USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 LYS NZ :NH3+ -179:sc= 0.981 (180deg=0) USER MOD Set 1.2: A 103 ASN : amide:sc= -1.75! C(o=-0.77!,f=-9.2!) USER MOD Set 2.1: A 30 ASN : amide:sc= 0.597! C(o=2.2!,f=-4.1!) USER MOD Set 2.2: A 81 THR OG1 : rot 46:sc= 1.63 USER MOD Single : A 21 MET CE :methyl 155:sc= -0.3 (180deg=-1.84) USER MOD Single : A 29 SER OG : rot 78:sc= 1.25 USER MOD Single : A 32 LYS NZ :NH3+ -117:sc= -0.489 (180deg=-2.11!) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -0.145 (180deg=-0.679) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 1.3 (180deg=0.986) USER MOD Single : A 41 MET CE :methyl -108:sc= -0.364 (180deg=-1.83!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.008) USER MOD Single : A 51 THR OG1 : rot 43:sc= 0.228 USER MOD Single : A 55 SER OG : rot 134:sc= 0.795 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 73:sc= 0.293 USER MOD Single : A 91 LYS NZ :NH3+ 139:sc= 1.02 (180deg=0.319) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc=-0.00467 (180deg=-0.077) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.105 (180deg=-0.481) USER MOD Single : A 101 LYS NZ :NH3+ -171:sc=-0.00255 (180deg=-0.103) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.923 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -170:sc= -0.137 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 4.719 -17.364 0.487 1.00 1.82 N ATOM 2 CA MET A 21 3.877 -16.217 0.892 1.00 1.48 C ATOM 3 C MET A 21 4.089 -15.041 -0.053 1.00 1.22 C ATOM 4 O MET A 21 5.197 -14.811 -0.535 1.00 1.47 O ATOM 5 CB MET A 21 4.205 -15.802 2.330 1.00 1.86 C ATOM 6 CG MET A 21 3.389 -14.622 2.832 1.00 1.95 C ATOM 7 SD MET A 21 3.755 -14.202 4.546 1.00 2.87 S ATOM 8 CE MET A 21 5.513 -13.868 4.442 1.00 3.09 C ATOM 0 HA MET A 21 2.831 -16.520 0.842 1.00 1.48 H new ATOM 0 HB2 MET A 21 4.039 -16.653 2.990 1.00 1.86 H new ATOM 0 HB3 MET A 21 5.264 -15.552 2.393 1.00 1.86 H new ATOM 0 HG2 MET A 21 3.584 -13.755 2.200 1.00 1.95 H new ATOM 0 HG3 MET A 21 2.328 -14.853 2.737 1.00 1.95 H new ATOM 0 HE1 MET A 21 5.804 -13.195 5.248 1.00 3.09 H new ATOM 0 HE2 MET A 21 6.067 -14.803 4.532 1.00 3.09 H new ATOM 0 HE3 MET A 21 5.739 -13.403 3.482 1.00 3.09 H new ATOM 17 N ARG A 22 3.022 -14.309 -0.329 1.00 0.88 N ATOM 18 CA ARG A 22 3.101 -13.141 -1.190 1.00 0.73 C ATOM 19 C ARG A 22 3.009 -11.864 -0.354 1.00 0.55 C ATOM 20 O ARG A 22 2.104 -11.715 0.465 1.00 0.56 O ATOM 21 CB ARG A 22 1.984 -13.195 -2.242 1.00 0.86 C ATOM 22 CG ARG A 22 1.953 -12.005 -3.192 1.00 1.33 C ATOM 23 CD ARG A 22 3.294 -11.784 -3.877 1.00 1.33 C ATOM 24 NE ARG A 22 3.725 -12.939 -4.661 1.00 1.91 N ATOM 25 CZ ARG A 22 4.863 -12.982 -5.354 1.00 2.43 C ATOM 26 NH1 ARG A 22 5.690 -11.944 -5.350 1.00 2.62 N ATOM 27 NH2 ARG A 22 5.178 -14.061 -6.053 1.00 3.31 N ATOM 0 H ARG A 22 2.088 -14.504 0.032 1.00 0.88 H new ATOM 0 HA ARG A 22 4.060 -13.137 -1.707 1.00 0.73 H new ATOM 0 HB2 ARG A 22 2.097 -14.108 -2.827 1.00 0.86 H new ATOM 0 HB3 ARG A 22 1.024 -13.261 -1.731 1.00 0.86 H new ATOM 0 HG2 ARG A 22 1.183 -12.164 -3.947 1.00 1.33 H new ATOM 0 HG3 ARG A 22 1.677 -11.107 -2.639 1.00 1.33 H new ATOM 0 HD2 ARG A 22 3.225 -10.913 -4.529 1.00 1.33 H new ATOM 0 HD3 ARG A 22 4.049 -11.559 -3.124 1.00 1.33 H new ATOM 0 HE ARG A 22 3.120 -13.760 -4.679 1.00 1.91 H new ATOM 0 HH11 ARG A 22 5.456 -11.108 -4.815 1.00 2.62 H new ATOM 0 HH12 ARG A 22 6.559 -11.983 -5.882 1.00 2.62 H new ATOM 0 HH21 ARG A 22 4.549 -14.864 -6.063 1.00 3.31 H new ATOM 0 HH22 ARG A 22 6.050 -14.090 -6.582 1.00 3.31 H new ATOM 41 N LEU A 23 3.964 -10.965 -0.544 1.00 0.51 N ATOM 42 CA LEU A 23 3.975 -9.688 0.163 1.00 0.43 C ATOM 43 C LEU A 23 3.711 -8.552 -0.819 1.00 0.37 C ATOM 44 O LEU A 23 4.436 -8.394 -1.806 1.00 0.40 O ATOM 45 CB LEU A 23 5.316 -9.480 0.868 1.00 0.58 C ATOM 46 CG LEU A 23 5.659 -10.519 1.939 1.00 1.05 C ATOM 47 CD1 LEU A 23 7.044 -10.263 2.508 1.00 1.76 C ATOM 48 CD2 LEU A 23 4.620 -10.503 3.049 1.00 1.55 C ATOM 0 H LEU A 23 4.746 -11.096 -1.185 1.00 0.51 H new ATOM 0 HA LEU A 23 3.188 -9.695 0.917 1.00 0.43 H new ATOM 0 HB2 LEU A 23 6.107 -9.481 0.118 1.00 0.58 H new ATOM 0 HB3 LEU A 23 5.316 -8.493 1.330 1.00 0.58 H new ATOM 0 HG LEU A 23 5.654 -11.505 1.473 1.00 1.05 H new ATOM 0 HD11 LEU A 23 7.269 -11.012 3.267 1.00 1.76 H new ATOM 0 HD12 LEU A 23 7.783 -10.323 1.709 1.00 1.76 H new ATOM 0 HD13 LEU A 23 7.075 -9.270 2.957 1.00 1.76 H new ATOM 0 HD21 LEU A 23 4.880 -11.248 3.801 1.00 1.55 H new ATOM 0 HD22 LEU A 23 4.595 -9.515 3.510 1.00 1.55 H new ATOM 0 HD23 LEU A 23 3.639 -10.734 2.633 1.00 1.55 H new ATOM 60 N VAL A 24 2.673 -7.770 -0.555 1.00 0.35 N ATOM 61 CA VAL A 24 2.222 -6.757 -1.502 1.00 0.37 C ATOM 62 C VAL A 24 2.127 -5.379 -0.850 1.00 0.38 C ATOM 63 O VAL A 24 1.652 -5.251 0.277 1.00 0.42 O ATOM 64 CB VAL A 24 0.841 -7.132 -2.080 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.437 -6.179 -3.191 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.835 -8.568 -2.580 1.00 0.45 C ATOM 0 H VAL A 24 2.127 -7.817 0.306 1.00 0.35 H new ATOM 0 HA VAL A 24 2.961 -6.717 -2.302 1.00 0.37 H new ATOM 0 HB VAL A 24 0.109 -7.046 -1.277 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.540 -6.467 -3.580 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.387 -5.163 -2.799 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.174 -6.222 -3.993 1.00 0.46 H new ATOM 0 HG21 VAL A 24 -0.149 -8.809 -2.983 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.586 -8.684 -3.362 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.064 -9.242 -1.754 1.00 0.45 H new ATOM 76 N VAL A 25 2.583 -4.357 -1.566 1.00 0.39 N ATOM 77 CA VAL A 25 2.491 -2.980 -1.105 1.00 0.41 C ATOM 78 C VAL A 25 1.935 -2.088 -2.216 1.00 0.39 C ATOM 79 O VAL A 25 2.566 -1.909 -3.253 1.00 0.42 O ATOM 80 CB VAL A 25 3.863 -2.414 -0.671 1.00 0.46 C ATOM 81 CG1 VAL A 25 3.683 -1.080 0.036 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.610 -3.396 0.223 1.00 0.52 C ATOM 0 H VAL A 25 3.025 -4.461 -2.479 1.00 0.39 H new ATOM 0 HA VAL A 25 1.826 -2.983 -0.241 1.00 0.41 H new ATOM 0 HB VAL A 25 4.463 -2.259 -1.568 1.00 0.46 H new ATOM 0 HG11 VAL A 25 4.657 -0.693 0.336 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.204 -0.372 -0.640 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.059 -1.218 0.919 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.570 -2.968 0.511 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.019 -3.596 1.117 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.775 -4.328 -0.318 1.00 0.52 H new ATOM 92 N LEU A 26 0.757 -1.534 -2.002 1.00 0.40 N ATOM 93 CA LEU A 26 0.171 -0.612 -2.966 1.00 0.38 C ATOM 94 C LEU A 26 0.268 0.796 -2.405 1.00 0.37 C ATOM 95 O LEU A 26 -0.377 1.114 -1.410 1.00 0.48 O ATOM 96 CB LEU A 26 -1.303 -0.941 -3.267 1.00 0.46 C ATOM 97 CG LEU A 26 -1.625 -2.365 -3.756 1.00 0.56 C ATOM 98 CD1 LEU A 26 -0.733 -2.791 -4.913 1.00 1.15 C ATOM 99 CD2 LEU A 26 -1.531 -3.358 -2.619 1.00 1.33 C ATOM 0 H LEU A 26 0.186 -1.703 -1.174 1.00 0.40 H new ATOM 0 HA LEU A 26 0.721 -0.702 -3.902 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.881 -0.757 -2.361 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.658 -0.238 -4.020 1.00 0.46 H new ATOM 0 HG LEU A 26 -2.650 -2.351 -4.126 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -0.998 -3.802 -5.223 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -0.871 -2.107 -5.750 1.00 1.15 H new ATOM 0 HD13 LEU A 26 0.310 -2.770 -4.596 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -1.763 -4.357 -2.988 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -0.521 -3.348 -2.209 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -2.242 -3.086 -1.839 1.00 1.33 H new ATOM 111 N ILE A 27 1.079 1.635 -3.021 1.00 0.33 N ATOM 112 CA ILE A 27 1.308 2.969 -2.490 1.00 0.36 C ATOM 113 C ILE A 27 0.694 4.024 -3.392 1.00 0.39 C ATOM 114 O ILE A 27 0.645 3.867 -4.610 1.00 0.40 O ATOM 115 CB ILE A 27 2.814 3.272 -2.304 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.541 3.261 -3.639 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.447 2.246 -1.381 1.00 1.32 C ATOM 118 CD1 ILE A 27 4.909 3.911 -3.590 1.00 1.36 C ATOM 0 H ILE A 27 1.586 1.422 -3.880 1.00 0.33 H new ATOM 0 HA ILE A 27 0.829 3.000 -1.512 1.00 0.36 H new ATOM 0 HB ILE A 27 2.902 4.265 -1.863 1.00 0.44 H new ATOM 0 HG12 ILE A 27 3.650 2.230 -3.976 1.00 0.93 H new ATOM 0 HG13 ILE A 27 2.930 3.776 -4.380 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.506 2.471 -1.259 1.00 1.32 H new ATOM 0 HG22 ILE A 27 2.955 2.278 -0.409 1.00 1.32 H new ATOM 0 HG23 ILE A 27 3.335 1.251 -1.812 1.00 1.32 H new ATOM 0 HD11 ILE A 27 5.369 3.866 -4.577 1.00 1.36 H new ATOM 0 HD12 ILE A 27 4.806 4.952 -3.284 1.00 1.36 H new ATOM 0 HD13 ILE A 27 5.537 3.383 -2.873 1.00 1.36 H new ATOM 130 N VAL A 28 0.224 5.095 -2.785 1.00 0.48 N ATOM 131 CA VAL A 28 -0.321 6.217 -3.523 1.00 0.56 C ATOM 132 C VAL A 28 0.810 7.184 -3.861 1.00 0.86 C ATOM 133 O VAL A 28 1.758 7.331 -3.091 1.00 1.37 O ATOM 134 CB VAL A 28 -1.425 6.930 -2.705 1.00 0.77 C ATOM 135 CG1 VAL A 28 -1.947 8.161 -3.429 1.00 1.12 C ATOM 136 CG2 VAL A 28 -2.568 5.969 -2.415 1.00 1.17 C ATOM 0 H VAL A 28 0.209 5.212 -1.772 1.00 0.48 H new ATOM 0 HA VAL A 28 -0.777 5.855 -4.445 1.00 0.56 H new ATOM 0 HB VAL A 28 -0.984 7.257 -1.764 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -2.721 8.637 -2.826 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -1.129 8.863 -3.589 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -2.366 7.867 -4.391 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -3.338 6.483 -1.839 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -2.993 5.615 -3.354 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.193 5.120 -1.843 1.00 1.17 H new ATOM 146 N SER A 29 0.708 7.818 -5.024 1.00 0.85 N ATOM 147 CA SER A 29 1.790 8.631 -5.567 1.00 1.25 C ATOM 148 C SER A 29 2.193 9.773 -4.634 1.00 0.83 C ATOM 149 O SER A 29 1.422 10.702 -4.380 1.00 1.53 O ATOM 150 CB SER A 29 1.386 9.183 -6.934 1.00 2.38 C ATOM 151 OG SER A 29 1.067 8.129 -7.826 1.00 3.23 O ATOM 0 H SER A 29 -0.123 7.783 -5.614 1.00 0.85 H new ATOM 0 HA SER A 29 2.662 7.985 -5.671 1.00 1.25 H new ATOM 0 HB2 SER A 29 0.528 9.846 -6.825 1.00 2.38 H new ATOM 0 HB3 SER A 29 2.200 9.780 -7.345 1.00 2.38 H new ATOM 0 HG SER A 29 0.171 7.788 -7.622 1.00 3.23 H new ATOM 157 N ASN A 30 3.409 9.666 -4.121 1.00 1.19 N ATOM 158 CA ASN A 30 4.023 10.700 -3.297 1.00 1.67 C ATOM 159 C ASN A 30 5.199 11.296 -4.073 1.00 1.19 C ATOM 160 O ASN A 30 5.327 11.035 -5.273 1.00 1.38 O ATOM 161 CB ASN A 30 4.477 10.120 -1.946 1.00 2.93 C ATOM 162 CG ASN A 30 4.786 11.185 -0.899 1.00 3.86 C ATOM 163 OD1 ASN A 30 5.917 11.653 -0.786 1.00 4.32 O ATOM 164 ND2 ASN A 30 3.790 11.567 -0.119 1.00 4.58 N ATOM 0 H ASN A 30 4.005 8.851 -4.266 1.00 1.19 H new ATOM 0 HA ASN A 30 3.299 11.485 -3.078 1.00 1.67 H new ATOM 0 HB2 ASN A 30 3.698 9.460 -1.563 1.00 2.93 H new ATOM 0 HB3 ASN A 30 5.365 9.508 -2.103 1.00 2.93 H new ATOM 0 HD21 ASN A 30 3.948 12.270 0.603 1.00 4.58 H new ATOM 0 HD22 ASN A 30 2.863 11.159 -0.239 1.00 4.58 H new ATOM 171 N ASP A 31 6.016 12.115 -3.417 1.00 1.45 N ATOM 172 CA ASP A 31 7.165 12.768 -4.052 1.00 1.18 C ATOM 173 C ASP A 31 7.966 11.775 -4.897 1.00 0.94 C ATOM 174 O ASP A 31 8.158 10.619 -4.511 1.00 1.28 O ATOM 175 CB ASP A 31 8.071 13.372 -2.977 1.00 1.61 C ATOM 176 CG ASP A 31 9.127 14.292 -3.551 1.00 1.74 C ATOM 177 OD1 ASP A 31 8.860 15.505 -3.663 1.00 2.03 O ATOM 178 OD2 ASP A 31 10.227 13.813 -3.897 1.00 2.29 O ATOM 0 H ASP A 31 5.903 12.347 -2.430 1.00 1.45 H new ATOM 0 HA ASP A 31 6.792 13.554 -4.708 1.00 1.18 H new ATOM 0 HB2 ASP A 31 7.461 13.926 -2.264 1.00 1.61 H new ATOM 0 HB3 ASP A 31 8.557 12.568 -2.424 1.00 1.61 H new ATOM 183 N LYS A 32 8.425 12.252 -6.057 1.00 0.79 N ATOM 184 CA LYS A 32 9.050 11.401 -7.071 1.00 0.82 C ATOM 185 C LYS A 32 10.261 10.652 -6.531 1.00 0.66 C ATOM 186 O LYS A 32 10.600 9.578 -7.031 1.00 0.68 O ATOM 187 CB LYS A 32 9.470 12.232 -8.284 1.00 1.24 C ATOM 188 CG LYS A 32 8.328 12.982 -8.946 1.00 1.77 C ATOM 189 CD LYS A 32 8.773 13.709 -10.213 1.00 2.22 C ATOM 190 CE LYS A 32 9.816 14.789 -9.934 1.00 3.17 C ATOM 191 NZ LYS A 32 11.205 14.250 -9.888 1.00 3.77 N ATOM 0 H LYS A 32 8.374 13.237 -6.319 1.00 0.79 H new ATOM 0 HA LYS A 32 8.302 10.665 -7.366 1.00 0.82 H new ATOM 0 HB2 LYS A 32 10.230 12.949 -7.974 1.00 1.24 H new ATOM 0 HB3 LYS A 32 9.933 11.574 -9.019 1.00 1.24 H new ATOM 0 HG2 LYS A 32 7.530 12.282 -9.192 1.00 1.77 H new ATOM 0 HG3 LYS A 32 7.913 13.703 -8.242 1.00 1.77 H new ATOM 0 HD2 LYS A 32 9.184 12.986 -10.917 1.00 2.22 H new ATOM 0 HD3 LYS A 32 7.905 14.162 -10.691 1.00 2.22 H new ATOM 0 HE2 LYS A 32 9.754 15.556 -10.706 1.00 3.17 H new ATOM 0 HE3 LYS A 32 9.587 15.273 -8.985 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 