 1.31 H new ATOM 858 N LYS A 75 -0.048 -10.416 2.047 1.00 0.44 N ATOM 859 CA LYS A 75 -0.536 -9.203 2.675 1.00 0.52 C ATOM 860 C LYS A 75 -0.274 -8.021 1.761 1.00 0.42 C ATOM 861 O LYS A 75 0.835 -7.860 1.244 1.00 0.45 O ATOM 862 CB LYS A 75 0.140 -8.977 4.031 1.00 0.76 C ATOM 863 CG LYS A 75 -0.382 -7.755 4.776 1.00 1.20 C ATOM 864 CD LYS A 75 0.386 -7.506 6.067 1.00 1.52 C ATOM 865 CE LYS A 75 0.169 -8.613 7.090 1.00 1.90 C ATOM 866 NZ LYS A 75 -1.240 -8.676 7.560 1.00 2.58 N ATOM 0 H LYS A 75 0.968 -10.497 2.016 1.00 0.44 H new ATOM 0 HA LYS A 75 -1.608 -9.305 2.845 1.00 0.52 H new ATOM 0 HB2 LYS A 75 -0.006 -9.861 4.652 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.214 -8.868 3.879 1.00 0.76 H new ATOM 0 HG2 LYS A 75 -0.306 -6.878 4.133 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -1.439 -7.893 5.003 1.00 1.20 H new ATOM 0 HD2 LYS A 75 1.450 -7.423 5.844 1.00 1.52 H new ATOM 0 HD3 LYS A 75 0.075 -6.553 6.494 1.00 1.52 H new ATOM 0 HE2 LYS A 75 0.447 -9.571 6.650 1.00 1.90 H new ATOM 0 HE3 LYS A 75 0.828 -8.451 7.943 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 -1.304 -9.310 8.382 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 -1.558 -7.724 7.832 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 -1.845 -9.038 6.796 1.00 2.58 H new ATOM 880 N VAL A 76 -1.291 -7.209 1.544 1.00 0.42 N ATOM 881 CA VAL A 76 -1.151 -6.051 0.687 1.00 0.39 C ATOM 882 C VAL A 76 -1.087 -4.778 1.519 1.00 0.38 C ATOM 883 O VAL A 76 -1.961 -4.516 2.345 1.00 0.50 O ATOM 884 CB VAL A 76 -2.302 -5.938 -0.330 1.00 0.53 C ATOM 885 CG1 VAL A 76 -1.991 -4.861 -1.356 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.562 -7.275 -1.011 1.00 1.16 C ATOM 0 H VAL A 76 -2.219 -7.330 1.948 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.221 -6.178 0.132 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.208 -5.656 0.206 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -2.812 -4.790 -2.070 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -1.866 -3.903 -0.851 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.072 -5.116 -1.884 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.379 -7.167 -1.724 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.663 -7.597 -1.536 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.830 -8.019 -0.261 1.00 1.16 H new ATOM 896 N LEU A 77 -0.038 -4.006 1.305 1.00 0.35 N ATOM 897 CA LEU A 77 0.159 -2.755 2.008 1.00 0.41 C ATOM 898 C LEU A 77 -0.211 -1.599 1.086 1.00 0.39 C ATOM 899 O LEU A 77 0.419 -1.400 0.049 1.00 0.43 O ATOM 900 CB LEU A 77 1.623 -2.632 2.452 1.00 0.54 C ATOM 901 CG LEU A 77 1.871 -1.893 3.774 1.00 0.62 C ATOM 902 CD1 LEU A 77 1.336 -0.471 3.728 1.00 0.90 C ATOM 903 CD2 LEU A 77 1.255 -2.659 4.933 1.00 1.35 C ATOM 0 H LEU A 77 0.701 -4.230 0.638 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.477 -2.727 2.893 1.00 0.41 H new ATOM 0 HB2 LEU A 77 2.041 -3.635 2.537 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.178 -2.121 1.665 1.00 0.54 H new ATOM 0 HG LEU A 77 2.949 -1.834 3.925 1.00 0.62 H new ATOM 0 HD11 LEU A 77 1.529 0.021 4.681 1.00 0.90 H new ATOM 0 HD12 LEU A 77 1.832 0.079 2.928 1.00 0.90 H new ATOM 0 HD13 LEU A 77 0.262 -0.492 3.542 1.00 0.90 H new ATOM 0 HD21 LEU A 77 1.440 -2.122 5.863 1.00 1.35 H new ATOM 0 HD22 LEU A 77 0.181 -2.754 4.776 1.00 1.35 H new ATOM 0 HD23 LEU A 77 1.702 -3.651 4.992 1.00 1.35 H new ATOM 915 N VAL A 78 -1.243 -0.862 1.454 1.00 0.37 N ATOM 916 CA VAL A 78 -1.681 0.277 0.666 1.00 0.36 C ATOM 917 C VAL A 78 -1.249 1.580 1.326 1.00 0.36 C ATOM 918 O VAL A 78 -1.688 1.906 2.431 1.00 0.38 O ATOM 919 CB VAL A 78 -3.210 0.282 0.477 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.648 1.482 -0.351 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.674 -1.013 -0.172 1.00 1.01 C ATOM 0 H VAL A 78 -1.795 -1.032 2.295 1.00 0.37 H new ATOM 0 HA VAL A 78 -1.213 0.191 -0.315 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.674 0.359 1.461 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.731 1.465 -0.472 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.354 2.401 0.156 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -3.173 1.441 -1.331 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.757 -0.990 -0.297 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.199 -1.122 -1.147 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.400 -1.856 0.462 1.00 1.01 H new ATOM 931 N LEU A 79 -0.382 2.316 0.648 1.00 0.38 N ATOM 932 CA LEU A 79 0.114 3.579 1.171 1.00 0.40 C ATOM 933 C LEU A 79 -0.780 4.722 0.724 1.00 0.37 C ATOM 934 O LEU A 79 -0.763 5.118 -0.444 1.00 0.41 O ATOM 935 CB LEU A 79 1.558 3.850 0.720 1.00 0.46 C ATOM 936 CG LEU A 79 2.641 2.937 1.310 1.00 0.58 C ATOM 937 CD1 LEU A 79 2.539 2.876 2.826 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.562 1.546 0.713 1.00 1.37 C ATOM 0 H LEU A 79 -0.007 2.060 -0.266 1.00 0.38 H new ATOM 0 HA LEU A 79 0.103 3.509 2.259 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.597 3.769 -0.366 1.00 0.46 H new ATOM 0 HB3 LEU A 79 1.806 4.881 0.972 1.00 0.46 H new ATOM 0 HG LEU A 79 3.611 3.363 1.053 1.00 0.58 H new ATOM 0 HD11 LEU A 79 3.318 2.222 3.217 1.00 1.23 H new ATOM 0 HD12 LEU A 79 2.664 3.877 3.240 1.00 1.23 H new ATOM 0 HD13 LEU A 79 1.562 2.485 3.109 1.00 1.23 H new ATOM 0 HD21 LEU A 79 3.340 0.919 1.148 1.00 1.37 H new ATOM 0 HD22 LEU A 79 1.585 1.113 0.927 1.00 1.37 H new ATOM 0 HD23 LEU A 79 2.704 1.605 -0.366 1.00 1.37 H new ATOM 950 N ILE A 80 -1.565 5.237 1.653 1.00 0.41 N ATOM 951 CA ILE A 80 -2.436 6.367 1.378 1.00 0.43 C ATOM 952 C ILE A 80 -1.613 7.646 1.409 1.00 0.41 C ATOM 953 O ILE A 80 -0.901 7.903 2.377 1.00 0.42 O ATOM 954 CB ILE A 80 -3.582 6.466 2.413 1.00 0.54 C ATOM 955 CG1 ILE A 80 -4.341 5.136 2.511 1.00 1.23 C ATOM 956 CG2 ILE A 80 -4.535 7.599 2.055 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.003 4.705 1.219 1.00 1.40 C ATOM 0 H ILE A 80 -1.618 4.889 2.610 1.00 0.41 H new ATOM 0 HA ILE A 80 -2.884 6.225 0.394 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.142 6.683 3.386 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -3.648 4.357 2.829 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -5.103 5.221 3.286 