USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 765 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 Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 CYS SG : rot 180:sc= -3.3! USER MOD Single : A 107 ASN : amide:sc= -5.65! C(o=-5.7!,f=-5.6!) USER MOD Single : A 113 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 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 MET CE :methyl -125:sc= -2.45 (180deg=-8.46!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 TYR OH : rot -75:sc= 0.753 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot -120:sc= -3.72! USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.342) USER MOD Single : A 150 ASN : amide:sc= -4.08! C(o=-4.1!,f=-5!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 157 SER OG : rot -85:sc= 0.941 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 THR OG1 : rot 103:sc= 0.921 USER MOD Single : A 168 CYS SG : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.52) USER MOD Single : A 181 GLN : amide:sc= -3.39! C(o=-3.4!,f=-2.4!) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 89 9.064 11.358 12.093 1.00 1.92 N ATOM 2 CA ALA A 89 8.754 11.907 10.736 1.00 1.43 C ATOM 3 C ALA A 89 7.758 10.991 10.024 1.00 1.08 C ATOM 4 O ALA A 89 6.598 11.323 9.866 1.00 1.13 O ATOM 5 CB ALA A 89 10.092 11.929 9.995 1.00 1.90 C ATOM 0 HA ALA A 89 8.305 12.899 10.781 1.00 1.43 H new ATOM 0 HB1 ALA A 89 9.944 12.321 8.989 1.00 1.90 H new ATOM 0 HB2 ALA A 89 10.795 12.565 10.533 1.00 1.90 H new ATOM 0 HB3 ALA A 89 10.491 10.917 9.935 1.00 1.90 H new ATOM 11 N ALA A 90 8.203 9.833 9.616 1.00 0.96 N ATOM 12 CA ALA A 90 7.287 8.869 8.931 1.00 0.72 C ATOM 13 C ALA A 90 6.219 8.427 9.935 1.00 0.58 C ATOM 14 O ALA A 90 6.207 8.923 11.045 1.00 1.23 O ATOM 15 CB ALA A 90 8.187 7.699 8.519 1.00 1.03 C ATOM 0 H ALA A 90 9.164 9.510 9.727 1.00 0.96 H new ATOM 0 HA ALA A 90 6.773 9.287 8.065 1.00 0.72 H new ATOM 0 HB1 ALA A 90 7.590 6.944 8.008 1.00 1.03 H new ATOM 0 HB2 ALA A 90 8.968 8.059 7.849 1.00 1.03 H new ATOM 0 HB3 ALA A 90 8.643 7.261 9.407 1.00 1.03 H new ATOM 21 N PRO A 91 5.344 7.522 9.545 1.00 0.79 N ATOM 22 CA PRO A 91 4.290 7.077 10.485 1.00 1.10 C ATOM 23 C PRO A 91 4.933 6.406 11.706 1.00 0.60 C ATOM 24 O PRO A 91 5.482 5.328 11.592 1.00 0.91 O ATOM 25 CB PRO A 91 3.461 6.089 9.664 1.00 1.98 C ATOM 26 CG PRO A 91 4.390 5.629 8.594 1.00 2.18 C ATOM 27 CD PRO A 91 5.236 6.824 8.254 1.00 1.62 C ATOM 0 HA PRO A 91 3.679 7.890 10.876 1.00 1.10 H new ATOM 0 HB2 PRO A 91 3.115 5.256 10.276 1.00 1.98 H new ATOM 0 HB3 PRO A 91 2.575 6.566 9.244 1.00 1.98 H new ATOM 0 HG2 PRO A 91 5.005 4.798 8.939 1.00 2.18 H new ATOM 0 HG3 PRO A 91 3.840 5.277 7.721 1.00 2.18 H new ATOM 0 HD2 PRO A 91 6.213 6.532 7.869 1.00 1.62 H new ATOM 0 HD3 PRO A 91 4.767 7.449 7.494 1.00 1.62 H new ATOM 35 N PRO A 92 4.850 7.061 12.849 1.00 0.59 N ATOM 36 CA PRO A 92 5.444 6.488 14.082 1.00 0.84 C ATOM 37 C PRO A 92 4.768 5.152 14.399 1.00 0.71 C ATOM 38 O PRO A 92 5.427 4.141 14.556 1.00 0.83 O ATOM 39 CB PRO A 92 5.182 7.559 15.144 1.00 1.49 C ATOM 40 CG PRO A 92 4.027 8.339 14.611 1.00 1.64 C ATOM 41 CD PRO A 92 4.204 8.356 13.116 1.00 1.21 C ATOM 0 HA PRO A 92 6.508 6.264 14.009 1.00 0.84 H new ATOM 0 HB2 PRO A 92 4.947 7.111 16.110 1.00 1.49 H new ATOM 0 HB3 PRO A 92 6.056 8.194 15.291 1.00 1.49 H new ATOM 0 HG2 PRO A 92 3.080 7.876 14.888 1.00 1.64 H new ATOM 0 HG3 PRO A 92 4.017 9.351 15.016 1.00 1.64 H new ATOM 0 HD2 PRO A 92 3.250 8.447 12.597 1.00 1.21 H new ATOM 0 HD3 PRO A 92 4.824 9.192 12.792 1.00 1.21 H new ATOM 49 N GLY A 93 3.460 5.132 14.453 1.00 0.65 N ATOM 50 CA GLY A 93 2.744 3.846 14.712 1.00 0.71 C ATOM 51 C GLY A 93 2.479 3.111 13.392 1.00 0.58 C ATOM 52 O GLY A 93 1.372 2.677 13.133 1.00 0.58 O ATOM 0 H GLY A 93 2.859 5.947 14.330 1.00 0.65 H new ATOM 0 HA2 GLY A 93 3.339 3.217 15.374 1.00 0.71 H new ATOM 0 HA3 GLY A 93 1.801 4.043 15.223 1.00 0.71 H new ATOM 56 N GLU A 94 3.478 2.969 12.557 1.00 0.56 N ATOM 57 CA GLU A 94 3.278 2.263 11.251 1.00 0.55 C ATOM 58 C GLU A 94 2.932 0.788 11.463 1.00 0.49 C ATOM 59 O GLU A 94 2.495 0.120 10.548 1.00 0.53 O ATOM 60 CB GLU A 94 4.610 2.413 10.503 1.00 0.66 C ATOM 61 CG GLU A 94 5.724 1.674 11.251 1.00 1.09 C ATOM 62 CD GLU A 94 7.082 2.048 10.653 1.00 1.10 C ATOM 63 OE1 GLU A 94 7.265 3.211 10.333 1.00 1.44 O ATOM 64 OE2 GLU A 94 7.915 1.166 10.526 1.00 1.62 O ATOM 0 H GLU A 94 4.425 3.311 12.722 1.00 0.56 H new ATOM 0 HA GLU A 94 2.446 2.687 10.689 1.00 0.55 H new ATOM 0 HB2 GLU A 94 4.515 2.015 9.493 1.00 0.66 H new ATOM 0 HB3 GLU A 94 4.865 3.469 10.407 1.00 0.66 H new ATOM 0 HG2 GLU A 94 5.698 1.933 12.310 1.00 1.09 H new ATOM 0 HG3 GLU A 94 5.569 0.597 11.182 1.00 1.09 H new ATOM 71 N ALA A 95 3.120 0.273 12.652 1.00 0.49 N ATOM 72 CA ALA A 95 2.805 -1.165 12.897 1.00 0.50 C ATOM 73 C ALA A 95 1.343 -1.464 12.563 1.00 0.38 C ATOM 74 O ALA A 95 1.029 -2.528 12.060 1.00 0.36 O ATOM 75 CB ALA A 95 3.079 -1.399 14.386 1.00 0.61 C ATOM 0 H ALA A 95 3.476 0.784 13.459 1.00 0.49 H new ATOM 0 HA ALA A 95 3.408 -1.821 12.269 1.00 0.50 H new ATOM 0 HB1 ALA A 95 2.868 -2.439 14.636 1.00 0.61 H new ATOM 0 HB2 ALA A 95 4.124 -1.179 14.603 1.00 0.61 H new ATOM 0 HB3 ALA A 95 2.440 -0.746 14.981 1.00 0.61 H new ATOM 81 N TYR A 96 0.446 -0.544 12.831 1.00 0.38 N ATOM 82 CA TYR A 96 -0.988 -0.809 12.511 1.00 0.35 C ATOM 83 C TYR A 96 -1.183 -0.910 11.000 1.00 0.28 C ATOM 84 O TYR A 96 -1.571 -1.945 10.490 1.00 0.29 O ATOM 85 CB TYR A 96 -1.775 0.376 13.076 1.00 0.42 C ATOM 86 CG TYR A 96 -3.169 -0.082 13.448 1.00 0.73 C ATOM 87 CD1 TYR A 96 -3.964 -0.761 12.512 1.00 1.47 C ATOM 88 CD2 TYR A 96 -3.664 0.164 14.734 1.00 1.54 C ATOM 89 CE1 TYR A 96 -5.246 -1.192 12.862 1.00 1.85 C ATOM 90 CE2 TYR A 96 -4.950 -0.266 15.083 1.00 1.93 C ATOM 91 CZ TYR A 96 -5.741 -0.945 14.147 1.00 1.77 C ATOM 92 OH TYR A 96 -7.007 -1.371 14.493 1.00 2.32 O ATOM 0 H TYR A 96 0.643 0.364 13.251 1.00 0.38 H new ATOM 0 HA TYR A 96 -1.327 -1.751 12.943 1.00 0.35 H new ATOM 0 HB2 TYR A 96 -1.267 0.781 13.951 1.00 0.42 H new ATOM 0 HB3 TYR A 96 -1.827 1.177 12.339 1.00 0.42 H new ATOM 0 HD1 TYR A 96 -3.584 -0.951 11.519 1.00 1.47 H new ATOM 0 HD2 TYR A 96 -3.054 0.685 15.457 1.00 1.54 H new ATOM 0 HE1 TYR A 96 -5.855 -1.716 12.140 1.00 1.85 H new ATOM 0 HE2 TYR A 96 -5.333 -0.074 16.075 1.00 1.93 H new ATOM 0 HH TYR A 96 -7.194 -1.120 15.422 1.00 2.32 H new ATOM 102 N LEU A 97 -0.911 0.151 10.276 1.00 0.42 N ATOM 103 CA LEU A 97 -1.079 0.094 8.793 1.00 0.55 C ATOM 104 C LEU A 97 -0.115 -0.933 8.209 1.00 0.43 C ATOM 105 O LEU A 97 -0.402 -1.536 7.197 1.00 0.35 O ATOM 106 CB LEU A 97 -0.813 1.503 8.245 1.00 0.90 C ATOM 107 CG LEU A 97 0.531 2.036 8.756 1.00 0.94 C ATOM 108 CD1 LEU A 97 1.326 2.646 7.594 1.00 1.33 C ATOM 109 CD2 LEU A 97 0.283 3.113 9.827 1.00 1.75 C ATOM 0 H LEU A 97 -0.584 1.044 10.645 1.00 0.42 H new ATOM 0 HA LEU A 97 -2.086 -0.216 8.515 1.00 0.55 H new ATOM 0 HB2 LEU A 97 -0.811 1.481 7.155 1.00 0.90 H new ATOM 0 HB3 LEU A 97 -1.616 2.175 8.549 1.00 0.90 H new ATOM 0 HG LEU A 97 1.101 1.214 9.189 1.00 0.94 H new ATOM 0 HD11 LEU A 97 2.280 3.023 7.964 1.00 1.33 H new ATOM 0 HD12 LEU A 97 1.506 1.883 6.837 1.00 1.33 H new ATOM 0 HD13 LEU A 97 0.758 3.466 7.155 1.00 1.33 H new ATOM 0 HD21 LEU A 97 1.238 3.492 10.190 1.00 1.75 H new ATOM 0 HD22 LEU A 97 -0.291 3.932 9.393 1.00 1.75 H new ATOM 0 HD23 LEU A 97 -0.274 2.679 10.657 1.00 1.75 H new ATOM 121 N GLN A 98 1.019 -1.162 8.845 1.00 0.47 N ATOM 122 CA GLN A 98 1.962 -2.192 8.305 1.00 0.49 C ATOM 123 C GLN A 98 1.277 -3.561 8.355 1.00 0.38 C ATOM 124 O GLN A 98 1.381 -4.349 7.434 1.00 0.39 O ATOM 125 CB GLN A 98 3.185 -2.173 9.226 1.00 0.63 C ATOM 126 CG GLN A 98 4.207 -3.206 8.741 1.00 0.57 C ATOM 127 CD GLN A 98 5.394 -3.241 9.703 1.00 1.24 C ATOM 128 OE1 GLN A 98 6.355 -2.518 9.530 1.00 2.00 O ATOM 129 NE2 GLN A 98 5.368 -4.061 10.717 1.00 2.04 N ATOM 0 H GLN A 98 1.323 -0.689 9.696 1.00 0.47 H new ATOM 0 HA GLN A 98 2.251 -1.991 7.273 1.00 0.49 H new ATOM 0 HB2 GLN A 98 3.632 -1.179 9.233 1.00 0.63 H new ATOM 0 HB3 GLN A 98 2.886 -2.395 10.250 1.00 0.63 H new ATOM 0 HG2 GLN A 98 3.744 -4.191 8.682 1.00 0.57 H new ATOM 0 HG3 GLN A 98 4.547 -2.953 7.737 1.00 0.57 H new ATOM 0 HE21 GLN A 98 4.561 -4.668 10.862 1.00 2.04 H new ATOM 0 HE22 GLN A 98 6.155 -4.096 11.365 1.00 2.04 H new ATOM 138 N VAL A 99 0.545 -3.835 9.416 1.00 0.33 N ATOM 139 CA VAL A 99 -0.175 -5.144 9.507 1.00 0.31 C ATOM 140 C VAL A 99 -1.188 -5.208 8.365 1.00 0.24 C ATOM 141 O VAL A 99 -1.286 -6.193 7.654 1.00 0.30 O ATOM 142 CB VAL A 99 -0.876 -5.133 10.876 1.00 0.32 C ATOM 143 CG1 VAL A 99 -1.779 -6.365 11.014 1.00 0.43 C ATOM 144 CG2 VAL A 99 0.178 -5.150 11.987 1.00 0.43 C ATOM 0 H VAL A 99 0.418 -3.212 10.214 1.00 0.33 H new ATOM 0 HA VAL A 99 0.482 -6.009 9.423 1.00 0.31 H new ATOM 0 HB VAL A 99 -1.485 -4.232 10.958 1.00 0.32 H new ATOM 0 HG11 VAL A 99 -2.271 -6.348 11.987 1.00 0.43 H new ATOM 0 HG12 VAL A 99 -2.532 -6.354 10.226 1.00 0.43 H new ATOM 0 HG13 VAL A 99 -1.176 -7.269 10.928 1.00 0.43 H new ATOM 0 HG21 VAL A 99 -0.317 -5.142 12.958 1.00 0.43 H new ATOM 0 HG22 VAL A 99 0.787 -6.050 11.897 1.00 0.43 H new ATOM 0 HG23 VAL A 99 0.815 -4.270 11.897 1.00 0.43 H new ATOM 154 N ALA A 100 -1.915 -4.137 8.169 1.00 0.18 N ATOM 155 CA ALA A 100 -2.899 -4.095 7.054 1.00 0.18 C ATOM 156 C ALA A 100 -2.140 -4.190 5.735 1.00 0.14 C ATOM 157 O ALA A 100 -2.481 -4.970 4.878 1.00 0.14 O ATOM 158 CB ALA A 100 -3.603 -2.742 7.178 1.00 0.24 C ATOM 0 H ALA A 100 -1.867 -3.290 8.736 1.00 0.18 H new ATOM 0 HA ALA A 100 -3.619 -4.912 7.090 1.00 0.18 H new ATOM 0 HB1 ALA A 100 -4.344 -2.643 6.385 1.00 0.24 H new ATOM 0 HB2 ALA A 100 -4.098 -2.677 8.147 1.00 0.24 H new ATOM 0 HB3 ALA A 100 -2.869 -1.941 7.091 1.00 0.24 H new ATOM 164 N PHE A 101 -1.086 -3.419 5.592 1.00 0.15 N ATOM 165 CA PHE A 101 -0.263 -3.469 4.339 1.00 0.16 C ATOM 166 C PHE A 101 0.226 -4.892 4.067 1.00 0.17 C ATOM 167 O PHE A 101 0.584 -5.209 2.963 1.00 0.20 O ATOM 168 CB PHE A 101 0.947 -2.557 4.612 1.00 0.19 C ATOM 169 CG PHE A 101 0.588 -1.069 4.635 1.00 0.25 C ATOM 170 CD1 PHE A 101 -0.728 -0.604 4.422 1.00 1.10 C ATOM 171 CD2 PHE A 101 1.610 -0.142 4.882 1.00 1.21 C ATOM 172 CE1 PHE A 101 -1.000 0.769 4.459 1.00 1.10 C ATOM 173 CE2 PHE A 101 1.332 1.228 4.916 1.00 1.26 C ATOM 174 CZ PHE A 101 0.030 1.684 4.705 1.00 0.43 C ATOM 0 H PHE A 101 -0.759 -2.754 6.293 1.00 0.15 H new ATOM 0 HA PHE A 101 -0.842 -3.152 3.471 1.00 0.16 H new ATOM 0 HB2 PHE A 101 1.392 -2.831 5.568 1.00 0.19 H new ATOM 0 HB3 PHE A 101 1.704 -2.730 3.847 1.00 0.19 H new ATOM 0 HD1 PHE A 101 -1.525 -1.307 4.231 1.00 1.10 H new ATOM 0 HD2 PHE A 101 2.620 -0.488 5.047 1.00 