11.601 14.392 -8.937 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 11.191 13.234 -10.109 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 11.794 14.748 -10.586 1.00 3.77 H new ATOM 205 N LYS A 33 10.918 11.223 -5.526 1.00 0.71 N ATOM 206 CA LYS A 33 12.050 10.562 -4.890 1.00 0.75 C ATOM 207 C LYS A 33 11.604 9.271 -4.222 1.00 0.68 C ATOM 208 O LYS A 33 12.250 8.230 -4.367 1.00 0.78 O ATOM 209 CB LYS A 33 12.711 11.470 -3.852 1.00 0.95 C ATOM 210 CG LYS A 33 13.726 12.451 -4.420 1.00 1.45 C ATOM 211 CD LYS A 33 13.083 13.486 -5.328 1.00 1.86 C ATOM 212 CE LYS A 33 14.082 14.552 -5.741 1.00 2.71 C ATOM 213 NZ LYS A 33 14.686 15.237 -4.564 1.00 3.23 N ATOM 0 H LYS A 33 10.687 12.137 -5.137 1.00 0.71 H new ATOM 0 HA LYS A 33 12.779 10.336 -5.668 1.00 0.75 H new ATOM 0 HB2 LYS A 33 11.934 12.032 -3.333 1.00 0.95 H new ATOM 0 HB3 LYS A 33 13.206 10.847 -3.107 1.00 0.95 H new ATOM 0 HG2 LYS A 33 14.237 12.957 -3.601 1.00 1.45 H new ATOM 0 HG3 LYS A 33 14.485 11.903 -4.978 1.00 1.45 H new ATOM 0 HD2 LYS A 33 12.683 12.996 -6.216 1.00 1.86 H new ATOM 0 HD3 LYS A 33 12.242 13.952 -4.814 1.00 1.86 H new ATOM 0 HE2 LYS A 33 14.871 14.097 -6.340 1.00 2.71 H new ATOM 0 HE3 LYS A 33 13.586 15.288 -6.374 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 15.069 16.159 -4.857 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 13.959 15.380 -3.835 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 15.453 14.651 -4.177 1.00 3.23 H new ATOM 227 N LEU A 34 10.485 9.346 -3.509 1.00 0.61 N ATOM 228 CA LEU A 34 9.946 8.195 -2.800 1.00 0.64 C ATOM 229 C LEU A 34 9.550 7.104 -3.776 1.00 0.53 C ATOM 230 O LEU A 34 9.809 5.927 -3.537 1.00 0.62 O ATOM 231 CB LEU A 34 8.721 8.584 -1.973 1.00 0.70 C ATOM 232 CG LEU A 34 8.074 7.419 -1.221 1.00 0.82 C ATOM 233 CD1 LEU A 34 8.991 6.929 -0.116 1.00 1.39 C ATOM 234 CD2 LEU A 34 6.718 7.813 -0.664 1.00 1.38 C ATOM 0 H LEU A 34 9.933 10.197 -3.408 1.00 0.61 H new ATOM 0 HA LEU A 34 10.727 7.827 -2.135 1.00 0.64 H new ATOM 0 HB2 LEU A 34 9.011 9.350 -1.253 1.00 0.70 H new ATOM 0 HB3 LEU A 34 7.979 9.032 -2.633 1.00 0.70 H new ATOM 0 HG LEU A 34 7.917 6.603 -1.927 1.00 0.82 H new ATOM 0 HD11 LEU A 34 8.517 6.100 0.410 1.00 1.39 H new ATOM 0 HD12 LEU A 34 9.934 6.593 -0.548 1.00 1.39 H new ATOM 0 HD13 LEU A 34 9.182 7.741 0.585 1.00 1.39 H new ATOM 0 HD21 LEU A 34 6.282 6.966 -0.135 1.00 1.38 H new ATOM 0 HD22 LEU A 34 6.837 8.649 0.025 1.00 1.38 H new ATOM 0 HD23 LEU A 34 6.060 8.107 -1.482 1.00 1.38 H new ATOM 246 N ILE A 35 8.925 7.512 -4.876 1.00 0.43 N ATOM 247 CA ILE A 35 8.453 6.579 -5.893 1.00 0.43 C ATOM 248 C ILE A 35 9.575 5.638 -6.320 1.00 0.46 C ATOM 249 O ILE A 35 9.384 4.427 -6.431 1.00 0.52 O ATOM 250 CB ILE A 35 7.912 7.330 -7.133 1.00 0.47 C ATOM 251 CG1 ILE A 35 6.716 8.217 -6.760 1.00 0.57 C ATOM 252 CG2 ILE A 35 7.524 6.350 -8.233 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.561 7.462 -6.132 1.00 0.97 C ATOM 0 H ILE A 35 8.733 8.491 -5.087 1.00 0.43 H new ATOM 0 HA ILE A 35 7.642 5.998 -5.454 1.00 0.43 H new ATOM 0 HB ILE A 35 8.709 7.972 -7.509 1.00 0.47 H new ATOM 0 HG12 ILE A 35 7.051 8.989 -6.068 1.00 0.57 H new ATOM 0 HG13 ILE A 35 6.360 8.725 -7.656 1.00 0.57 H new ATOM 0 HG21 ILE A 35 7.146 6.901 -9.094 1.00 0.61 H new ATOM 0 HG22 ILE A 35 8.398 5.770 -8.528 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.749 5.677 -7.865 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.756 8.158 -5.897 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.197 6.708 -6.830 1.00 0.97 H new ATOM 0 HD13 ILE A 35 5.899 6.976 -5.217 1.00 0.97 H new ATOM 265 N GLU A 36 10.753 6.206 -6.520 1.00 0.51 N ATOM 266 CA GLU A 36 11.906 5.436 -6.943 1.00 0.62 C ATOM 267 C GLU A 36 12.476 4.613 -5.790 1.00 0.63 C ATOM 268 O GLU A 36 12.694 3.411 -5.935 1.00 0.64 O ATOM 269 CB GLU A 36 12.973 6.369 -7.512 1.00 0.79 C ATOM 270 CG GLU A 36 12.487 7.170 -8.708 1.00 0.87 C ATOM 271 CD GLU A 36 13.560 8.064 -9.287 1.00 1.64 C ATOM 272 OE1 GLU A 36 13.551 9.277 -8.997 1.00 2.22 O ATOM 273 OE2 GLU A 36 14.432 7.554 -10.022 1.00 2.42 O ATOM 0 H GLU A 36 10.934 7.202 -6.395 1.00 0.51 H new ATOM 0 HA GLU A 36 11.587 4.741 -7.720 1.00 0.62 H new ATOM 0 HB2 GLU A 36 13.301 7.055 -6.731 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.843 5.781 -7.805 1.00 0.79 H new ATOM 0 HG2 GLU A 36 12.135 6.485 -9.480 1.00 0.87 H new ATOM 0 HG3 GLU A 36 11.634 7.780 -8.409 1.00 0.87 H new ATOM 280 N GLU A 37 12.690 5.252 -4.642 1.00 0.68 N ATOM 281 CA GLU A 37 13.331 4.586 -3.507 1.00 0.77 C ATOM 282 C GLU A 37 12.465 3.455 -2.953 1.00 0.71 C ATOM 283 O GLU A 37 12.973 2.382 -2.625 1.00 0.79 O ATOM 284 CB GLU A 37 13.653 5.585 -2.393 1.00 0.91 C ATOM 285 CG GLU A 37 14.559 6.726 -2.830 1.00 1.41 C ATOM 286 CD GLU A 37 15.805 6.249 -3.549 1.00 1.84 C ATOM 287 OE1 GLU A 37 15.836 6.317 -4.796 1.00 2.30 O ATOM 288 OE2 GLU A 37 16.761 5.811 -2.877 1.00 2.53 O ATOM 0 H GLU A 37 12.431 6.224 -4.472 1.00 0.68 H new ATOM 0 HA GLU A 37 14.262 4.155 -3.876 1.00 0.77 H new ATOM 0 HB2 GLU A 37 12.721 6.001 -2.011 1.00 0.91 H new ATOM 0 HB3 GLU A 37 14.127 5.053 -1.568 1.00 0.91 H new ATOM 0 HG2 GLU A 37 14.001 7.395 -3.485 1.00 1.41 H new ATOM 0 HG3 GLU A 37 14.851 7.307 -1.955 1.00 1.41 H new ATOM 295 N ALA A 38 11.162 3.693 -2.861 1.00 0.61 N ATOM 296 CA ALA A 38 10.237 2.693 -2.337 1.00 0.60 C ATOM 297 C ALA A 38 10.216 1.460 -3.229 1.00 0.54 C ATOM 298 O ALA A 38 10.168 0.331 -2.741 1.00 0.59 O ATOM 299 CB ALA A 38 8.837 3.273 -2.203 1.00 0.60 C ATOM 0 H ALA A 38 10.721 4.569 -3.142 1.00 0.61 H new ATOM 0 HA ALA A 38 10.584 2.397 -1.347 1.00 0.60 H new ATOM 0 HB1 ALA A 38 8.163 2.511 -1.811 1.00 0.60 H new ATOM 0 HB2 ALA A 38 8.859 4.123 -1.521 1.00 0.60 H new ATOM 0 HB3 ALA A 38 8.484 3.601 -3.181 1.00 0.60 H new ATOM 305 N ARG A 39 10.272 1.679 -4.537 1.00 0.49 N ATOM 306 CA ARG A 39 10.278 0.580 -5.489 1.00 0.53 C ATOM 307 C ARG A 39 11.594 -0.188 -5.398 1.00 0.56 C ATOM 308 O ARG A 39 11.619 -1.409 -5.520 1.00 0.59 O ATOM 309 CB ARG A 39 10.055 1.097 -6.913 1.00 0.60 C ATOM 310 CG ARG A 39 9.863 -0.011 -7.936 1.00 0.88 C ATOM 311 CD ARG A 39 9.491 0.546 -9.300 1.00 0.95 C ATOM 312 NE ARG A 39 9.209 -0.517 -10.261 1.00 1.37 N ATOM 313 CZ ARG A 39 8.316 -0.420 -11.245 1.00 1.97 C ATOM 314 NH1 ARG A 39 7.632 0.706 -11.421 1.00 2.23 N ATOM 315 NH2 ARG A 39 8.107 -1.453 -12.052 1.00 2.73 N ATOM 0 H ARG A 39 10.314 2.606 -4.960 1.00 0.49 H new ATOM 0 HA ARG A 39 9.461 -0.097 -5.242 1.00 0.53 H new ATOM 0 HB2 ARG A 39 9.179 1.746 -6.923 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.908 1.709 -7.207 1.00 0.60 H new ATOM 0 HG2 ARG A 39 10.780 -0.594 -8.018 1.00 0.88 H new ATOM 0 HG3 ARG A 39 9.082 -0.691 -7.595 1.00 0.88 H new ATOM 0 HD2 ARG A 39 8.617 1.190 -9.204 1.00 0.95 H new ATOM 0 HD3 ARG A 39 10.305 1.167 -9.673 1.00 0.95 H new ATOM 0 HE ARG A 39 9.729 -1.390 -10.173 1.00 1.37 H new ATOM 0 HH11 ARG A 39 7.790 1.501 -10.801 1.00 2.23 H new ATOM 0 HH12 ARG A 39 6.949 0.775 -12.176 1.00 2.23 H new ATOM 0 HH21 ARG A 39 8.630 -2.319 -11.918 1.00 2.73 H new ATOM 0 HH22 ARG A 39 7.424 -1.381 -12.806 1.00 2.73 H new ATOM 329 N LYS A 40 12.682 0.539 -5.161 1.00 0.59 N ATOM 330 CA LYS A 40 13.992 -0.081 -4.982 1.00 0.67 C ATOM 331 C LYS A 40 13.994 -0.982 -3.754 1.00 0.65 C ATOM 332 O LYS A 40 14.483 -2.112 -3.798 1.00 0.71 O ATOM 333 CB LYS A 40 15.078 0.987 -4.843 1.00 0.78 C ATOM 334 CG LYS A 40 15.264 1.833 -6.089 1.00 0.83 C ATOM 335 CD LYS A 40 16.216 2.987 -5.835 1.00 1.29 C ATOM 336 CE LYS A 40 16.346 3.880 -7.055 1.00 1.82 C ATOM 337 NZ LYS A 40 17.134 5.102 -6.758 1.00 2.52 N ATOM 0 H LYS A 40 12.683 1.556 -5.088 1.00 0.59 H new ATOM 0 HA LYS A 40 14.203 -0.686 -5.864 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.829 1.639 -4.006 1.00 0.78 H new ATOM 0 HB3 LYS A 40 16.023 0.502 -4.599 1.00 0.78 H new ATOM 0 HG2 LYS A 40 15.649 1.213 -6.898 1.00 0.83 H new ATOM 0 HG3 LYS A 40 14.299 2.220 -6.416 1.00 0.83 H new ATOM 0 HD2 LYS A 40 15.859 3.575 -4.989 1.00 1.29 H new ATOM 0 HD3 LYS A 40 17.197 2.598 -5.562 1.00 1.29 H new ATOM 0 HE2 LYS A 40 16.824 3.326 -7.863 1.00 1.82 H new ATOM 0 HE3 LYS A 40 15.354 4.163 -7.406 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 17.361 5.593 -7.646 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 16.579 5.733 -6.146 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 18.015 4.837 -6.274 1.00 2.52 H new ATOM 351 N MET A 41 13.436 -0.476 -2.658 1.00 0.64 N ATOM 352 CA MET A 41 13.322 -1.253 -1.429 1.00 0.68 C ATOM 353 C MET A 41 12.425 -2.462 -1.657 1.00 0.63 C ATOM 354 O MET A 41 12.677 -3.547 -1.131 1.00 0.67 O ATOM 355 CB MET A 41 12.760 -0.395 -0.290 1.00 0.82 C ATOM 356 CG MET A 41 13.619 0.811 0.085 1.00 0.99 C ATOM 357 SD MET A 41 15.266 0.369 0.686 1.00 1.64 S ATOM 358 CE MET A 41 16.205 0.334 -0.842 1.00 2.61 C ATOM 0 H MET A 41 13.056 0.469 -2.596 1.00 0.64 H new ATOM 0 HA MET A 41 14.319 -1.592 -1.146 1.00 0.68 H new ATOM 0 HB2 MET A 41 11.768 -0.043 -0.574 1.00 0.82 H new ATOM 0 HB3 MET A 41 12.635 -1.023 0.592 1.00 0.82 H new ATOM 0 HG2 MET A 41 13.721 1.459 -0.786 1.00 0.99 H new ATOM 0 HG3 MET A 41 13.104 1.388 0.853 1.00 0.99 H new ATOM 0 HE1 MET A 41 16.443 -0.698 -1.099 1.00 2.61 H new ATOM 0 HE2 MET A 41 15.615 0.781 -1.642 1.00 2.61 H new ATOM 0 HE3 MET A 41 17.129 0.898 -0.714 1.00 2.61 H new ATOM 368 N ALA A 42 11.386 -2.268 -2.461 1.00 0.60 N ATOM 369 CA ALA A 42 10.460 -3.340 -2.794 1.00 0.64 C ATOM 370 C ALA A 42 11.154 -4.441 -3.585 1.00 0.61 C ATOM 371 O ALA A 42 10.948 -5.619 -3.323 1.00 0.66 O ATOM 372 CB ALA A 42 9.279 -2.791 -3.576 1.00 0.75 C ATOM 0 H ALA A 42 11.164 -1.372 -2.896 1.00 0.60 H new ATOM 0 HA ALA A 42 10.096 -3.774 -1.863 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.594 -3.603 -3.819 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.759 -2.046 -2.974 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.635 -2.330 -4.497 1.00 0.75 H new ATOM 378 N GLU A 43 11.982 -4.054 -4.547 1.00 0.62 N ATOM 379 CA GLU A 43 12.699 -5.025 -5.366 1.00 0.75 C ATOM 380 C GLU A 43 13.707 -5.806 -4.531 1.00 0.71 C ATOM 381 O GLU A 43 13.951 -6.988 -4.780 1.00 0.79 O ATOM 382 CB GLU A 43 13.414 -4.335 -6.531 1.00 0.93 C ATOM 383 CG GLU A 43 12.470 -3.682 -7.527 1.00 1.33 C ATOM 384 CD GLU A 43 11.416 -4.638 -8.044 1.00 1.88 C ATOM 385 OE1 GLU A 43 11.780 -5.714 -8.565 1.00 2.39 O ATOM 386 OE2 GLU A 43 10.215 -4.320 -7.940 1.00 2.57 O ATOM 0 H GLU A 43 12.174 -3.079 -4.779 1.00 0.62 H new ATOM 0 HA GLU A 43 11.964 -5.722 -5.768 1.00 0.75 H new ATOM 0 HB2 GLU A 43 14.089 -3.577 -6.134 1.00 0.93 H new ATOM 0 HB3 GLU A 43 14.029 -5.068 -7.053 1.00 0.93 H new ATOM 0 HG2 GLU A 43 11.982 -2.830 -7.054 1.00 1.33 H new ATOM 0 HG3 GLU A 43 13.046 -3.293 -8.367 1.00 1.33 H new ATOM 393 N LYS A 44 14.280 -5.144 -3.535 1.00 0.68 N ATOM 394 CA LYS A 44 15.263 -5.774 -2.663 1.00 0.77 C ATOM 395 C LYS A 44 14.599 -6.768 -1.710 1.00 0.69 C ATOM 396 O LYS A 44 15.180 -7.797 -1.371 1.00 0.80 O ATOM 397 CB LYS A 44 16.029 -4.712 -1.866 1.00 0.92 C ATOM 398 CG LYS A 44 17.026 -5.296 -0.877 1.00 1.42 C ATOM 399 CD LYS A 44 17.827 -4.216 -0.166 1.00 1.99 C ATOM 400 CE LYS A 44 18.803 -3.527 -1.109 1.00 2.49 C ATOM 401 NZ LYS A 44 19.680 -2.566 -0.391 1.00 2.98 N ATOM 0 H LYS A 44 14.081 -4.169 -3.310 1.00 0.68 H new ATOM 0 HA LYS A 44 15.965 -6.322 -3.291 1.00 0.77 H new ATOM 0 HB2 LYS A 44 16.558 -4.060 -2.561 1.00 0.92 H new ATOM 0 HB3 LYS A 44 15.315 -4.090 -1.326 1.00 0.92 H new ATOM 0 HG2 LYS A 44 16.494 -5.897 -0.139 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.707 -5.965 -1.402 1.00 1.42 H new ATOM 0 HD2 LYS A 44 17.146 -3.477 0.257 1.00 1.99 H new ATOM 0 HD3 LYS A 44 18.375 -4.658 0.666 1.00 1.99 H new ATOM 0 HE2 LYS A 44 19.417 -4.277 -1.608 1.00 2.49 H new ATOM 0 HE3 LYS A 44 18.248 -3.002 -1.886 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 20.330 -2.117 -1.067 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 19.096 -1.836 0.064 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 20.229 -3.071 0.334 1.00 2.98 H new ATOM 415 N ALA A 45 13.381 -6.461 -1.285 1.00 0.61 N ATOM 416 CA ALA A 45 12.680 -7.308 -0.330 1.00 0.64 C ATOM 417 C ALA A 45 11.658 -8.212 -1.020 1.00 0.60 C ATOM 418 O ALA A 45 10.908 -8.938 -0.363 1.00 0.71 O ATOM 419 CB ALA A 45 12.008 -6.450 0.729 1.00 0.76 C ATOM 0 H ALA A 45 12.860 -5.637 -1.584 1.00 0.61 H new ATOM 0 HA ALA A 45 13.414 -7.956 0.149 1.00 0.64 H new ATOM 0 HB1 ALA A 45 11.486 -7.091 1.439 1.00 0.76 H new ATOM 0 HB2 ALA A 45 12.762 -5.864 1.255 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.293 -5.778 0.253 1.00 0.76 H new ATOM 425 N ASN A 46 11.653 -8.155 -2.352 1.00 0.56 N ATOM 426 CA ASN A 46 10.733 -8.935 -3.186 1.00 0.65 C ATOM 427 C ASN A 46 9.281 -8.618 -2.826 1.00 0.62 C