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -5.333 7.651 2.796 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.990 8.543 2.042 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -4.965 7.415 1.070 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -5.518 3.757 1.373 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.723 5.462 0.909 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -4.246 4.585 0.444 1.00 1.40 H new ATOM 969 N THR A 81 -1.688 8.427 0.342 1.00 0.60 N ATOM 970 CA THR A 81 -0.893 9.639 0.232 1.00 0.69 C ATOM 971 C THR A 81 -1.338 10.680 1.260 1.00 0.79 C ATOM 972 O THR A 81 -2.482 10.654 1.723 1.00 1.20 O ATOM 973 CB THR A 81 -0.964 10.224 -1.199 1.00 1.13 C ATOM 974 OG1 THR A 81 -0.046 11.313 -1.349 1.00 2.07 O ATOM 975 CG2 THR A 81 -2.370 10.698 -1.525 1.00 1.92 C ATOM 0 H THR A 81 -2.291 8.243 -0.459 1.00 0.60 H new ATOM 0 HA THR A 81 0.144 9.375 0.439 1.00 0.69 H new ATOM 0 HB THR A 81 -0.691 9.429 -1.892 1.00 1.13 H new ATOM 0 HG1 THR A 81 0.229 11.382 -2.287 1.00 2.07 H new ATOM 0 HG21 THR A 81 -2.392 11.104 -2.536 1.00 1.92 H new ATOM 0 HG22 THR A 81 -3.062 9.859 -1.456 1.00 1.92 H new ATOM 0 HG23 THR A 81 -2.667 11.472 -0.817 1.00 1.92 H new ATOM 983 N GLY A 82 -0.422 11.581 1.609 1.00 0.73 N ATOM 984 CA GLY A 82 -0.647 12.532 2.685 1.00 1.09 C ATOM 985 C GLY A 82 -1.944 13.301 2.570 1.00 0.92 C ATOM 986 O GLY A 82 -2.786 13.238 3.470 1.00 1.03 O ATOM 0 H GLY A 82 0.488 11.669 1.156 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -0.637 11.998 3.635 1.00 1.09 H new ATOM 0 HA3 GLY A 82 0.181 13.240 2.709 1.00 1.09 H new ATOM 990 N SER A 83 -2.114 14.023 1.474 1.00 1.03 N ATOM 991 CA SER A 83 -3.293 14.847 1.289 1.00 1.19 C ATOM 992 C SER A 83 -4.463 14.036 0.737 1.00 1.10 C ATOM 993 O SER A 83 -4.554 13.783 -0.467 1.00 1.22 O ATOM 994 CB SER A 83 -2.957 16.012 0.360 1.00 1.61 C ATOM 995 OG SER A 83 -2.123 15.584 -0.708 1.00 2.22 O ATOM 0 H SER A 83 -1.450 14.054 0.701 1.00 1.03 H new ATOM 0 HA SER A 83 -3.600 15.235 2.260 1.00 1.19 H new ATOM 0 HB2 SER A 83 -3.876 16.440 -0.040 1.00 1.61 H new ATOM 0 HB3 SER A 83 -2.457 16.800 0.924 1.00 1.61 H new ATOM 0 HG SER A 83 -2.501 14.776 -1.114 1.00 2.22 H new ATOM 1001 N ALA A 84 -5.340 13.611 1.632 1.00 1.02 N ATOM 1002 CA ALA A 84 -6.575 12.946 1.254 1.00 0.95 C ATOM 1003 C ALA A 84 -7.744 13.915 1.374 1.00 0.97 C ATOM 1004 O ALA A 84 -7.748 14.779 2.250 1.00 1.13 O ATOM 1005 CB ALA A 84 -6.801 11.719 2.123 1.00 0.97 C ATOM 0 H ALA A 84 -5.216 13.717 2.639 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.500 12.619 0.217 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -7.730 11.231 1.829 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -5.970 11.025 1.996 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -6.865 12.020 3.169 1.00 0.97 H new ATOM 1011 N ASP A 85 -8.730 13.771 0.502 1.00 0.89 N ATOM 1012 CA ASP A 85 -9.906 14.635 0.532 1.00 0.93 C ATOM 1013 C ASP A 85 -10.917 14.103 1.545 1.00 0.81 C ATOM 1014 O ASP A 85 -10.937 12.903 1.812 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.542 14.724 -0.857 1.00 1.02 C ATOM 1016 CG ASP A 85 -9.599 15.292 -1.894 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -9.347 16.514 -1.873 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -9.109 14.520 -2.746 1.00 1.92 O ATOM 0 H ASP A 85 -8.742 13.066 -0.235 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.597 15.636 0.833 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -10.864 13.731 -1.169 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -11.435 15.346 -0.804 1.00 1.02 H new ATOM 1023 N PRO A 86 -11.761 14.985 2.122 1.00 0.92 N ATOM 1024 CA PRO A 86 -12.706 14.631 3.196 1.00 0.95 C ATOM 1025 C PRO A 86 -13.470 13.330 2.944 1.00 0.85 C ATOM 1026 O PRO A 86 -13.485 12.437 3.797 1.00 0.88 O ATOM 1027 CB PRO A 86 -13.683 15.820 3.235 1.00 1.11 C ATOM 1028 CG PRO A 86 -13.305 16.705 2.091 1.00 1.30 C ATOM 1029 CD PRO A 86 -11.866 16.407 1.784 1.00 1.11 C ATOM 0 HA PRO A 86 -12.175 14.456 4.132 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -14.714 15.480 3.141 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -13.609 16.354 4.182 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -13.936 16.510 1.224 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -13.437 17.755 2.352 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -11.626 16.595 0.737 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -11.188 17.018 2.381 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.082 13.207 1.772 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.844 12.006 1.447 1.00 0.86 C ATOM 1039 C ASP A 87 -13.917 10.834 1.203 1.00 0.74 C ATOM 1040 O ASP A 87 -14.151 9.740 1.707 1.00 0.79 O ATOM 1041 CB ASP A 87 -15.737 12.219 0.225 1.00 1.02 C ATOM 1042 CG ASP A 87 -17.030 12.922 0.568 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -18.047 12.228 0.784 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -17.043 14.168 0.623 1.00 2.21 O ATOM 0 H ASP A 87 -14.067 13.915 1.038 1.00 0.82 H new ATOM 0 HA ASP A 87 -15.482 11.787 2.303 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -15.196 12.804 -0.519 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -15.961 11.254 -0.230 1.00 1.02 H new ATOM 1049 N GLU A 88 -12.854 11.083 0.448 1.00 0.68 N ATOM 1050 CA GLU A 88 -11.887 10.047 0.104 1.00 0.67 C ATOM 1051 C GLU A 88 -11.282 9.412 1.357 1.00 0.55 C ATOM 1052 O GLU A 88 -10.996 8.218 1.374 1.00 0.54 O ATOM 1053 CB GLU A 88 -10.787 10.626 -0.792 1.00 0.80 C ATOM 1054 CG GLU A 88 -11.176 10.735 -2.264 1.00 1.02 C ATOM 1055 CD GLU A 88 -12.493 11.456 -2.494 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -13.438 10.829 -3.014 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -12.593 12.655 -2.162 1.00 2.32 O ATOM 0 H GLU A 88 -12.639 12.001 0.059 1.00 0.68 H new ATOM 0 HA GLU A 88 -12.411 9.264 -0.443 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -10.517 11.616 -0.424 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -9.898 10.001 -0.707 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -10.386 11.259 -2.802 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -11.241 9.733 -2.689 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.107 10.217 