1.21 H new ATOM 0 HE1 PHE A 101 -2.007 1.123 4.297 1.00 1.10 H new ATOM 0 HE2 PHE A 101 2.126 1.935 5.106 1.00 1.26 H new ATOM 0 HZ PHE A 101 -0.183 2.743 4.732 1.00 0.43 H new ATOM 184 N ASP A 102 0.254 -5.745 5.055 1.00 0.18 N ATOM 185 CA ASP A 102 0.738 -7.138 4.818 1.00 0.21 C ATOM 186 C ASP A 102 -0.376 -8.021 4.260 1.00 0.20 C ATOM 187 O ASP A 102 -0.211 -8.657 3.235 1.00 0.22 O ATOM 188 CB ASP A 102 1.179 -7.637 6.181 1.00 0.25 C ATOM 189 CG ASP A 102 1.909 -8.973 6.029 1.00 0.32 C ATOM 190 OD1 ASP A 102 1.304 -9.902 5.519 1.00 1.01 O ATOM 191 OD2 ASP A 102 3.061 -9.045 6.425 1.00 1.13 O ATOM 0 H ASP A 102 -0.035 -5.541 6.011 1.00 0.18 H new ATOM 0 HA ASP A 102 1.545 -7.165 4.086 1.00 0.21 H new ATOM 0 HB2 ASP A 102 1.835 -6.905 6.652 1.00 0.25 H new ATOM 0 HB3 ASP A 102 0.314 -7.756 6.833 1.00 0.25 H new ATOM 196 N ILE A 103 -1.507 -8.074 4.925 1.00 0.18 N ATOM 197 CA ILE A 103 -2.619 -8.933 4.417 1.00 0.18 C ATOM 198 C ILE A 103 -3.073 -8.436 3.048 1.00 0.17 C ATOM 199 O ILE A 103 -3.327 -9.212 2.139 1.00 0.18 O ATOM 200 CB ILE A 103 -3.758 -8.825 5.446 1.00 0.18 C ATOM 201 CG1 ILE A 103 -4.201 -7.361 5.637 1.00 0.94 C ATOM 202 CG2 ILE A 103 -3.295 -9.400 6.782 1.00 0.94 C ATOM 203 CD1 ILE A 103 -5.351 -7.286 6.654 1.00 0.87 C ATOM 0 H ILE A 103 -1.705 -7.565 5.787 1.00 0.18 H new ATOM 0 HA ILE A 103 -2.305 -9.970 4.298 1.00 0.18 H new ATOM 0 HB ILE A 103 -4.611 -9.392 5.073 1.00 0.18 H new ATOM 0 HG12 ILE A 103 -3.360 -6.760 5.983 1.00 0.94 H new ATOM 0 HG13 ILE A 103 -4.521 -6.942 4.683 1.00 0.94 H new ATOM 0 HG21 ILE A 103 -4.102 -9.323 7.510 1.00 0.94 H new ATOM 0 HG22 ILE A 103 -3.022 -10.447 6.652 1.00 0.94 H new ATOM 0 HG23 ILE A 103 -2.430 -8.841 7.139 1.00 0.94 H new ATOM 0 HD11 ILE A 103 -5.657 -6.248 6.782 1.00 0.87 H new ATOM 0 HD12 ILE A 103 -6.196 -7.871 6.291 1.00 0.87 H new ATOM 0 HD13 ILE A 103 -5.017 -7.686 7.611 1.00 0.87 H new ATOM 215 N VAL A 104 -3.166 -7.147 2.895 1.00 0.16 N ATOM 216 CA VAL A 104 -3.604 -6.588 1.586 1.00 0.16 C ATOM 217 C VAL A 104 -2.533 -6.841 0.520 1.00 0.17 C ATOM 218 O VAL A 104 -2.834 -7.161 -0.614 1.00 0.18 O ATOM 219 CB VAL A 104 -3.806 -5.087 1.821 1.00 0.16 C ATOM 220 CG1 VAL A 104 -4.837 -4.860 2.929 1.00 0.18 C ATOM 221 CG2 VAL A 104 -2.479 -4.423 2.200 1.00 0.14 C ATOM 0 H VAL A 104 -2.959 -6.457 3.617 1.00 0.16 H new ATOM 0 HA VAL A 104 -4.521 -7.055 1.228 1.00 0.16 H new ATOM 0 HB VAL A 104 -4.172 -4.638 0.898 1.00 0.16 H new ATOM 0 HG11 VAL A 104 -4.972 -3.790 3.087 1.00 0.18 H new ATOM 0 HG12 VAL A 104 -5.788 -5.307 2.638 1.00 0.18 H new ATOM 0 HG13 VAL A 104 -4.487 -5.322 3.852 1.00 0.18 H new ATOM 0 HG21 VAL A 104 -2.639 -3.357 2.364 1.00 0.14 H new ATOM 0 HG22 VAL A 104 -2.093 -4.876 3.113 1.00 0.14 H new ATOM 0 HG23 VAL A 104 -1.759 -4.562 1.393 1.00 0.14 H new ATOM 231 N CYS A 105 -1.284 -6.696 0.886 1.00 0.18 N ATOM 232 CA CYS A 105 -0.177 -6.924 -0.094 1.00 0.19 C ATOM 233 C CYS A 105 -0.209 -8.351 -0.597 1.00 0.20 C ATOM 234 O CYS A 105 -0.188 -8.598 -1.787 1.00 0.21 O ATOM 235 CB CYS A 105 1.103 -6.629 0.685 1.00 0.22 C ATOM 236 SG CYS A 105 2.553 -6.868 -0.370 1.00 0.29 S ATOM 0 H CYS A 105 -0.982 -6.429 1.823 1.00 0.18 H new ATOM 0 HA CYS A 105 -0.259 -6.291 -0.977 1.00 0.19 H new ATOM 0 HB2 CYS A 105 1.081 -5.605 1.058 1.00 0.22 H new ATOM 0 HB3 CYS A 105 1.166 -7.283 1.554 1.00 0.22 H new ATOM 0 HG CYS A 105 3.631 -6.611 0.309 1.00 0.29 H new ATOM 242 N ASP A 106 -0.284 -9.287 0.297 1.00 0.21 N ATOM 243 CA ASP A 106 -0.342 -10.709 -0.136 1.00 0.24 C ATOM 244 C ASP A 106 -1.647 -10.954 -0.914 1.00 0.25 C ATOM 245 O ASP A 106 -1.790 -11.949 -1.597 1.00 0.28 O ATOM 246 CB ASP A 106 -0.309 -11.527 1.151 1.00 0.25 C ATOM 247 CG ASP A 106 0.986 -11.242 1.917 1.00 0.27 C ATOM 248 OD1 ASP A 106 1.984 -10.954 1.275 1.00 1.05 O ATOM 249 OD2 ASP A 106 0.958 -11.316 3.134 1.00 1.05 O ATOM 0 H ASP A 106 -0.308 -9.134 1.305 1.00 0.21 H new ATOM 0 HA ASP A 106 0.482 -10.982 -0.795 1.00 0.24 H new ATOM 0 HB2 ASP A 106 -1.171 -11.280 1.771 1.00 0.25 H new ATOM 0 HB3 ASP A 106 -0.378 -12.590 0.919 1.00 0.25 H new ATOM 254 N ASN A 107 -2.595 -10.041 -0.824 1.00 0.24 N ATOM 255 CA ASN A 107 -3.878 -10.208 -1.563 1.00 0.26 C ATOM 256 C ASN A 107 -3.770 -9.584 -2.955 1.00 0.26 C ATOM 257 O ASN A 107 -4.239 -10.137 -3.933 1.00 0.29 O ATOM 258 CB ASN A 107 -4.893 -9.418 -0.742 1.00 0.25 C ATOM 259 CG ASN A 107 -6.273 -10.058 -0.892 1.00 0.29 C ATOM 260 OD1 ASN A 107 -6.473 -11.196 -0.516 1.00 1.02 O ATOM 261 ND2 ASN A 107 -7.241 -9.370 -1.432 1.00 1.23 N ATOM 0 H ASN A 107 -2.527 -9.189 -0.267 1.00 0.24 H new ATOM 0 HA ASN A 107 -4.147 -11.257 -1.688 1.00 0.26 H new ATOM 0 HB2 ASN A 107 -4.598 -9.405 0.307 1.00 0.25 H new ATOM 0 HB3 ASN A 107 -4.922 -8.381 -1.078 1.00 0.25 H new ATOM 0 HD21 ASN A 107 -8.166 -9.787 -1.538 1.00 1.23 H new ATOM 0 HD22 ASN A 107 -7.073 -8.415 -1.748 1.00 1.23 H new ATOM 268 N VAL A 108 -3.167 -8.427 -3.042 1.00 0.23 N ATOM 269 CA VAL A 108 -3.033 -7.743 -4.360 1.00 0.24 C ATOM 270 C VAL A 108 -1.952 -6.658 -4.279 1.00 0.25 C ATOM 271 O VAL A 108 -2.152 -5.532 -4.680 1.00 0.42 O ATOM 272 CB VAL A 108 -4.433 -7.165 -4.618 1.00 0.23 C ATOM 273 CG1 VAL A 108 -4.696 -5.915 -3.767 1.00 0.27 C ATOM 274 CG2 VAL A 108 -4.568 -6.817 -6.100 1.00 0.27 C ATOM 0 H VAL A 108 -2.760 -7.925 -2.253 1.00 0.23 H new ATOM 0 HA VAL A 108 -2.721 -8.402 -5.170 1.00 0.24 H new ATOM 0 HB VAL A 108 -5.170 -7.918 -4.338 1.00 0.23 H new ATOM 0 HG11 VAL A 108 -5.696 -5.535 -3.977 1.00 0.27 H new ATOM 0 HG12 VAL A 108 -4.620 -6.172 -2.710 1.00 0.27 H new ATOM 0 HG13 VAL A 108 -3.959 -5.149 -4.008 1.00 0.27 H new ATOM 0 HG21 VAL A 108 -5.560 -6.406 -6.288 1.00 0.27 H new ATOM 0 HG22 VAL A 108 -3.812 -6.079 -6.371 1.00 0.27 H new ATOM 0 HG23 VAL A 108 -4.428 -7.717 -6.699 1.00 0.27 H new ATOM 284 N GLY A 109 -0.832 -7.000 -3.706 1.00 0.24 N ATOM 285 CA GLY A 109 0.292 -6.031 -3.501 1.00 0.22 C ATOM 286 C GLY A 109 0.513 -5.147 -4.748 1.00 0.23 C ATOM 287 O GLY A 109 0.731 -3.957 -4.639 1.00 0.21 O ATOM 0 H GLY A 109 -0.640 -7.940 -3.359 1.00 0.24 H new ATOM 0 HA2 GLY A 109 0.076 -5.399 -2.640 1.00 0.22 H new ATOM 0 HA3 GLY A 109 1.208 -6.577 -3.274 1.00 0.22 H new ATOM 291 N ARG A 110 0.462 -5.721 -5.925 1.00 0.27 N ATOM 292 CA ARG A 110 0.686 -4.919 -7.177 1.00 0.28 C ATOM 293 C ARG A 110 -0.273 -3.718 -7.262 1.00 0.27 C ATOM 294 O ARG A 110 -0.025 -2.765 -7.994 1.00 0.27 O ATOM 295 CB ARG A 110 0.449 -5.898 -8.332 1.00 0.36 C ATOM 296 CG ARG A 110 1.795 -6.469 -8.812 1.00 0.55 C ATOM 297 CD ARG A 110 1.927 -7.934 -8.379 1.00 0.72 C ATOM 298 NE ARG A 110 1.600 -8.723 -9.600 1.00 1.08 N ATOM 299 CZ ARG A 110 0.355 -8.984 -9.895 1.00 1.39 C ATOM 300 NH1 ARG A 110 -0.350 -9.764 -9.122 1.00 2.06 N ATOM 301 NH2 ARG A 110 -0.185 -8.466 -10.964 1.00 1.68 N ATOM 0 H ARG A 110 0.275 -6.712 -6.077 1.00 0.27 H new ATOM 0 HA ARG A 110 1.690 -4.495 -7.203 1.00 0.28 H new ATOM 0 HB2 ARG A 110 -0.205 -6.707 -8.007 1.00 0.36 H new ATOM 0 HB3 ARG A 110 -0.056 -5.390 -9.154 1.00 0.36 H new ATOM 0 HG2 ARG A 110 1.865 -6.394 -9.897 1.00 0.55 H new ATOM 0 HG3 ARG A 110 2.616 -5.883 -8.398 1.00 0.55 H new ATOM 0 HD2 ARG A 110 2.934 -8.153 -8.025 1.00 0.72 H new ATOM 0 HD3 ARG A 110 1.244 -8.168 -7.562 1.00 0.72 H new ATOM 0 HE ARG A 110 2.349 -9.059 -10.205 1.00 1.08 H new ATOM 0 HH11 ARG A 110 0.071 -10.170 -8.287 1.00 2.06 H new ATOM 0 HH12 ARG A 110 -1.322 -9.967 -9.353 1.00 2.06 H new ATOM 0 HH21 ARG A 110 0.365 -7.857 -11.569 1.00 1.68 H new ATOM 0 HH22 ARG A 110 -1.158 -8.670 -11.194 1.00 1.68 H new ATOM 315 N ASP A 111 -1.350 -3.733 -6.515 1.00 0.27 N ATOM 316 CA ASP A 111 -2.295 -2.578 -6.562 1.00 0.30 C ATOM 317 C ASP A 111 -1.618 -1.347 -5.950 1.00 0.31 C ATOM 318 O ASP A 111 -1.973 -0.224 -6.252 1.00 0.39 O ATOM 319 CB ASP A 111 -3.508 -3.009 -5.728 1.00 0.30 C ATOM 320 CG ASP A 111 -4.454 -3.868 -6.576 1.00 0.30 C ATOM 321 OD1 ASP A 111 -4.023 -4.368 -7.605 1.00 0.93 O ATOM 322 OD2 ASP A 111 -5.597 -4.016 -6.177 1.00 0.82 O ATOM 0 H ASP A 111 -1.613 -4.488 -5.881 1.00 0.27 H new ATOM 0 HA ASP A 111 -2.591 -2.316 -7.578 1.00 0.30 H new ATOM 0 HB2 ASP A 111 -3.177 -3.572 -4.855 1.00 0.30 H new ATOM 0 HB3 ASP A 111 -4.036 -2.130 -5.359 1.00 0.30 H new ATOM 327 N TRP A 112 -0.627 -1.546 -5.114 1.00 0.27 N ATOM 328 CA TRP A 112 0.094 -0.379 -4.517 1.00 0.29 C ATOM 329 C TRP A 112 0.908 0.293 -5.612 1.00 0.32 C ATOM 330 O TRP A 112 1.016 1.497 -5.654 1.00 0.31 O ATOM 331 CB TRP A 112 0.992 -0.935 -3.403 1.00 0.29 C ATOM 332 CG TRP A 112 0.170 -1.810 -2.516 1.00 0.25 C ATOM 333 CD1 TRP A 112 0.540 -3.028 -2.072 1.00 0.23 C ATOM 334 CD2 TRP A 112 -1.175 -1.576 -2.005 1.00 0.25 C ATOM 335 NE1 TRP A 112 -0.486 -3.552 -1.315 1.00 0.20 N ATOM 336 CE2 TRP A 112 -1.562 -2.699 -1.250 1.00 0.20 C ATOM 337 CE3 TRP A 112 -2.089 -0.510 -2.116 1.00 0.31 C ATOM 338 CZ2 TRP A 112 -2.803 -2.773 -0.638 1.00 0.20 C ATOM 339 CZ3 TRP A 112 -3.344 -0.584 -1.495 1.00 0.32 C ATOM 340 CH2 TRP A 112 -3.700 -1.720 -0.759 1.00 0.27 C ATOM 0 H TRP A 112 -0.288 -2.462 -4.821 1.00 0.27 H new ATOM 0 HA TRP A 112 -0.584 0.365 -4.099 1.00 0.29 H new ATOM 0 HB2 TRP A 112 1.818 -1.502 -3.832 1.00 0.29 H new ATOM 0 HB3 TRP A 112 1.430 -0.119 -2.828 1.00 0.29 H new ATOM 0 HD1 TRP A 112 1.483 -3.513 -2.276 1.00 0.23 H new ATOM 0 HE1 TRP A 112 -0.451 -4.463 -0.858 1.00 0.20 H new ATOM 0 HE3 TRP A 112 -1.822 0.370 -2.683 1.00 0.31 H new ATOM 0 HZ2 TRP A 112 -3.072 -3.649 -0.067 1.00 0.20 H new ATOM 0 HZ3 TRP A 112 -4.038 0.238 -1.585 1.00 0.32 H new ATOM 0 HH2 TRP A 112 -4.670 -1.777 -0.287 1.00 0.27 H new ATOM 351 N LYS A 113 1.455 -0.480 -6.527 1.00 0.37 N ATOM 352 CA LYS A 113 2.234 0.127 -7.653 1.00 0.40 C ATOM 353 C LYS A 113 1.298 1.053 -8.432 1.00 0.34 C ATOM 354 O LYS A 113 1.661 2.144 -8.827 1.00 0.30 O ATOM 355 CB LYS A 113 2.670 -1.050 -8.529 1.00 0.50 C ATOM 356 CG LYS A 113 3.729 -1.874 -7.796 1.00 0.72 C ATOM 357 CD LYS A 113 4.098 -3.095 -8.644 1.00 0.89 C ATOM 358 CE LYS A 113 4.795 -2.642 -9.935 1.00 1.51 C ATOM 359 NZ LYS A 113 3.913 -3.112 -11.041 1.00 1.66 N ATOM 0 H LYS A 113 1.395 -1.498 -6.540 1.00 0.37 H new ATOM 0 HA LYS A 113 3.095 0.705 -7.318 1.00 0.40 H new ATOM 0 HB2 LYS A 113 1.810 -1.676 -8.768 1.00 0.50 H new ATOM 0 HB3 LYS A 113 3.071 -0.683 -9.474 1.00 0.50 H new ATOM 0 HG2 LYS A 113 4.614 -1.266 -7.609 1.00 0.72 H new ATOM 0 HG3 LYS A 113 3.350 -2.193 -6.825 1.00 0.72 H new ATOM 0 HD2 LYS A 113 4.754 -3.757 -8.079 1.00 0.89 H new ATOM 0 HD3 LYS A 113 3.201 -3.666 -8.885 1.00 0.89 H new ATOM 0 HE2 LYS A 113 4.914 -1.559 -9.959 1.00 1.51 H new ATOM 0 HE3 LYS A 113 5.793 -3.074 -10.016 1.00 1.51 H new ATOM 0 HZ1 LYS A 113 4.326 -2.838 -11.955 1.00 1.66 H new ATOM 0 HZ2 LYS A 113 3.824 -4.147 -10.998 1.00 1.66 H new ATOM 0 HZ3 LYS A 113 2.972 -2.679 -10.943 1.00 1.66 H new ATOM 373 N ARG A 114 0.073 0.621 -8.613 1.00 0.35 N ATOM 374 CA ARG A 114 -0.935 1.473 -9.326 1.00 0.33 C ATOM 375 C ARG A 114 -1.148 2.770 -8.530 1.00 0.28 C ATOM 376 O ARG A 114 -1.081 3.865 -9.065 1.00 0.29 O ATOM 377 CB ARG A 114 -2.212 0.621 -9.337 1.00 0.37 C ATOM 378 CG ARG A 114 -3.392 1.402 -9.925 1.00 0.38 C ATOM 379 CD ARG A 114 -4.687 0.882 -9.293 1.00 0.43 C ATOM 380 NE ARG A 114 -5.783 1.665 -9.930 1.00 0.57 N ATOM 381 CZ ARG A 114 -7.009 1.530 -9.505 1.00 1.04 C ATOM 382 NH1 ARG A 114 -7.600 0.369 -9.580 1.00 1.62 N ATOM 383 NH2 ARG A 114 -7.641 2.553 -9.002 1.00 1.77 N ATOM 0 H ARG A 114 -0.274 -0.285 -8.298 1.00 0.35 H new ATOM 0 HA ARG A 114 -0.630 1.758 -10.333 1.00 0.33 H new ATOM 0 HB2 ARG A 114 -2.044 -0.284 -9.921 1.00 0.37 H new ATOM 0 HB3 ARG A 114 -2.451 0.305 -8.321 1.00 0.37 H new ATOM 0 HG2 ARG A 114 -3.276 2.468 -9.727 1.00 0.38 H new ATOM 0 HG3 ARG A 114 -3.424 1.280 -11.008 1.00 0.38 H new ATOM 0 HD2 ARG A 114 -4.811 -0.186 -9.474 1.00 0.43 H new ATOM 0 HD3 ARG A 114 -4.681 1.023 -8.212 1.00 0.43 H new ATOM 0 HE ARG A 114 -5.575 2.305 -10.697 1.00 0.57 H new ATOM 0 HH11 ARG A 114 -7.103 -0.432 -9.971 1.00 1.62 H new ATOM 0 HH12 ARG A 114 -8.559 0.262 -9.248 1.00 1.62 H new ATOM 0 HH21 ARG A 114 -7.177 3.459 -8.941 1.00 1.77 H new ATOM 0 HH22 ARG A 114 -8.600 2.447 -8.670 1.00 1.77 H new ATOM 397 N LEU A 115 -1.390 2.645 -7.250 1.00 0.26 N ATOM 398 CA LEU A 115 -1.593 3.854 -6.399 1.00 0.25 C ATOM 399 C LEU A 115 -0.270 4.607 -6.244 1.00 0.25 C ATOM 400 O LEU A 115 -0.257 5.801 -6.023 1.00 0.26 O ATOM 401 CB LEU A 115 -2.100 3.336 -5.051 1.00 0.26 C ATOM 402 CG LEU A 115 -3.531 2.816 -5.212 1.00 0.25 C ATOM 403 CD1 LEU A 115 -3.981 2.135 -3.919 1.00 0.32 C ATOM 404 CD2 LEU A 115 -4.464 3.991 -5.514 1.00 0.23 C ATOM 0 H LEU A 115 -1.456 1.754 -6.757 1.00 0.26 H new ATOM 0 HA LEU A 115 -2.306 4.553 -6.837 1.00 0.25 H new ATOM 0 HB2 LEU A 115 -1.451 2.540 -4.687 1.00 0.26 H new ATOM 0 HB3 LEU A 115 -2.072 4.134 -4.309 1.00 0.26 H new ATOM 0 HG LEU A 115 -3.564 2.097 -6.030 1.00 0.25 H new ATOM 0 HD11 LEU A 115 -5.000 1.766 -4.038 1.00 0.32 H new ATOM 0 HD12 LEU A 115 -3.316 1.300 -3.697 1.00 0.32 H new ATOM 0 HD13 LEU A 115 -3.948 2.853 -3.099 1.00 0.32 H new ATOM 0 HD21 LEU A 115 -5.484 3.625 -5.629 1.00 0.23 H new ATOM 0 HD22 LEU A 115 -4.426 4.706 -4.692 1.00 0.23 H new ATOM 0 HD23 LEU A 115 -4.147 4.480 -6.435 1.00 0.23 H new ATOM 416 N ALA A 116 0.846 3.924 -6.378 1.00 0.26 N ATOM 417 CA ALA A 116 2.170 4.614 -6.259 1.00 0.28 C ATOM 418 C ALA A 116 2.249 5.698 -7.336 1.00 0.26 C ATOM 419 O ALA A 116 2.583 6.846 -7.075 1.00 0.27 O ATOM 420 CB ALA A 116 3.221 3.528 -6.515 1.00 0.31 C ATOM 0 H ALA A 116 0.895 2.922 -6.564 1.00 0.26 H new ATOM 0 HA ALA A 116 2.320 5.085 -5.288 1.00 0.28 H new ATOM 0 HB1 ALA A 116 4.218 3.963 -6.444 1.00 0.31 H new ATOM 0 HB2 ALA A 116 3.116 2.737 -5.772 1.00 0.31 H new ATOM 0 HB3 ALA A 116 3.078 3.111 -7.512 1.00 0.31 H new ATOM 426 N ARG A 117 1.894 5.340 -8.547 1.00 0.27 N ATOM 427 CA ARG A 117 1.894 6.337 -9.654 1.00 0.30 C ATOM 428 C ARG A 117 0.900 7.450 -9.303 1.00 0.32 C ATOM 429 O ARG A 117 1.161 8.622 -9.502 1.00 0.33 O ATOM 430 CB ARG A 117 1.429 5.562 -10.891 1.00 0.35 C ATOM 431 CG ARG A 117 2.514 4.565 -11.304 1.00 0.37 C ATOM 432 CD ARG A 117 3.620 5.293 -12.070 1.00 1.31 C ATOM 433 NE ARG A 117 4.621 4.237 -12.389 1.00 1.53 N ATOM 434 CZ ARG A 117 5.384 4.356 -13.440 1.00 1.93 C ATOM 435 NH1 ARG A 117 4.851 4.419 -14.629 1.00 2.24 N ATOM 436 NH2 ARG A 117 6.681 4.411 -13.302 1.00 2.61 N ATOM 0 H ARG A 117 1.605 4.399 -8.813 1.00 0.27 H new ATOM 0 HA ARG A 117 2.868 6.796 -9.822 1.00 0.30 H new ATOM 0 HB2 ARG A 117 0.499 5.036 -10.676 1.00 0.35 H new ATOM 0 HB3 ARG A 117 1.223 6.252 -11.710 1.00 0.35 H new ATOM 0 HG2 ARG A 117 2.929 4.079 -10.421 1.00 0.37 H new ATOM 0 HG3 ARG A 117 2.083 3.781 -11.927 1.00 0.37 H new ATOM 0 HD2 ARG A 117 3.233 5.758 -12.977 1.00 1.31 H new ATOM 0 HD3 ARG A 117 4.061 6.087 -11.468 1.00 1.31 H new ATOM 0 HE ARG A 117 4.710 3.420 -11.785 1.00 1.53 H new ATOM 0 HH11 ARG A 117 3.838 4.375 -14.737 1.00 2.24 H new ATOM 0 HH12 ARG A 117 5.448 4.512 -15.451 1.00 2.24 H new ATOM 0 HH21 ARG A 117 7.098 4.361 -12.372 1.00 2.61 H new ATOM 0 HH22 ARG A 117 7.278 4.504 -14.124 1.00 2.61 H new ATOM 450 N GLU A 118 -0.228 7.078 -8.738 1.00 0.34 N ATOM 451 CA GLU A 118 -1.238 8.099 -8.320 1.00 0.39 C ATOM 452 C GLU A 118 -0.644 8.946 -7.192 1.00 0.39 C ATOM 453 O GLU A 118 -0.862 10.140 -7.115 1.00 0.41 O ATOM 454 CB GLU A 118 -2.457 7.305 -7.845 1.00 0.43 C ATOM 455 CG GLU A 118 -3.123 6.639 -9.052 1.00 0.47 C ATOM 456 CD GLU A 118 -4.252 5.723 -8.580 1.00 0.53 C ATOM 457 OE1 GLU A 118 -5.225 6.236 -8.052 1.00 1.45 O ATOM 458 OE2 GLU A 118 -4.125 4.522 -8.756 1.00 0.76 O ATOM 0 H GLU A 118 -0.490 6.110 -8.550 1.00 0.34 H new ATOM 0 HA GLU A 118 -1.518 8.778 -9.125 1.00 0.39 H new ATOM 0 HB2 GLU A 118 -2.155 6.551 -7.119 1.00 0.43 H new ATOM 0 HB3 GLU A 118 -3.164 7.966 -7.343 1.00 0.43 H new ATOM 0 HG2 GLU A 118 -3.517 7.399 -9.727 1.00 0.47 H new ATOM 0 HG3 GLU A 118 -2.387 6.064 -9.614 1.00 0.47 H new ATOM 465 N LEU A 119 0.146 8.333 -6.340 1.00 0.37 N ATOM 466 CA LEU A 119 0.809 9.094 -5.232 1.00 0.38 C ATOM 467 C LEU A 119 1.941 9.966 -5.803 1.00 0.36 C ATOM 468 O LEU A 119 2.534 10.757 -5.099 1.00 0.39 O ATOM 469 CB LEU A 119 1.384 8.032 -4.301 1.00 0.38 C ATOM 470 CG LEU A 119 0.244 7.316 -3.574 1.00 0.56 C ATOM 471 CD1 LEU A 119 0.747 5.981 -3.008 1.00 1.33 C ATOM 472 CD2 LEU A 119 -0.257 8.205 -2.431 1.00 0.58 C ATOM 0 H LEU A 119 0.360 7.336 -6.365 1.00 0.37 H new ATOM 0 HA LEU A 119 0.114 9.755 -4.714 1.00 0.38 H new ATOM 0 HB2 LEU A 119 1.973 7.314 -4.872 1.00 0.38 H new ATOM 0 HB3 LEU A 119 2.057 8.493 -3.578 1.00 0.38 H new ATOM 0 HG LEU A 119 -0.570 7.121 -4.272 1.00 0.56 H new ATOM 0 HD11 LEU A 119 -0.068 5.475 -2.491 1.00 1.33 H new ATOM 0 HD12 LEU A 119 1.106 5.352 -3.823 1.00 1.33 H new ATOM 0 HD13 LEU A 119 1.561 6.167 -2.307 1.00 1.33 H new ATOM 0 HD21 LEU A 119 -1.070 7.701 -1.908 1.00 0.58 H new ATOM 0 HD22 LEU A 119 0.559 8.396 -1.734 1.00 0.58 H new ATOM 0 HD23 LEU A 119 -0.617 9.150 -2.837 1.00 0.58 H new ATOM 484 N LYS A 120 2.237 9.824 -7.083 1.00 0.34 N ATOM 485 CA LYS A 120 3.311 10.631 -7.740 1.00 0.35 C ATOM 486 C LYS A 120 4.660 10.382 -7.072 1.00 0.30 C ATOM 487 O LYS A 120 5.402 11.304 -6.787 1.00 0.33 O ATOM 488 CB LYS A 120 2.893 12.100 -7.588 1.00 0.48 C ATOM 489 CG LYS A 120 1.536 12.314 -8.263 1.00 1.05 C ATOM 490 CD LYS A 120 1.118 13.776 -8.113 1.00 1.11 C ATOM 491 CE LYS A 120 -0.250 13.987 -8.766 1.00 2.02 C ATOM 492 NZ LYS A 120 -0.575 15.418 -8.514 1.00 2.16 N ATOM 0 H LYS A 120 1.765 9.168 -7.705 1.00 0.34 H new ATOM 0 HA LYS A 120 3.425 10.358 -8.789 1.00 0.35 H new ATOM 0 HB2 LYS A 120 2.833 12.365 -6.532 1.00 0.48 H new ATOM 0 HB3 LYS A 120 3.642 12.751 -8.038 1.00 0.48 H new ATOM 0 HG2 LYS A 120 1.597 12.048 -9.318 1.00 1.05 H new ATOM 0 HG3 LYS A 120 0.787 11.662 -7.813 1.00 1.05 H new ATOM 0 HD2 LYS A 120 1.074 14.046 -7.058 1.00 1.11 H new ATOM 0 HD3 LYS A 120 1.859 14.426 -8.578 1.00 1.11 H new ATOM 0 HE2 LYS A 120 -0.216 13.771 -9.834 1.00 2.02 H new ATOM 0 HE3 LYS A 120 -1.002 13.328 -8.331 1.00 2.02 H new ATOM 0 HZ1 LYS A 120 -1.501 15.643 -8.932 1.00 2.16 H new ATOM 0 HZ2 LYS A 120 -0.606 15.592 -7.489 1.00 2.16 H new ATOM 0 HZ3 LYS A 120 0.155 16.021 -8.945 1.00 2.16 H new ATOM 506 N VAL A 121 4.995 9.137 -6.847 1.00 0.29 N ATOM 507 CA VAL A 121 6.315 8.819 -6.228 1.00 0.33 C ATOM 508 C VAL A 121 7.403 8.983 -7.290 1.00 0.37 C ATOM 509 O VAL A 121 7.157 8.800 -8.468 1.00 0.42 O ATOM 510 CB VAL A 121 6.225 7.362 -5.767 1.00 0.36 C ATOM 511 CG1 VAL A 121 7.557 6.939 -5.141 1.00 1.65 C ATOM 512 CG2 VAL A 121 5.110 7.225 -4.728 1.00 1.29 C ATOM 0 H VAL A 121 4.412 8.329 -7.065 1.00 0.29 H new ATOM 0 HA VAL A 121 6.555 9.474 -5.390 1.00 0.33 H new ATOM 0 HB VAL A 121 6.007 6.724 -6.624 1.00 0.36 H new ATOM 0 HG11 VAL A 121 7.492 5.902 -4.813 1.00 1.65 H new ATOM 0 HG12 VAL A 121 8.353 7.037 -5.879 1.00 1.65 H new ATOM 0 HG13 VAL A 121 7.775 7.577 -4.285 1.00 1.65 H new ATOM 0 HG21 VAL A 121 5.045 6.188 -4.399 1.00 1.29 H new ATOM 0 HG22 VAL A 121 5.329 7.864 -3.873 1.00 1.29 H new ATOM 0 HG23 VAL A 121 4.161 7.525 -5.171 1.00 1.29 H new ATOM 522 N SER A 122 8.601 9.337 -6.891 1.00 0.45 N ATOM 523 CA SER A 122 9.705 9.526 -7.890 1.00 0.52 C ATOM 524 C SER A 122 9.831 8.299 -8.795 1.00 0.44 C ATOM 525 O SER A 122 9.987 7.185 -8.333 1.00 0.35 O ATOM 526 CB SER A 122 10.973 9.700 -7.053 1.00 0.63 C ATOM 527 OG SER A 122 11.013 11.020 -6.527 1.00 1.10 O ATOM 0 H SER A 122 8.864 9.503 -5.920 1.00 0.45 H new ATOM 0 HA SER A 122 9.520 10.380 -8.542 1.00 0.52 H new ATOM 0 HB2 SER A 122 10.989 8.972 -6.241 1.00 0.63 H new ATOM 0 HB3 SER A 122 11.855 9.514 -7.666 1.00 0.63 H new ATOM 0 HG SER A 122 11.824 11.133 -5.989 1.00 1.10 H new ATOM 533 N GLU A 123 9.769 8.507 -10.087 1.00 0.55 N ATOM 534 CA GLU A 123 9.889 7.365 -11.048 1.00 0.58 C ATOM 535 C GLU A 123 11.200 6.619 -10.790 1.00 0.52 C ATOM 536 O GLU A 123 11.316 5.436 -11.051 1.00 0.53 O ATOM 537 CB GLU A 123 9.905 8.005 -12.438 1.00 0.77 C ATOM 538 CG GLU A 123 9.994 6.910 -13.508 1.00 1.44 C ATOM 539 CD GLU A 123 10.052 7.537 -14.910 1.00 1.61 C ATOM 540 OE1 GLU A 123 9.845 8.736 -15.024 1.00 2.15 O ATOM 541 OE2 GLU A 123 10.305 6.801 -15.850 1.00 1.75 O ATOM 0 H GLU A 123 9.640 9.422 -10.520 1.00 0.55 H new ATOM 0 HA GLU A 123 9.075 6.648 -10.947 1.00 0.58 H new ATOM 0 HB2 GLU A 123 9.004 8.600 -12.586 1.00 0.77 H new ATOM 0 HB3 GLU A 123 10.753 8.684 -12.527 1.00 0.77 H new ATOM 0 HG2 GLU A 123 10.880 6.298 -13.339 1.00 1.44 H new ATOM 0 HG3 GLU A 123 9.131 6.248 -13.434 1.00 1.44 H new ATOM 548 N ALA A 124 12.186 7.311 -10.272 1.00 0.50 N ATOM 549 CA ALA A 124 13.498 6.655 -9.983 1.00 0.50 C ATOM 550 C ALA A 124 13.297 5.490 -9.009 1.00 0.39 C ATOM 551 O ALA A 124 13.781 4.396 -9.233 1.00 0.45 O ATOM 552 CB ALA A 124 14.361 7.746 -9.345 1.00 0.56 C ATOM 0 H ALA A 124 12.138 8.302 -10.037 1.00 0.50 H new ATOM 0 HA ALA A 124 13.963 6.247 -10.880 1.00 0.50 H new ATOM 0 HB1 ALA A 124 15.343 7.339 -9.104 1.00 0.56 H new ATOM 0 HB2 ALA A 124 14.474 8.576 -10.043 1.00 0.56 H new ATOM 0 HB3 ALA A 124 13.882 8.102 -8.433 1.00 0.56 H new ATOM 558 N LYS A 125 12.574 5.713 -7.937 1.00 0.31 N ATOM 559 CA LYS A 125 12.329 4.613 -6.951 1.00 0.34 C ATOM 560 C LYS A 125 11.605 3.449 -7.628 1.00 0.34 C ATOM 561 O LYS A 125 12.017 2.309 -7.527 1.00 0.39 O ATOM 562 CB LYS A 125 11.442 5.232 -5.870 1.00 0.42 C ATOM 563 CG LYS A 125 12.251 6.242 -5.058 