ATOM 428 O ASN A 46 8.496 -9.505 -2.493 1.00 0.80 O ATOM 429 CB ASN A 46 11.012 -10.440 -3.048 1.00 0.83 C ATOM 430 CG ASN A 46 10.406 -11.263 -4.176 1.00 1.46 C ATOM 431 OD1 ASN A 46 11.039 -11.479 -5.209 1.00 2.11 O ATOM 432 ND2 ASN A 46 9.186 -11.739 -3.985 1.00 2.22 N ATOM 0 H ASN A 46 12.289 -7.564 -2.887 1.00 0.56 H new ATOM 0 HA ASN A 46 10.897 -8.656 -4.227 1.00 0.65 H new ATOM 0 HB2 ASN A 46 12.089 -10.604 -3.025 1.00 0.83 H new ATOM 0 HB3 ASN A 46 10.615 -10.792 -2.096 1.00 0.83 H new ATOM 0 HD21 ASN A 46 8.741 -12.305 -4.707 1.00 2.22 H new ATOM 0 HD22 ASN A 46 8.691 -11.540 -3.116 1.00 2.22 H new ATOM 439 N LEU A 47 8.939 -7.340 -2.876 1.00 0.48 N ATOM 440 CA LEU A 47 7.587 -6.889 -2.573 1.00 0.48 C ATOM 441 C LEU A 47 6.887 -6.450 -3.851 1.00 0.45 C ATOM 442 O LEU A 47 7.506 -5.835 -4.720 1.00 0.53 O ATOM 443 CB LEU A 47 7.611 -5.709 -1.593 1.00 0.51 C ATOM 444 CG LEU A 47 8.394 -5.926 -0.295 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.338 -4.679 0.571 1.00 1.10 C ATOM 446 CD2 LEU A 47 7.854 -7.122 0.469 1.00 1.11 C ATOM 0 H LEU A 47 9.584 -6.590 -3.126 1.00 0.48 H new ATOM 0 HA LEU A 47 7.049 -7.721 -2.118 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.032 -4.845 -2.107 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.583 -5.457 -1.335 1.00 0.51 H new ATOM 0 HG LEU A 47 9.433 -6.127 -0.554 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.899 -4.849 1.490 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.774 -3.840 0.029 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.300 -4.452 0.816 1.00 1.10 H new ATOM 0 HD21 LEU A 47 8.426 -7.256 1.387 1.00 1.11 H new ATOM 0 HD22 LEU A 47 6.806 -6.953 0.716 1.00 1.11 H new ATOM 0 HD23 LEU A 47 7.942 -8.017 -0.147 1.00 1.11 H new ATOM 458 N GLU A 48 5.603 -6.762 -3.969 1.00 0.43 N ATOM 459 CA GLU A 48 4.814 -6.265 -5.087 1.00 0.47 C ATOM 460 C GLU A 48 4.373 -4.852 -4.790 1.00 0.45 C ATOM 461 O GLU A 48 3.394 -4.645 -4.082 1.00 0.49 O ATOM 462 CB GLU A 48 3.570 -7.115 -5.321 1.00 0.58 C ATOM 463 CG GLU A 48 3.851 -8.556 -5.668 1.00 0.80 C ATOM 464 CD GLU A 48 4.864 -8.703 -6.783 1.00 1.27 C ATOM 465 OE1 GLU A 48 5.994 -9.154 -6.505 1.00 2.13 O ATOM 466 OE2 GLU A 48 4.537 -8.369 -7.938 1.00 1.74 O ATOM 0 H GLU A 48 5.091 -7.350 -3.312 1.00 0.43 H new ATOM 0 HA GLU A 48 5.437 -6.306 -5.980 1.00 0.47 H new ATOM 0 HB2 GLU A 48 2.951 -7.085 -4.424 1.00 0.58 H new ATOM 0 HB3 GLU A 48 2.987 -6.668 -6.126 1.00 0.58 H new ATOM 0 HG2 GLU A 48 4.216 -9.074 -4.781 1.00 0.80 H new ATOM 0 HG3 GLU A 48 2.921 -9.042 -5.962 1.00 0.80 H new ATOM 473 N LEU A 49 5.078 -3.882 -5.324 1.00 0.46 N ATOM 474 CA LEU A 49 4.770 -2.503 -5.019 1.00 0.50 C ATOM 475 C LEU A 49 4.302 -1.769 -6.264 1.00 0.45 C ATOM 476 O LEU A 49 5.018 -1.680 -7.259 1.00 0.54 O ATOM 477 CB LEU A 49 5.975 -1.812 -4.379 1.00 0.67 C ATOM 478 CG LEU A 49 5.675 -0.464 -3.721 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.594 -0.230 -2.537 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.824 0.664 -4.723 1.00 0.99 C ATOM 0 H LEU A 49 5.860 -4.018 -5.965 1.00 0.46 H new ATOM 0 HA LEU A 49 3.953 -2.481 -4.298 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.400 -2.478 -3.629 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.738 -1.664 -5.143 1.00 0.67 H new ATOM 0 HG LEU A 49 4.645 -0.484 -3.366 1.00 0.75 H new ATOM 0 HD11 LEU A 49 6.364 0.734 -2.083 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.449 -1.021 -1.802 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.630 -0.234 -2.874 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.606 1.615 -4.236 1.00 0.99 H new ATOM 0 HD22 LEU A 49 6.844 0.678 -5.106 1.00 0.99 H new ATOM 0 HD23 LEU A 49 5.128 0.512 -5.548 1.00 0.99 H new ATOM 492 N ILE A 50 3.088 -1.252 -6.193 1.00 0.39 N ATOM 493 CA ILE A 50 2.473 -0.562 -7.316 1.00 0.43 C ATOM 494 C ILE A 50 2.213 0.898 -6.961 1.00 0.40 C ATOM 495 O ILE A 50 1.790 1.206 -5.845 1.00 0.37 O ATOM 496 CB ILE A 50 1.139 -1.236 -7.722 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.375 -2.681 -8.186 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.426 -0.437 -8.805 1.00 0.62 C ATOM 499 CD1 ILE A 50 2.254 -2.798 -9.415 1.00 1.31 C ATOM 0 H ILE A 50 2.502 -1.298 -5.359 1.00 0.39 H new ATOM 0 HA ILE A 50 3.163 -0.616 -8.158 1.00 0.43 H new ATOM 0 HB ILE A 50 0.498 -1.258 -6.841 1.00 0.50 H new ATOM 0 HG12 ILE A 50 1.831 -3.244 -7.371 1.00 0.60 H new ATOM 0 HG13 ILE A 50 0.412 -3.146 -8.395 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.507 -0.935 -9.069 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.211 0.565 -8.435 1.00 0.62 H new ATOM 0 HG23 ILE A 50 1.064 -0.369 -9.686 1.00 0.62 H new ATOM 0 HD11 ILE A 50 2.373 -3.849 -9.679 1.00 1.31 H new ATOM 0 HD12 ILE A 50 1.791 -2.265 -10.246 1.00 1.31 H new ATOM 0 HD13 ILE A 50 3.232 -2.364 -9.206 1.00 1.31 H new ATOM 511 N THR A 51 2.480 1.789 -7.905 1.00 0.48 N ATOM 512 CA THR A 51 2.236 3.206 -7.705 1.00 0.52 C ATOM 513 C THR A 51 0.826 3.579 -8.155 1.00 0.56 C ATOM 514 O THR A 51 0.511 3.569 -9.346 1.00 0.66 O ATOM 515 CB THR A 51 3.278 4.066 -8.446 1.00 0.63 C ATOM 516 OG1 THR A 51 3.379 3.661 -9.819 1.00 1.19 O ATOM 517 CG2 THR A 51 4.639 3.944 -7.782 1.00 1.20 C ATOM 0 H THR A 51 2.867 1.553 -8.819 1.00 0.48 H new ATOM 0 HA THR A 51 2.329 3.409 -6.638 1.00 0.52 H new ATOM 0 HB THR A 51 2.951 5.105 -8.402 1.00 0.63 H new ATOM 0 HG1 THR A 51 2.481 3.510 -10.182 1.00 1.19 H new ATOM 0 HG21 THR A 51 5.362 4.558 -8.319 1.00 1.20 H new ATOM 0 HG22 THR A 51 4.571 4.283 -6.748 1.00 1.20 H new ATOM 0 HG23 THR A 51 4.961 2.903 -7.802 1.00 1.20 H new ATOM 525 N VAL A 52 -0.018 3.885 -7.188 1.00 0.68 N ATOM 526 CA VAL A 52 -1.409 4.214 -7.444 1.00 0.78 C ATOM 527 C VAL A 52 -1.595 5.719 -7.617 1.00 0.85 C ATOM 528 O VAL A 52 -0.890 6.512 -6.985 1.00 1.66 O ATOM 529 CB VAL A 52 -2.306 3.725 -6.281 1.00 1.35 C ATOM 530 CG1 VAL A 52 -3.741 4.214 -6.441 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.259 2.206 -6.186 1.00 1.95 C ATOM 0 H VAL A 52 0.241 3.913 -6.202 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.700 3.711 -8.367 1.00 0.78 H new ATOM 0 HB VAL A 52 -1.919 4.147 -5.353 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.344 3.853 -5.608 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -3.755 5.304 -6.453 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -4.152 3.836 -7.377 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -2.893 1.873 -5.365 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -2.616 1.772 -7.120 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.233 1.884 -6.006 1.00 1.95 H new ATOM 541 N PRO A 53 -2.521 6.127 -8.507 1.00 0.73 N ATOM 542 CA PRO A 53 -3.008 7.505 -8.589 1.00 0.90 C ATOM 543 C PRO A 53 -3.395 8.055 -7.217 1.00 0.88 C ATOM 544 O PRO A 53 -3.618 7.305 -6.269 1.00 1.64 O ATOM 545 CB PRO A 53 -4.248 7.413 -9.492 1.00 1.83 C ATOM 546 CG PRO A 53 -4.490 5.955 -9.702 1.00 2.29 C ATOM 547 CD PRO A 53 -3.161 5.287 -9.529 1.00 1.49 C ATOM 0 HA PRO A 53 -2.243 8.179 -8.974 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -5.109 7.889 -9.023 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -4.080 7.922 -10.441 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -5.215 5.572 -8.984 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -4.895 5.766 -10.696 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -3.265 4.253 -9.199 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -2.590 5.270 -10.457 1.00 1.49 H new ATOM 555 N GLY A 54 -3.490 9.370 -7.132 1.00 1.49 N ATOM 556 CA GLY A 54 -3.677 10.053 -5.859 1.00 2.14 C ATOM 557 C GLY A 54 -5.036 9.825 -5.211 1.00 1.80 C ATOM 558 O GLY A 54 -5.390 10.520 -4.260 1.00 2.08 O ATOM 0 H GLY A 54 -3.440 9.994 -7.937 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -2.900 9.725 -5.168 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -3.537 11.123 -6.012 1.00 2.14 H new ATOM 562 N SER A 55 -5.792 8.861 -5.713 1.00 1.36 N ATOM 563 CA SER A 55 -7.075 8.521 -5.127 1.00 0.97 C ATOM 564 C SER A 55 -6.922 7.308 -4.209 1.00 0.64 C ATOM 565 O SER A 55 -6.567 6.219 -4.665 1.00 0.50 O ATOM 566 CB SER A 55 -8.077 8.194 -6.233 1.00 1.19 C ATOM 567 OG SER A 55 -7.959 9.096 -7.323 1.00 1.75 O ATOM 0 H SER A 55 -5.537 8.301 -6.526 1.00 1.36 H new ATOM 0 HA SER A 55 -7.436 9.371 -4.547 1.00 0.97 H new ATOM 0 HB2 SER A 55 -7.915 7.175 -6.583 1.00 1.19 H new ATOM 0 HB3 SER A 55 -9.090 8.236 -5.832 1.00 1.19 H new ATOM 0 HG SER A 55 -7.961 8.594 -8.165 1.00 1.75 H new ATOM 573 N PRO A 56 -7.196 7.481 -2.903 1.00 0.66 N ATOM 574 CA PRO A 56 -7.153 6.384 -1.929 1.00 0.58 C ATOM 575 C PRO A 56 -8.105 5.251 -2.301 1.00 0.53 C ATOM 576 O PRO A 56 -7.812 4.083 -2.064 1.00 0.62 O ATOM 577 CB PRO A 56 -7.594 7.046 -0.619 1.00 0.70 C ATOM 578 CG PRO A 56 -7.296 8.492 -0.808 1.00 1.09 C ATOM 579 CD PRO A 56 -7.532 8.766 -2.267 1.00 0.87 C ATOM 0 HA PRO A 56 -6.166 5.926 -1.874 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.655 6.882 -0.430 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -7.051 6.638 0.233 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -7.941 9.110 -0.184 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -6.268 8.720 -0.528 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -8.565 9.055 -2.462 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -6.900 9.575 -2.633 1.00 0.87 H new ATOM 587 N GLU A 57 -9.235 5.614 -2.900 1.00 0.62 N ATOM 588 CA GLU A 57 -10.223 4.642 -3.367 1.00 0.80 C ATOM 589 C GLU A 57 -9.579 3.616 -4.305 1.00 0.67 C ATOM 590 O GLU A 57 -9.765 2.409 -4.151 1.00 0.67 O ATOM 591 CB GLU A 57 -11.358 5.386 -4.088 1.00 1.14 C ATOM 592 CG GLU A 57 -12.337 4.488 -4.831 1.00 1.80 C ATOM 593 CD GLU A 57 -13.225 3.667 -3.916 1.00 1.95 C ATOM 594 OE1 GLU A 57 -14.417 4.008 -3.778 1.00 2.06 O ATOM 595 OE2 GLU A 57 -12.755 2.652 -3.373 1.00 2.70 O ATOM 0 H GLU A 57 -9.493 6.585 -3.076 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.625 4.103 -2.509 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -11.910 5.975 -3.356 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -10.920 6.088 -4.797 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -12.965 5.104 -5.475 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -11.778 3.814 -5.480 1.00 1.80 H new ATOM 602 N GLU A 58 -8.784 4.108 -5.246 1.00 0.61 N ATOM 603 CA GLU A 58 -8.188 3.261 -6.270 1.00 0.56 C ATOM 604 C GLU A 58 -7.093 2.365 -5.697 1.00 0.50 C ATOM 605 O GLU A 58 -6.830 1.283 -6.226 1.00 0.54 O ATOM 606 CB GLU A 58 -7.624 4.122 -7.401 1.00 0.62 C ATOM 607 CG GLU A 58 -8.684 4.926 -8.136 1.00 1.18 C ATOM 608 CD GLU A 58 -8.117 5.728 -9.287 1.00 1.57 C ATOM 609 OE1 GLU A 58 -8.001 6.967 -9.157 1.00 2.30 O ATOM 610 OE2 GLU A 58 -7.788 5.121 -10.329 1.00 2.01 O ATOM 0 H GLU A 58 -8.536 5.095 -5.321 1.00 0.61 H new ATOM 0 HA GLU A 58 -8.973 2.615 -6.663 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -6.880 4.805 -6.991 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -7.108 3.479 -8.114 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -9.450 4.249 -8.513 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -9.173 5.602 -7.434 1.00 1.18 H new ATOM 617 N ALA A 59 -6.465 2.814 -4.616 1.00 0.52 N ATOM 618 CA ALA A 59 -5.345 2.095 -4.024 1.00 0.59 C ATOM 619 C ALA A 59 -5.776 0.747 -3.458 1.00 0.50 C ATOM 620 O ALA A 59 -5.200 -0.290 -3.794 1.00 0.50 O ATOM 621 CB ALA A 59 -4.691 2.941 -2.943 1.00 0.78 C ATOM 0 H ALA A 59 -6.714 3.676 -4.131 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.619 1.902 -4.814 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.855 2.393 -2.508 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -4.327 3.871 -3.379 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -5.421 3.166 -2.166 1.00 0.78 H new ATOM 627 N ILE A 60 -6.802 0.757 -2.617 1.00 0.51 N ATOM 628 CA ILE A 60 -7.256 -0.466 -1.969 1.00 0.52 C ATOM 629 C ILE A 60 -7.890 -1.417 -2.984 1.00 0.50 C ATOM 630 O ILE A 60 -7.791 -2.636 -2.852 1.00 0.52 O ATOM 631 CB ILE A 60 -8.247 -0.189 -0.808 1.00 0.63 C ATOM 632 CG1 ILE A 60 -7.552 0.548 0.345 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.858 -1.486 -0.295 1.00 0.74 C ATOM 634 CD1 ILE A 60 -7.435 2.044 0.156 1.00 1.03 C ATOM 0 H ILE A 60 -7.332 1.592 -2.369 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.372 -0.938 -1.540 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.043 0.445 -1.200 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -8.101 0.353 1.266 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -6.553 0.132 0.475 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -9.549 -1.266 0.519 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.396 -1.980 -1.104 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -8.067 -2.142 0.069 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -6.932 