2.404 1.00 0.57 N ATOM 1065 CA LYS A 89 -10.632 9.715 3.694 1.00 0.62 C ATOM 1066 C LYS A 89 -11.542 8.602 4.206 1.00 0.59 C ATOM 1067 O LYS A 89 -11.080 7.522 4.576 1.00 0.64 O ATOM 1068 CB LYS A 89 -10.591 10.843 4.729 1.00 0.77 C ATOM 1069 CG LYS A 89 -9.554 11.917 4.447 1.00 1.34 C ATOM 1070 CD LYS A 89 -9.742 13.116 5.362 1.00 1.77 C ATOM 1071 CE LYS A 89 -8.683 14.182 5.130 1.00 2.39 C ATOM 1072 NZ LYS A 89 -7.340 13.751 5.599 1.00 2.81 N ATOM 0 H LYS A 89 -11.287 11.221 2.385 1.00 0.57 H new ATOM 0 HA LYS A 89 -9.626 9.321 3.548 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -11.575 11.309 4.779 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -10.392 10.412 5.710 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -8.554 11.505 4.583 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -9.629 12.235 3.407 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -10.730 13.545 5.198 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -9.705 12.788 6.401 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -8.636 14.420 4.067 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -8.971 15.097 5.649 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -6.872 14.542 6.087 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -7.442 12.951 6.256 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -6.765 13.459 4.783 1.00 2.81 H new ATOM 1086 N THR A 90 -12.837 8.878 4.211 1.00 0.62 N ATOM 1087 CA THR A 90 -13.824 7.941 4.719 1.00 0.69 C ATOM 1088 C THR A 90 -14.055 6.795 3.732 1.00 0.62 C ATOM 1089 O THR A 90 -14.258 5.649 4.131 1.00 0.69 O ATOM 1090 CB THR A 90 -15.151 8.669 5.004 1.00 0.86 C ATOM 1091 OG1 THR A 90 -14.890 9.848 5.780 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.121 7.771 5.758 1.00 1.17 C ATOM 0 H THR A 90 -13.231 9.753 3.865 1.00 0.62 H new ATOM 0 HA THR A 90 -13.442 7.518 5.648 1.00 0.69 H new ATOM 0 HB THR A 90 -15.606 8.939 4.051 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.733 10.314 5.961 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.048 8.313 5.945 1.00 1.17 H new ATOM 0 HG22 THR A 90 -16.333 6.883 5.162 1.00 1.17 H new ATOM 0 HG23 THR A 90 -15.677 7.473 6.708 1.00 1.17 H new ATOM 1100 N LYS A 91 -13.998 7.108 2.443 1.00 0.57 N ATOM 1101 CA LYS A 91 -14.187 6.109 1.398 1.00 0.64 C ATOM 1102 C LYS A 91 -13.063 5.076 1.424 1.00 0.63 C ATOM 1103 O LYS A 91 -13.299 3.883 1.230 1.00 0.73 O ATOM 1104 CB LYS A 91 -14.270 6.791 0.031 1.00 0.73 C ATOM 1105 CG LYS A 91 -15.525 7.637 -0.137 1.00 1.06 C ATOM 1106 CD LYS A 91 -15.414 8.607 -1.303 1.00 1.51 C ATOM 1107 CE LYS A 91 -15.199 7.891 -2.624 1.00 1.83 C ATOM 1108 NZ LYS A 91 -15.090 8.850 -3.753 1.00 2.41 N ATOM 0 H LYS A 91 -13.822 8.050 2.095 1.00 0.57 H new ATOM 0 HA LYS A 91 -15.124 5.584 1.582 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -13.392 7.422 -0.108 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -14.243 6.031 -0.750 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -16.383 6.983 -0.291 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -15.710 8.195 0.781 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -16.321 9.209 -1.361 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -14.587 9.294 -1.125 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -14.292 7.288 -2.569 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -16.027 7.206 -2.806 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -14.761 8.349 -4.603 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -16.021 9.274 -3.940 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -14.412 9.599 -3.508 1.00 2.41 H new ATOM 1122 N ALA A 92 -11.843 5.536 1.691 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.703 4.640 1.812 1.00 0.67 C ATOM 1124 C ALA A 92 -10.836 3.794 3.069 1.00 0.68 C ATOM 1125 O ALA A 92 -10.369 2.660 3.120 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.397 5.423 1.832 1.00 0.74 C ATOM 0 H ALA A 92 -11.622 6.522 1.827 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.688 3.981 0.944 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.559 4.731 1.923 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.299 5.991 0.907 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.396 6.108 2.680 1.00 0.74 H new ATOM 1132 N LYS A 93 -11.492 4.355 4.078 1.00 0.64 N ATOM 1133 CA LYS A 93 -11.734 3.641 5.322 1.00 0.71 C ATOM 1134 C LYS A 93 -12.677 2.465 5.087 1.00 0.70 C ATOM 1135 O LYS A 93 -12.373 1.335 5.463 1.00 0.79 O ATOM 1136 CB LYS A 93 -12.311 4.588 6.379 1.00 0.80 C ATOM 1137 CG LYS A 93 -12.659 3.903 7.691 1.00 1.09 C ATOM 1138 CD LYS A 93 -13.154 4.898 8.727 1.00 1.56 C ATOM 1139 CE LYS A 93 -13.563 4.205 10.019 1.00 2.00 C ATOM 1140 NZ LYS A 93 -14.744 3.322 9.830 1.00 2.44 N ATOM 0 H LYS A 93 -11.866 5.304 4.057 1.00 0.64 H new ATOM 0 HA LYS A 93 -10.784 3.253 5.688 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -11.590 5.382 6.574 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -13.207 5.062 5.978 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -13.425 3.148 7.516 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -11.781 3.383 8.075 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -12.370 5.626 8.936 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -14.003 5.450 8.325 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -12.726 3.616 10.394 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -13.789 4.955 10.776 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -15.193 3.142 10.750 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -15.426 3.786 9.196 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -14.440 2.420 9.411 1.00 2.44 H new ATOM 1154 N LYS A 94 -13.811 2.737 4.442 1.00 0.66 N ATOM 1155 CA LYS A 94 -14.788 1.695 4.130 1.00 0.71 C ATOM 1156 C LYS A 94 -14.167 0.611 3.256 1.00 0.67 C ATOM 1157 O LYS A 94 -14.435 -0.579 3.437 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.017 2.286 3.425 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.109 2.783 4.365 1.00 1.36 C ATOM 1160 CD LYS A 94 -16.651 3.955 5.216 1.00 1.79 C ATOM 1161 CE LYS A 94 -17.793 4.520 6.047 1.00 2.57 C ATOM 1162 NZ LYS A 94 -18.906 5.027 5.198 1.00 2.85 N ATOM 0 H LYS A 94 -14.076 3.670 4.126 