1.00 0.54 C ATOM 564 CD LYS A 125 11.359 6.855 -3.979 1.00 0.75 C ATOM 565 CE LYS A 125 12.165 7.866 -3.163 1.00 0.75 C ATOM 566 NZ LYS A 125 12.628 7.109 -1.967 1.00 1.56 N ATOM 0 H LYS A 125 12.144 6.608 -7.703 1.00 0.31 H new ATOM 0 HA LYS A 125 13.258 4.218 -6.539 1.00 0.34 H new ATOM 0 HB2 LYS A 125 10.583 5.723 -6.328 1.00 0.42 H new ATOM 0 HB3 LYS A 125 11.052 4.453 -5.215 1.00 0.42 H new ATOM 0 HG2 LYS A 125 13.111 5.752 -4.600 1.00 0.54 H new ATOM 0 HG3 LYS A 125 12.640 7.023 -5.711 1.00 0.54 H new ATOM 0 HD2 LYS A 125 10.500 7.344 -4.438 1.00 0.75 H new ATOM 0 HD3 LYS A 125 10.970 6.073 -3.327 1.00 0.75 H new ATOM 0 HE2 LYS A 125 13.007 8.254 -3.736 1.00 0.75 H new ATOM 0 HE3 LYS A 125 11.553 8.721 -2.877 1.00 0.75 H new ATOM 0 HZ1 LYS A 125 13.190 7.735 -1.356 1.00 1.56 H new ATOM 0 HZ2 LYS A 125 11.804 6.757 -1.439 1.00 1.56 H new ATOM 0 HZ3 LYS A 125 13.214 6.305 -2.270 1.00 1.56 H new ATOM 580 N MET A 126 10.537 3.733 -8.328 1.00 0.42 N ATOM 581 CA MET A 126 9.786 2.650 -9.035 1.00 0.56 C ATOM 582 C MET A 126 10.705 1.957 -10.043 1.00 0.57 C ATOM 583 O MET A 126 10.670 0.753 -10.210 1.00 0.66 O ATOM 584 CB MET A 126 8.618 3.346 -9.745 1.00 0.70 C ATOM 585 CG MET A 126 7.414 3.437 -8.799 1.00 1.10 C ATOM 586 SD MET A 126 7.744 4.647 -7.494 1.00 1.90 S ATOM 587 CE MET A 126 6.770 3.850 -6.193 1.00 2.03 C ATOM 0 H MET A 126 10.151 4.670 -8.441 1.00 0.42 H new ATOM 0 HA MET A 126 9.425 1.884 -8.349 1.00 0.56 H new ATOM 0 HB2 MET A 126 8.917 4.344 -10.064 1.00 0.70 H new ATOM 0 HB3 MET A 126 8.345 2.793 -10.644 1.00 0.70 H new ATOM 0 HG2 MET A 126 6.523 3.725 -9.357 1.00 1.10 H new ATOM 0 HG3 MET A 126 7.212 2.461 -8.359 1.00 1.10 H new ATOM 0 HE1 MET A 126 6.046 4.560 -5.794 1.00 2.03 H new ATOM 0 HE2 MET A 126 6.244 2.990 -6.607 1.00 2.03 H new ATOM 0 HE3 MET A 126 7.433 3.520 -5.393 1.00 2.03 H new ATOM 597 N ASP A 127 11.524 2.722 -10.717 1.00 0.55 N ATOM 598 CA ASP A 127 12.457 2.137 -11.728 1.00 0.62 C ATOM 599 C ASP A 127 13.368 1.089 -11.077 1.00 0.54 C ATOM 600 O ASP A 127 13.671 0.072 -11.672 1.00 0.59 O ATOM 601 CB ASP A 127 13.283 3.319 -12.247 1.00 0.71 C ATOM 602 CG ASP A 127 14.129 2.881 -13.448 1.00 1.04 C ATOM 603 OD1 ASP A 127 14.422 1.700 -13.551 1.00 1.60 O ATOM 604 OD2 ASP A 127 14.473 3.739 -14.244 1.00 1.71 O ATOM 0 H ASP A 127 11.587 3.734 -10.610 1.00 0.55 H new ATOM 0 HA ASP A 127 11.921 1.632 -12.531 1.00 0.62 H new ATOM 0 HB2 ASP A 127 12.622 4.136 -12.536 1.00 0.71 H new ATOM 0 HB3 ASP A 127 13.929 3.697 -11.455 1.00 0.71 H new ATOM 609 N GLY A 128 13.800 1.323 -9.859 1.00 0.46 N ATOM 610 CA GLY A 128 14.682 0.326 -9.181 1.00 0.46 C ATOM 611 C GLY A 128 13.887 -0.905 -8.736 1.00 0.48 C ATOM 612 O GLY A 128 14.274 -2.025 -9.013 1.00 0.51 O ATOM 0 H GLY A 128 13.581 2.155 -9.311 1.00 0.46 H new ATOM 0 HA2 GLY A 128 15.479 0.022 -9.859 1.00 0.46 H new ATOM 0 HA3 GLY A 128 15.158 0.787 -8.316 1.00 0.46 H new ATOM 616 N ILE A 129 12.791 -0.715 -8.041 1.00 0.54 N ATOM 617 CA ILE A 129 11.991 -1.893 -7.573 1.00 0.68 C ATOM 618 C ILE A 129 11.506 -2.723 -8.779 1.00 0.68 C ATOM 619 O ILE A 129 11.651 -3.930 -8.805 1.00 0.72 O ATOM 620 CB ILE A 129 10.835 -1.284 -6.717 1.00 0.86 C ATOM 621 CG1 ILE A 129 10.807 -1.980 -5.353 1.00 1.04 C ATOM 622 CG2 ILE A 129 9.452 -1.436 -7.379 1.00 1.77 C ATOM 623 CD1 ILE A 129 12.044 -1.571 -4.550 1.00 2.01 C ATOM 0 H ILE A 129 12.417 0.197 -7.779 1.00 0.54 H new ATOM 0 HA ILE A 129 12.566 -2.596 -6.970 1.00 0.68 H new ATOM 0 HB ILE A 129 11.034 -0.217 -6.618 1.00 0.86 H new ATOM 0 HG12 ILE A 129 9.901 -1.707 -4.811 1.00 1.04 H new ATOM 0 HG13 ILE A 129 10.786 -3.062 -5.484 1.00 1.04 H new ATOM 0 HG21 ILE A 129 8.691 -0.994 -6.737 1.00 1.77 H new ATOM 0 HG22 ILE A 129 9.453 -0.928 -8.344 1.00 1.77 H new ATOM 0 HG23 ILE A 129 9.233 -2.494 -7.526 1.00 1.77 H new ATOM 0 HD11 ILE A 129 12.027 -2.065 -3.578 1.00 2.01 H new ATOM 0 HD12 ILE A 129 12.943 -1.866 -5.091 1.00 2.01 H new ATOM 0 HD13 ILE A 129 12.044 -0.490 -4.408 1.00 2.01 H new ATOM 635 N GLU A 130 10.919 -2.086 -9.759 1.00 0.70 N ATOM 636 CA GLU A 130 10.406 -2.840 -10.947 1.00 0.77 C ATOM 637 C GLU A 130 11.539 -3.590 -11.662 1.00 0.65 C ATOM 638 O GLU A 130 11.421 -4.764 -11.961 1.00 0.68 O ATOM 639 CB GLU A 130 9.822 -1.771 -11.875 1.00 0.85 C ATOM 640 CG GLU A 130 8.567 -1.164 -11.238 1.00 1.41 C ATOM 641 CD GLU A 130 7.970 -0.085 -12.155 1.00 1.66 C ATOM 642 OE1 GLU A 130 8.473 0.093 -13.255 1.00 2.01 O ATOM 643 OE2 GLU A 130 7.013 0.547 -11.739 1.00 2.14 O ATOM 0 H GLU A 130 10.772 -1.077 -9.790 1.00 0.70 H new ATOM 0 HA GLU A 130 9.671 -3.590 -10.654 1.00 0.77 H new ATOM 0 HB2 GLU A 130 10.562 -0.992 -12.059 1.00 0.85 H new ATOM 0 HB3 GLU A 130 9.575 -2.210 -12.842 1.00 0.85 H new ATOM 0 HG2 GLU A 130 7.829 -1.945 -11.057 1.00 1.41 H new ATOM 0 HG3 GLU A 130 8.816 -0.730 -10.270 1.00 1.41 H new ATOM 650 N GLU A 131 12.622 -2.915 -11.959 1.00 0.59 N ATOM 651 CA GLU A 131 13.756 -3.579 -12.681 1.00 0.55 C ATOM 652 C GLU A 131 14.422 -4.664 -11.826 1.00 0.47 C ATOM 653 O GLU A 131 14.673 -5.761 -12.290 1.00 0.45 O ATOM 654 CB GLU A 131 14.754 -2.455 -12.983 1.00 0.63 C ATOM 655 CG GLU A 131 15.945 -3.019 -13.772 1.00 1.38 C ATOM 656 CD GLU A 131 16.958 -1.907 -14.084 1.00 1.89 C ATOM 657 OE1 GLU A 131 16.640 -0.748 -13.862 1.00 2.50 O ATOM 658 OE2 GLU A 131 18.040 -2.237 -14.540 1.00 2.30 O ATOM 0 H GLU A 131 12.772 -1.932 -11.733 1.00 0.59 H new ATOM 0 HA GLU A 131 13.404 -4.081 -13.582 1.00 0.55 H new ATOM 0 HB2 GLU A 131 14.266 -1.667 -13.556 1.00 0.63 H new ATOM 0 HB3 GLU A 131 15.102 -2.005 -12.053 1.00 0.63 H new ATOM 0 HG2 GLU A 131 16.429 -3.809 -13.197 1.00 1.38 H new ATOM 0 HG3 GLU A 131 15.593 -3.470 -14.700 1.00 1.38 H new ATOM 665 N LYS A 132 14.738 -4.354 -10.597 1.00 0.51 N ATOM 666 CA LYS A 132 15.426 -5.354 -9.721 1.00 0.53 C ATOM 667 C LYS A 132 14.495 -6.513 -9.360 1.00 0.54 C ATOM 668 O LYS A 132 14.910 -7.657 -9.319 1.00 0.63 O ATOM 669 CB LYS A 132 15.845 -4.581 -8.467 1.00 0.68 C ATOM 670 CG LYS A 132 16.967 -3.603 -8.828 1.00 1.39 C ATOM 671 CD LYS A 132 17.399 -2.829 -7.580 1.00 1.91 C ATOM 672 CE LYS A 132 18.466 -1.798 -7.962 1.00 2.62 C ATOM 673 NZ LYS A 132 19.766 -2.514 -7.840 1.00 2.69 N ATOM 0 H LYS A 132 14.551 -3.452 -10.159 1.00 0.51 H new ATOM 0 HA LYS A 132 16.282 -5.801 -10.227 1.00 0.53 H new ATOM 0 HB2 LYS A 132 14.992 -4.039 -8.058 1.00 0.68 H new ATOM 0 HB3 LYS A 132 16.184 -5.273 -7.695 1.00 0.68 H new ATOM 0 HG2 LYS A 132 17.816 -4.146 -9.243 1.00 1.39 H new ATOM 0 HG3 LYS A 132 16.625 -2.910 -9.597 1.00 1.39 H new ATOM 0 HD2 LYS A 132 16.539 -2.330 -7.133 1.00 1.91 H new ATOM 0 HD3 LYS A 132 17.793 -3.516 -6.831 1.00 1.91 H new ATOM 0 HE2 LYS A 132 18.313 -1.431 -8.977 1.00 2.62 H new ATOM 0 HE3 LYS A 132 18.430 -0.932 -7.301 1.00 2.62 H new ATOM 0 HZ1 LYS A 132 20.543 -1.868 -8.087 1.00 2.69 H new ATOM 0 HZ2 LYS A 132 19.889 -2.846 -6.862 1.00 2.69 H new ATOM 0 HZ3 LYS A 132 19.775 -3.329 -8.486 1.00 2.69 H new ATOM 687 N TYR A 133 13.248 -6.231 -9.091 1.00 0.55 N ATOM 688 CA TYR A 133 12.295 -7.318 -8.722 1.00 0.65 C ATOM 689 C TYR A 133 11.305 -7.574 -9.870 1.00 0.54 C ATOM 690 O TYR A 133 10.410 -6.785 -10.092 1.00 0.66 O ATOM 691 CB TYR A 133 11.586 -6.785 -7.483 1.00 0.89 C ATOM 692 CG TYR A 133 12.586 -6.715 -6.355 1.00 1.14 C ATOM 693 CD1 TYR A 133 13.054 -7.894 -5.765 1.00 0.98 C ATOM 694 CD2 TYR A 133 13.057 -5.474 -5.910 1.00 2.20 C ATOM 695 CE1 TYR A 133 13.991 -7.836 -4.727 1.00 1.14 C ATOM 696 CE2 TYR A 133 13.996 -5.414 -4.873 1.00 2.44 C ATOM 697 CZ TYR A 133 14.465 -6.597 -4.279 1.00 1.67 C ATOM 698 OH TYR A 133 15.394 -6.550 -3.251 1.00 1.95 O ATOM 0 H TYR A 133 12.848 -5.293 -9.111 1.00 0.55 H new ATOM 0 HA TYR A 133 12.787 -8.272 -8.533 1.00 0.65 H new ATOM 0 HB2 TYR A 133 11.168 -5.798 -7.681 1.00 0.89 H new ATOM 0 HB3 TYR A 133 10.754 -7.436 -7.213 1.00 0.89 H new ATOM 0 HD1 TYR A 133 12.692 -8.851 -6.111 1.00 0.98 H new ATOM 0 HD2 TYR A 133 12.696 -4.564 -6.366 1.00 2.20 H new ATOM 0 HE1 TYR A 133 14.349 -8.747 -4.271 1.00 1.14 H new ATOM 0 HE2 TYR A 133 14.360 -4.457 -4.530 1.00 2.44 H new ATOM 0 HH TYR A 133 14.950 -6.744 -2.399 1.00 1.95 H new ATOM 708 N PRO A 134 11.504 -8.669 -10.581 1.00 0.51 N ATOM 709 CA PRO A 134 10.614 -8.994 -11.718 1.00 0.53 C ATOM 710 C PRO A 134 9.312 -9.659 -11.255 1.00 0.47 C ATOM 711 O PRO A 134 8.335 -9.666 -11.983 1.00 0.54 O ATOM 712 CB PRO A 134 11.436 -9.976 -12.546 1.00 0.70 C ATOM 713 CG PRO A 134 12.389 -10.615 -11.583 1.00 0.76 C ATOM 714 CD PRO A 134 12.559 -9.683 -10.410 1.00 0.66 C ATOM 0 HA PRO A 134 10.311 -8.102 -12.266 1.00 0.53 H new ATOM 0 HB2 PRO A 134 10.797 -10.722 -13.018 1.00 0.70 H new ATOM 0 HB3 PRO A 134 11.971 -9.463 -13.345 1.00 0.70 H new ATOM 0 HG2 PRO A 134 12.006 -11.580 -11.251 1.00 0.76 H new ATOM 0 HG3 PRO A 134 13.349 -10.802 -12.064 1.00 0.76 H new ATOM 0 HD2 PRO A 134 12.449 -10.213 -9.464 1.00 0.66 H new ATOM 0 HD3 PRO A 134 13.549 -9.227 -10.407 1.00 0.66 H new ATOM 722 N ARG A 135 9.280 -10.234 -10.072 1.00 0.43 N ATOM 723 CA ARG A 135 8.018 -10.904 -9.622 1.00 0.48 C ATOM 724 C ARG A 135 7.860 -10.900 -8.094 1.00 0.43 C ATOM 725 O ARG A 135 7.074 -11.659 -7.558 1.00 0.60 O ATOM 726 CB ARG A 135 8.134 -12.339 -10.137 1.00 0.70 C ATOM 727 CG ARG A 135 6.738 -12.880 -10.459 1.00 0.91 C ATOM 728 CD ARG A 135 6.173 -13.601 -9.233 1.00 1.17 C ATOM 729 NE ARG A 135 5.368 -14.735 -9.773 1.00 1.44 N ATOM 730 CZ ARG A 135 4.712 -15.516 -8.957 1.00 2.17 C ATOM 731 NH1 ARG A 135 5.261 -15.899 -7.836 1.00 2.61 N ATOM 732 NH2 ARG A 135 3.508 -15.915 -9.262 1.00 3.07 N ATOM 0 H ARG A 135 10.057 -10.268 -9.412 1.00 0.43 H new ATOM 0 HA ARG A 135 7.143 -10.380 -10.006 1.00 0.48 H new ATOM 0 HB2 ARG A 135 8.761 -12.367 -11.028 1.00 0.70 H new ATOM 0 HB3 ARG A 135 8.616 -12.968 -9.388 1.00 0.70 H new ATOM 0 HG2 ARG A 135 6.078 -12.063 -10.749 1.00 0.91 H new ATOM 0 HG3 ARG A 135 6.788 -13.565 -11.305 1.00 0.91 H new ATOM 0 HD2 ARG A 135 6.973 -13.961 -8.586 1.00 1.17 H new ATOM 0 HD3 ARG A 135 5.555 -12.932 -8.634 1.00 1.17 H new ATOM 0 HE ARG A 135 5.330 -14.900 -10.779 1.00 1.44 H new ATOM 0 HH11 ARG A 135 6.203 -15.588 -7.597 1.00 2.61 H new ATOM 0 HH12 ARG A 135 4.748 -16.509 -7.199 1.00 2.61 H new ATOM 0 HH21 ARG A 135 3.079 -15.617 -10.138 1.00 3.07 H new ATOM 0 HH22 ARG A 135 2.996 -16.525 -8.625 1.00 3.07 H new ATOM 746 N SER A 136 8.573 -10.061 -7.383 1.00 0.51 N ATOM 747 CA SER A 136 8.416 -10.044 -5.897 1.00 0.44 C ATOM 748 C SER A 136 7.339 -9.049 -5.504 1.00 0.33 C ATOM 749 O SER A 136 7.515 -7.848 -5.582 1.00 0.30 O ATOM 750 CB SER A 136 9.773 -9.622 -5.346 1.00 0.50 C ATOM 751 OG SER A 136 10.648 -10.742 -5.342 1.00 0.90 O ATOM 0 H SER A 136 9.248 -9.396 -7.761 1.00 0.51 H new ATOM 0 HA SER A 136 8.115 -11.015 -5.503 1.00 0.44 H new ATOM 0 HB2 SER A 136 10.192 -8.821 -5.955 1.00 0.50 H new ATOM 0 HB3 SER A 136 9.662 -9.229 -4.335 1.00 0.50 H new ATOM 0 HG SER A 136 11.522 -10.473 -4.990 1.00 0.90 H new ATOM 757 N LEU A 137 6.219 -9.559 -5.070 1.00 0.31 N ATOM 758 CA LEU A 137 5.096 -8.676 -4.648 1.00 0.24 C ATOM 759 C LEU A 137 5.562 -7.820 -3.469 1.00 0.20 C ATOM 760 O LEU A 137 5.340 -6.628 -3.418 1.00 0.21 O ATOM 761 CB LEU A 137 3.985 -9.647 -4.212 1.00 0.23 C ATOM 762 CG LEU A 137 2.722 -8.876 -3.838 1.00 0.21 C ATOM 763 CD1 LEU A 137 2.167 -8.172 -5.080 1.00 0.23 C ATOM 764 CD2 LEU A 137 1.679 -9.863 -3.303 1.00 0.27 C ATOM 0 H LEU A 137 6.033 -10.559 -4.989 1.00 0.31 H new ATOM 0 HA LEU A 137 4.754 -8.000 -5.432 1.00 0.24 H new ATOM 0 HB2 LEU A 137 3.766 -10.346 -5.019 1.00 0.23 H new ATOM 0 HB3 LEU A 137 4.323 -10.238 -3.361 1.00 0.23 H new ATOM 0 HG LEU A 137 2.954 -8.132 -3.076 1.00 0.21 H new ATOM 0 HD11 LEU A 137 1.265 -7.621 -4.813 1.00 0.23 H new ATOM 0 HD12 LEU A 137 2.913 -7.480 -5.470 1.00 0.23 H new ATOM 0 HD13 LEU A 137 1.927 -8.914 -5.842 1.00 0.23 H new ATOM 0 HD21 LEU A 137 0.772 -9.323 -3.032 1.00 0.27 H new ATOM 0 HD22 LEU A 137 1.447 -10.600 -4.072 1.00 0.27 H new ATOM 0 HD23 LEU A 137 2.075 -10.370 -2.423 1.00 0.27 H new ATOM 776 N SER A 138 6.218 -8.446 -2.531 1.00 0.24 N ATOM 777 CA SER A 138 6.731 -7.718 -1.324 1.00 0.26 C ATOM 778 C SER A 138 7.813 -6.686 -1.679 1.00 0.20 C ATOM 779 O SER A 138 7.821 -5.583 -1.166 1.00 0.22 O ATOM 780 CB SER A 138 7.322 -8.814 -0.437 1.00 0.38 C ATOM 781 OG SER A 138 7.922 -8.222 0.708 1.00 1.01 O ATOM 0 H SER A 138 6.426 -9.445 -2.545 1.00 0.24 H new ATOM 0 HA SER A 138 5.934 -7.153 -0.839 1.00 0.26 H new ATOM 0 HB2 SER A 138 6.541 -9.511 -0.133 1.00 0.38 H new ATOM 0 HB3 SER A 138 8.063 -9.388 -0.994 1.00 0.38 H new ATOM 0 HG SER A 138 8.300 -8.923 1.279 1.00 1.01 H new ATOM 787 N GLU A 139 8.748 -7.055 -2.518 1.00 0.24 N ATOM 788 CA GLU A 139 9.866 -6.118 -2.875 1.00 0.25 C ATOM 789 C GLU A 139 9.371 -4.909 -3.669 1.00 0.21 C ATOM 790 O GLU A 139 9.842 -3.802 -3.479 1.00 0.21 O ATOM 791 CB GLU A 139 10.828 -6.938 -3.737 1.00 0.39 C ATOM 792 CG GLU A 139 11.347 -8.140 -2.943 1.00 1.09 C ATOM 793 CD GLU A 139 12.145 -7.659 -1.726 1.00 2.02 C ATOM 794 OE1 GLU A 139 13.130 -6.969 -1.922 1.00 2.24 O ATOM 795 OE2 GLU A 139 11.753 -7.988 -0.619 1.00 2.92 O ATOM 0 H GLU A 139 8.788 -7.966 -2.974 1.00 0.24 H new ATOM 0 HA GLU A 139 10.335 -5.724 -1.973 1.00 0.25 H new ATOM 0 HB2 GLU A 139 10.320 -7.279 -4.639 1.00 0.39 H new ATOM 0 HB3 GLU A 139 11.663 -6.315 -4.058 1.00 0.39 H new ATOM 0 HG2 GLU A 139 10.511 -8.760 -2.618 1.00 1.09 H new ATOM 0 HG3 GLU A 139 11.977 -8.762 -3.579 1.00 1.09 H new ATOM 802 N ARG A 140 8.455 -5.113 -4.578 1.00 0.26 N ATOM 803 CA ARG A 140 7.965 -3.972 -5.412 1.00 0.33 C ATOM 804 C ARG A 140 7.146 -2.976 -4.586 1.00 0.29 C ATOM 805 O ARG A 140 7.423 -1.791 -4.571 1.00 0.35 O ATOM 806 CB ARG A 140 7.064 -4.611 -6.478 1.00 0.42 C ATOM 807 CG ARG A 140 7.911 -5.260 -7.575 1.00 1.07 C ATOM 808 CD ARG A 140 6.980 -5.847 -8.643 1.00 1.17 C ATOM 809 NE ARG A 140 7.879 -6.444 -9.670 1.00 0.98 N ATOM 810 CZ ARG A 140 7.421 -6.703 -10.866 1.00 1.13 C ATOM 811 NH1 ARG A 140 6.446 -7.557 -11.023 1.00 1.55 N ATOM 812 NH2 ARG A 140 7.937 -6.106 -11.907 1.00 1.60 N ATOM 0 H ARG A 140 8.025 -6.016 -4.780 1.00 0.26 H new ATOM 0 HA ARG A 140 8.801 -3.416 -5.836 1.00 0.33 H new ATOM 0 HB2 ARG A 140 6.419 -5.359 -6.017 1.00 0.42 H new ATOM 0 HB3 ARG A 140 6.412 -3.854 -6.913 1.00 0.42 H new ATOM 0 HG2 ARG A 140 8.578 -4.523 -8.021 1.00 1.07 H new ATOM 0 HG3 ARG A 140 8.539 -6.043 -7.152 1.00 1.07 H new ATOM 0 HD2 ARG A 140 6.318 -6.600 -8.216 1.00 1.17 H new ATOM 0 HD3 ARG A 140 6.346 -5.075 -9.078 1.00 1.17 H new ATOM 0 HE ARG A 140 8.851 -6.650 -9.440 1.00 0.98 H new ATOM 0 HH11 ARG A 140 6.041 -8.023 -10.211 1.00 1.55 H new ATOM 0 HH12 ARG A 140 6.090 -7.758 -11.957 1.00 1.55 H new ATOM 0 HH21 ARG A 140 8.698 -5.437 -11.786 1.00 1.60 H new ATOM 0 HH22 ARG A 140 7.579 -6.309 -12.840 1.00 1.60 H new ATOM 826 N VAL A 141 6.126 -3.447 -3.931 1.00 0.24 N ATOM 827 CA VAL A 141 5.244 -2.538 -3.126 1.00 0.27 C ATOM 828 C VAL A 141 5.944 -1.927 -1.905 1.00 0.25 C ATOM 829 O VAL A 141 5.663 -0.807 -1.531 1.00 0.29 O ATOM 830 CB VAL A 141 4.071 -3.400 -2.681 1.00 0.28 C ATOM 831 CG1 VAL A 141 3.340 -3.935 -3.911 1.00 0.33 C ATOM 832 CG2 VAL A 141 4.569 -4.573 -1.838 1.00 0.23 C ATOM 0 H VAL A 141 5.857 -4.431 -3.914 1.00 0.24 H new ATOM 0 HA VAL A 141 4.943 -1.685 -3.734 1.00 0.27 H new ATOM 0 HB VAL A 141 3.392 -2.794 -2.081 1.00 0.28 H new ATOM 0 HG11 VAL A 141 2.499 -4.553 -3.595 1.00 0.33 H new ATOM 0 HG12 VAL A 141 2.972 -3.100 -4.508 1.00 0.33 H new ATOM 0 HG13 VAL A 141 4.026 -4.535 -4.510 1.00 0.33 H new ATOM 0 HG21 VAL A 141 3.721 -5.182 -1.526 1.00 0.23 H new ATOM 0 HG22 VAL A 141 5.254 -5.181 -2.429 1.00 0.23 H new ATOM 0 HG23 VAL A 141 5.087 -4.194 -0.957 1.00 0.23 H new ATOM 842 N ARG A 142 6.808 -2.662 -1.252 1.00 0.21 N ATOM 843 CA ARG A 142 7.477 -2.130 -0.014 1.00 0.22 C ATOM 844 C ARG A 142 8.067 -0.729 -0.235 1.00 0.24 C ATOM 845 O ARG A 142 7.816 0.173 0.543 1.00 0.25 O ATOM 846 CB ARG A 142 8.583 -3.137 0.309 1.00 0.27 C ATOM 847 CG ARG A 142 8.028 -4.235 1.224 1.00 0.28 C ATOM 848 CD ARG A 142 7.928 -3.703 2.656 1.00 1.02 C ATOM 849 NE ARG A 142 9.338 -3.581 3.123 1.00 0.94 N ATOM 850 CZ ARG A 142 9.912 -4.581 3.735 1.00 1.48 C ATOM 851 NH1 ARG A 142 9.641 -4.821 4.989 1.00 2.10 N ATOM 852 NH2 ARG A 142 10.759 -5.339 3.094 1.00 2.24 N ATOM 0 H ARG A 142 7.082 -3.608 -1.518 1.00 0.21 H new ATOM 0 HA ARG A 142 6.762 -2.022 0.802 1.00 0.22 H new ATOM 0 HB2 ARG A 142 8.968 -3.577 -0.611 1.00 0.27 H new ATOM 0 HB3 ARG A 142 9.418 -2.632 0.795 1.00 0.27 H new ATOM 0 HG2 ARG A 142 7.046 -4.554 0.874 1.00 0.28 H new ATOM 0 HG3 ARG A 142 8.677 -5.110 1.194 1.00 0.28 H new ATOM 0 HD2 ARG A 142 7.418 -2.740 2.684 1.00 1.02 H new ATOM 0 HD3 ARG A 142 7.360 -4.383 3.291 1.00 1.02 H new ATOM 0 HE ARG A 142 9.855 -2.716 2.964 1.00 0.94 H new ATOM 0 HH11 ARG A 142 8.981 -4.227 5.491 1.00 2.10 H new ATOM 0 HH12 ARG A 142 10.089 -5.602 5.467 1.00 2.10 H new ATOM 0 HH21 ARG A 142 10.973 -5.150 2.115 1.00 2.24 H new ATOM 0 HH22 ARG A 142 11.207 -6.120 3.572 1.00 2.24 H new ATOM 866 N GLU A 143 8.832 -0.531 -1.280 1.00 0.26 N ATOM 867 CA GLU A 143 9.409 0.829 -1.525 1.00 0.31 C ATOM 868 C GLU A 143 8.283 1.825 -1.817 1.00 0.30 C ATOM 869 O GLU A 143 8.250 2.917 -1.281 1.00 0.31 O ATOM 870 CB GLU A 143 10.324 0.677 -2.741 1.00 0.36 C ATOM 871 CG GLU A 143 10.993 2.024 -3.053 1.00 0.44 C ATOM 872 CD GLU A 143 11.876 2.460 -1.875 1.00 0.97 C ATOM 873 OE1 GLU A 143 12.301 1.598 -1.121 1.00 1.84 O ATOM 874 OE2 GLU A 143 12.108 3.650 -1.746 1.00 1.62 O ATOM 0 H GLU A 143 9.080 -1.242 -1.967 1.00 0.26 H new ATOM 0 HA GLU A 143 9.958 1.204 -0.661 1.00 0.31 H new ATOM 0 HB2 GLU A 143 11.083 -0.081 -2.546 1.00 0.36 H new ATOM 0 HB3 GLU A 143 9.748 0.337 -3.602 1.00 0.36 H new ATOM 0 HG2 GLU A 143 11.596 1.939 -3.957 1.00 0.44 H new ATOM 0 HG3 GLU A 143 10.232 2.780 -3.247 1.00 0.44 H new ATOM 881 N SER A 144 7.359 1.443 -2.658 1.00 0.29 N ATOM 882 CA SER A 144 6.218 2.350 -2.995 1.00 0.29 C ATOM 883 C SER A 144 5.400 2.649 -1.737 1.00 0.28 C ATOM 884 O SER A 144 4.944 3.757 -1.525 1.00 0.28 O ATOM 885 CB SER A 144 5.374 1.575 -4.008 1.00 0.29 C ATOM 886 OG SER A 144 4.171 2.288 -4.257 1.00 1.34 O ATOM 0 H SER A 144 7.344 0.538 -3.129 1.00 0.29 H new ATOM 0 HA SER A 144 6.555 3.306 -3.396 1.00 0.29 H new ATOM 0 HB2 SER A 144 5.930 1.441 -4.936 1.00 0.29 H new ATOM 0 HB3 SER A 144 5.148 0.580 -3.625 1.00 0.29 H new ATOM 0 HG SER A 144 3.403 1.730 -4.013 1.00 1.34 H new ATOM 892 N LEU A 145 5.205 1.661 -0.909 1.00 0.27 N ATOM 893 CA LEU A 145 4.417 1.866 0.343 1.00 0.28 C ATOM 894 C LEU A 145 5.199 2.740 1.330 1.00 0.30 C ATOM 895 O LEU A 145 4.628 3.543 2.042 1.00 0.30 O ATOM 896 CB LEU A 145 4.208 0.466 0.919 1.00 0.29 C ATOM 897 CG LEU A 145 3.244 -0.313 0.024 1.00 0.37 C ATOM 898 CD1 LEU A 145 3.223 -1.782 0.450 1.00 0.73 C ATOM 899 CD2 LEU A 145 1.841 0.280 0.153 1.00 0.67 C ATOM 0 H LEU A 145 5.559 0.714 -1.045 1.00 0.27 H new ATOM 0 HA LEU A 145 3.471 2.373 0.151 1.00 0.28 H new ATOM 0 HB2 LEU A 145 5.162 -0.057 0.987 1.00 0.29 H new ATOM 0 HB3 LEU A 145 3.808 0.533 1.931 1.00 0.29 H new ATOM 0 HG LEU A 145 3.573 -0.244 -1.013 1.00 0.37 H new ATOM 0 HD11 LEU A 145 2.535 -2.336 -0.189 1.00 0.73 H new ATOM 0 HD12 LEU A 145 4.224 -2.202 0.356 1.00 0.73 H new ATOM 0 HD13 LEU A 145 2.894 -1.856 1.487 1.00 0.73 H new ATOM 0 HD21 LEU A 145 1.152 -0.274 -0.484 1.00 0.67 H new ATOM 0 HD22 LEU A 145 1.511 0.212 1.190 1.00 0.67 H new ATOM 0 HD23 LEU A 145 1.858 1.326 -0.154 1.00 0.67 H new ATOM 911 N LYS A 146 6.500 2.576 1.386 1.00 0.33 N ATOM 912 CA LYS A 146 7.324 3.385 2.343 1.00 0.35 C ATOM 913 C LYS A 146 7.178 4.881 2.054 1.00 0.34 C ATOM 914 O LYS A 146 6.927 5.670 2.947 1.00 0.35 O ATOM 915 CB LYS A 146 8.771 2.936 2.114 1.00 0.41 C ATOM 916 CG LYS A 146 9.667 3.523 3.209 1.00 1.01 C ATOM 917 CD LYS A 146 11.120 3.101 2.971 1.00 1.15 C ATOM 918 CE LYS A 146 11.252 1.585 3.141 1.00 1.96 C ATOM 919 NZ LYS A 146 12.713 1.345 3.314 1.00 2.32 N ATOM 0 H LYS A 146 7.027 1.918 0.812 1.00 0.33 H new ATOM 0 HA LYS A 146 7.007 3.232 3.375 1.00 0.35 H new ATOM 0 HB2 LYS A 146 8.831 1.848 2.124 1.00 0.41 H new ATOM 0 HB3 LYS A 146 9.114 3.265 1.133 1.00 0.41 H new ATOM 0 HG2 LYS A 146 9.590 4.610 3.211 1.00 1.01 H new ATOM 0 HG3 LYS A 146 9.334 3.178 4.188 1.00 1.01 H new ATOM 0 HD2 LYS A 146 11.434 3.393 1.969 1.00 1.15 H new ATOM 0 HD3 LYS A 146 11.777 3.614 3.673 1.00 1.15 H new ATOM 0 HE2 LYS A 146 10.689 1.234 4.006 1.00 1.96 H new ATOM 0 HE3 LYS A 146 10.865 1.055 2.271 1.00 1.96 H new ATOM 0 HZ1 LYS A 146 12.885 0.327 3.437 1.00 2.32 H new ATOM 0 HZ2 LYS A 146 13.222 1.684 2.473 1.00 2.32 H new ATOM 0 HZ3 LYS A 146 13.052 1.857 4.153 1.00 2.32 H new ATOM 933 N VAL A 147 7.341 5.284 0.822 1.00 0.32 N ATOM 934 CA VAL A 147 7.206 6.737 0.496 1.00 0.33 C ATOM 935 C VAL A 147 5.769 7.208 0.741 1.00 0.31 C ATOM 936 O VAL A 147 5.546 8.273 1.286 1.00 0.31 O ATOM 937 CB VAL A 147 7.596 6.883 -0.981 1.00 0.36 C ATOM 938 CG1 VAL A 147 9.038 6.418 -1.179 1.00 0.40 C ATOM 939 CG2 VAL A 147 6.679 6.038 -1.867 1.00 0.36 C ATOM 0 H VAL A 147 7.560 4.677 0.032 1.00 0.32 H new ATOM 0 HA VAL A 147 7.847 7.352 1.127 1.00 0.33 H new ATOM 0 HB VAL A 147 7.497 7.932 -1.261 1.00 0.36 H new ATOM 0 HG11 VAL A 147 9.313 6.522 -2.229 1.00 0.40 H new ATOM 0 HG12 VAL A 147 9.704 7.027 -0.567 1.00 0.40 H new ATOM 0 HG13 VAL A 147 9.127 5.373 -0.883 