2.481 1.018 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -6.859 2.253 -0.745 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -8.430 2.477 0.059 1.00 1.03 H new ATOM 646 N ARG A 61 -8.514 -0.860 -4.016 1.00 0.51 N ATOM 647 CA ARG A 61 -9.139 -1.680 -5.051 1.00 0.57 C ATOM 648 C ARG A 61 -8.089 -2.449 -5.850 1.00 0.55 C ATOM 649 O ARG A 61 -8.369 -3.522 -6.381 1.00 0.67 O ATOM 650 CB ARG A 61 -9.997 -0.830 -5.987 1.00 0.63 C ATOM 651 CG ARG A 61 -11.193 -0.192 -5.300 1.00 0.68 C ATOM 652 CD ARG A 61 -12.126 0.462 -6.302 1.00 0.85 C ATOM 653 NE ARG A 61 -13.221 1.173 -5.645 1.00 1.75 N ATOM 654 CZ ARG A 61 -14.456 1.271 -6.138 1.00 2.33 C ATOM 655 NH1 ARG A 61 -14.790 0.627 -7.250 1.00 2.28 N ATOM 656 NH2 ARG A 61 -15.364 2.004 -5.504 1.00 3.35 N ATOM 0 H ARG A 61 -8.601 0.146 -4.159 1.00 0.51 H new ATOM 0 HA ARG A 61 -9.788 -2.399 -4.551 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -9.378 -0.046 -6.423 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -10.350 -1.452 -6.809 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -11.737 -0.950 -4.736 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -10.848 0.553 -4.583 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -11.562 1.158 -6.922 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -12.535 -0.299 -6.967 1.00 0.85 H new ATOM 0 HE ARG A 61 -13.028 1.624 -4.751 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -14.100 0.052 -7.733 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -15.737 0.707 -7.621 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -15.116 2.490 -4.642 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -16.310 2.081 -5.879 1.00 3.35 H new ATOM 670 N LEU A 62 -6.873 -1.910 -5.913 1.00 0.47 N ATOM 671 CA LEU A 62 -5.785 -2.580 -6.609 1.00 0.50 C ATOM 672 C LEU A 62 -5.231 -3.669 -5.695 1.00 0.43 C ATOM 673 O LEU A 62 -4.866 -4.757 -6.139 1.00 0.45 O ATOM 674 CB LEU A 62 -4.695 -1.561 -6.987 1.00 0.59 C ATOM 675 CG LEU A 62 -3.810 -1.916 -8.197 1.00 0.69 C ATOM 676 CD1 LEU A 62 -2.898 -3.094 -7.899 1.00 1.22 C ATOM 677 CD2 LEU A 62 -4.667 -2.204 -9.423 1.00 1.03 C ATOM 0 H LEU A 62 -6.621 -1.016 -5.492 1.00 0.47 H new ATOM 0 HA LEU A 62 -6.144 -3.034 -7.533 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -5.177 -0.604 -7.187 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -4.048 -1.417 -6.122 1.00 0.59 H new ATOM 0 HG LEU A 62 -3.178 -1.052 -8.405 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -2.290 -3.314 -8.776 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -2.248 -2.848 -7.059 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -3.501 -3.966 -7.647 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -4.023 -2.453 -10.267 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -5.331 -3.043 -9.214 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -5.261 -1.323 -9.667 1.00 1.03 H new ATOM 689 N ALA A 63 -5.208 -3.361 -4.404 1.00 0.41 N ATOM 690 CA ALA A 63 -4.800 -4.316 -3.385 1.00 0.42 C ATOM 691 C ALA A 63 -5.728 -5.518 -3.374 1.00 0.46 C ATOM 692 O ALA A 63 -5.282 -6.661 -3.305 1.00 0.49 O ATOM 693 CB ALA A 63 -4.802 -3.650 -2.021 1.00 0.49 C ATOM 0 H ALA A 63 -5.471 -2.446 -4.037 1.00 0.41 H new ATOM 0 HA ALA A 63 -3.792 -4.659 -3.617 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.496 -4.371 -1.263 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.107 -2.810 -2.025 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -5.805 -3.289 -1.794 1.00 0.49 H new ATOM 699 N GLN A 64 -7.023 -5.235 -3.444 1.00 0.52 N ATOM 700 CA GLN A 64 -8.055 -6.261 -3.467 1.00 0.64 C ATOM 701 C GLN A 64 -7.813 -7.244 -4.608 1.00 0.62 C ATOM 702 O GLN A 64 -7.967 -8.454 -4.441 1.00 0.69 O ATOM 703 CB GLN A 64 -9.424 -5.597 -3.620 1.00 0.77 C ATOM 704 CG GLN A 64 -10.592 -6.566 -3.622 1.00 1.11 C ATOM 705 CD GLN A 64 -11.919 -5.862 -3.809 1.00 1.39 C ATOM 706 OE1 GLN A 64 -12.091 -4.711 -3.405 1.00 1.95 O ATOM 707 NE2 GLN A 64 -12.868 -6.543 -4.426 1.00 2.12 N ATOM 0 H GLN A 64 -7.387 -4.283 -3.487 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.024 -6.818 -2.530 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -9.561 -4.883 -2.808 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.437 -5.029 -4.550 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.455 -7.296 -4.419 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -10.605 -7.119 -2.683 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.687 -7.494 -4.746 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -13.782 -6.117 -4.582 1.00 2.12 H new ATOM 716 N GLU A 65 -7.418 -6.711 -5.758 1.00 0.58 N ATOM 717 CA GLU A 65 -7.118 -7.529 -6.924 1.00 0.63 C ATOM 718 C GLU A 65 -5.995 -8.512 -6.619 1.00 0.55 C ATOM 719 O GLU A 65 -6.164 -9.721 -6.775 1.00 0.62 O ATOM 720 CB GLU A 65 -6.728 -6.642 -8.107 1.00 0.69 C ATOM 721 CG GLU A 65 -6.484 -7.413 -9.392 1.00 1.24 C ATOM 722 CD GLU A 65 -6.156 -6.507 -10.556 1.00 1.50 C ATOM 723 OE1 GLU A 65 -5.014 -6.564 -11.059 1.00 2.21 O ATOM 724 OE2 GLU A 65 -7.040 -5.730 -10.972 1.00 1.95 O ATOM 0 H GLU A 65 -7.298 -5.709 -5.907 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.013 -8.095 -7.183 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -7.518 -5.910 -8.277 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -5.827 -6.085 -7.851 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -5.665 -8.116 -9.240 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -7.369 -8.002 -9.632 1.00 1.24 H new ATOM 731 N ILE A 66 -4.859 -7.996 -6.163 1.00 0.46 N ATOM 732 CA ILE A 66 -3.707 -8.843 -5.890 1.00 0.46 C ATOM 733 C ILE A 66 -3.991 -9.797 -4.731 1.00 0.43 C ATOM 734 O ILE A 66 -3.572 -10.949 -4.757 1.00 0.48 O ATOM 735 CB ILE A 66 -2.451 -8.006 -5.579 1.00 0.54 C ATOM 736 CG1 ILE A 66 -2.214 -6.976 -6.687 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.236 -8.912 -5.431 1.00 0.64 C ATOM 738 CD1 ILE A 66 -1.059 -6.047 -6.406 1.00 0.53 C ATOM 0 H ILE A 66 -4.713 -7.004 -5.976 1.00 0.46 H new ATOM 0 HA ILE A 66 -3.518 -9.427 -6.791 1.00 0.46 H new ATOM 0 HB ILE A 66 -2.607 -7.478 -4.639 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.030 -7.499 -7.625 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -3.120 -6.386 -6.824 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -0.356 -8.307 -5.212 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.405 -9.617 -4.617 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.077 -9.461 -6.359 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -0.948 -5.344 -7.232 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -1.250 -5.497 -5.484 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -0.143 -6.628 -6.299 1.00 0.53 H new ATOM 750 N ALA A 67 -4.723 -9.318 -3.731 1.00 0.44 N ATOM 751 CA ALA A 67 -5.060 -10.131 -2.565 1.00 0.51 C ATOM 752 C ALA A 67 -5.938 -11.315 -2.955 1.00 0.55 C ATOM 753 O ALA A 67 -5.775 -12.420 -2.437 1.00 0.63 O ATOM 754 CB ALA A 67 -5.757 -9.287 -1.511 1.00 0.60 C ATOM 0 H ALA A 67 -5.096 -8.369 -3.703 1.00 0.44 H new ATOM 0 HA ALA A 67 -4.130 -10.519 -2.148 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -6.001 -9.909 -0.650 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.098 -8.477 -1.199 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.673 -8.869 -1.927 1.00 0.60 H new ATOM 760 N GLU A 68 -6.872 -11.075 -3.866 1.00 0.60 N ATOM 761 CA GLU A 68 -7.760 -12.123 -4.349 1.00 0.73 C ATOM 762 C GLU A 68 -7.003 -13.106 -5.235 1.00 0.73 C ATOM 763 O GLU A 68 -7.153 -14.324 -5.106 1.00 0.87 O ATOM 764 CB GLU A 68 -8.926 -11.508 -5.129 1.00 0.83 C ATOM 765 CG GLU A 68 -9.857 -12.534 -5.757 1.00 1.10 C ATOM 766 CD GLU A 68 -11.022 -11.898 -6.483 1.00 1.71 C ATOM 767 OE1 GLU A 68 -10.831 -11.403 -7.614 1.00 2.46 O ATOM 768 OE2 GLU A 68 -12.141 -11.890 -5.928 1.00 2.22 O ATOM 0 H GLU A 68 -7.034 -10.160 -4.286 1.00 0.60 H new ATOM 0 HA GLU A 68 -8.152 -12.664 -3.488 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.503 -10.871 -4.459 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -8.527 -10.866 -5.914 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -9.292 -13.151 -6.456 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.237 -13.198 -4.980 1.00 1.10 H new ATOM 775 N LYS A 69 -6.166 -12.570 -6.111 1.00 0.65 N ATOM 776 CA LYS A 69 -5.477 -13.376 -7.110 1.00 0.71 C ATOM 777 C LYS A 69 -4.117 -13.851 -6.604 1.00 0.73 C ATOM 778 O LYS A 69 -3.251 -14.237 -7.391 1.00 0.92 O ATOM 779 CB LYS A 69 -5.312 -12.564 -8.397 1.00 0.73 C ATOM 780 CG LYS A 69 -6.623 -11.999 -8.927 1.00 0.77 C ATOM 781 CD LYS A 69 -7.585 -13.105 -9.323 1.00 1.29 C ATOM 782 CE LYS A 69 -8.907 -12.546 -9.820 1.00 1.73 C ATOM 783 NZ LYS A 69 -9.870 -13.625 -10.157 1.00 2.41 N ATOM 0 H LYS A 69 -5.946 -11.575 -6.151 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.079 -14.262 -7.312 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -4.619 -11.743 -8.214 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -4.862 -13.197 -9.162 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.084 -11.370 -8.165 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -6.424 -11.362 -9.789 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -7.133 -13.719 -10.102 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -7.764 -13.756 -8.467 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -9.338 -11.899 -9.056 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -8.732 -11.927 -10.700 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -10.760 -13.204 -10.492 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -9.469 -14.227 -10.904 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -10.057 -14.200 -9.311 1.00 2.41 H new ATOM 797 N ALA A 70 -3.934 -13.817 -5.293 1.00 0.67 N ATOM 798 CA ALA A 70 -2.693 -14.266 -4.684 1.00 0.71 C ATOM 799 C ALA A 70 -2.746 -15.754 -4.376 1.00 0.69 C ATOM 800 O ALA A 70 -3.718 -16.239 -3.789 1.00 0.68 O ATOM 801 CB ALA A 70 -2.409 -13.493 -3.410 1.00 0.78 C ATOM 0 H ALA A 70 -4.632 -13.482 -4.629 1.00 0.67 H new ATOM 0 HA ALA A 70 -1.890 -14.083 -5.398 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.476 -13.845 -2.971 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.324 -12.431 -3.640 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -3.224 -13.646 -2.702 1.00 0.78 H new ATOM 807 N PRO A 71 -1.708 -16.498 -4.772 1.00 0.84 N ATOM 808 CA PRO A 71 -1.609 -17.917 -4.470 1.00 0.90 C ATOM 809 C PRO A 71 -1.059 -18.160 -3.068 1.00 0.81 C ATOM 810 O PRO A 71 0.122 -17.929 -2.796 1.00 0.93 O ATOM 811 CB PRO A 71 -0.641 -18.428 -5.536 1.00 1.19 C ATOM 812 CG PRO A 71 0.237 -17.263 -5.857 1.00 1.34 C ATOM 813 CD PRO A 71 -0.557 -16.015 -5.557 1.00 1.08 C ATOM 0 HA PRO A 71 -2.576 -18.420 -4.484 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -0.057 -19.271 -5.166 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -1.176 -18.774 -6.421 1.00 1.19 H new ATOM 0 HG2 PRO A 71 1.149 -17.292 -5.261 1.00 1.34 H new ATOM 0 HG3 PRO A 71 0.539 -17.285 -6.904 1.00 1.34 H new ATOM 0 HD2 PRO A 71 0.034 -15.293 -4.994 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -0.879 -15.519 -6.472 1.00 1.08 H new ATOM 821 N GLY A 72 -1.927 -18.608 -2.177 1.00 0.75 N ATOM 822 CA GLY A 72 -1.509 -18.932 -0.830 1.00 0.77 C ATOM 823 C GLY A 72 -1.636 -17.749 0.106 1.00 0.63 C ATOM 824 O GLY A 72 -2.448 -16.854 -0.136 1.00 0.62 O ATOM 0 H GLY A 72 -2.919 -18.754 -2.363 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -2.112 -19.758 -0.453 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -0.474 -19.273 -0.844 1.00 0.77 H new ATOM 828 N PRO A 73 -0.846 -17.715 1.189 1.00 0.61 N ATOM 829 CA PRO A 73 -0.880 -16.614 2.153 1.00 0.58 C ATOM 830 C PRO A 73 -0.330 -15.323 1.559 1.00 0.48 C ATOM 831 O PRO A 73 0.756 -15.306 0.970 1.00 0.54 O ATOM 832 CB PRO A 73 0.012 -17.105 3.295 1.00 0.71 C ATOM 833 CG PRO A 73 0.924 -18.104 2.669 1.00 0.90 C ATOM 834 CD PRO A 73 0.141 -18.746 1.558 1.00 0.73 C ATOM 0 HA PRO A 73 -1.896 -16.377 2.470 1.00 0.58 H new ATOM 0 HB2 PRO A 73 0.573 -16.283 3.740 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -0.579 -17.555 4.092 1.00 0.71 H new ATOM 0 HG2 PRO A 73 1.823 -17.623 2.284 1.00 0.90 H new ATOM 0 HG3 PRO A 73 1.247 -18.847 3.398 1.00 0.90 H new ATOM 0 HD2 PRO A 73 0.781 -19.008 0.716 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -0.343 -19.665 1.888 1.00 0.73 H new ATOM 842 N VAL A 74 -1.078 -14.245 1.710 1.00 0.48 N ATOM 843 CA VAL A 74 -0.673 -12.960 1.171 1.00 0.46 C ATOM 844 C VAL A 74 -0.859 -11.851 2.202 1.00 0.44 C ATOM 845 O VAL A 74 -1.922 -11.717 2.806 1.00 0.56 O ATOM 846 CB VAL A 74 -1.446 -12.623 -0.128 1.00 0.62 C ATOM 847 CG1 VAL A 74 -2.952 -12.630 0.100 1.00 1.50 C ATOM 848 CG2 VAL A 74 -0.997 -11.285 -0.694 1.00 1.31 C ATOM 0 H VAL A 74 -1.971 -14.234 2.203 1.00 0.48 H new ATOM 0 HA VAL A 74 0.387 -13.029 