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.105 1.250 5.073 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -15.694 3.114 2.794 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -16.440 1.529 2.765 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -17.980 3.080 3.781 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -17.424 1.967 5.015 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -15.844 3.634 5.875 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -16.246 4.737 4.573 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -18.171 3.747 6.716 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -17.419 5.329 6.674 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -19.517 5.650 5.763 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -18.515 5.560 4.395 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -19.464 4.225 4.842 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.339 1.030 2.308 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.646 0.095 1.435 1.00 0.60 C ATOM 1178 C ALA A 95 -11.637 -0.737 2.223 1.00 0.57 C ATOM 1179 O ALA A 95 -11.524 -1.946 2.024 1.00 0.57 O ATOM 1180 CB ALA A 95 -11.955 0.841 0.303 1.00 0.63 C ATOM 0 H ALA A 95 -13.132 2.012 2.125 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.383 -0.584 1.005 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.441 0.128 -0.342 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.697 1.387 -0.279 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.231 1.543 0.718 1.00 0.63 H new ATOM 1186 N ALA A 96 -10.920 -0.079 3.129 1.00 0.57 N ATOM 1187 CA ALA A 96 -9.917 -0.742 3.952 1.00 0.58 C ATOM 1188 C ALA A 96 -10.552 -1.778 4.869 1.00 0.56 C ATOM 1189 O ALA A 96 -9.990 -2.850 5.086 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.148 0.279 4.772 1.00 0.64 C ATOM 0 H ALA A 96 -11.017 0.920 3.312 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.226 -1.258 3.286 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.402 -0.231 5.382 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -8.651 0.982 4.104 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -9.838 0.820 5.420 1.00 0.64 H new ATOM 1196 N GLU A 97 -11.722 -1.448 5.404 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.443 -2.355 6.286 1.00 0.63 C ATOM 1198 C GLU A 97 -12.876 -3.610 5.542 1.00 0.55 C ATOM 1199 O GLU A 97 -12.800 -4.714 6.079 1.00 0.58 O ATOM 1200 CB GLU A 97 -13.657 -1.658 6.900 1.00 0.80 C ATOM 1201 CG GLU A 97 -13.285 -0.551 7.869 1.00 1.46 C ATOM 1202 CD GLU A 97 -14.495 0.143 8.451 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -15.220 -0.485 9.251 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -14.719 1.326 8.124 1.00 2.39 O ATOM 0 H GLU A 97 -12.191 -0.557 5.241 1.00 0.57 H new ATOM 0 HA GLU A 97 -11.767 -2.649 7.089 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -14.271 -1.242 6.101 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -14.268 -2.397 7.419 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -12.686 -0.968 8.678 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -12.662 0.182 7.356 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.310 -3.442 4.299 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.714 -4.577 3.481 1.00 0.57 C ATOM 1213 C GLU A 98 -12.495 -5.408 3.093 1.00 0.52 C ATOM 1214 O GLU A 98 -12.518 -6.635 3.155 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.447 -4.102 2.222 1.00 0.66 C ATOM 1216 CG GLU A 98 -14.979 -5.243 1.371 1.00 1.40 C ATOM 1217 CD GLU A 98 -15.681 -4.766 0.118 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -16.864 -4.374 0.207 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -15.064 -4.807 -0.966 1.00 2.66 O ATOM 0 H GLU A 98 -13.391 -2.536 3.838 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.394 -5.196 4.066 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -15.277 -3.458 2.514 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -13.769 -3.496 1.622 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -14.153 -5.897 1.092 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -15.672 -5.840 1.964 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.422 -4.723 2.726 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.196 -5.378 2.293 1.00 0.49 C ATOM 1228 C ALA A 99 -9.442 -6.006 3.466 1.00 0.46 C ATOM 1229 O ALA A 99 -8.523 -6.798 3.271 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.308 -4.388 1.557 1.00 0.58 C ATOM 0 H ALA A 99 -11.376 -3.704 2.720 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.471 -6.186 1.615 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.393 -4.887 1.237 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -9.836 -4.004 0.684 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.057 -3.561 2.221 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.833 -5.648 4.683 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.168 -6.142 5.886 1.00 0.53 C ATOM 1238 C ARG A 100 -9.242 -7.668 5.972 1.00 0.51 C ATOM 1239 O ARG A 100 -8.269 -8.324 6.342 1.00 0.56 O ATOM 1240 CB ARG A 100 -9.794 -5.515 7.132 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.062 -5.852 8.422 1.00 1.22 C ATOM 1242 CD ARG A 100 -9.755 -5.236 9.625 1.00 1.52 C ATOM 1243 NE ARG A 100 -9.846 -3.780 9.517 1.00 2.17 N ATOM 1244 CZ ARG A 100 -10.805 -3.047 10.082 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -11.763 -3.630 10.788 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -10.807 -1.728 9.939 1.00 3.77 N ATOM 0 H ARG A 100 -10.611 -5.014 4.865 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.118 -5.856 5.831 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -9.817 -4.432 7.010 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -10.829 -5.848 7.214 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -9.012 -6.934 8.543 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -8.035 -5.490 8.366 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -10.756 -5.656 9.721 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -9.210 -5.499 10.532 1.00 1.52 H new ATOM 0 HE ARG A 100 -9.131 -3.295 8.975 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -11.768 -4.644 10.901 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -12.495 -3.065 11.219 