1.00 0.40 H new ATOM 0 HG21 VAL A 147 6.972 6.155 -2.910 1.00 0.36 H new ATOM 0 HG22 VAL A 147 6.763 4.989 -1.582 1.00 0.36 H new ATOM 0 HG23 VAL A 147 5.647 6.366 -1.741 1.00 0.36 H new ATOM 949 N TRP A 148 4.796 6.424 0.350 1.00 0.32 N ATOM 950 CA TRP A 148 3.372 6.830 0.569 1.00 0.33 C ATOM 951 C TRP A 148 3.081 6.934 2.078 1.00 0.32 C ATOM 952 O TRP A 148 2.610 7.952 2.551 1.00 0.32 O ATOM 953 CB TRP A 148 2.527 5.726 -0.115 1.00 0.36 C ATOM 954 CG TRP A 148 1.120 5.713 0.419 1.00 0.28 C ATOM 955 CD1 TRP A 148 0.284 6.778 0.463 1.00 0.30 C ATOM 956 CD2 TRP A 148 0.389 4.593 0.995 1.00 0.24 C ATOM 957 NE1 TRP A 148 -0.908 6.385 1.055 1.00 0.23 N ATOM 958 CE2 TRP A 148 -0.892 5.043 1.396 1.00 0.18 C ATOM 959 CE3 TRP A 148 0.716 3.243 1.210 1.00 0.31 C ATOM 960 CZ2 TRP A 148 -1.814 4.176 1.995 1.00 0.17 C ATOM 961 CZ3 TRP A 148 -0.209 2.373 1.805 1.00 0.33 C ATOM 962 CH2 TRP A 148 -1.468 2.840 2.197 1.00 0.27 C ATOM 0 H TRP A 148 4.924 5.523 -0.110 1.00 0.32 H new ATOM 0 HA TRP A 148 3.140 7.809 0.150 1.00 0.33 H new ATOM 0 HB2 TRP A 148 2.509 5.892 -1.192 1.00 0.36 H new ATOM 0 HB3 TRP A 148 2.991 4.754 0.050 1.00 0.36 H new ATOM 0 HD1 TRP A 148 0.508 7.769 0.098 1.00 0.30 H new ATOM 0 HE1 TRP A 148 -1.699 7.008 1.219 1.00 0.23 H new ATOM 0 HE3 TRP A 148 1.687 2.873 0.915 1.00 0.31 H new ATOM 0 HZ2 TRP A 148 -2.785 4.539 2.298 1.00 0.17 H new ATOM 0 HZ3 TRP A 148 0.052 1.337 1.961 1.00 0.33 H new ATOM 0 HH2 TRP A 148 -2.174 2.164 2.657 1.00 0.27 H new ATOM 973 N LYS A 149 3.341 5.889 2.830 1.00 0.36 N ATOM 974 CA LYS A 149 3.054 5.941 4.295 1.00 0.38 C ATOM 975 C LYS A 149 3.856 7.068 4.970 1.00 0.34 C ATOM 976 O LYS A 149 3.347 7.751 5.840 1.00 0.33 O ATOM 977 CB LYS A 149 3.416 4.549 4.853 1.00 0.52 C ATOM 978 CG LYS A 149 4.933 4.339 4.874 1.00 1.36 C ATOM 979 CD LYS A 149 5.248 2.888 5.249 1.00 2.07 C ATOM 980 CE LYS A 149 4.874 2.635 6.712 1.00 2.80 C ATOM 981 NZ LYS A 149 5.152 1.186 6.933 1.00 3.70 N ATOM 0 H LYS A 149 3.736 5.011 2.494 1.00 0.36 H new ATOM 0 HA LYS A 149 2.007 6.167 4.494 1.00 0.38 H new ATOM 0 HB2 LYS A 149 3.018 4.444 5.862 1.00 0.52 H new ATOM 0 HB3 LYS A 149 2.948 3.777 4.243 1.00 0.52 H new ATOM 0 HG2 LYS A 149 5.356 4.572 3.897 1.00 1.36 H new ATOM 0 HG3 LYS A 149 5.394 5.018 5.591 1.00 1.36 H new ATOM 0 HD2 LYS A 149 4.696 2.208 4.601 1.00 2.07 H new ATOM 0 HD3 LYS A 149 6.308 2.685 5.095 1.00 2.07 H new ATOM 0 HE2 LYS A 149 5.464 3.258 7.384 1.00 2.80 H new ATOM 0 HE3 LYS A 149 3.826 2.869 6.898 1.00 2.80 H new ATOM 0 HZ1 LYS A 149 4.525 0.822 7.678 1.00 3.70 H new ATOM 0 HZ2 LYS A 149 4.982 0.662 6.051 1.00 3.70 H new ATOM 0 HZ3 LYS A 149 6.143 1.063 7.224 1.00 3.70 H new ATOM 995 N ASN A 150 5.097 7.274 4.579 1.00 0.37 N ATOM 996 CA ASN A 150 5.908 8.365 5.215 1.00 0.41 C ATOM 997 C ASN A 150 5.278 9.729 4.931 1.00 0.39 C ATOM 998 O ASN A 150 5.239 10.592 5.788 1.00 0.46 O ATOM 999 CB ASN A 150 7.292 8.277 4.572 1.00 0.50 C ATOM 1000 CG ASN A 150 8.326 8.959 5.474 1.00 1.07 C ATOM 1001 OD1 ASN A 150 9.240 8.321 5.956 1.00 1.86 O ATOM 1002 ND2 ASN A 150 8.225 10.237 5.724 1.00 1.27 N ATOM 0 H ASN A 150 5.577 6.739 3.855 1.00 0.37 H new ATOM 0 HA ASN A 150 5.957 8.252 6.298 1.00 0.41 H new ATOM 0 HB2 ASN A 150 7.565 7.233 4.415 1.00 0.50 H new ATOM 0 HB3 ASN A 150 7.279 8.754 3.592 1.00 0.50 H new ATOM 0 HD21 ASN A 150 8.912 10.696 6.322 1.00 1.27 H new ATOM 0 HD22 ASN A 150 7.459 10.776 5.321 1.00 1.27 H new ATOM 1009 N ALA A 151 4.789 9.930 3.733 1.00 0.38 N ATOM 1010 CA ALA A 151 4.165 11.244 3.391 1.00 0.49 C ATOM 1011 C ALA A 151 2.855 11.428 4.161 1.00 0.53 C ATOM 1012 O ALA A 151 2.663 12.421 4.838 1.00 0.72 O ATOM 1013 CB ALA A 151 3.901 11.187 1.884 1.00 0.57 C ATOM 0 H ALA A 151 4.795 9.243 2.979 1.00 0.38 H new ATOM 0 HA ALA A 151 4.808 12.083 3.657 1.00 0.49 H new ATOM 0 HB1 ALA A 151 3.442 12.121 1.559 1.00 0.57 H new ATOM 0 HB2 ALA A 151 4.843 11.043 1.355 1.00 0.57 H new ATOM 0 HB3 ALA A 151 3.230 10.357 1.663 1.00 0.57 H new ATOM 1019 N GLU A 152 1.955 10.480 4.064 1.00 0.40 N ATOM 1020 CA GLU A 152 0.658 10.602 4.793 1.00 0.50 C ATOM 1021 C GLU A 152 0.854 10.352 6.289 1.00 0.60 C ATOM 1022 O GLU A 152 1.299 9.297 6.698 1.00 1.48 O ATOM 1023 CB GLU A 152 -0.254 9.539 4.177 1.00 0.44 C ATOM 1024 CG GLU A 152 -1.009 10.146 2.988 1.00 0.77 C ATOM 1025 CD GLU A 152 -0.161 10.059 1.708 1.00 1.10 C ATOM 1026 OE1 GLU A 152 1.002 9.696 1.799 1.00 1.81 O ATOM 1027 OE2 GLU A 152 -0.694 10.361 0.653 1.00 1.66 O ATOM 0 H GLU A 152 2.064 9.629 3.512 1.00 0.40 H new ATOM 0 HA GLU A 152 0.232 11.601 4.700 1.00 0.50 H new ATOM 0 HB2 GLU A 152 0.336 8.683 3.849 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.960 9.173 4.922 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -1.952 9.620 2.842 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -1.254 11.187 3.199 1.00 0.77 H new ATOM 1034 N LYS A 153 0.507 11.313 7.105 1.00 0.76 N ATOM 1035 CA LYS A 153 0.645 11.144 8.582 1.00 0.67 C ATOM 1036 C LYS A 153 -0.645 10.525 9.127 1.00 0.64 C ATOM 1037 O LYS A 153 -0.689 9.357 9.462 1.00 0.57 O ATOM 1038 CB LYS A 153 0.858 12.560 9.122 1.00 0.86 C ATOM 1039 CG LYS A 153 2.242 13.057 8.693 1.00 1.17 C ATOM 1040 CD LYS A 153 2.473 14.474 9.225 1.00 1.57 C ATOM 1041 CE LYS A 153 3.858 14.963 8.791 1.00 2.22 C ATOM 1042 NZ LYS A 153 3.607 15.814 7.594 1.00 2.51 N ATOM 0 H LYS A 153 0.131 12.214 6.809 1.00 0.76 H new ATOM 0 HA LYS A 153 1.467 10.489 8.872 1.00 0.67 H new ATOM 0 HB2 LYS A 153 0.084 13.228 8.742 1.00 0.86 H new ATOM 0 HB3 LYS A 153 0.777 12.564 10.209 1.00 0.86 H new ATOM 0 HG2 LYS A 153 3.013 12.386 9.072 1.00 1.17 H new ATOM 0 HG3 LYS A 153 2.320 13.050 7.606 1.00 1.17 H new ATOM 0 HD2 LYS A 153 1.703 15.146 8.846 1.00 1.57 H new ATOM 0 HD3 LYS A 153 2.397 14.483 10.312 1.00 1.57 H new ATOM 0 HE2 LYS A 153 4.343 15.531 9.585 1.00 2.22 H new ATOM 0 HE3 LYS A 153 4.515 14.127 8.551 1.00 2.22 H new ATOM 0 HZ1 LYS A 153 4.510 16.187 7.238 1.00 2.51 H new ATOM 0 HZ2 LYS A 153 3.151 15.245 6.853 1.00 2.51 H new ATOM 0 HZ3 LYS A 153 2.985 16.605 7.855 1.00 2.51 H new ATOM 1056 N LYS A 154 -1.703 11.292 9.182 1.00 0.73 N ATOM 1057 CA LYS A 154 -3.009 10.742 9.657 1.00 0.77 C ATOM 1058 C LYS A 154 -3.510 9.712 8.640 1.00 0.62 C ATOM 1059 O LYS A 154 -4.120 8.714 8.985 1.00 0.60 O ATOM 1060 CB LYS A 154 -3.961 11.939 9.721 1.00 0.95 C ATOM 1061 CG LYS A 154 -3.557 12.871 10.865 1.00 1.29 C ATOM 1062 CD LYS A 154 -3.894 12.209 12.204 1.00 1.34 C ATOM 1063 CE LYS A 154 -3.989 13.277 13.300 1.00 2.02 C ATOM 1064 NZ LYS A 154 -5.285 13.009 13.988 1.00 2.51 N ATOM 0 H LYS A 154 -1.719 12.277 8.918 1.00 0.73 H new ATOM 0 HA LYS A 154 -2.931 10.250 10.626 1.00 0.77 H new ATOM 0 HB2 LYS A 154 -3.940 12.481 8.775 1.00 0.95 H new ATOM 0 HB3 LYS A 154 -4.984 11.593 9.868 1.00 0.95 H new ATOM 0 HG2 LYS A 154 -2.490 13.088 10.812 1.00 1.29 H new ATOM 0 HG3 LYS A 154 -4.081 13.823 10.775 1.00 1.29 H new ATOM 0 HD2 LYS A 154 -4.838 11.669 12.126 1.00 1.34 H new ATOM 0 HD3 LYS A 154 -3.128 11.477 12.462 1.00 1.34 H new ATOM 0 HE2 LYS A 154 -3.152 13.206 13.994 1.00 2.02 H new ATOM 0 HE3 LYS A 154 -3.967 14.281 12.876 1.00 2.02 H new ATOM 0 HZ1 LYS A 154 -5.422 13.701 14.753 1.00 2.51 H new ATOM 0 HZ2 LYS A 154 -6.064 13.090 13.304 1.00 2.51 H new ATOM 0 HZ3 LYS A 154 -5.274 12.049 14.388 1.00 2.51 H new ATOM 1078 N ASN A 155 -3.238 9.953 7.382 1.00 0.57 N ATOM 1079 CA ASN A 155 -3.684 9.008 6.315 1.00 0.47 C ATOM 1080 C ASN A 155 -2.815 7.746 6.316 1.00 0.37 C ATOM 1081 O ASN A 155 -3.104 6.797 5.610 1.00 0.34 O ATOM 1082 CB ASN A 155 -3.497 9.764 4.997 1.00 0.51 C ATOM 1083 CG ASN A 155 -4.762 10.557 4.664 1.00 0.76 C ATOM 1084 OD1 ASN A 155 -5.240 10.516 3.547 1.00 1.37 O ATOM 1085 ND2 ASN A 155 -5.327 11.285 5.587 1.00 1.03 N ATOM 0 H ASN A 155 -2.724 10.768 7.047 1.00 0.57 H new ATOM 0 HA ASN A 155 -4.716 8.692 6.467 1.00 0.47 H new ATOM 0 HB2 ASN A 155 -2.644 10.439 5.073 1.00 0.51 H new ATOM 0 HB3 ASN A 155 -3.276 9.061 4.193 1.00 0.51 H new ATOM 0 HD21 ASN A 155 -6.169 11.819 5.371 1.00 1.03 H new ATOM 0 HD22 ASN A 155 -4.927 11.320 6.525 1.00 1.03 H new ATOM 1092 N ALA A 156 -1.769 7.710 7.114 1.00 0.37 N ATOM 1093 CA ALA A 156 -0.919 6.486 7.153 1.00 0.33 C ATOM 1094 C ALA A 156 -1.700 5.342 7.808 1.00 0.28 C ATOM 1095 O ALA A 156 -1.292 4.201 7.739 1.00 0.28 O ATOM 1096 CB ALA A 156 0.298 6.843 8.013 1.00 0.41 C ATOM 0 H ALA A 156 -1.475 8.468 7.730 1.00 0.37 H new ATOM 0 HA ALA A 156 -0.622 6.167 6.154 1.00 0.33 H new ATOM 0 HB1 ALA A 156 0.962 5.981 8.079 1.00 0.41 H new ATOM 0 HB2 ALA A 156 0.832 7.678 7.559 1.00 0.41 H new ATOM 0 HB3 ALA A 156 -0.033 7.124 9.013 1.00 0.41 H new ATOM 1102 N SER A 157 -2.823 5.634 8.438 1.00 0.28 N ATOM 1103 CA SER A 157 -3.609 4.549 9.087 1.00 0.28 C ATOM 1104 C SER A 157 -4.550 3.909 8.075 1.00 0.22 C ATOM 1105 O SER A 157 -4.745 4.410 6.978 1.00 0.21 O ATOM 1106 CB SER A 157 -4.405 5.232 10.196 1.00 0.34 C ATOM 1107 OG SER A 157 -4.928 6.462 9.713 1.00 1.05 O ATOM 0 H SER A 157 -3.218 6.571 8.525 1.00 0.28 H new ATOM 0 HA SER A 157 -2.969 3.758 9.478 1.00 0.28 H new ATOM 0 HB2 SER A 157 -5.217 4.584 10.528 1.00 0.34 H new ATOM 0 HB3 SER A 157 -3.766 5.410 11.061 1.00 0.34 H new ATOM 0 HG SER A 157 -4.253 7.166 9.812 1.00 1.05 H new ATOM 1113 N VAL A 158 -5.114 2.791 8.433 1.00 0.23 N ATOM 1114 CA VAL A 158 -6.027 2.086 7.494 1.00 0.22 C ATOM 1115 C VAL A 158 -7.226 2.961 7.122 1.00 0.18 C ATOM 1116 O VAL A 158 -7.560 3.071 5.962 1.00 0.18 O ATOM 1117 CB VAL A 158 -6.476 0.816 8.213 1.00 0.28 C ATOM 1118 CG1 VAL A 158 -5.255 -0.053 8.522 1.00 0.34 C ATOM 1119 CG2 VAL A 158 -7.195 1.158 9.522 1.00 0.27 C ATOM 0 H VAL A 158 -4.982 2.335 9.336 1.00 0.23 H new ATOM 0 HA VAL A 158 -5.521 1.853 6.557 1.00 0.22 H new ATOM 0 HB VAL A 158 -7.166 0.276 7.564 1.00 0.28 H new ATOM 0 HG11 VAL A 158 -5.574 -0.960 9.035 1.00 0.34 H new ATOM 0 HG12 VAL A 158 -4.754 -0.320 7.592 1.00 0.34 H new ATOM 0 HG13 VAL A 158 -4.566 0.501 9.159 1.00 0.34 H new ATOM 0 HG21 VAL A 158 -7.506 0.238 10.017 1.00 0.27 H new ATOM 0 HG22 VAL A 158 -6.519 1.711 10.175 1.00 0.27 H new ATOM 0 HG23 VAL A 158 -8.072 1.769 9.307 1.00 0.27 H new ATOM 1129 N ALA A 159 -7.869 3.594 8.084 1.00 0.15 N ATOM 1130 CA ALA A 159 -9.052 4.469 7.770 1.00 0.13 C ATOM 1131 C ALA A 159 -8.720 5.424 6.631 1.00 0.13 C ATOM 1132 O ALA A 159 -9.563 5.749 5.812 1.00 0.15 O ATOM 1133 CB ALA A 159 -9.343 5.243 9.057 1.00 0.12 C ATOM 0 H ALA A 159 -7.625 3.542 9.073 1.00 0.15 H new ATOM 0 HA ALA A 159 -9.915 3.885 7.450 1.00 0.13 H new ATOM 0 HB1 ALA A 159 -10.196 5.903 8.900 1.00 0.12 H new ATOM 0 HB2 ALA A 159 -9.570 4.542 9.860 1.00 0.12 H new ATOM 0 HB3 ALA A 159 -8.471 5.837 9.329 1.00 0.12 H new ATOM 1139 