0.926 1.00 0.46 H new ATOM 0 HB VAL A 74 -1.216 -13.401 -0.857 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -3.462 -12.389 -0.833 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -3.264 -13.618 0.440 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -3.209 -11.888 0.856 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -1.554 -11.070 -1.606 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.183 -10.499 0.038 1.00 1.31 H new ATOM 0 HG23 VAL A 74 0.068 -11.325 -0.921 1.00 1.31 H new ATOM 858 N LYS A 75 0.195 -11.080 2.419 1.00 0.44 N ATOM 859 CA LYS A 75 0.143 -9.940 3.317 1.00 0.52 C ATOM 860 C LYS A 75 0.212 -8.661 2.498 1.00 0.42 C ATOM 861 O LYS A 75 1.222 -8.383 1.850 1.00 0.45 O ATOM 862 CB LYS A 75 1.295 -9.982 4.325 1.00 0.76 C ATOM 863 CG LYS A 75 1.320 -11.230 5.193 1.00 1.20 C ATOM 864 CD LYS A 75 0.083 -11.338 6.072 1.00 1.52 C ATOM 865 CE LYS A 75 -0.011 -10.193 7.071 1.00 1.90 C ATOM 866 NZ LYS A 75 -1.182 -10.343 7.977 1.00 2.58 N ATOM 0 H LYS A 75 1.104 -11.226 1.980 1.00 0.44 H new ATOM 0 HA LYS A 75 -0.792 -9.972 3.877 1.00 0.52 H new ATOM 0 HB2 LYS A 75 2.239 -9.911 3.784 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.230 -9.106 4.970 1.00 0.76 H new ATOM 0 HG2 LYS A 75 1.391 -12.112 4.557 1.00 1.20 H new ATOM 0 HG3 LYS A 75 2.211 -11.217 5.821 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -0.808 -11.345 5.444 1.00 1.52 H new ATOM 0 HD3 LYS A 75 0.102 -12.286 6.609 1.00 1.52 H new ATOM 0 HE2 LYS A 75 0.903 -10.152 7.663 1.00 1.90 H new ATOM 0 HE3 LYS A 75 -0.086 -9.248 6.534 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 -1.221 -9.535 8.631 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 -2.055 -10.374 7.413 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 -1.089 -11.225 8.521 1.00 2.58 H new ATOM 880 N VAL A 76 -0.867 -7.900 2.508 1.00 0.42 N ATOM 881 CA VAL A 76 -0.955 -6.708 1.683 1.00 0.39 C ATOM 882 C VAL A 76 -0.961 -5.443 2.537 1.00 0.38 C ATOM 883 O VAL A 76 -1.656 -5.369 3.554 1.00 0.50 O ATOM 884 CB VAL A 76 -2.224 -6.736 0.811 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.221 -5.595 -0.187 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.362 -8.072 0.097 1.00 1.16 C ATOM 0 H VAL A 76 -1.693 -8.085 3.077 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.075 -6.696 1.039 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.085 -6.610 1.468 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -3.128 -5.637 -0.791 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -2.184 -4.645 0.346 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.349 -5.681 -0.835 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.266 -8.067 -0.512 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.494 -8.234 -0.542 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.425 -8.873 0.833 1.00 1.16 H new ATOM 896 N LEU A 77 -0.173 -4.464 2.120 1.00 0.35 N ATOM 897 CA LEU A 77 -0.115 -3.167 2.776 1.00 0.41 C ATOM 898 C LEU A 77 -0.372 -2.056 1.762 1.00 0.39 C ATOM 899 O LEU A 77 0.219 -2.040 0.685 1.00 0.43 O ATOM 900 CB LEU A 77 1.255 -2.973 3.436 1.00 0.54 C ATOM 901 CG LEU A 77 1.528 -1.575 4.006 1.00 0.62 C ATOM 902 CD1 LEU A 77 0.550 -1.237 5.120 1.00 0.90 C ATOM 903 CD2 LEU A 77 2.958 -1.480 4.510 1.00 1.35 C ATOM 0 H LEU A 77 0.447 -4.547 1.314 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.885 -3.125 3.546 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.355 -3.700 4.242 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.027 -3.203 2.702 1.00 0.54 H new ATOM 0 HG LEU A 77 1.389 -0.850 3.204 1.00 0.62 H new ATOM 0 HD11 LEU A 77 0.767 -0.241 5.505 1.00 0.90 H new ATOM 0 HD12 LEU A 77 -0.468 -1.262 4.731 1.00 0.90 H new ATOM 0 HD13 LEU A 77 0.648 -1.966 5.924 1.00 0.90 H new ATOM 0 HD21 LEU A 77 3.137 -0.482 4.911 1.00 1.35 H new ATOM 0 HD22 LEU A 77 3.117 -2.221 5.294 1.00 1.35 H new ATOM 0 HD23 LEU A 77 3.647 -1.669 3.687 1.00 1.35 H new ATOM 915 N VAL A 78 -1.270 -1.147 2.100 1.00 0.37 N ATOM 916 CA VAL A 78 -1.575 -0.012 1.239 1.00 0.36 C ATOM 917 C VAL A 78 -1.133 1.288 1.899 1.00 0.36 C ATOM 918 O VAL A 78 -1.509 1.570 3.039 1.00 0.38 O ATOM 919 CB VAL A 78 -3.083 0.070 0.925 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.383 1.232 -0.007 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.581 -1.236 0.328 1.00 1.01 C ATOM 0 H VAL A 78 -1.804 -1.171 2.969 1.00 0.37 H new ATOM 0 HA VAL A 78 -1.031 -0.157 0.306 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.612 0.243 1.863 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.453 1.267 -0.212 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.073 2.165 0.463 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -2.838 1.099 -0.942 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.647 -1.155 0.114 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.041 -1.443 -0.596 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.413 -2.047 1.036 1.00 1.01 H new ATOM 931 N LEU A 79 -0.334 2.073 1.190 1.00 0.38 N ATOM 932 CA LEU A 79 0.132 3.347 1.714 1.00 0.40 C ATOM 933 C LEU A 79 -0.619 4.490 1.051 1.00 0.37 C ATOM 934 O LEU A 79 -0.293 4.895 -0.066 1.00 0.41 O ATOM 935 CB LEU A 79 1.639 3.537 1.486 1.00 0.46 C ATOM 936 CG LEU A 79 2.545 2.397 1.961 1.00 0.58 C ATOM 937 CD1 LEU A 79 3.999 2.842 1.959 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.143 1.922 3.349 1.00 1.37 C ATOM 0 H LEU A 79 0.004 1.850 0.254 1.00 0.38 H new ATOM 0 HA LEU A 79 -0.057 3.347 2.787 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.808 3.687 0.420 1.00 0.46 H new ATOM 0 HB3 LEU A 79 1.949 4.453 1.989 1.00 0.46 H new ATOM 0 HG LEU A 79 2.429 1.563 1.269 1.00 0.58 H new ATOM 0 HD11 LEU A 79 4.631 2.022 2.299 1.00 1.23 H new ATOM 0 HD12 LEU A 79 4.290 3.130 0.949 1.00 1.23 H new ATOM 0 HD13 LEU A 79 4.120 3.694 2.628 1.00 1.23 H new ATOM 0 HD21 LEU A 79 2.802 1.112 3.662 1.00 1.37 H new ATOM 0 HD22 LEU A 79 2.224 2.749 4.054 1.00 1.37 H new ATOM 0 HD23 LEU A 79 1.114 1.564 3.327 1.00 1.37 H new ATOM 950 N ILE A 80 -1.623 5.008 1.736 1.00 0.41 N ATOM 951 CA ILE A 80 -2.367 6.151 1.235 1.00 0.43 C ATOM 952 C ILE A 80 -1.673 7.434 1.665 1.00 0.41 C ATOM 953 O ILE A 80 -1.296 7.583 2.824 1.00 0.42 O ATOM 954 CB ILE A 80 -3.838 6.147 1.715 1.00 0.54 C ATOM 955 CG1 ILE A 80 -3.919 6.061 3.245 1.00 1.23 C ATOM 956 CG2 ILE A 80 -4.595 4.992 1.072 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.333 6.108 3.788 1.00 1.40 C ATOM 0 H ILE A 80 -1.942 4.657 2.639 1.00 0.41 H new ATOM 0 HA ILE A 80 -2.388 6.088 0.147 1.00 0.43 H new ATOM 0 HB ILE A 80 -4.301 7.085 1.409 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -3.445 5.136 3.573 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.347 6.883 3.676 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -5.629 4.998 1.416 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -4.573 5.101 -0.012 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -4.125 4.049 1.351 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -5.307 6.042 4.876 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.805 7.045 3.492 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -5.905 5.271 3.387 1.00 1.40 H new ATOM 969 N THR A 81 -1.477 8.348 0.736 1.00 0.60 N ATOM 970 CA THR A 81 -0.721 9.549 1.028 1.00 0.69 C ATOM 971 C THR A 81 -1.451 10.791 0.535 1.00 0.79 C ATOM 972 O THR A 81 -2.237 10.731 -0.415 1.00 1.20 O ATOM 973 CB THR A 81 0.691 9.489 0.399 1.00 1.13 C ATOM 974 OG1 THR A 81 1.505 10.547 0.912 1.00 2.07 O ATOM 975 CG2 THR A 81 0.628 9.598 -1.115 1.00 1.92 C ATOM 0 H THR A 81 -1.827 8.283 -0.220 1.00 0.60 H new ATOM 0 HA THR A 81 -0.618 9.609 2.111 1.00 0.69 H new ATOM 0 HB THR A 81 1.127 8.525 0.661 1.00 1.13 H new ATOM 0 HG1 THR A 81 1.399 10.599 1.885 1.00 2.07 H new ATOM 0 HG21 THR A 81 1.637 9.552 -1.525 1.00 1.92 H new ATOM 0 HG22 THR A 81 0.036 8.775 -1.515 1.00 1.92 H new ATOM 0 HG23 THR A 81 0.166 10.545 -1.393 1.00 1.92 H new ATOM 983 N GLY A 82 -1.192 11.908 1.196 1.00 0.73 N ATOM 984 CA GLY A 82 -1.768 13.165 0.787 1.00 1.09 C ATOM 985 C GLY A 82 -3.009 13.515 1.574 1.00 0.92 C ATOM 986 O GLY A 82 -3.350 12.840 2.549 1.00 1.03 O ATOM 0 H GLY A 82 -0.587 11.963 2.015 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -1.029 13.957 0.909 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -2.015 13.120 -0.274 1.00 1.09 H new ATOM 990 N SER A 83 -3.674 14.579 1.166 1.00 1.03 N ATOM 991 CA SER A 83 -4.888 15.019 1.824 1.00 1.19 C ATOM 992 C SER A 83 -6.092 14.337 1.189 1.00 1.10 C ATOM 993 O SER A 83 -6.561 14.749 0.127 1.00 1.22 O ATOM 994 CB SER A 83 -5.019 16.539 1.710 1.00 1.61 C ATOM 995 OG SER A 83 -3.816 17.188 2.100 1.00 2.22 O ATOM 0 H SER A 83 -3.391 15.158 0.376 1.00 1.03 H new ATOM 0 HA SER A 83 -4.845 14.749 2.879 1.00 1.19 H new ATOM 0 HB2 SER A 83 -5.265 16.810 0.683 1.00 1.61 H new ATOM 0 HB3 SER A 83 -5.841 16.884 2.337 1.00 1.61 H new ATOM 0 HG SER A 83 -3.926 18.158 2.016 1.00 2.22 H new ATOM 1001 N ALA A 84 -6.576 13.284 1.831 1.00 1.02 N ATOM 1002 CA ALA A 84 -7.721 12.550 1.324 1.00 0.95 C ATOM 1003 C ALA A 84 -8.993 13.364 1.514 1.00 0.97 C ATOM 1004 O ALA A 84 -9.321 13.771 2.630 1.00 1.13 O ATOM 1005 CB ALA A 84 -7.837 11.199 2.014 1.00 0.97 C ATOM 0 H ALA A 84 -6.192 12.920 2.703 1.00 1.02 H new ATOM 0 HA ALA A 84 -7.579 12.375 0.258 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -8.701 10.663 1.621 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -6.934 10.617 1.829 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.959 11.348 3.087 1.00 0.97 H new ATOM 1011 N ASP A 85 -9.681 13.621 0.411 1.00 0.89 N ATOM 1012 CA ASP A 85 -10.927 14.379 0.432 1.00 0.93 C ATOM 1013 C ASP A 85 -11.989 13.644 1.242 1.00 0.81 C ATOM 1014 O ASP A 85 -11.897 12.429 1.392 1.00 0.71 O ATOM 1015 CB ASP A 85 -11.438 14.597 -0.998 1.00 1.02 C ATOM 1016 CG ASP A 85 -10.501 15.438 -1.839 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -9.541 14.879 -2.409 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -10.731 16.662 -1.950 1.00 1.92 O ATOM 0 H ASP A 85 -9.395 13.313 -0.518 1.00 0.89 H new ATOM 0 HA ASP A 85 -10.730 15.344 0.898 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -11.579 13.629 -1.479 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -12.415 15.079 -0.959 1.00 1.02 H new ATOM 1023 N PRO A 86 -12.985 14.358 1.795 1.00 0.92 N ATOM 1024 CA PRO A 86 -14.095 13.738 2.535 1.00 0.95 C ATOM 1025 C PRO A 86 -14.632 12.485 1.844 1.00 0.85 C ATOM 1026 O PRO A 86 -14.846 11.451 2.484 1.00 0.88 O ATOM 1027 CB PRO A 86 -15.150 14.838 2.551 1.00 1.11 C ATOM 1028 CG PRO A 86 -14.366 16.105 2.549 1.00 1.30 C ATOM 1029 CD PRO A 86 -13.101 15.828 1.773 1.00 1.11 C ATOM 0 HA PRO A 86 -13.792 13.399 3.526 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -15.804 14.774 1.681 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -15.786 14.766 3.433 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -14.935 16.912 2.087 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -14.135 16.419 3.567 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -13.167 16.208 0.754 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -12.236 16.304 2.236 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.822 12.583 0.529 1.00 0.82 N ATOM 1038 CA ASP A 87 -15.245 11.442 -0.281 1.00 0.86 C ATOM 1039 C ASP A 87 -14.309 10.257 -0.073 1.00 0.74 C ATOM 1040 O ASP A 87 -14.745 9.153 0.251 1.00 0.79 O ATOM 1041 CB ASP A 87 -15.261 11.805 -1.769 1.00 1.02 C ATOM 1042 CG ASP A 87 -16.466 12.628 -2.175 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -17.560 12.050 -2.333 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -16.324 13.851 -2.362 1.00 2.21 O ATOM 0 H ASP A 87 -14.689 13.445 0.000 1.00 0.82 H new ATOM 0 HA ASP A 87 -16.252 11.171 0.036 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -14.354 12.359 -2.010 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -15.241 10.889 -2.359 1.00 1.02 H new ATOM 1049 N GLU A 88 -13.020 10.513 -0.228 1.00 0.68 N ATOM 1050 CA GLU A 88 -12.009 9.468 -0.149 1.00 0.67 C ATOM 1051 C GLU A 88 -11.845 8.967 1.283 1.00 0.55 C ATOM 1052 O GLU A 88 -11.510 7.807 1.501 1.00 0.54 O ATOM 1053 CB GLU A 88 -10.677 9.989 -0.679 1.00 0.80 C ATOM 1054 CG GLU A 88 -10.774 10.592 -2.071 1.00 1.02 C ATOM 1055 CD GLU A 88 -11.274 9.610 -3.114 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -10.436 9.019 -3.829 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -12.503 9.443 -3.241 1.00 2.32 O ATOM 0 H GLU A 88 -12.646 11.444 -0.411 1.00 0.68 H new ATOM 0 HA GLU A 88 -12.337 8.630 -0.764 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -10.290 10.741 0.008 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -9.956 9.171 -0.695 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -11.442 11.452 -2.041 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -9.793 