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -10.074 -1.273 9.396 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -11.542 -1.169 10.372 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.392 -8.230 5.603 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.580 -9.680 5.632 1.00 0.58 C ATOM 1262 C LYS A 101 -9.859 -10.343 4.460 1.00 0.63 C ATOM 1263 O LYS A 101 -9.840 -11.568 4.334 1.00 0.81 O ATOM 1264 CB LYS A 101 -12.071 -10.039 5.617 1.00 0.74 C ATOM 1265 CG LYS A 101 -12.819 -9.528 4.395 1.00 1.37 C ATOM 1266 CD LYS A 101 -14.288 -9.931 4.420 1.00 1.81 C ATOM 1267 CE LYS A 101 -15.018 -9.341 5.618 1.00 2.63 C ATOM 1268 NZ LYS A 101 -16.472 -9.656 5.592 1.00 3.24 N ATOM 0 H LYS A 101 -11.205 -7.705 5.281 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.148 -10.056 6.559 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -12.174 -11.123 5.666 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.541 -9.634 6.513 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -12.741 -8.442 4.349 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -12.350 -9.919 3.492 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -14.771 -9.599 3.501 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -14.366 -11.018 4.447 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -14.579 -9.728 6.537 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -14.881 -8.260 5.630 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -16.933 -9.236 6.425 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -16.897 -9.265 4.727 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -16.604 -10.687 5.606 1.00 3.24 H new ATOM 1282 N TRP A 102 -9.276 -9.519 3.602 1.00 0.57 N ATOM 1283 CA TRP A 102 -8.486 -9.999 2.477 1.00 0.71 C ATOM 1284 C TRP A 102 -7.000 -9.844 2.783 1.00 0.64 C ATOM 1285 O TRP A 102 -6.159 -9.952 1.892 1.00 0.73 O ATOM 1286 CB TRP A 102 -8.837 -9.220 1.207 1.00 0.84 C ATOM 1287 CG TRP A 102 -10.252 -9.411 0.755 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -11.346 -8.703 1.159 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -10.722 -10.369 -0.195 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -12.468 -9.164 0.518 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -12.111 -10.187 -0.318 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -10.103 -11.365 -0.952 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -12.890 -10.964 -1.168 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -10.877 -12.134 -1.796 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -12.259 -11.929 -1.898 1.00 2.21 C ATOM 0 H TRP A 102 -9.336 -8.503 3.665 1.00 0.57 H new ATOM 0 HA TRP A 102 -8.713 -11.053 2.316 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -8.661 -8.159 1.382 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -8.165 -9.527 0.406 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -11.331 -7.897 1.878 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -13.414 -8.803 0.644 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -9.038 -11.530 -0.878 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -13.956 -10.809 -1.248 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -10.410 -12.907 -2.388 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -12.837 -12.548 -2.568 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.699 -9.580 4.054 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.325 -9.392 4.523 1.00 0.64 C ATOM 1308 C ASN A 103 -4.689 -8.176 3.846 1.00 0.56 C ATOM 1309 O ASN A 103 -3.520 -8.184 3.461 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.494 -10.664 4.292 1.00 0.89 C ATOM 1311 CG ASN A 103 -3.171 -10.653 5.036 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -3.018 -9.973 6.049 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -2.214 -11.430 4.553 1.00 2.00 N ATOM 0 H ASN A 103 -7.401 -9.490 4.789 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.346 -9.202 5.596 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -5.074 -11.532 4.606 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -4.303 -10.778 3.225 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -1.311 -11.479 5.024 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -2.380 -11.979 3.710 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.490 -7.130 3.694 1.00 0.46 N ATOM 1321 CA VAL A 104 -5.021 -5.872 3.138 1.00 0.45 C ATOM 1322 C VAL A 104 -4.973 -4.811 4.232 1.00 0.48 C ATOM 1323 O VAL A 104 -5.917 -4.672 5.013 1.00 0.63 O ATOM 1324 CB VAL A 104 -5.933 -5.384 1.991 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.450 -4.052 1.437 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -6.015 -6.430 0.887 1.00 0.99 C ATOM 0 H VAL A 104 -6.477 -7.131 3.951 1.00 0.46 H new ATOM 0 HA VAL A 104 -4.023 -6.037 2.733 1.00 0.45 H new ATOM 0 HB VAL A 104 -6.934 -5.235 2.397 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -6.110 -3.732 0.631 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.457 -3.304 2.230 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.436 -4.164 1.053 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.662 -6.067 0.089 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -5.018 -6.618 0.489 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.424 -7.356 1.292 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.878 -4.070 4.287 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.684 -3.070 5.323 1.00 0.48 C ATOM 1338 C ARG A 105 -3.351 -1.717 4.709 1.00 0.44 C ATOM 1339 O ARG A 105 -2.532 -1.625 3.794 1.00 0.51 O ATOM 1340 CB ARG A 105 -2.560 -3.510 6.262 1.00 0.59 C ATOM 1341 CG ARG A 105 -2.296 -2.542 7.400 1.00 1.28 C ATOM 1342 CD ARG A 105 -1.153 -3.023 8.271 1.00 1.72 C ATOM 1343 NE ARG A 105 -0.915 -2.137 9.406 1.00 2.38 N ATOM 1344 CZ ARG A 105 -0.312 -2.520 10.526 1.00 3.11 C ATOM 1345 NH1 ARG A 105 0.068 -3.781 10.681 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -0.102 -1.643 11.498 1.00 4.06 N ATOM 0 H ARG A 105 -3.107 -4.143 3.623 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.610 -2.971 5.890 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -2.809 -4.486 6.679 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -1.644 -3.634 5.684 