N GLY A 160 -7.488 5.843 6.556 1.00 0.13 N ATOM 1140 CA GLY A 160 -7.087 6.747 5.448 1.00 0.15 C ATOM 1141 C GLY A 160 -7.113 5.961 4.146 1.00 0.16 C ATOM 1142 O GLY A 160 -7.892 6.245 3.251 1.00 0.18 O ATOM 0 H GLY A 160 -6.746 5.599 7.212 1.00 0.13 H new ATOM 0 HA2 GLY A 160 -7.766 7.598 5.390 1.00 0.15 H new ATOM 0 HA3 GLY A 160 -6.089 7.147 5.628 1.00 0.15 H new ATOM 1146 N LEU A 161 -6.258 4.976 4.029 1.00 0.16 N ATOM 1147 CA LEU A 161 -6.223 4.177 2.778 1.00 0.18 C ATOM 1148 C LEU A 161 -7.564 3.493 2.508 1.00 0.20 C ATOM 1149 O LEU A 161 -8.090 3.627 1.438 1.00 0.28 O ATOM 1150 CB LEU A 161 -5.145 3.115 2.990 1.00 0.19 C ATOM 1151 CG LEU A 161 -5.013 2.259 1.719 1.00 0.22 C ATOM 1152 CD1 LEU A 161 -4.270 3.053 0.635 1.00 0.23 C ATOM 1153 CD2 LEU A 161 -4.252 0.963 2.043 1.00 0.27 C ATOM 0 H LEU A 161 -5.588 4.696 4.745 1.00 0.16 H new ATOM 0 HA LEU A 161 -6.016 4.819 1.922 1.00 0.18 H new ATOM 0 HB2 LEU A 161 -4.192 3.590 3.222 1.00 0.19 H new ATOM 0 HB3 LEU A 161 -5.403 2.485 3.841 1.00 0.19 H new ATOM 0 HG LEU A 161 -6.006 2.002 1.351 1.00 0.22 H new ATOM 0 HD11 LEU A 161 -4.178 2.443 -0.264 1.00 0.23 H new ATOM 0 HD12 LEU A 161 -4.827 3.961 0.403 1.00 0.23 H new ATOM 0 HD13 LEU A 161 -3.276 3.319 0.996 1.00 0.23 H new ATOM 0 HD21 LEU A 161 -4.161 0.359 1.140 1.00 0.27 H new ATOM 0 HD22 LEU A 161 -3.258 1.209 2.418 1.00 0.27 H new ATOM 0 HD23 LEU A 161 -4.797 0.401 2.802 1.00 0.27 H new ATOM 1165 N VAL A 162 -8.114 2.741 3.446 1.00 0.22 N ATOM 1166 CA VAL A 162 -9.403 2.021 3.153 1.00 0.26 C ATOM 1167 C VAL A 162 -10.458 2.986 2.624 1.00 0.29 C ATOM 1168 O VAL A 162 -11.227 2.653 1.741 1.00 0.34 O ATOM 1169 CB VAL A 162 -9.862 1.377 4.467 1.00 0.30 C ATOM 1170 CG1 VAL A 162 -8.767 0.458 5.008 1.00 0.30 C ATOM 1171 CG2 VAL A 162 -10.201 2.441 5.517 1.00 0.31 C ATOM 0 H VAL A 162 -7.734 2.598 4.382 1.00 0.22 H new ATOM 0 HA VAL A 162 -9.255 1.265 2.382 1.00 0.26 H new ATOM 0 HB VAL A 162 -10.761 0.797 4.261 1.00 0.30 H new ATOM 0 HG11 VAL A 162 -9.101 0.005 5.941 1.00 0.30 H new ATOM 0 HG12 VAL A 162 -8.556 -0.325 4.279 1.00 0.30 H new ATOM 0 HG13 VAL A 162 -7.862 1.038 5.190 1.00 0.30 H new ATOM 0 HG21 VAL A 162 -10.523 1.954 6.437 1.00 0.31 H new ATOM 0 HG22 VAL A 162 -9.318 3.048 5.718 1.00 0.31 H new ATOM 0 HG23 VAL A 162 -11.003 3.078 5.144 1.00 0.31 H new ATOM 1181 N LYS A 163 -10.477 4.181 3.135 1.00 0.29 N ATOM 1182 CA LYS A 163 -11.462 5.183 2.634 1.00 0.34 C ATOM 1183 C LYS A 163 -11.247 5.420 1.131 1.00 0.36 C ATOM 1184 O LYS A 163 -12.124 5.184 0.325 1.00 0.39 O ATOM 1185 CB LYS A 163 -11.169 6.459 3.429 1.00 0.33 C ATOM 1186 CG LYS A 163 -12.128 7.573 2.999 1.00 0.39 C ATOM 1187 CD LYS A 163 -11.869 8.825 3.841 1.00 1.30 C ATOM 1188 CE LYS A 163 -10.465 9.361 3.547 1.00 1.51 C ATOM 1189 NZ LYS A 163 -10.527 10.809 3.885 1.00 2.30 N ATOM 0 H LYS A 163 -9.857 4.510 3.875 1.00 0.29 H new ATOM 0 HA LYS A 163 -12.493 4.855 2.762 1.00 0.34 H new ATOM 0 HB2 LYS A 163 -11.277 6.266 4.496 1.00 0.33 H new ATOM 0 HB3 LYS A 163 -10.138 6.771 3.265 1.00 0.33 H new ATOM 0 HG2 LYS A 163 -11.989 7.798 1.942 1.00 0.39 H new ATOM 0 HG3 LYS A 163 -13.160 7.246 3.123 1.00 0.39 H new ATOM 0 HD2 LYS A 163 -12.615 9.587 3.616 1.00 1.30 H new ATOM 0 HD3 LYS A 163 -11.964 8.589 4.901 1.00 1.30 H new ATOM 0 HE2 LYS A 163 -9.713 8.848 4.146 1.00 1.51 H new ATOM 0 HE3 LYS A 163 -10.196 9.211 2.501 1.00 1.51 H new ATOM 0 HZ1 LYS A 163 -9.600 11.246 3.709 1.00 2.30 H new ATOM 0 HZ2 LYS A 163 -11.246 11.273 3.294 1.00 2.30 H new ATOM 0 HZ3 LYS A 163 -10.778 10.921 4.888 1.00 2.30 H new ATOM 1203 N ALA A 164 -10.075 5.863 0.755 1.00 0.36 N ATOM 1204 CA ALA A 164 -9.787 6.105 -0.700 1.00 0.39 C ATOM 1205 C ALA A 164 -9.721 4.778 -1.468 1.00 0.39 C ATOM 1206 O ALA A 164 -10.213 4.641 -2.571 1.00 0.33 O ATOM 1207 CB ALA A 164 -8.421 6.796 -0.718 1.00 0.44 C ATOM 0 H ALA A 164 -9.302 6.069 1.388 1.00 0.36 H new ATOM 0 HA ALA A 164 -10.563 6.704 -1.176 1.00 0.39 H new ATOM 0 HB1 ALA A 164 -8.135 7.009 -1.748 1.00 0.44 H new ATOM 0 HB2 ALA A 164 -8.478 7.729 -0.157 1.00 0.44 H new ATOM 0 HB3 ALA A 164 -7.677 6.143 -0.262 1.00 0.44 H new ATOM 1213 N LEU A 165 -9.069 3.827 -0.877 1.00 0.50 N ATOM 1214 CA LEU A 165 -8.865 2.478 -1.500 1.00 0.55 C ATOM 1215 C LEU A 165 -10.170 1.812 -1.956 1.00 0.45 C ATOM 1216 O LEU A 165 -10.342 1.492 -3.117 1.00 0.42 O ATOM 1217 CB LEU A 165 -8.263 1.681 -0.339 1.00 0.80 C ATOM 1218 CG LEU A 165 -7.964 0.252 -0.735 1.00 0.52 C ATOM 1219 CD1 LEU A 165 -6.715 0.256 -1.615 1.00 1.47 C ATOM 1220 CD2 LEU A 165 -7.715 -0.585 0.530 1.00 1.24 C ATOM 0 H LEU A 165 -8.649 3.924 0.048 1.00 0.50 H new ATOM 0 HA LEU A 165 -8.255 2.535 -2.401 1.00 0.55 H new ATOM 0 HB2 LEU A 165 -7.346 2.165 -0.003 1.00 0.80 H new ATOM 0 HB3 LEU A 165 -8.954 1.688 0.504 1.00 0.80 H new ATOM 0 HG LEU A 165 -8.803 -0.180 -1.281 1.00 0.52 H new ATOM 0 HD11 LEU A 165 -6.478 -0.765 -1.915 1.00 1.47 H new ATOM 0 HD12 LEU A 165 -6.897 0.862 -2.503 1.00 1.47 H new ATOM 0 HD13 LEU A 165 -5.878 0.674 -1.056 1.00 1.47 H new ATOM 0 HD21 LEU A 165 -7.499 -1.615 0.248 1.00 1.24 H new ATOM 0 HD22 LEU A 165 -6.867 -0.174 1.077 1.00 1.24 H new ATOM 0 HD23 LEU A 165 -8.602 -0.560 1.163 1.00 1.24 H new ATOM 1232 N ARG A 166 -11.061 1.566 -1.040 1.00 0.47 N ATOM 1233 CA ARG A 166 -12.342 0.874 -1.387 1.00 0.45 C ATOM 1234 C ARG A 166 -13.241 1.767 -2.231 1.00 0.41 C ATOM 1235 O ARG A 166 -13.896 1.310 -3.150 1.00 0.52 O ATOM 1236 CB ARG A 166 -12.993 0.564 -0.037 1.00 0.52 C ATOM 1237 CG ARG A 166 -14.214 -0.335 -0.231 1.00 1.19 C ATOM 1238 CD ARG A 166 -14.838 -0.624 1.136 1.00 1.53 C ATOM 1239 NE ARG A 166 -15.862 -1.675 0.887 1.00 2.29 N ATOM 1240 CZ ARG A 166 -17.025 -1.601 1.474 1.00 2.88 C ATOM 1241 NH1 ARG A 166 -17.901 -0.718 1.080 1.00 3.25 N ATOM 1242 NH2 ARG A 166 -17.311 -2.410 2.458 1.00 3.60 N ATOM 0 H ARG A 166 -10.961 1.815 -0.056 1.00 0.47 H new ATOM 0 HA ARG A 166 -12.172 -0.024 -1.981 1.00 0.45 H new ATOM 0 HB2 ARG A 166 -12.273 0.074 0.618 1.00 0.52 H new ATOM 0 HB3 ARG A 166 -13.290 1.491 0.453 1.00 0.52 H new ATOM 0 HG2 ARG A 166 -14.941 0.151 -0.882 1.00 1.19 H new ATOM 0 HG3 ARG A 166 -13.923 -1.266 -0.717 1.00 1.19 H new ATOM 0 HD2 ARG A 166 -14.086 -0.968 1.847 1.00 1.53 H new ATOM 0 HD3 ARG A 166 -15.290 0.273 1.559 1.00 1.53 H new ATOM 0 HE ARG A 166 -15.655 -2.452 0.259 1.00 2.29 H new ATOM 0 HH11 ARG A 166 -17.677 -0.085 0.312 1.00 3.25 H new ATOM 0 HH12 ARG A 166 -18.810 -0.661 1.540 1.00 3.25 H new ATOM 0 HH21 ARG A 166 -16.626 -3.099 2.767 1.00 3.60 H new ATOM 0 HH22 ARG A 166 -18.220 -2.353 2.917 1.00 3.60 H new ATOM 1256 N THR A 167 -13.287 3.028 -1.920 1.00 0.33 N ATOM 1257 CA THR A 167 -14.163 3.958 -2.699 1.00 0.36 C ATOM 1258 C THR A 167 -13.759 3.981 -4.173 1.00 0.35 C ATOM 1259 O THR A 167 -14.601 4.037 -5.050 1.00 0.41 O ATOM 1260 CB THR A 167 -13.944 5.332 -2.066 1.00 0.42 C ATOM 1261 OG1 THR A 167 -14.318 5.280 -0.698 1.00 0.44 O ATOM 1262 CG2 THR A 167 -14.786 6.390 -2.785 1.00 0.47 C ATOM 0 H THR A 167 -12.759 3.461 -1.162 1.00 0.33 H new ATOM 0 HA THR A 167 -15.208 3.650 -2.668 1.00 0.36 H new ATOM 0 HB THR A 167 -12.891 5.601 -2.154 1.00 0.42 H new ATOM 0 HG1 THR A 167 -13.513 5.235 -0.140 1.00 0.44 H new ATOM 0 HG21 THR A 167 -14.619 7.363 -2.323 1.00 0.47 H new ATOM 0 HG22 THR A 167 -14.497 6.433 -3.835 1.00 0.47 H new ATOM 0 HG23 THR A 167 -15.841 6.128 -2.709 1.00 0.47 H new ATOM 1270 N CYS A 168 -12.484 3.962 -4.449 1.00 0.32 N ATOM 1271 CA CYS A 168 -12.033 4.013 -5.868 1.00 0.36 C ATOM 1272 C CYS A 168 -12.196 2.662 -6.568 1.00 0.31 C ATOM 1273 O CYS A 168 -12.779 2.590 -7.634 1.00 0.34 O ATOM 1274 CB CYS A 168 -10.553 4.398 -5.808 1.00 0.40 C ATOM 1275 SG CYS A 168 -9.953 4.733 -7.482 1.00 1.38 S ATOM 0 H CYS A 168 -11.737 3.914 -3.756 1.00 0.32 H new ATOM 0 HA CYS A 168 -12.629 4.725 -6.439 1.00 0.36 H new ATOM 0 HB2 CYS A 168 -10.420 5.278 -5.179 1.00 0.40 H new ATOM 0 HB3 CYS A 168 -9.974 3.592 -5.356 1.00 0.40 H new ATOM 0 HG CYS A 168 -8.696 5.062 -7.435 1.00 1.38 H new ATOM 1281 N ARG A 169 -11.683 1.585 -6.001 1.00 0.30 N ATOM 1282 CA ARG A 169 -11.820 0.239 -6.694 1.00 0.31 C ATOM 1283 C ARG A 169 -11.181 -0.916 -5.910 1.00 0.26 C ATOM 1284 O ARG A 169 -11.483 -2.070 -6.153 1.00 0.34 O ATOM 1285 CB ARG A 169 -11.096 0.385 -8.047 1.00 0.44 C ATOM 1286 CG ARG A 169 -11.892 -0.337 -9.137 1.00 0.69 C ATOM 1287 CD ARG A 169 -11.340 0.056 -10.511 1.00 0.84 C ATOM 1288 NE ARG A 169 -11.726 1.487 -10.689 1.00 1.56 N ATOM 1289 CZ ARG A 169 -11.327 2.145 -11.743 1.00 2.15 C ATOM 1290 NH1 ARG A 169 -10.056 2.209 -12.032 1.00 2.74 N ATOM 1291 NH2 ARG A 169 -12.200 2.744 -12.507 1.00 2.73 N ATOM 0 H ARG A 169 -11.186 1.571 -5.110 1.00 0.30 H new ATOM 0 HA ARG A 169 -12.877 -0.008 -6.790 1.00 0.31 H new ATOM 0 HB2 ARG A 169 -10.987 1.440 -8.300 1.00 0.44 H new ATOM 0 HB3 ARG A 169 -10.091 -0.032 -7.980 1.00 0.44 H new ATOM 0 HG2 ARG A 169 -11.823 -1.416 -9.000 1.00 0.69 H new ATOM 0 HG3 ARG A 169 -12.947 -0.074 -9.067 1.00 0.69 H new ATOM 0 HD2 ARG A 169 -10.258 -0.069 -10.552 1.00 0.84 H new ATOM 0 HD3 ARG A 169 -11.763 -0.567 -11.299 1.00 0.84 H new ATOM 0 HE ARG A 169 -12.302 1.951 -9.986 1.00 1.56 H new ATOM 0 HH11 ARG A 169 -9.373 1.744 -11.434 1.00 2.74 H new ATOM 0 HH12 ARG A 169 -9.746 2.724 -12.856 1.00 2.74 H new ATOM 0 HH21 ARG A 169 -13.193 2.698 -12.280 1.00 2.73 H new ATOM 0 HH22 ARG A 169 -11.889 3.258 -13.331 1.00 2.73 H new ATOM 1305 N LEU A 170 -10.269 -0.630 -5.026 1.00 0.20 N ATOM 1306 CA LEU A 170 -9.562 -1.722 -4.281 1.00 0.17 C ATOM 1307 C LEU A 170 -10.406 -2.277 -3.125 1.00 0.19 C ATOM 1308 O LEU A 170 -9.973 -2.326 -1.986 1.00 0.23 O ATOM 1309 CB LEU A 170 -8.310 -1.041 -3.749 1.00 0.18 C ATOM 1310 CG LEU A 170 -7.450 -0.540 -4.916 1.00 0.21 C ATOM 1311 CD1 LEU A 170 -7.621 0.976 -5.075 1.00 0.26 C ATOM 1312 CD2 LEU A 170 -5.981 -0.851 -4.626 1.00 0.25 C ATOM 0 H LEU A 170 -9.977 0.316 -4.782 1.00 0.20 H new ATOM 0 HA LEU A 170 -9.353 -2.580 -4.919 1.00 0.17 H new ATOM 0 HB2 LEU A 170 -8.586 -0.206 -3.105 1.00 0.18 H new ATOM 0 HB3 LEU A 170 -7.738 -1.739 -3.138 1.00 0.18 H new ATOM 0 HG LEU A 170 -7.763 -1.037 -5.834 1.00 0.21 H new ATOM 0 HD11 LEU A 170 -7.008 1.326 -5.905 1.00 0.26 H new ATOM 0 HD12 LEU A 170 -8.668 1.205 -5.275 1.00 0.26 H new ATOM 0 HD13 LEU A 170 -7.309 1.476 -4.158 1.00 0.26 H new ATOM 0 HD21 LEU A 170 -5.364 -0.497 -5.452 1.00 0.25 H new ATOM 0 HD22 LEU A 170 -5.678 -0.350 -3.706 1.00 0.25 H new ATOM 0 HD23 LEU A 170 -5.853 -1.927 -4.512 1.00 0.25 H new ATOM 1324 N ASN A 171 -11.601 -2.705 -3.422 1.00 0.24 N ATOM 1325 CA ASN A 171 -12.495 -3.275 -2.373 1.00 0.30 C ATOM 1326 C ASN A 171 -11.854 -4.517 -1.742 1.00 0.24 C ATOM 1327 O ASN A 171 -12.073 -4.821 -0.585 1.00 0.25 O ATOM 1328 CB ASN A 171 -13.769 -3.661 -3.126 1.00 0.40 C ATOM 1329 CG ASN A 171 -14.981 -3.465 -2.223 1.00 0.50 C ATOM 1330 OD1 ASN A 171 -15.461 -4.394 -1.604 1.00 0.58 O ATOM 1331 ND2 ASN A 171 -15.496 -2.272 -2.131 1.00 0.59 N ATOM 0 H ASN A 171 -12.002 -2.684 -4.359 1.00 0.24 H new ATOM 0 HA ASN A 171 -12.686 -2.572 -1.562 1.00 0.30 H new ATOM 0 HB2 ASN A 171 -13.871 -3.052 -4.024 1.00 0.40 H new ATOM 0 HB3 ASN A 171 -13.710 -4.700 -3.451 1.00 0.40 H new ATOM 0 HD21 ASN A 171 -16.309 -2.112 -1.536 1.00 0.59 H new ATOM 0 HD22 ASN A 171 -15.087 -1.498 -2.654 1.00 0.59 H new ATOM 1338 N LEU A 172 -11.092 -5.255 -2.513 1.00 0.21 N ATOM 1339 CA LEU A 172 -10.459 -6.510 -1.984 1.00 0.21 C ATOM 1340 C LEU A 172 -9.645 -6.242 -0.719 1.00 0.17 C ATOM 1341 O LEU A 172 -9.960 -6.728 0.351 1.00 0.21 O ATOM 1342 CB LEU A 172 -9.504 -6.963 -3.091 1.00 0.23 C ATOM 1343 CG LEU A 172 -10.302 -7.428 -4.309 1.00 0.32 C ATOM 1344 CD1 LEU A 172 -9.362 -7.555 -5.509 1.00 1.13 C ATOM 1345 CD2 LEU A 172 -10.933 -8.791 -4.017 1.00 0.85 C ATOM 0 H LEU A 172 -10.879 -5.044 -3.488 1.00 0.21 H new ATOM 0 HA LEU A 172 -11.219 -7.249 -1.728 1.00 0.21 H new ATOM 0 HB2 LEU A 172 -8.842 -6.143 -3.370 1.00 0.23 H new ATOM 0 HB3 LEU A 172 -8.872 -7.774 -2.729 1.00 0.23 H new ATOM 0 HG LEU A 172 -11.086 -6.703 -4.529 1.00 0.32 H new ATOM 0 HD11 LEU A 172 -9.927 -7.887 -6.380 1.00 1.13 H new ATOM 0 HD12 LEU A 172 -8.907 -6.587 -5.719 1.00 1.13 H new ATOM 0 HD13 LEU A 172 -8.582 -8.282 -5.285 1.00 1.13 H new ATOM 0 HD21 LEU A 172 -11.502 -9.122 -4.886 1.00 0.85 H new ATOM 0 HD22 LEU A 172 -10.149 -9.516 -3.799 1.00 0.85 H new ATOM 0 HD23 LEU A 172 -11.599 -8.707 -3.158 1.00 0.85 H new ATOM 1357 N VAL A 173 -8.599 -5.477 -0.841 1.00 0.16 N ATOM 1358 CA VAL A 173 -7.742 -5.188 0.346 1.00 0.21 C ATOM 1359 C VAL A 173 -8.534 -4.454 1.422 1.00 0.22 C ATOM 1360 O VAL A 173 -8.305 -4.647 2.602 1.00 0.25 O ATOM 1361 CB VAL A 173 -6.565 -4.348 -0.161 1.00 0.29 C ATOM 1362 CG1 VAL A 173 -5.638 -5.246 -0.980 1.00 0.38 C ATOM 1363 CG2 VAL A 173 -7.042 -3.179 -1.037 1.00 0.34 C ATOM 0 H VAL A 173 -8.298 -5.038 -1.711 1.00 0.16 H new ATOM 0 HA VAL A 173 -7.384 -6.108 0.809 1.00 0.21 H new ATOM 0 HB VAL A 173 -6.041 -3.932 0.699 1.00 0.29 H new ATOM 0 HG11 VAL A 173 -4.795 -4.660 -1.347 1.00 0.38 H new ATOM 0 HG12 VAL A 173 -5.270 -6.058 -0.352 1.00 0.38 H new ATOM 0 HG13 VAL A 173 -6.187 -5.661 -1.825 1.00 0.38 H new ATOM 0 HG21 VAL A 173 -6.181 -2.605 -1.379 1.00 0.34 H new ATOM 0 HG22 VAL A 173 -7.584 -3.568 -1.899 1.00 0.34 H new ATOM 0 HG23 VAL A 173 -7.700 -2.534 -0.455 1.00 0.34 H new ATOM 1373 N ALA A 174 -9.480 -3.636 1.037 1.00 0.27 N ATOM 1374 CA ALA A 174 -10.303 -2.917 2.060 1.00 0.34 C ATOM 1375 C ALA A 174 -11.028 -3.945 2.940 1.00 0.29 C ATOM 1376 O ALA A 174 -11.106 -3.809 4.146 1.00 0.32 O ATOM 1377 CB ALA A 174 -11.309 -2.100 1.253 1.00 0.43 C ATOM 0 H ALA A 174 -9.718 -3.435 0.066 1.00 0.27 H new ATOM 0 HA ALA A 174 -9.705 -2.285 2.717 1.00 0.34 H new ATOM 0 HB1 ALA A 174 -11.953 -1.541 1.933 1.00 0.43 H new ATOM 0 HB2 ALA A 174 -10.776 -1.405 0.604 1.00 0.43 H new ATOM 0 HB3 ALA A 174 -11.918 -2.770 0.645 1.00 0.43 H new ATOM 1383 N ASP A 175 -11.556 -4.973 2.329 1.00 0.24 N ATOM 1384 CA ASP A 175 -12.273 -6.033 3.101 1.00 0.23 C ATOM 1385 C ASP A 175 -11.340 -6.725 4.100 1.00 0.17 C ATOM 1386 O ASP A 175 -11.736 -7.029 5.210 1.00 0.20 O ATOM 1387 CB ASP A 175 -12.760 -7.034 2.050 1.00 0.27 C ATOM 1388 CG ASP A 175 -13.879 -6.407 1.214 1.00 0.37 C ATOM 1389 OD1 ASP A 175 -14.605 -5.584 1.748 1.00 0.80 O ATOM 1390 OD2 ASP A 175 -13.988 -6.757 0.050 1.00 0.99 O ATOM 0 H ASP A 175 -11.521 -5.125 1.321 1.00 0.24 H new ATOM 0 HA ASP A 175 -13.091 -5.612 3.686 1.00 0.23 H new ATOM 0 HB2 ASP A 175 -11.933 -7.328 1.404 1.00 0.27 H new ATOM 0 HB3 ASP A 175 -13.122 -7.939 2.537 1.00 0.27 H new ATOM 1395 N LEU A 176 -10.115 -7.002 3.712 1.00 0.14 N ATOM 1396 CA LEU A 176 -9.182 -7.708 4.655 1.00 0.20 C ATOM 1397 C LEU A 176 -8.920 -6.845 5.886 1.00 0.25 C ATOM 1398 O LEU A 176 -9.123 -7.272 7.007 1.00 0.27 O ATOM 1399 CB LEU A 176 -7.866 -7.926 3.883 1.00 0.28 C ATOM 1400 CG LEU A 176 -7.949 -9.055 2.813 1.00 0.49 C ATOM 1401 CD1 LEU A 176 -9.367 -9.246 2.243 1.00 1.33 C ATOM 1402 CD2 LEU A 176 -6.987 -8.707 1.665 1.00 1.09 C ATOM 0 H LEU A 176 -9.724 -6.774 2.798 1.00 0.14 H new ATOM 0 HA LEU A 176 -9.609 -8.652 4.995 1.00 0.20 H new ATOM 0 HB2 LEU A 176 -7.583 -6.994 3.394 1.00 0.28 H new ATOM 0 HB3 LEU A 176 -7.074 -8.167 4.592 1.00 0.28 H new ATOM 0 HG LEU A 176 -7.675 -9.991 3.299 1.00 0.49 H new ATOM 0 HD11 LEU A 176 -9.357 -10.047 1.503 1.00 1.33 H new ATOM 0 HD12 LEU A 176 -10.052 -9.506 3.050 1.00 1.33 H new ATOM 0 HD13 LEU A 176 -9.697 -8.320 1.771 1.00 1.33 H new ATOM 0 HD21 LEU A 176 -7.031 -9.487 0.905 1.00 1.09 H new ATOM 0 HD22 LEU A 176 -7.277 -7.753 1.224 1.00 1.09 H new ATOM 0 HD23 LEU A 176 -5.970 -8.634 2.052 1.00 1.09 H new ATOM 1414 N VAL A 177 -8.475 -5.631 5.682 1.00 0.33 N ATOM 1415 CA VAL A 177 -8.204 -4.730 6.841 1.00 0.41 C ATOM 1416 C VAL A 177 -9.501 -4.499 7.617 1.00 0.37 C ATOM 1417 O VAL A 177 -9.517 -4.529 8.834 1.00 0.39 O ATOM 1418 CB VAL A 177 -7.670 -3.424 6.239 1.00 0.52 C ATOM 1419 CG1 VAL A 177 -6.372 -3.709 5.487 1.00 0.58 C ATOM 1420 CG2 VAL A 177 -8.689 -2.827 5.266 1.00 0.52 C ATOM 0 H VAL A 177 -8.288 -5.226 4.765 1.00 0.33 H new ATOM 0 HA VAL A 177 -7.483 -5.152 7.541 1.00 0.41 H new ATOM 0 HB VAL A 177 -7.490 -2.714 7.046 1.00 0.52 H new ATOM 0 HG11 VAL A 177 -5.989 -2.783 5.058 1.00 0.58 H new ATOM 0 HG12 VAL A 177 -5.635 -4.121 6.176 1.00 0.58 H new ATOM 0 HG13 VAL A 177 -6.564 -4.427 4.689 1.00 0.58 H new ATOM 0 HG21 VAL A 177 -8.294 -1.901 4.848 1.00 0.52 H new ATOM 0 HG22 VAL A 177 -8.881 -3.536 4.460 1.00 0.52 H new ATOM 0 HG23 VAL A 177 -9.619 -2.619 5.795 1.00 0.52 H new ATOM 1430 N GLU A 178 -10.595 -4.310 6.920 1.00 0.36 N ATOM 1431 CA GLU A 178 -11.904 -4.124 7.618 1.00 0.39 C ATOM 1432 C GLU A 178 -12.226 -5.377 8.443 1.00 0.31 C ATOM 1433 O GLU A 178 -12.522 -5.302 9.621 1.00 0.34 O ATOM 1434 CB GLU A 178 -12.920 -3.925 6.480 1.00 0.45 C ATOM 1435 CG GLU A 178 -14.357 -4.031 7.008 1.00 0.51 C ATOM 1436 CD GLU A 178 -15.362 -3.772 5.877 1.00 1.32 C ATOM 1437 OE1 GLU A 178 -14.957 -3.263 4.842 1.00 1.85 O ATOM 1438 OE2 GLU A 178 -16.527 -4.080 6.070 1.00 1.85 O ATOM 0 H GLU A 178 -10.638 -4.277 5.901 1.00 0.36 H new ATOM 0 HA GLU A 178 -11.909 -3.283 8.311 1.00 0.39 H new ATOM 0 HB2 GLU A 178 -12.769 -2.950 6.018 1.00 0.45 H new ATOM 0 HB3 GLU A 178 -12.756 -4.674 5.705 1.00 0.45 H new ATOM 0 HG2 GLU A 178 -14.524 -5.021 7.432 1.00 0.51 H new ATOM 0 HG3 GLU A 178 -14.510 -3.311 7.812 1.00 0.51 H new ATOM 1445 N GLU A 179 -12.153 -6.526 7.821 1.00 0.25 N ATOM 1446 CA GLU A 179 -12.447 -7.799 8.545 1.00 0.24 C ATOM 1447 C GLU A 179 -11.481 -7.970 9.716 1.00 0.25 C ATOM 1448 O GLU A 179 -11.866 -8.389 10.792 1.00 0.39 O ATOM 1449 CB GLU A 179 -12.252 -8.902 7.503 1.00 0.31 C ATOM 1450 CG GLU A 179 -13.480 -8.963 6.594 1.00 1.03 C ATOM 1451 CD GLU A 179 -14.693 -9.420 7.407 1.00 1.32 C ATOM 1452 OE1 GLU A 179 -14.641 -10.513 7.946 1.00 1.92 O ATOM 1453 OE2 GLU A 179 -15.652 -8.669 7.477 1.00 1.76 O ATOM 0 H GLU A 179 -11.901 -6.637 6.839 1.00 0.25 H new ATOM 0 HA GLU A 179 -13.453 -7.819 8.965 1.00 0.24 H new ATOM 0 HB2 GLU A 179 -11.357 -8.705 6.912 1.00 0.31 H new ATOM 0 HB3 GLU A 179 -12.103 -9.862 7.997 1.00 0.31 H new ATOM 0 HG2 GLU A 179 -13.670 -7.983 6.156 1.00 1.03 H new ATOM 0 HG3 GLU A 179 -13.301 -9.652 5.769 1.00 1.03 H new ATOM 1460 N ALA A 180 -10.236 -7.628 9.518 1.00 0.26 N ATOM 1461 CA ALA A 180 -9.245 -7.748 10.625 1.00 0.38 C ATOM 1462 C ALA A 180 -9.625 -6.786 11.755 1.00 0.44 C ATOM 1463 O ALA A 180 -9.490 -7.101 12.922 1.00 0.60 O ATOM 1464 CB ALA A 180 -7.899 -7.361 10.008 1.00 0.50 C ATOM 0 H ALA A 180 -9.863 -7.271 8.638 1.00 0.26 H new ATOM 0 HA ALA A 180 -9.210 -8.751 11.051 1.00 0.38 H new ATOM 0 HB1 ALA A 180 -7.119 -7.426 10.766 1.00 0.50 H new ATOM 0 HB2 ALA A 180 -7.666 -8.040 9.188 1.00 0.50 H new ATOM 0 HB3 ALA A 180 -7.952 -6.340 9.629 1.00 0.50 H new ATOM 1470 N GLN A 181 -10.109 -5.617 11.411 1.00 0.48 N ATOM 1471 CA GLN A 181 -10.515 -4.625 12.457 1.00 0.70 C ATOM 1472 C GLN A 181 -11.805 -5.058 13.162 1.00 0.71 C ATOM 1473 O GLN A 181 -12.101 -4.603 14.251 1.00 1.08 O ATOM 1474 CB GLN A 181 -10.721 -3.306 11.711 1.00 1.25 C ATOM 1475 CG GLN A 181 -9.366 -2.771 11.249 1.00 1.59 C ATOM 1476 CD GLN A 181 -9.577 -1.582 10.311 1.00 2.23 C ATOM 1477 OE1 GLN A 181 -10.535 -0.848 10.446 1.00 2.65 O ATOM 1478 NE2 GLN A 181 -8.714 -1.360 9.358 1.00 2.46 N ATOM 0 H GLN A 181 -10.241 -5.306 10.449 1.00 0.48 H new ATOM 0 HA GLN A 181 -9.758 -4.537 13.236 1.00 0.70 H new ATOM 0 HB2 GLN A 181 -11.376 -3.458 10.854 1.00 1.25 H new ATOM 0 HB3 GLN A 181 -11.210 -2.580 12.361 1.00 1.25 H new ATOM 0 HG2 GLN A 181 -8.771 -2.467 12.110 1.00 1.59 H new ATOM 0 HG3 GLN A 181 -8.809 -3.556 10.738 1.00 1.59 H new ATOM 0 HE21 GLN A 181 -7.909 -1.977 9.245 1.00 2.46 H new ATOM 0 HE22 GLN A 181 -8.844 -0.570 8.726 1.00 2.46 H new ATOM 1487 N GLU A 182 -12.580 -5.930 12.554 1.00 0.74 N ATOM 1488 CA GLU A 182 -13.859 -6.396 13.192 1.00 1.33 C ATOM 1489 C GLU A 182 -14.739 -5.199 13.581 1.00 2.14 C ATOM 1490 O GLU A 182 -15.357 -5.186 14.628 1.00 2.63 O ATOM 1491 CB GLU A 182 -13.427 -7.179 14.437 1.00 1.79 C ATOM 1492 CG GLU A 182 -12.688 -8.451 14.007 1.00 2.06 C ATOM 1493 CD GLU A 182 -12.161 -9.205 15.237 1.00 2.67 C ATOM 1494 OE1 GLU A 182 -12.210 -8.653 16.327 1.00 2.49 O ATOM 1495 OE2 GLU A 182 -11.712 -10.326 15.065 1.00 3.67 O ATOM 0 H GLU A 182 -12.382 -6.340 11.641 1.00 0.74 H new ATOM 0 HA GLU A 182 -14.452 -7.009 12.513 1.00 1.33 H new ATOM 0 HB2 GLU A 182 -12.780 -6.563 15.061 1.00 1.79 H new ATOM 0 HB3 GLU A 182 -14.299 -7.437 15.038 1.00 1.79 H new ATOM 0 HG2 GLU A 182 -13.359 -9.094 13.438 1.00 2.06 H new ATOM 0 HG3 GLU A 182 -11.859 -8.193 13.348 1.00 2.06 H new ATOM 1502 N SER A 183 -14.795 -4.191 12.740 1.00 2.57 N ATOM 1503 CA SER A 183 -15.629 -2.979 13.042 1.00 3.70 C ATOM 1504 C SER A 183 -15.266 -2.398 14.414 1.00 4.04 C ATOM 1505 O SER A 183 -14.327 -2.894 15.015 1.00 4.36 O ATOM 1506 CB SER A 183 -17.081 -3.465 13.034 1.00 4.22 C ATOM 1507 OG SER A 183 -17.599 -3.376 11.713 1.00 4.75 O ATOM 1508 OXT SER A 183 -15.932 -1.468 14.836 1.00 4.26 O ATOM 0 H SER A 183 -14.296 -4.155 11.851 1.00 2.57 H new ATOM 0 HA SER A 183 -15.463 -2.188 12.311 1.00 3.70 H new ATOM 0 HB2 SER A 183 -17.134 -4.494 13.389 1.00 4.22 H new ATOM 0 HB3 SER A 183 -17.682 -2.862 13.714 1.00 4.22 H new ATOM 0 HG SER A 183 -18.528 -3.688 11.704 1.00 4.75 H new TER 1514 SER A 183