10.961 -2.369 1.00 1.02 H new ATOM 1064 N LYS A 89 -12.080 9.846 2.255 1.00 0.57 N ATOM 1065 CA LYS A 89 -12.056 9.459 3.663 1.00 0.62 C ATOM 1066 C LYS A 89 -13.089 8.369 3.919 1.00 0.59 C ATOM 1067 O LYS A 89 -12.823 7.390 4.619 1.00 0.64 O ATOM 1068 CB LYS A 89 -12.346 10.662 4.566 1.00 0.77 C ATOM 1069 CG LYS A 89 -11.236 11.700 4.603 1.00 1.34 C ATOM 1070 CD LYS A 89 -9.968 11.138 5.227 1.00 1.77 C ATOM 1071 CE LYS A 89 -8.930 12.225 5.452 1.00 2.39 C ATOM 1072 NZ LYS A 89 -7.661 11.676 5.993 1.00 2.81 N ATOM 0 H LYS A 89 -12.289 10.831 2.093 1.00 0.57 H new ATOM 0 HA LYS A 89 -11.060 9.082 3.896 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -13.265 11.142 4.228 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -12.527 10.305 5.580 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -11.023 12.043 3.590 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -11.568 12.569 5.171 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -10.209 10.661 6.177 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -9.553 10.366 4.579 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -8.732 12.738 4.511 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -9.327 12.969 6.143 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -6.980 12.449 6.132 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -7.845 11.209 6.904 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -7.268 10.985 5.323 1.00 2.81 H new ATOM 1086 N THR A 90 -14.266 8.554 3.342 1.00 0.62 N ATOM 1087 CA THR A 90 -15.331 7.575 3.443 1.00 0.69 C ATOM 1088 C THR A 90 -14.954 6.298 2.698 1.00 0.62 C ATOM 1089 O THR A 90 -15.185 5.187 3.182 1.00 0.69 O ATOM 1090 CB THR A 90 -16.643 8.142 2.870 1.00 0.86 C ATOM 1091 OG1 THR A 90 -16.925 9.409 3.483 1.00 1.33 O ATOM 1092 CG2 THR A 90 -17.803 7.189 3.109 1.00 1.17 C ATOM 0 H THR A 90 -14.507 9.381 2.795 1.00 0.62 H new ATOM 0 HA THR A 90 -15.478 7.341 4.497 1.00 0.69 H new ATOM 0 HB THR A 90 -16.522 8.269 1.794 1.00 0.86 H new ATOM 0 HG1 THR A 90 -16.312 10.087 3.130 1.00 1.33 H new ATOM 0 HG21 THR A 90 -18.716 7.616 2.694 1.00 1.17 H new ATOM 0 HG22 THR A 90 -17.596 6.235 2.625 1.00 1.17 H new ATOM 0 HG23 THR A 90 -17.930 7.032 4.180 1.00 1.17 H new ATOM 1100 N LYS A 91 -14.347 6.470 1.530 1.00 0.57 N ATOM 1101 CA LYS A 91 -13.960 5.347 0.689 1.00 0.64 C ATOM 1102 C LYS A 91 -12.883 4.496 1.350 1.00 0.63 C ATOM 1103 O LYS A 91 -12.971 3.274 1.343 1.00 0.73 O ATOM 1104 CB LYS A 91 -13.463 5.840 -0.670 1.00 0.73 C ATOM 1105 CG LYS A 91 -14.525 6.552 -1.494 1.00 1.06 C ATOM 1106 CD LYS A 91 -15.777 5.704 -1.637 1.00 1.51 C ATOM 1107 CE LYS A 91 -16.654 6.182 -2.782 1.00 1.83 C ATOM 1108 NZ LYS A 91 -15.931 6.144 -4.081 1.00 2.41 N ATOM 0 H LYS A 91 -14.111 7.384 1.143 1.00 0.57 H new ATOM 0 HA LYS A 91 -14.846 4.728 0.547 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -12.623 6.517 -0.515 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -13.086 4.990 -1.238 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -14.779 7.501 -1.021 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -14.126 6.784 -2.482 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -15.495 4.665 -1.805 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -16.345 5.734 -0.707 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -17.545 5.557 -2.843 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -16.991 7.199 -2.582 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -16.568 5.791 -4.823 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -15.610 7.102 -4.328 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -15.108 5.513 -4.002 1.00 2.41 H new ATOM 1122 N ALA A 92 -11.887 5.142 1.945 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.746 4.434 2.498 1.00 0.67 C ATOM 1124 C ALA A 92 -11.155 3.614 3.706 1.00 0.68 C ATOM 1125 O ALA A 92 -10.733 2.471 3.858 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.634 5.405 2.868 1.00 0.74 C ATOM 0 H ALA A 92 -11.849 6.155 2.055 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.369 3.755 1.733 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.790 4.852 3.280 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.313 5.947 1.978 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -10.001 6.113 3.611 1.00 0.74 H new ATOM 1132 N LYS A 93 -12.000 4.191 4.552 1.00 0.64 N ATOM 1133 CA LYS A 93 -12.433 3.508 5.759 1.00 0.71 C ATOM 1134 C LYS A 93 -13.337 2.327 5.412 1.00 0.70 C ATOM 1135 O LYS A 93 -13.345 1.308 6.104 1.00 0.79 O ATOM 1136 CB LYS A 93 -13.156 4.472 6.704 1.00 0.80 C ATOM 1137 CG LYS A 93 -13.494 3.858 8.056 1.00 1.09 C ATOM 1138 CD LYS A 93 -14.144 4.870 8.985 1.00 1.56 C ATOM 1139 CE LYS A 93 -14.379 4.291 10.371 1.00 2.00 C ATOM 1140 NZ LYS A 93 -15.319 3.138 10.345 1.00 2.44 N ATOM 0 H LYS A 93 -12.395 5.123 4.424 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.547 3.130 6.269 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -12.532 5.352 6.859 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -14.076 4.813 6.229 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -14.165 3.011 7.914 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -12.586 3.471 8.518 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -13.510 5.753 9.062 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -15.094 5.196 8.561 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -13.427 3.972 10.796 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -14.776 5.067 11.025 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -15.543 2.850 11.319 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -16.194 3.415 9.856 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -14.878 2.342 9.842 1.00 2.44 H new ATOM 1154 N LYS A 94 -14.090 2.473 4.331 1.00 0.66 N ATOM 1155 CA LYS A 94 -14.966 1.412 3.857 1.00 0.71 C ATOM 1156 C LYS A 94 -14.157 0.331 3.151 1.00 0.67 C ATOM 1157 O LYS A 94 -14.339 -0.863 3.395 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.017 1.985 2.908 1.00 0.78 C ATOM 1159 CG LYS A 94 -16.952 0.936 2.337 1.00 1.36 C ATOM 1160 CD LYS A 94 -17.989 1.552 1.417 1.00 1.79 C ATOM 1161 CE LYS A 94 -18.947 0.500 0.888 1.00 2.57 C ATOM 1162 NZ LYS A 94 -19.622 -0.237 1.990 1.00 2.85 N ATOM 0 H LYS A 94 -14.111 3.320 3.764 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.469 0.966 4.715 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -16.605 2.734 3.439 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -15.514 2.497 2.088 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -16.374 0.193 1.788 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -17.453 0.412 3.151 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -18.547 2.318 1.955 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -17.491 2.047 0.583 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -19.697 0.976 0.256 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -18.402 -0.205 0.260 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -20.429 -0.771 1.608 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -18.949 -0.896 2.431 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -19.961 0.440 2.703 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.256 0.763 2.280 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.419 -0.153 1.524 1.00 0.60 C ATOM 1178 C ALA A 95 -11.517 -0.957 2.450 1.00 0.57 C ATOM 1179 O ALA A 95 -11.391 -2.168 2.297 1.00 0.57 O ATOM 1180 CB ALA A 95 -11.592 0.611 0.501 1.00 0.63 C ATOM 0 H ALA A 95 -13.087 1.749 2.080 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.067 -0.853 0.996 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -10.970 -0.087 -0.058 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.257 1.135 -0.186 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -10.957 1.333 1.013 1.00 0.63 H new ATOM 1186 N ALA A 96 -10.908 -0.282 3.422 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.033 -0.943 4.388 1.00 0.58 C ATOM 1188 C ALA A 96 -10.809 -1.945 5.234 1.00 0.56 C ATOM 1189 O ALA A 96 -10.258 -2.944 5.694 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.357 0.083 5.283 1.00 0.64 C ATOM 0 H ALA A 96 -11.004 0.724 3.562 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.268 -1.485 3.831 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.709 -0.427 5.996 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -8.761 0.762 4.673 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.115 0.651 5.823 1.00 0.64 H new ATOM 1196 N GLU A 97 -12.090 -1.668 5.432 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.960 -2.548 6.195 1.00 0.63 C ATOM 1198 C GLU A 97 -13.148 -3.871 5.460 1.00 0.55 C ATOM 1199 O GLU A 97 -13.010 -4.948 6.044 1.00 0.58 O ATOM 1200 CB GLU A 97 -14.310 -1.867 6.424 1.00 0.80 C ATOM 1201 CG GLU A 97 -15.276 -2.670 7.276 1.00 1.46 C ATOM 1202 CD GLU A 97 -16.574 -1.931 7.517 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -16.598 -1.043 8.395 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -17.576 -2.237 6.839 1.00 2.39 O ATOM 0 H GLU A 97 -12.552 -0.833 5.071 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.500 -2.755 7.162 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -14.141 -0.901 6.899 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -14.773 -1.670 5.457 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -15.486 -3.621 6.786 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -14.808 -2.901 8.233 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.442 -3.779 4.170 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.628 -4.960 3.339 1.00 0.57 C ATOM 1213 C GLU A 98 -12.286 -5.638 3.072 1.00 0.52 C ATOM 1214 O GLU A 98 -12.173 -6.864 3.125 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.297 -4.573 2.019 1.00 0.66 C ATOM 1216 CG GLU A 98 -14.722 -5.763 1.176 1.00 1.40 C ATOM 1217 CD GLU A 98 -15.393 -5.352 -0.117 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -16.608 -5.063 -0.100 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -14.714 -5.323 -1.161 1.00 2.66 O ATOM 0 H GLU A 98 -13.557 -2.895 3.675 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.272 -5.662 3.868 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -15.172 -3.959 2.232 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -13.609 -3.957 1.440 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -13.848 -6.373 0.949 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -15.405 -6.387 1.753 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.268 -4.824 2.804 1.00 0.46 N ATOM 1227 CA ALA A 99 -9.927 -5.322 2.516 1.00 0.49 C ATOM 1228 C ALA A 99 -9.325 -6.031 3.723 1.00 0.46 C ATOM 1229 O ALA A 99 -8.452 -6.885 3.579 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.028 -4.183 2.064 1.00 0.58 C ATOM 0 H ALA A 99 -11.349 -3.807 2.781 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.006 -6.051 1.709 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.031 -4.569 1.853 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -9.440 -3.730 1.163 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -8.967 -3.433 2.852 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.803 -5.682 4.910 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.354 -6.325 6.140 1.00 0.53 C ATOM 1238 C ARG A 100 -9.667 -7.816 6.103 1.00 0.51 C ATOM 1239 O ARG A 100 -8.942 -8.630 6.674 1.00 0.56 O ATOM 1240 CB ARG A 100 -10.026 -5.676 7.351 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.533 -6.203 8.690 1.00 1.22 C ATOM 1242 CD ARG A 100 -10.166 -5.449 9.847 1.00 1.52 C ATOM 1243 NE ARG A 100 -11.624 -5.554 9.832 1.00 2.17 N ATOM 1244 CZ ARG A 100 -12.446 -4.615 10.299 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -11.958 -3.491 10.808 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -13.757 -4.802 10.252 1.00 3.77 N ATOM 0 H ARG A 100 -10.504 -4.954 5.048 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.275 -6.197 6.226 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -9.859 -4.600 7.312 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -11.102 -5.834 7.284 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -9.766 -7.264 8.774 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -8.448 -6.110 8.743 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -9.783 -5.841 10.789 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -9.877 -4.399 9.798 1.00 1.52 H new ATOM 0 HE ARG A 100 -12.038 -6.399 9.439 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -10.949 -3.343 10.843 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -12.591 -2.775 11.164 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -14.135 -5.664 9.859 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -14.388 -4.084 10.609 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.738 -8.168 5.401 1.00 0.51 N ATOM 1261 CA LYS A 