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -2.060 -1.557 6.997 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -3.196 -2.432 8.004 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -1.373 -4.026 8.635 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -0.246 -3.094 7.671 1.00 1.72 H new ATOM 0 HE ARG A 105 -1.229 -1.169 9.335 1.00 2.38 H new ATOM 0 HH11 ARG A 105 -0.102 -4.460 9.939 1.00 3.33 H new ATOM 0 HH12 ARG A 105 0.531 -4.072 11.542 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -0.403 -0.675 11.385 1.00 4.06 H new ATOM 0 HH22 ARG A 105 0.361 -1.936 12.358 1.00 4.06 H new ATOM 1360 N VAL A 106 -3.989 -0.669 5.210 1.00 0.47 N ATOM 1361 CA VAL A 106 -3.729 0.675 4.721 1.00 0.48 C ATOM 1362 C VAL A 106 -2.833 1.437 5.692 1.00 0.50 C ATOM 1363 O VAL A 106 -2.973 1.325 6.913 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.034 1.470 4.477 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.862 0.806 3.391 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -5.844 1.608 5.758 1.00 1.58 C ATOM 0 H VAL A 106 -4.687 -0.724 5.952 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.219 0.571 3.764 1.00 0.48 H new ATOM 0 HB VAL A 106 -4.761 2.472 4.146 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.777 1.377 3.231 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -5.288 0.773 2.465 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -6.116 -0.209 3.697 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -6.755 2.171 5.554 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -6.106 0.618 6.131 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -5.253 2.134 6.508 1.00 1.58 H new ATOM 1376 N ARG A 107 -1.896 2.184 5.137 1.00 0.46 N ATOM 1377 CA ARG A 107 -0.968 2.981 5.919 1.00 0.58 C ATOM 1378 C ARG A 107 -0.805 4.345 5.267 1.00 0.49 C ATOM 1379 O ARG A 107 -0.263 4.454 4.170 1.00 0.48 O ATOM 1380 CB ARG A 107 0.387 2.264 6.014 1.00 0.74 C ATOM 1381 CG ARG A 107 1.469 3.019 6.783 1.00 1.02 C ATOM 1382 CD ARG A 107 1.123 3.185 8.256 1.00 0.90 C ATOM 1383 NE ARG A 107 0.452 4.457 8.529 1.00 1.58 N ATOM 1384 CZ ARG A 107 -0.470 4.623 9.476 1.00 2.15 C ATOM 1385 NH1 ARG A 107 -0.858 3.592 10.219 1.00 2.26 N ATOM 1386 NH2 ARG A 107 -0.996 5.824 9.693 1.00 3.00 N ATOM 0 H ARG A 107 -1.757 2.255 4.129 1.00 0.46 H new ATOM 0 HA ARG A 107 -1.358 3.113 6.928 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.235 1.295 6.489 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.749 2.070 5.004 1.00 0.74 H new ATOM 0 HG2 ARG A 107 2.415 2.485 6.692 1.00 1.02 H new ATOM 0 HG3 ARG A 107 1.613 4.001 6.333 1.00 1.02 H new ATOM 0 HD2 ARG A 107 0.480 2.363 8.571 1.00 0.90 H new ATOM 0 HD3 ARG A 107 2.035 3.123 8.850 1.00 0.90 H new ATOM 0 HE ARG A 107 0.706 5.265 7.960 1.00 1.58 H new ATOM 0 HH11 ARG A 107 -0.450 2.670 10.065 1.00 2.26 H new ATOM 0 HH12 ARG A 107 -1.564 3.722 10.943 1.00 2.26 H new ATOM 0 HH21 ARG A 107 -0.694 6.622 9.134 1.00 3.00 H new ATOM 0 HH22 ARG A 107 -1.702 5.948 10.419 1.00 3.00 H new ATOM 1400 N THR A 108 -1.301 5.377 5.927 1.00 0.56 N ATOM 1401 CA THR A 108 -1.219 6.722 5.390 1.00 0.51 C ATOM 1402 C THR A 108 0.183 7.284 5.580 1.00 0.52 C ATOM 1403 O THR A 108 0.788 7.126 6.643 1.00 0.66 O ATOM 1404 CB THR A 108 -2.249 7.649 6.061 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.534 7.009 6.083 1.00 0.86 O ATOM 1406 CG2 THR A 108 -2.354 8.974 5.321 1.00 0.68 C ATOM 0 H THR A 108 -1.764 5.309 6.834 1.00 0.56 H new ATOM 0 HA THR A 108 -1.443 6.672 4.324 1.00 0.51 H new ATOM 0 HB THR A 108 -1.917 7.848 7.080 1.00 0.59 H new ATOM 0 HG1 THR A 108 -4.187 7.601 6.512 1.00 0.86 H new ATOM 0 HG21 THR A 108 -3.088 9.610 5.816 1.00 0.68 H new ATOM 0 HG22 THR A 108 -1.384 9.470 5.324 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.666 8.793 4.292 1.00 0.68 H new ATOM 1414 N VAL A 109 0.696 7.910 4.535 1.00 0.47 N ATOM 1415 CA VAL A 109 2.034 8.474 4.543 1.00 0.55 C ATOM 1416 C VAL A 109 1.984 9.955 4.203 1.00 0.57 C ATOM 1417 O VAL A 109 1.695 10.328 3.069 1.00 0.62 O ATOM 1418 CB VAL A 109 2.943 7.759 3.524 1.00 0.67 C ATOM 1419 CG1 VAL A 109 4.330 8.382 3.502 1.00 1.51 C ATOM 1420 CG2 VAL A 109 3.025 6.273 3.835 1.00 1.05 C ATOM 0 H VAL A 109 0.196 8.042 3.656 1.00 0.47 H new ATOM 0 HA VAL A 109 2.444 8.337 5.544 1.00 0.55 H new ATOM 0 HB VAL A 109 2.505 7.880 2.533 1.00 0.67 H new ATOM 0 HG11 VAL A 109 4.952 7.860 2.775 1.00 1.51 H new ATOM 0 HG12 VAL A 109 4.252 9.433 3.224 1.00 1.51 H new ATOM 0 HG13 VAL A 109 4.781 8.300 4.491 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.671 5.784 3.106 1.00 1.05 H new ATOM 0 HG22 VAL A 109 3.435 6.133 4.835 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.028 5.836 3.787 1.00 1.05 H new ATOM 1430 N THR A 110 2.270 10.792 5.182 1.00 0.70 N ATOM 1431 CA THR A 110 2.264 12.227 4.970 1.00 0.84 C ATOM 1432 C THR A 110 3.701 12.743 4.897 1.00 0.84 C ATOM 1433 O THR A 110 3.958 13.862 4.451 1.00 0.97 O ATOM 1434 CB THR A 110 1.468 12.963 6.077 1.00 1.02 C ATOM 1435 OG1 THR A 110 1.353 14.359 5.769 1.00 1.55 O ATOM 1436 CG2 THR A 110 2.121 12.795 7.443 1.00 1.45 C ATOM 0 H THR A 110 2.509 10.504 6.131 1.00 0.70 H new ATOM 0 HA THR A 110 1.763 12.433 4.024 1.00 0.84 H new ATOM 0 HB THR A 110 0.475 12.516 6.114 1.00 1.02 H new ATOM 0 HG1 THR A 110 2.173 14.665 5.327 1.00 1.55 H new ATOM 0 HG21 THR A 110 1.535 13.325 8.194 1.00 1.45 H new ATOM 0 HG22 THR A 110 2.165 11.736 7.697 1.00 1.45 H new ATOM 0 HG23 THR A 110 3.131 13.204 7.416 1.00 1.45 H new ATOM 1444 N SER A 111 4.634 11.911 5.337 1.00 0.79 N ATOM 1445 CA SER A 111 6.049 12.223 5.254 1.00 0.85 C ATOM 1446 C SER A 111 6.824 11.006 4.747 1.00 0.76 C ATOM 1447 O SER A 111 6.640 9.893 5.236 1.00 0.69 O ATOM 1448 CB SER A 111 6.561 12.657 6.627 1.00 0.96 C ATOM 1449 OG SER A 111 5.854 13.799 7.085 1.00 1.52 O ATOM 0 H SER A 111 4.430 11.005 5.759 1.00 0.79 H new ATOM 0 HA SER A 111 6.199 13.042 4.551 1.00 0.85 H new ATOM 0 HB2 SER A 111 6.444 11.840 7.339 1.00 0.96 H new ATOM 0 HB3 SER A 111 7.626 12.881 6.570 1.00 0.96 H new ATOM 0 HG SER A 111 6.193 14.062 7.966 1.00 1.52 H new ATOM 1455 N PRO A 112 7.686 11.219 3.729 1.00 0.82 N ATOM 1456 CA PRO A 112 8.446 10.150 3.055 1.00 0.80 C ATOM 1457 C PRO A 112 9.173 9.196 4.003 1.00 0.70 C