101 -11.147 -9.560 5.267 1.00 0.58 C ATOM 1262 C LYS A 101 -10.349 -10.248 4.162 1.00 0.63 C ATOM 1263 O LYS A 101 -10.458 -11.458 3.958 1.00 0.81 O ATOM 1264 CB LYS A 101 -12.644 -9.641 4.969 1.00 0.74 C ATOM 1265 CG LYS A 101 -13.512 -8.989 6.031 1.00 1.37 C ATOM 1266 CD LYS A 101 -14.984 -9.051 5.660 1.00 1.81 C ATOM 1267 CE LYS A 101 -15.852 -8.336 6.683 1.00 2.63 C ATOM 1268 NZ LYS A 101 -15.773 -8.967 8.028 1.00 3.24 N ATOM 0 H LYS A 101 -11.341 -7.505 4.914 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.947 -10.074 6.207 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -12.841 -9.165 4.008 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.930 -10.688 4.871 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -13.355 -9.488 6.987 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -13.212 -7.949 6.160 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -15.131 -8.600 4.679 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -15.296 -10.092 5.582 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -15.542 -7.293 6.754 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -16.888 -8.338 6.343 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -16.491 -8.546 8.652 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -15.945 -9.989 7.943 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -14.828 -8.808 8.431 1.00 3.24 H new ATOM 1282 N TRP A 102 -9.557 -9.463 3.444 1.00 0.57 N ATOM 1283 CA TRP A 102 -8.666 -9.995 2.421 1.00 0.71 C ATOM 1284 C TRP A 102 -7.233 -10.010 2.944 1.00 0.64 C ATOM 1285 O TRP A 102 -6.291 -10.282 2.197 1.00 0.73 O ATOM 1286 CB TRP A 102 -8.739 -9.159 1.139 1.00 0.84 C ATOM 1287 CG TRP A 102 -10.061 -9.229 0.432 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -11.107 -8.362 0.558 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -10.473 -10.217 -0.521 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -12.142 -8.749 -0.254 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -11.780 -9.884 -0.927 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -9.867 -11.349 -1.069 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -12.488 -10.642 -1.855 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -10.572 -12.100 -1.992 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -11.871 -11.744 -2.375 1.00 2.21 C ATOM 0 H TRP A 102 -9.513 -8.450 3.552 1.00 0.57 H new ATOM 0 HA TRP A 102 -8.982 -11.011 2.186 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -8.526 -8.119 1.385 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -7.957 -9.492 0.457 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -11.118 -7.496 1.204 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -13.037 -8.268 -0.342 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -8.867 -11.633 -0.778 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -13.489 -10.369 -2.153 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -10.113 -12.976 -2.425 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -12.396 -12.353 -3.096 1.00 2.21 H new ATOM 1306 N ASN A 103 -7.094 -9.710 4.239 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.795 -9.655 4.916 1.00 0.64 C ATOM 1308 C ASN A 103 -4.962 -8.486 4.382 1.00 0.56 C ATOM 1309 O ASN A 103 -3.745 -8.580 4.203 1.00 0.70 O ATOM 1310 CB ASN A 103 -5.059 -10.999 4.770 1.00 0.89 C ATOM 1311 CG ASN A 103 -3.879 -11.149 5.714 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -3.780 -10.470 6.738 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -2.986 -12.067 5.390 1.00 2.00 N ATOM 0 H ASN A 103 -7.883 -9.498 4.850 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.955 -9.482 5.980 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -5.763 -11.811 4.950 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -4.708 -11.102 3.743 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -2.182 -12.233 5.996 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -3.100 -12.610 4.534 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.645 -7.374 4.132 1.00 0.46 N ATOM 1321 CA VAL A 104 -5.005 -6.152 3.662 1.00 0.45 C ATOM 1322 C VAL A 104 -5.022 -5.092 4.763 1.00 0.48 C ATOM 1323 O VAL A 104 -6.026 -4.928 5.456 1.00 0.63 O ATOM 1324 CB VAL A 104 -5.726 -5.587 2.417 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.008 -4.360 1.876 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -5.869 -6.649 1.337 1.00 0.99 C ATOM 0 H VAL A 104 -6.655 -7.295 4.249 1.00 0.46 H new ATOM 0 HA VAL A 104 -3.977 -6.399 3.396 1.00 0.45 H new ATOM 0 HB VAL A 104 -6.726 -5.283 2.725 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -5.538 -3.985 1.001 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -4.981 -3.586 2.643 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -3.989 -4.629 1.596 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.380 -6.223 0.473 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -4.881 -6.999 1.038 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.449 -7.487 1.725 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.914 -4.381 4.924 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.825 -3.315 5.915 1.00 0.48 C ATOM 1338 C ARG A 105 -3.494 -1.985 5.238 1.00 0.44 C ATOM 1339 O ARG A 105 -2.823 -1.956 4.207 1.00 0.51 O ATOM 1340 CB ARG A 105 -2.772 -3.651 6.976 1.00 0.59 C ATOM 1341 CG ARG A 105 -1.387 -3.917 6.408 1.00 1.28 C ATOM 1342 CD ARG A 105 -0.342 -4.052 7.504 1.00 1.72 C ATOM 1343 NE ARG A 105 -0.604 -5.183 8.393 1.00 2.38 N ATOM 1344 CZ ARG A 105 -0.346 -5.177 9.701 1.00 3.11 C ATOM 1345 NH1 ARG A 105 0.082 -4.071 10.291 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -0.544 -6.271 10.425 1.00 4.06 N ATOM 0 H ARG A 105 -3.063 -4.523 4.381 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.792 -3.223 6.409 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -2.710 -2.826 7.686 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -3.100 -4.528 7.534 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -1.408 -4.829 5.812 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -1.107 -3.104 5.737 1.00 1.28 H new ATOM 0 HD2 ARG A 105 0.642 -4.171 7.050 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -0.314 -3.133 8.090 1.00 1.72 H new ATOM 0 HE ARG A 105 -1.008 -6.027 7.988 1.00 2.38 H new ATOM 0 HH11 ARG A 105 0.215 -3.220 9.744 1.00 3.33 H new ATOM 0 HH12 ARG A 105 0.278 -4.070 11.292 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -0.895 -7.120 9.981 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -0.346 -6.263 11.425 1.00 4.06 H new ATOM 1360 N VAL A 106 -3.965 -0.888 5.822 1.00 0.47 N ATOM 1361 CA VAL A 106 -3.777 0.439 5.240 1.00 0.48 C ATOM 1362 C VAL A 106 -3.059 1.373 6.216 1.00 0.50 C ATOM 1363 O VAL A 106 -3.295 1.325 7.427 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.127 1.076 4.824 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.829 0.222 3.778 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -6.028 1.283 6.033 1.00 1.58 C ATOM 0 H VAL A 106 -4.482 -0.891 6.701 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.162 0.308 4.350 1.00 0.48 H new ATOM 0 HB VAL A 106 -4.915 2.051 4.386 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.774 0.689 3.502 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -5.196 0.134 2.895 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -6.021 -0.770 4.187 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -6.969 1.731 5.713 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -6.227 0.322 6.507 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -5.535 1.944 6.745 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.174 2.208 5.689 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.450 3.188 6.493 1.00 0.58 C ATOM 1378 C ARG A 107 -1.314 4.499 5.729 1.00 0.49 C ATOM 1379 O ARG A 107 -1.221 4.499 4.502 1.00 0.48 O ATOM 1380 CB ARG A 107 -0.068 2.652 6.881 1.00 0.74 C ATOM 1381 CG ARG A 107 -0.119 1.577 7.955 1.00 1.02 C ATOM 1382 CD ARG A 107 1.256 1.008 8.257 1.00 0.90 C ATOM 1383 NE ARG A 107 1.218 0.085 9.388 1.00 1.58 N ATOM 1384 CZ ARG A 107 2.074 -0.918 9.577 1.00 2.15 C ATOM 1385 NH1 ARG A 107 3.030 -1.169 8.689 1.00 2.26 N ATOM 1386 NH2 ARG A 107 1.970 -1.677 10.658 1.00 3.00 N ATOM 0 H ARG A 107 -1.937 2.227 4.697 1.00 0.46 H new ATOM 0 HA ARG A 107 -2.016 3.372 7.406 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.419 2.247 5.994 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.549 3.479 7.233 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -0.546 1.995 8.866 1.00 1.02 H new ATOM 0 HG3 ARG A 107 -0.781 0.773 7.632 1.00 1.02 H new ATOM 0 HD2 ARG A 107 1.638 0.491 7.377 1.00 0.90 H new ATOM 0 HD3 ARG A 107 1.948 1.822 8.474 1.00 0.90 H new ATOM 0 HE ARG A 107 0.483 0.218 10.083 1.00 1.58 H new ATOM 0 HH11 ARG A 107 3.114 -0.591 7.853 1.00 2.26 H new ATOM 0 HH12 ARG A 107 3.680 -1.940 8.844 1.00 2.26 H new ATOM 0 HH21 ARG A 107 1.236 -1.492 11.342 1.00 3.00 H new ATOM 0 HH22 ARG A 107 2.624 -2.446 10.806 1.00 3.00 H new ATOM 1400 N THR A 108 -1.319 5.613 6.451 1.00 0.56 N ATOM 1401 CA THR A 108 -1.240 6.924 5.825 1.00 0.51 C ATOM 1402 C THR A 108 0.189 7.456 5.833 1.00 0.52 C ATOM 1403 O THR A 108 0.865 7.457 6.864 1.00 0.66 O ATOM 1404 CB THR A 108 -2.166 7.940 6.521 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.465 7.360 6.706 1.00 0.86 O ATOM 1406 CG2 THR A 108 -2.292 9.221 5.700 1.00 0.68 C ATOM 0 H THR A 108 -1.377 5.633 7.469 1.00 0.56 H new ATOM 0 HA THR A 108 -1.568 6.799 4.793 1.00 0.51 H new ATOM 0 HB THR A 108 -1.731 8.192 7.488 1.00 0.59 H new ATOM 0 HG1 THR A 108 -4.052 8.007 7.150 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.951 9.920 6.215 1.00 0.68 H new ATOM 0 HG22 THR A 108 -1.308 9.673 5.578 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.707 8.986 4.720 1.00 0.68 H new ATOM 1414 N VAL A 109 0.637 7.897 4.671 1.00 0.47 N ATOM 1415 CA VAL A 109 1.957 8.476 4.516 1.00 0.55 C ATOM 1416 C VAL A 109 1.848 9.986 4.364 1.00 0.57 C ATOM 1417 O VAL A 109 1.113 10.479 3.510 1.00 0.62 O ATOM 1418 CB VAL A 109 2.680 7.888 3.287 1.00 0.67 C ATOM 1419 CG1 VAL A 109 4.017 8.574 3.058 1.00 1.51 C ATOM 1420 CG2 VAL A 109 2.868 6.387 3.454 1.00 1.05 C ATOM 0 H VAL A 109 0.094 7.863 3.808 1.00 0.47 H new ATOM 0 HA VAL A 109 2.537 8.237 5.408 1.00 0.55 H new ATOM 0 HB VAL A 109 2.059 8.067 2.409 1.00 0.67 H new ATOM 0 HG11 VAL A 109 4.504 8.139 2.185 1.00 1.51 H new ATOM 0 HG12 VAL A 109 3.856 9.639 2.891 1.00 1.51 H new ATOM 0 HG13 VAL A 109 4.651 8.437 3.934 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.379 5.985 2.579 1.00 1.05 H new ATOM 0 HG22 VAL A 109 3.465 6.192 4.345 1.00 1.05 H new ATOM 0 HG23 VAL A 109 1.895 5.908 3.557 1.00 1.05 H new ATOM 1430 N THR A 110 2.560 10.717 5.203 1.00 0.70 N ATOM 1431 CA THR A 110 2.560 12.167 5.128 1.00 0.84 C ATOM 1432 C THR A 110 3.833 12.669 4.445 1.00 0.84 C ATOM 1433 O THR A 110 3.847 13.734 3.823 1.00 0.97 O ATOM 1434 CB THR A 110 2.452 12.788 6.533 1.00 1.02 C ATOM 1435 OG1 THR A 110 1.517 12.041 7.326 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.998 14.239 6.457 1.00 1.45 C ATOM 0 H THR A 110 3.145 10.331 5.944 1.00 0.70 H new ATOM 0 HA THR A 110 1.694 12.471 4.540 1.00 0.84 H new ATOM 0 HB THR A 110 3.439 12.755 6.993 1.00 1.02 H new ATOM 0 HG1 THR A 110 1.454 12.440 8.219 1.00 1.55 H new ATOM 0 HG21 THR A 110 1.930 14.652 7.463 1.00 1.45 H new ATOM 0 HG22 THR A 110 2.718 14.815 5.876 1.00 1.45 H new ATOM 0 HG23 THR A 110 1.020 14.290 5.978 1.00 1.45 H new ATOM 1444 N SER A 111 4.894 11.879 4.547 1.00 0.79 N ATOM 1445 CA SER A 111 6.193 12.262 4.016 1.00 0.85 C ATOM 1446 C SER A 111 6.961 11.017 3.561 1.00 0.76 C ATOM 1447 O SER A 111 6.780 9.947 4.140 1.00 0.69 O ATOM 1448 CB SER A 111 6.977 13.021 5.097 1.00 0.96 C ATOM 1449 OG SER A 111 8.156 13.609 4.578 1.00 1.52 O ATOM 0 H SER A 111 4.878 10.963 4.996 1.00 0.79 H new ATOM 0 HA SER A 111 6.060 12.913 3.152 1.00 0.85 H new ATOM 0 HB2 SER A 111 6.344 13.796 5.528 1.00 0.96 H new ATOM 0 HB3 SER A 111 7.237 12.337 5.905 1.00 0.96 H new ATOM 0 HG SER A 111 8.627 14.084 5.294 1.00 1.52 H new ATOM 1455 N PRO A 112 7.790 11.131 2.503 1.00 0.82 N ATOM 1456 CA PRO A 112 8.560 10.009 1.940 1.00 0.80 C ATOM 1457 C PRO A 112 9.153 9.064 2.989 1.00 0.70 C ATOM 1458 O PRO A 112 8.958 7.847 2.920 1.00 0.74 O ATOM 1459 CB PRO A 112 9.676 10.720 1.181 1.00 0.95 C ATOM 1460 CG PRO A 112 9.051 11.985 0.704 1.00 1.05 C ATOM 1461 CD PRO A 112 8.028 12.376 1.743 1.00 0.97 C ATOM 0 HA PRO A 112 7.927 9.360 1.335 1.00 0.80 H new ATOM 0 HB2 PRO A 112 10.532 10.918 1.826 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.037 10.117 0.348 1.00 0.95 H new ATOM 0 HG2 PRO A 112 9.801 12.767 0.584 1.00 1.05 H new ATOM 0 HG3 PRO A 112 8.581 11.843 -0.269 1.00 1.05 H new ATOM 0 HD2 PRO A 112 8.400 13.172 2.388 1.00 0.97 H new ATOM 0 HD3 PRO A 