ATOM 1458 O PRO A 112 9.369 8.023 3.675 1.00 0.74 O ATOM 1459 CB PRO A 112 9.468 10.918 2.217 1.00 0.95 C ATOM 1460 CG PRO A 112 8.823 12.228 1.936 1.00 1.05 C ATOM 1461 CD PRO A 112 7.970 12.543 3.134 1.00 0.97 C ATOM 0 HA PRO A 112 7.774 9.505 2.489 1.00 0.80 H new ATOM 0 HB2 PRO A 112 10.406 11.047 2.758 1.00 0.95 H new ATOM 0 HB3 PRO A 112 9.702 10.387 1.295 1.00 0.95 H new ATOM 0 HG2 PRO A 112 9.572 13.004 1.777 1.00 1.05 H new ATOM 0 HG3 PRO A 112 8.218 12.178 1.030 1.00 1.05 H new ATOM 0 HD2 PRO A 112 8.492 13.192 3.836 1.00 0.97 H new ATOM 0 HD3 PRO A 112 7.053 13.057 2.847 1.00 0.97 H new ATOM 1469 N ASP A 113 9.568 9.697 5.169 1.00 0.67 N ATOM 1470 CA ASP A 113 10.299 8.886 6.141 1.00 0.66 C ATOM 1471 C ASP A 113 9.413 7.791 6.720 1.00 0.59 C ATOM 1472 O ASP A 113 9.910 6.751 7.152 1.00 0.63 O ATOM 1473 CB ASP A 113 10.861 9.752 7.276 1.00 0.74 C ATOM 1474 CG ASP A 113 9.783 10.366 8.150 1.00 1.73 C ATOM 1475 OD1 ASP A 113 9.475 9.797 9.220 1.00 2.48 O ATOM 1476 OD2 ASP A 113 9.255 11.433 7.784 1.00 2.44 O ATOM 0 H ASP A 113 9.396 10.658 5.465 1.00 0.67 H new ATOM 0 HA ASP A 113 11.131 8.421 5.612 1.00 0.66 H new ATOM 0 HB2 ASP A 113 11.520 9.144 7.896 1.00 0.74 H new ATOM 0 HB3 ASP A 113 11.471 10.548 6.849 1.00 0.74 H new ATOM 1481 N GLU A 114 8.103 8.017 6.712 1.00 0.57 N ATOM 1482 CA GLU A 114 7.159 7.048 7.249 1.00 0.60 C ATOM 1483 C GLU A 114 7.145 5.786 6.403 1.00 0.52 C ATOM 1484 O GLU A 114 7.401 4.695 6.902 1.00 0.52 O ATOM 1485 CB GLU A 114 5.746 7.624 7.306 1.00 0.73 C ATOM 1486 CG GLU A 114 5.614 8.879 8.148 1.00 1.18 C ATOM 1487 CD GLU A 114 4.181 9.357 8.221 1.00 1.99 C ATOM 1488 OE1 GLU A 114 3.716 10.002 7.262 1.00 2.63 O ATOM 1489 OE2 GLU A 114 3.509 9.072 9.235 1.00 2.70 O ATOM 0 H GLU A 114 7.673 8.863 6.339 1.00 0.57 H new ATOM 0 HA GLU A 114 7.485 6.806 8.261 1.00 0.60 H new ATOM 0 HB2 GLU A 114 5.416 7.846 6.291 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.072 6.864 7.701 1.00 0.73 H new ATOM 0 HG2 GLU A 114 5.983 8.682 9.154 1.00 1.18 H new ATOM 0 HG3 GLU A 114 6.239 9.667 7.727 1.00 1.18 H new ATOM 1496 N ALA A 115 6.859 5.949 5.114 1.00 0.55 N ATOM 1497 CA ALA A 115 6.726 4.816 4.202 1.00 0.58 C ATOM 1498 C ALA A 115 7.976 3.950 4.200 1.00 0.51 C ATOM 1499 O ALA A 115 7.896 2.738 4.379 1.00 0.51 O ATOM 1500 CB ALA A 115 6.431 5.299 2.792 1.00 0.70 C ATOM 0 H ALA A 115 6.714 6.859 4.676 1.00 0.55 H new ATOM 0 HA ALA A 115 5.893 4.209 4.555 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.335 4.441 2.126 1.00 0.70 H new ATOM 0 HB2 ALA A 115 5.500 5.866 2.789 1.00 0.70 H new ATOM 0 HB3 ALA A 115 7.246 5.936 2.448 1.00 0.70 H new ATOM 1506 N LYS A 116 9.128 4.585 4.023 1.00 0.51 N ATOM 1507 CA LYS A 116 10.397 3.869 3.954 1.00 0.51 C ATOM 1508 C LYS A 116 10.659 3.103 5.254 1.00 0.44 C ATOM 1509 O LYS A 116 11.243 2.018 5.246 1.00 0.49 O ATOM 1510 CB LYS A 116 11.529 4.860 3.670 1.00 0.64 C ATOM 1511 CG LYS A 116 12.875 4.209 3.401 1.00 1.38 C ATOM 1512 CD LYS A 116 13.867 5.219 2.849 1.00 1.43 C ATOM 1513 CE LYS A 116 15.210 4.577 2.543 1.00 1.80 C ATOM 1514 NZ LYS A 116 16.099 5.499 1.788 1.00 2.33 N ATOM 0 H LYS A 116 9.210 5.597 3.924 1.00 0.51 H new ATOM 0 HA LYS A 116 10.351 3.142 3.144 1.00 0.51 H new ATOM 0 HB2 LYS A 116 11.255 5.470 2.809 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.628 5.535 4.520 1.00 0.64 H new ATOM 0 HG2 LYS A 116 13.265 3.777 4.323 1.00 1.38 H new ATOM 0 HG3 LYS A 116 12.752 3.390 2.692 1.00 1.38 H new ATOM 0 HD2 LYS A 116 13.463 5.668 1.942 1.00 1.43 H new ATOM 0 HD3 LYS A 116 14.005 6.025 3.569 1.00 1.43 H new ATOM 0 HE2 LYS A 116 15.695 4.285 3.475 1.00 1.80 H new ATOM 0 HE3 LYS A 116 15.055 3.666 1.965 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 17.085 5.178 1.873 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 15.822 5.505 0.786 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 16.014 6.460 2.177 1.00 2.33 H new ATOM 1528 N ARG A 117 10.193 3.667 6.357 1.00 0.42 N ATOM 1529 CA ARG A 117 10.347 3.051 7.667 1.00 0.44 C ATOM 1530 C ARG A 117 9.363 1.896 7.843 1.00 0.43 C ATOM 1531 O ARG A 117 9.747 0.788 8.229 1.00 0.50 O ATOM 1532 CB ARG A 117 10.129 4.102 8.755 1.00 0.57 C ATOM 1533 CG ARG A 117 10.247 3.573 10.173 1.00 0.90 C ATOM 1534 CD ARG A 117 10.013 4.680 11.187 1.00 1.39 C ATOM 1535 NE ARG A 117 11.037 5.723 11.111 1.00 1.99 N ATOM 1536 CZ ARG A 117 10.807 6.988 10.747 1.00 2.83 C ATOM 1537 NH1 ARG A 117 9.588 7.380 10.394 1.00 3.30 N ATOM 1538 NH2 ARG A 117 11.804 7.863 10.741 1.00 3.61 N ATOM 0 H ARG A 117 9.700 4.560 6.371 1.00 0.42 H new ATOM 0 HA ARG A 117 11.357 2.650 7.749 1.00 0.44 H new ATOM 0 HB2 ARG A 117 10.854 4.904 8.618 1.00 0.57 H new ATOM 0 HB3 ARG A 117 9.140 4.541 8.626 1.00 0.57 H new ATOM 0 HG2 ARG A 117 9.523 2.773 10.328 1.00 0.90 H new ATOM 0 HG3 ARG A 117 11.236 3.141 10.323 1.00 0.90 H new ATOM 0 HD2 ARG A 117 9.032 5.123 11.019 1.00 1.39 H new ATOM 0 HD3 ARG A 117 10.003 4.255 12.191 1.00 1.39 H new ATOM 0 HE ARG A 117 11.994 5.466 11.353 1.00 1.99 H new ATOM 0 HH11 ARG A 117 8.816 6.713 10.399 1.00 3.30 H new ATOM 0 HH12 ARG A 117 9.424 8.348 10.118 1.00 3.30 H new ATOM 0 HH21 ARG A 117 12.742 7.569 11.014 1.00 3.61 H new ATOM 0 HH22 ARG A 117 11.633 8.830 10.464 1.00 3.61 H new ATOM 1552 N TRP A 118 8.094 2.160 7.550 1.00 0.43 N ATOM 1553 CA TRP A 118 7.039 1.170 7.732 1.00 0.51 C ATOM 1554 C TRP A 118 7.235 -0.032 6.817 1.00 0.51 C ATOM 1555 O TRP A 118 7.146 -1.176 7.265 1.00 0.60 O ATOM 1556 CB TRP A 118 5.658 1.790 7.489 1.00 0.59 C ATOM 1557 CG TRP A 118 5.222 2.735 8.572 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.865 4.045 8.426 1.00 0.98 C ATOM 1559 CD2 TRP A 118 5.100 2.438 9.967 1.00 1.69 C ATOM 1560 NE1 TRP A 118 4.529 4.581 9.646 1.00 1.51 N ATOM 1561 CE2 TRP A 118 4.665 3.614 10.607 1.00 2.00 C ATOM 1562 CE3 TRP A 118 5.315 1.293 10.737 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 4.442 3.675 11.980 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 5.094 1.355 12.099 1.00 3.18 C ATOM 1565 CH2 TRP A 118 4.661 2.538 12.708 1.00 3.39 C ATOM 0 H TRP A 118 7.770 3.055 7.184 1.00 0.43 H new ATOM 0 HA TRP A 118 7.096 0.826 8.765 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.671 2.322 6.538 