112 7.111 12.742 1.281 1.00 0.97 H new ATOM 1469 N ASP A 113 9.851 9.629 3.969 1.00 0.67 N ATOM 1470 CA ASP A 113 10.560 8.834 4.974 1.00 0.66 C ATOM 1471 C ASP A 113 9.606 7.946 5.766 1.00 0.59 C ATOM 1472 O ASP A 113 9.981 6.854 6.201 1.00 0.63 O ATOM 1473 CB ASP A 113 11.332 9.741 5.934 1.00 0.74 C ATOM 1474 CG ASP A 113 12.389 10.563 5.231 1.00 1.73 C ATOM 1475 OD1 ASP A 113 13.468 10.019 4.915 1.00 2.48 O ATOM 1476 OD2 ASP A 113 12.145 11.761 4.984 1.00 2.44 O ATOM 0 H ASP A 113 9.943 10.637 4.091 1.00 0.67 H new ATOM 0 HA ASP A 113 11.261 8.193 4.440 1.00 0.66 H new ATOM 0 HB2 ASP A 113 10.634 10.408 6.439 1.00 0.74 H new ATOM 0 HB3 ASP A 113 11.804 9.131 6.705 1.00 0.74 H new ATOM 1481 N GLU A 114 8.373 8.410 5.934 1.00 0.57 N ATOM 1482 CA GLU A 114 7.366 7.659 6.671 1.00 0.60 C ATOM 1483 C GLU A 114 7.012 6.382 5.913 1.00 0.52 C ATOM 1484 O GLU A 114 6.835 5.320 6.507 1.00 0.52 O ATOM 1485 CB GLU A 114 6.098 8.502 6.870 1.00 0.73 C ATOM 1486 CG GLU A 114 6.351 9.919 7.376 1.00 1.18 C ATOM 1487 CD GLU A 114 7.000 9.963 8.745 1.00 1.99 C ATOM 1488 OE1 GLU A 114 8.166 10.399 8.842 1.00 2.63 O ATOM 1489 OE2 GLU A 114 6.344 9.570 9.733 1.00 2.70 O ATOM 0 H GLU A 114 8.047 9.305 5.569 1.00 0.57 H new ATOM 0 HA GLU A 114 7.776 7.404 7.648 1.00 0.60 H new ATOM 0 HB2 GLU A 114 5.563 8.559 5.922 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.444 7.990 7.575 1.00 0.73 H new ATOM 0 HG2 GLU A 114 6.988 10.443 6.663 1.00 1.18 H new ATOM 0 HG3 GLU A 114 5.404 10.458 7.414 1.00 1.18 H new ATOM 1496 N ALA A 115 6.941 6.494 4.590 1.00 0.55 N ATOM 1497 CA ALA A 115 6.551 5.378 3.736 1.00 0.58 C ATOM 1498 C ALA A 115 7.600 4.278 3.746 1.00 0.51 C ATOM 1499 O ALA A 115 7.277 3.107 3.938 1.00 0.51 O ATOM 1500 CB ALA A 115 6.313 5.856 2.314 1.00 0.70 C ATOM 0 H ALA A 115 7.150 7.354 4.083 1.00 0.55 H new ATOM 0 HA ALA A 115 5.624 4.966 4.134 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.023 5.011 1.690 1.00 0.70 H new ATOM 0 HB2 ALA A 115 5.517 6.601 2.309 1.00 0.70 H new ATOM 0 HB3 ALA A 115 7.228 6.300 1.921 1.00 0.70 H new ATOM 1506 N LYS A 116 8.860 4.659 3.548 1.00 0.51 N ATOM 1507 CA LYS A 116 9.951 3.689 3.534 1.00 0.51 C ATOM 1508 C LYS A 116 10.056 2.985 4.878 1.00 0.44 C ATOM 1509 O LYS A 116 10.443 1.816 4.953 1.00 0.49 O ATOM 1510 CB LYS A 116 11.278 4.363 3.195 1.00 0.64 C ATOM 1511 CG LYS A 116 11.318 4.965 1.801 1.00 1.38 C ATOM 1512 CD LYS A 116 12.704 5.487 1.460 1.00 1.43 C ATOM 1513 CE LYS A 116 13.168 6.539 2.453 1.00 1.80 C ATOM 1514 NZ LYS A 116 14.519 7.057 2.123 1.00 2.33 N ATOM 0 H LYS A 116 9.149 5.625 3.396 1.00 0.51 H new ATOM 0 HA LYS A 116 9.732 2.950 2.763 1.00 0.51 H new ATOM 0 HB2 LYS A 116 11.474 5.148 3.926 1.00 0.64 H new ATOM 0 HB3 LYS A 116 12.081 3.632 3.289 1.00 0.64 H new ATOM 0 HG2 LYS A 116 11.021 4.213 1.070 1.00 1.38 H new ATOM 0 HG3 LYS A 116 10.595 5.778 1.734 1.00 1.38 H new ATOM 0 HD2 LYS A 116 13.412 4.659 1.450 1.00 1.43 H new ATOM 0 HD3 LYS A 116 12.696 5.912 0.456 1.00 1.43 H new ATOM 0 HE2 LYS A 116 12.456 7.364 2.466 1.00 1.80 H new ATOM 0 HE3 LYS A 116 13.178 6.112 3.456 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 14.798 7.772 2.825 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 15.204 6.274 2.136 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 14.504 7.488 1.177 1.00 2.33 H new ATOM 1528 N ARG A 117 9.705 3.708 5.934 1.00 0.42 N ATOM 1529 CA ARG A 117 9.647 3.134 7.267 1.00 0.44 C ATOM 1530 C ARG A 117 8.647 1.991 7.297 1.00 0.43 C ATOM 1531 O ARG A 117 8.955 0.900 7.766 1.00 0.50 O ATOM 1532 CB ARG A 117 9.240 4.194 8.284 1.00 0.57 C ATOM 1533 CG ARG A 117 9.147 3.672 9.708 1.00 0.90 C ATOM 1534 CD ARG A 117 8.575 4.724 10.637 1.00 1.39 C ATOM 1535 NE ARG A 117 9.307 5.985 10.532 1.00 1.99 N ATOM 1536 CZ ARG A 117 8.722 7.171 10.389 1.00 2.83 C ATOM 1537 NH1 ARG A 117 7.405 7.281 10.501 1.00 3.30 N ATOM 1538 NH2 ARG A 117 9.458 8.254 10.170 1.00 3.61 N ATOM 0 H ARG A 117 9.456 4.696 5.890 1.00 0.42 H new ATOM 0 HA ARG A 117 10.636 2.756 7.525 1.00 0.44 H new ATOM 0 HB2 ARG A 117 9.961 5.011 8.252 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.275 4.610 7.995 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.520 2.781 9.732 1.00 0.90 H new ATOM 0 HG3 ARG A 117 10.136 3.375 10.055 1.00 0.90 H new ATOM 0 HD2 ARG A 117 7.525 4.890 10.397 1.00 1.39 H new ATOM 0 HD3 ARG A 117 8.614 4.364 11.665 1.00 1.39 H new ATOM 0 HE ARG A 117 10.326 5.954 10.571 1.00 1.99 H new ATOM 0 HH11 ARG A 117 6.839 6.455 10.697 1.00 3.30 H new ATOM 0 HH12 ARG A 117 6.958 8.191 10.391 1.00 3.30 H new ATOM 0 HH21 ARG A 117 10.473 8.177 10.111 1.00 3.61 H new ATOM 0 HH22 ARG A 117 9.008 9.163 10.061 1.00 3.61 H new ATOM 1552 N TRP A 118 7.451 2.246 6.773 1.00 0.43 N ATOM 1553 CA TRP A 118 6.404 1.237 6.755 1.00 0.51 C ATOM 1554 C TRP A 118 6.795 0.055 5.874 1.00 0.51 C ATOM 1555 O TRP A 118 6.407 -1.078 6.149 1.00 0.60 O ATOM 1556 CB TRP A 118 5.072 1.824 6.280 1.00 0.59 C ATOM 1557 CG TRP A 118 4.506 2.864 7.200 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.027 4.091 6.846 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.367 2.772 8.625 1.00 1.69 C ATOM 1560 NE1 TRP A 118 3.590 4.766 7.960 1.00 1.51 N ATOM 1561 CE2 TRP A 118 3.792 3.980 9.064 1.00 2.00 C ATOM 1562 CE3 TRP A 118 4.669 1.788 9.574 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 3.516 4.229 10.404 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 4.395 2.039 10.904 1.00 3.18 C ATOM 1565 CH2 TRP A 118 3.823 3.249 11.309 1.00 3.39 C ATOM 0 H TRP A 118 7.187 3.139 6.358 1.00 0.43 H new ATOM 0 HA TRP A 118 6.280 0.884 7.779 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.211 2.263 5.292 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.348 1.016 6.171 1.00 0.59 H new ATOM 0 HD1 TRP A 118 3.996 4.476 5.837 1.00 0.98 H new ATOM 0 HE1 TRP A 118 3.181 5.701 7.964 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.109 0.849 9.271 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 3.075 5.163 10.720 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 4.627 1.288 11.644 1.00 3.18 H new ATOM 0 HH2 TRP A 118 3.619 3.414 12.357 1.00 3.39 H new ATOM 1576 N ILE A 119 7.557 0.325 4.817 1.00 0.48 N ATOM 1577 CA ILE A 119 8.077 -0.736 3.958 1.00 0.54 C ATOM 1578 C ILE A 119 8.964 -1.674 4.769 1.00 0.53 C ATOM 1579 O ILE A 119 8.781 -2.889 4.758 1.00 0.58 O ATOM 1580 CB ILE A 119 8.900 -0.173 2.773 1.00 0.60 C ATOM 1581 CG1 ILE A 119 8.057 0.784 1.922 1.00 0.67 C ATOM 1582 CG2 ILE A 119 9.450 -1.307 1.911 1.00 0.69 C ATOM 1583 CD1 ILE A 119 6.855 0.135 1.271 1.00 0.81 C ATOM 0 H ILE A 119 7.828 1.267 4.535 1.00 0.48 H new ATOM 0 HA ILE A 119 7.219 -1.274 3.556 1.00 0.54 H new ATOM 0 HB ILE A 119 9.739 0.388 3.185 1.00 0.60 H new ATOM 0 HG12 ILE A 119 7.716 1.607 2.550 1.00 0.67 H new ATOM 0 HG13 ILE A 119 8.689 1.215 1.146 1.00 0.67 H new ATOM 0 HG21 ILE A 119 10.025 -0.890 1.084 1.00 0.69 H new ATOM 0 HG22 ILE A 119 10.095 -1.944 2.516 1.00 0.69 H new ATOM 0 HG23 ILE A 119 8.623 -1.898 1.516 1.00 0.69 H new ATOM 0 HD11 ILE A 119 6.312 0.878 0.687 1.00 0.81 H new ATOM 0 HD12 ILE A 119 7.187 -0.670 0.615 1.00 0.81 H new ATOM 0 HD13 ILE A 119 6.199 -0.272 2.041 1.00 0.81 H new ATOM 1595 N LYS A 120 9.904 -1.088 5.495 1.00 0.52 N ATOM 1596 CA LYS A 120 10.850 -1.845 6.304 1.00 0.57 C ATOM 1597 C LYS A 120 10.130 -2.530 7.465 1.00 0.56 C ATOM 1598 O LYS A 120 10.393 -3.692 7.778 1.00 0.61 O ATOM 1599 CB LYS A 120 11.940 -0.899 6.819 1.00 0.66 C ATOM 1600 CG LYS A 120 13.067 -1.587 7.570 1.00 1.08 C ATOM 1601 CD LYS A 120 14.199 -0.618 7.883 1.00 1.68 C ATOM 1602 CE LYS A 120 14.886 -0.133 6.612 1.00 2.25 C ATOM 1603 NZ LYS A 120 15.963 0.853 6.894 1.00 2.76 N ATOM 0 H LYS A 120 10.033 -0.077 5.541 1.00 0.52 H new ATOM 0 HA LYS A 120 11.312 -2.622 5.694 1.00 0.57 H new ATOM 0 HB2 LYS A 120 12.362 -0.356 5.973 1.00 0.66 H new ATOM 0 HB3 LYS A 120 11.481 -0.159 7.475 1.00 0.66 H new ATOM 0 HG2 LYS A 120 12.682 -2.011 8.497 1.00 1.08 H new ATOM 0 HG3 LYS A 120 13.450 -2.416 6.975 1.00 1.08 H new ATOM 0 HD2 LYS A 120 13.806 0.236 8.434 1.00 1.68 H new ATOM 0 HD3 LYS A 120 14.929 -1.106 8.529 1.00 1.68 H new ATOM 0 HE2 LYS A 120 15.308 -0.987 6.081 1.00 2.25 H new ATOM 0 HE3 LYS A 120 14.146 0.319 5.952 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 16.401 1.154 6.000 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 15.558 1.680 7.377 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 16.684 0.415 7.502 1.00 2.76 H new ATOM 1617 N GLU A 121 9.202 -1.800 8.070 1.00 0.56 N ATOM 1618 CA GLU A 121 8.407 -2.294 9.188 1.00 0.63 C ATOM 1619 C GLU A 121 7.571 -3.509 8.772 1.00 0.67 C ATOM 1620 O GLU A 121 7.403 -4.458 9.541 1.00 0.79 O ATOM 1621 CB GLU A 121 7.495 -1.162 9.679 1.00 0.71 C ATOM 1622 CG GLU A 121 6.715 -1.470 10.946 1.00 1.18 C ATOM 1623 CD GLU A 121 7.607 -1.677 12.153 1.00 1.87 C ATOM 1624 OE1 GLU A 121 7.410 -2.681 12.872 1.00 2.50 O ATOM 1625 OE2 GLU A 121 8.504 -0.843 12.391 1.00 2.57 O ATOM 0 H GLU A 121 8.978 -0.843 7.798 1.00 0.56 H new ATOM 0 HA GLU A 121 9.072 -2.611 9.991 1.00 0.63 H new ATOM 0 HB2 GLU A 121 8.104 -0.274 9.852 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.789 -0.915 8.886 1.00 0.71 H new ATOM 0 HG2 GLU A 121 6.023 -0.652 11.148 1.00 1.18 H new ATOM 0 HG3 GLU A 121 6.113 -2.365 10.788 1.00 1.18 H new ATOM 1632 N PHE A 122 7.065 -3.474 7.546 1.00 0.65 N ATOM 1633 CA PHE A 122 6.189 -4.523 7.038 1.00 0.76 C ATOM 1634 C PHE A 122 6.990 -5.677 6.439 1.00 0.78 C ATOM 1635 O PHE A 122 6.608 -6.842 6.571 1.00 0.89 O ATOM 1636 CB PHE A 122 5.243 -3.931 5.988 1.00 0.86 C ATOM 1637 CG PHE A 122 4.244 -4.905 5.431 1.00 1.36 C ATOM 1638 CD1 PHE A 122 4.423 -5.454 4.171 1.00 2.24 C ATOM 1639 CD2 PHE A 122 3.123 -5.261 6.161 1.00 1.98 C ATOM 1640 CE1 PHE A 122 3.501 -6.340 3.652 1.00 2.95 C ATOM 1641 CE2 PHE A 122 2.199 -6.149 5.647 1.00 2.74 C ATOM 1642 CZ PHE A 122 2.389 -6.687 4.391 1.00 3.02 C ATOM 0 H PHE A 122 7.248 -2.724 6.880 1.00 0.65 H new ATOM 0 HA PHE A 122 5.609 -4.923 7.870 1.00 0.76 H new ATOM 0 HB2 PHE A 122 4.706 -3.093 6.432 1.00 0.86 H new ATOM 0 HB3 PHE A 122 5.837 -3.530 5.167 1.00 0.86 H new ATOM 0 HD1 PHE A 122 5.293 -5.186 3.590 1.00 2.24 H new ATOM 0 HD2 PHE A 122 2.969 -4.840 7.143 1.00 1.98 H new ATOM 0 HE1 PHE A 122 3.650 -6.761 2.669 1.00 2.95 H new ATOM 0 HE2 PHE A 122 1.330 -6.422 6.227 1.00 2.74 H new ATOM 0 HZ PHE A 122 1.667 -7.380 3.986 1.00 3.02 H new ATOM 1652 N SER A 123 8.095 -5.350 5.785 1.00 0.72 N ATOM 1653 CA SER A 123 8.929 -6.350 5.130 1.00 0.79 C ATOM 1654 C SER A 123 9.536 -7.318 6.138 1.00 0.81 C ATOM 1655 O SER A 123 9.445 -8.538 5.978 1.00 1.02 O ATOM 1656 CB SER A 123 10.043 -5.666 4.329 1.00 0.82 C ATOM 1657 OG SER A 123 10.942 -6.613 3.775 1.00 1.40 O ATOM 0 H SER A 123 8.437 -4.394 5.693 1.00 0.72 H new ATOM 0 HA SER A 123 8.293 -6.921 4.453 1.00 0.79 H new ATOM 0 HB2 SER A 123 9.604 -5.069 3.530 1.00 0.82 H new ATOM 0 HB3 SER A 123 10.589 -4.980 4.976 1.00 0.82 H new ATOM 0 HG SER A 123 11.722 -6.147 3.407 1.00 1.40 H new ATOM 1663 N GLU A 124 10.143 -6.779 7.182 1.00 0.80 N ATOM 1664 CA GLU A 124 10.898 -7.596 8.112 1.00 1.00 C ATOM 1665 C GLU A 124 10.084 -7.955 9.345 1.00 1.48 C ATOM 1666 O GLU A 124 8.988 -7.431 9.563 1.00 2.09 O ATOM 1667 CB GLU A 124 12.186 -6.883 8.509 1.00 1.88 C ATOM 1668 CG GLU A 124 13.119 -6.645 7.333 1.00 2.61 C ATOM 1669 CD GLU A 124 14.416 -5.989 7.744 1.00 3.54 C ATOM 1670 OE1 GLU A 124 14.532 -4.753 7.607 1.00 4.12 O ATOM 1671 OE2 GLU A 124 15.324 -6.705 8.216 1.00 4.14 O ATOM 0 H GLU A 124 10.127 -5.784 7.405 1.00 0.80 H new ATOM 0 HA GLU A 124 11.146 -8.530 7.607 1.00 1.00 H new ATOM 0 HB2 GLU A 124 11.938 -5.926 8.969 1.00 1.88 H new ATOM 0 HB3 GLU A 124 12.705 -7.475 9.263 1.00 1.88 H new ATOM 0 HG2 GLU A 124 13.335 -7.597 6.847 1.00 2.61 H new ATOM 0 HG3 GLU A 124 12.617 -6.018 6.596 1.00 2.61 H new ATOM 1678 N GLU A 125 10.632 -8.859 10.140 1.00 2.33 N ATOM 1679 CA GLU A 125 9.971 -9.341 11.337 1.00 3.47 C ATOM 1680 C GLU A 125 10.651 -8.776 12.576 1.00 4.34 C ATOM 1681 O GLU A 125 11.802 -9.172 12.860 1.00 4.92 O ATOM 1682 CB GLU A 125 9.995 -10.868 11.362 1.00 4.25 C ATOM 1683 CG GLU A 125 9.277 -11.475 12.551 1.00 4.82 C ATOM 1684 CD GLU A 125 9.283 -12.984 12.510 1.00 5.68 C ATOM 1685 OE1 GLU A 125 10.251 -13.595 13.008 1.00 6.29 O ATOM 1686 OE2 GLU A 125 8.323 -13.570 11.970 1.00 6.07 O ATOM 1687 OXT GLU A 125 10.035 -7.937 13.261 1.00 4.84 O ATOM 0 H GLU A 125 11.547 -9.278 9.972 1.00 2.33 H new ATOM 0 HA GLU A 125 8.934 -9.007 11.332 1.00 3.47 H new ATOM 0 HB2 GLU A 125 9.540 -11.244 10.445 1.00 4.25 H new ATOM 0 HB3 GLU A 125 11.032 -11.205 11.365 1.00 4.25 H new ATOM 0 HG2 GLU A 125 9.752 -11.136 13.472 1.00 4.82 H new ATOM 0 HG3 GLU A 125 8.247 -11.118 12.573 1.00 4.82 H new TER 1694 GLU A 125