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.922 0.991 7.398 1.00 0.59 H new ATOM 0 HD1 TRP A 118 4.849 4.581 7.489 1.00 0.98 H new ATOM 0 HE1 TRP A 118 4.228 5.542 9.809 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.648 0.375 10.276 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 4.108 4.587 12.453 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 5.258 0.476 12.704 1.00 3.18 H new ATOM 0 HH2 TRP A 118 4.496 2.554 13.775 1.00 3.39 H new ATOM 1576 N ILE A 119 7.519 0.227 5.541 1.00 0.48 N ATOM 1577 CA ILE A 119 7.705 -0.842 4.563 1.00 0.54 C ATOM 1578 C ILE A 119 8.790 -1.811 5.022 1.00 0.53 C ATOM 1579 O ILE A 119 8.648 -3.028 4.884 1.00 0.58 O ATOM 1580 CB ILE A 119 8.056 -0.281 3.162 1.00 0.60 C ATOM 1581 CG1 ILE A 119 6.860 0.487 2.589 1.00 0.67 C ATOM 1582 CG2 ILE A 119 8.474 -1.402 2.215 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.132 1.131 1.245 1.00 0.81 C ATOM 0 H ILE A 119 7.625 1.168 5.161 1.00 0.48 H new ATOM 0 HA ILE A 119 6.759 -1.377 4.486 1.00 0.54 H new ATOM 0 HB ILE A 119 8.898 0.403 3.266 1.00 0.60 H new ATOM 0 HG12 ILE A 119 6.016 -0.196 2.490 1.00 0.67 H new ATOM 0 HG13 ILE A 119 6.563 1.260 3.298 1.00 0.67 H new ATOM 0 HG21 ILE A 119 8.715 -0.982 1.238 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.350 -1.911 2.618 1.00 0.69 H new ATOM 0 HG23 ILE A 119 7.656 -2.115 2.112 1.00 0.69 H new ATOM 0 HD11 ILE A 119 6.239 1.655 0.905 1.00 0.81 H new ATOM 0 HD12 ILE A 119 7.955 1.840 1.341 1.00 0.81 H new ATOM 0 HD13 ILE A 119 7.399 0.362 0.520 1.00 0.81 H new ATOM 1595 N LYS A 120 9.859 -1.274 5.598 1.00 0.52 N ATOM 1596 CA LYS A 120 10.939 -2.108 6.095 1.00 0.57 C ATOM 1597 C LYS A 120 10.449 -2.987 7.239 1.00 0.56 C ATOM 1598 O LYS A 120 10.704 -4.187 7.252 1.00 0.61 O ATOM 1599 CB LYS A 120 12.124 -1.263 6.565 1.00 0.66 C ATOM 1600 CG LYS A 120 13.332 -2.103 6.952 1.00 1.08 C ATOM 1601 CD LYS A 120 14.470 -1.248 7.478 1.00 1.68 C ATOM 1602 CE LYS A 120 15.681 -2.094 7.843 1.00 2.25 C ATOM 1603 NZ LYS A 120 15.356 -3.156 8.837 1.00 2.76 N ATOM 0 H LYS A 120 9.998 -0.272 5.730 1.00 0.52 H new ATOM 0 HA LYS A 120 11.273 -2.740 5.272 1.00 0.57 H new ATOM 0 HB2 LYS A 120 12.408 -0.571 5.772 1.00 0.66 H new ATOM 0 HB3 LYS A 120 11.818 -0.660 7.420 1.00 0.66 H new ATOM 0 HG2 LYS A 120 13.041 -2.828 7.712 1.00 1.08 H new ATOM 0 HG3 LYS A 120 13.674 -2.669 6.085 1.00 1.08 H new ATOM 0 HD2 LYS A 120 14.752 -0.513 6.724 1.00 1.68 H new ATOM 0 HD3 LYS A 120 14.135 -0.694 8.355 1.00 1.68 H new ATOM 0 HE2 LYS A 120 16.083 -2.556 6.941 1.00 2.25 H new ATOM 0 HE3 LYS A 120 16.462 -1.450 8.247 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 16.222 -3.438 9.339 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 14.663 -2.791 9.521 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 14.956 -3.981 8.346 1.00 2.76 H new ATOM 1617 N GLU A 121 9.717 -2.393 8.179 1.00 0.56 N ATOM 1618 CA GLU A 121 9.253 -3.119 9.358 1.00 0.63 C ATOM 1619 C GLU A 121 8.303 -4.247 8.963 1.00 0.67 C ATOM 1620 O GLU A 121 8.349 -5.335 9.537 1.00 0.79 O ATOM 1621 CB GLU A 121 8.567 -2.176 10.351 1.00 0.71 C ATOM 1622 CG GLU A 121 8.246 -2.842 11.682 1.00 1.18 C ATOM 1623 CD GLU A 121 7.621 -1.899 12.688 1.00 1.87 C ATOM 1624 OE1 GLU A 121 8.335 -1.003 13.192 1.00 2.50 O ATOM 1625 OE2 GLU A 121 6.422 -2.064 13.002 1.00 2.57 O ATOM 0 H GLU A 121 9.433 -1.414 8.147 1.00 0.56 H new ATOM 0 HA GLU A 121 10.127 -3.553 9.843 1.00 0.63 H new ATOM 0 HB2 GLU A 121 9.210 -1.314 10.528 1.00 0.71 H new ATOM 0 HB3 GLU A 121 7.645 -1.800 9.908 1.00 0.71 H new ATOM 0 HG2 GLU A 121 7.568 -3.678 11.508 1.00 1.18 H new ATOM 0 HG3 GLU A 121 9.162 -3.257 12.103 1.00 1.18 H new ATOM 1632 N PHE A 122 7.454 -3.996 7.972 1.00 0.65 N ATOM 1633 CA PHE A 122 6.535 -5.019 7.480 1.00 0.76 C ATOM 1634 C PHE A 122 7.296 -6.124 6.755 1.00 0.78 C ATOM 1635 O PHE A 122 6.845 -7.268 6.697 1.00 0.89 O ATOM 1636 CB PHE A 122 5.475 -4.408 6.558 1.00 0.86 C ATOM 1637 CG PHE A 122 4.517 -3.492 7.265 1.00 1.36 C ATOM 1638 CD1 PHE A 122 3.782 -3.941 8.351 1.00 2.24 C ATOM 1639 CD2 PHE A 122 4.344 -2.185 6.841 1.00 1.98 C ATOM 1640 CE1 PHE A 122 2.896 -3.104 8.999 1.00 2.95 C ATOM 1641 CE2 PHE A 122 3.460 -1.342 7.486 1.00 2.74 C ATOM 1642 CZ PHE A 122 2.735 -1.802 8.566 1.00 3.02 C ATOM 0 H PHE A 122 7.382 -3.097 7.495 1.00 0.65 H new ATOM 0 HA PHE A 122 6.028 -5.455 8.341 1.00 0.76 H new ATOM 0 HB2 PHE A 122 5.974 -3.854 5.762 1.00 0.86 H new ATOM 0 HB3 PHE A 122 4.912 -5.212 6.083 1.00 0.86 H new ATOM 0 HD1 PHE A 122 3.904 -4.958 8.694 1.00 2.24 H new ATOM 0 HD2 PHE A 122 4.908 -1.820 5.995 1.00 1.98 H new ATOM 0 HE1 PHE A 122 2.329 -3.467 9.844 1.00 2.95 H new ATOM 0 HE2 PHE A 122 3.337 -0.325 7.145 1.00 2.74 H new ATOM 0 HZ PHE A 122 2.043 -1.145 9.072 1.00 3.02 H new ATOM 1652 N SER A 123 8.460 -5.781 6.219 1.00 0.72 N ATOM 1653 CA SER A 123 9.311 -6.754 5.542 1.00 0.79 C ATOM 1654 C SER A 123 10.162 -7.519 6.556 1.00 0.81 C ATOM 1655 O SER A 123 10.803 -8.518 6.223 1.00 1.02 O ATOM 1656 CB SER A 123 10.206 -6.050 4.522 1.00 0.82 C ATOM 1657 OG SER A 123 9.432 -5.294 3.606 1.00 1.40 O ATOM 0 H SER A 123 8.838 -4.834 6.239 1.00 0.72 H new ATOM 0 HA SER A 123 8.675 -7.468 5.018 1.00 0.79 H new ATOM 0 HB2 SER A 123 10.908 -5.395 5.039 1.00 0.82 H new ATOM 0 HB3 SER A 123 10.798 -6.788 3.981 1.00 0.82 H new ATOM 0 HG SER A 123 9.077 -4.499 4.056 1.00 1.40 H new ATOM 1663 N GLU A 124 10.165 -7.039 7.794 1.00 0.80 N ATOM 1664 CA GLU A 124 10.886 -7.698 8.874 1.00 1.00 C ATOM 1665 C GLU A 124 10.007 -8.763 9.523 1.00 1.48 C ATOM 1666 O GLU A 124 10.458 -9.519 10.384 1.00 2.09 O ATOM 1667 CB GLU A 124 11.320 -6.682 9.936 1.00 1.88 C ATOM 1668 CG GLU A 124 12.248 -5.592 9.422 1.00 2.61 C ATOM 1669 CD GLU A 124 13.547 -6.127 8.857 1.00 3.54 C ATOM 1670 OE1 GLU A 124 14.000 -7.204 9.305 1.00 4.12 O ATOM 1671 OE2 GLU A 124 14.134 -5.458 7.978 1.00 4.14 O ATOM 0 H GLU A 124 9.673 -6.191 8.075 1.00 0.80 H new ATOM 0 HA GLU A 124 11.773 -8.168 8.450 1.00 1.00 H new ATOM 0 HB2 GLU A 124 10.431 -6.215 10.359 1.00 1.88 H new ATOM 0 HB3 GLU A 124 11.818 -7.213 10.747 1.00 1.88 H new ATOM 0 HG2 GLU A 124 11.733 -5.020 8.650 1.00 2.61 H new ATOM 0 HG3 GLU A 124 12.471 -4.901 10.235 1.00 2.61 H new