USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 837 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0055 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.22) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -1.23 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0.0726 (180deg=0.0486) USER MOD Single : A 43 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.011) USER MOD Single : A 44 SER OG : rot 98:sc= 0.872 USER MOD Single : A 46 SER OG : rot 93:sc= 0.15 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.25) USER MOD Single : A 63 GLN : amide:sc=-0.00824 X(o=-0.0082,f=-0.28) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -141:sc= -0.223 (180deg=-0.686) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.822 USER MOD Single : A 76 THR OG1 : rot 99:sc= 0.543 USER MOD Single : A 78 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.4!) USER MOD Single : A 81 LYS NZ :NH3+ 148:sc= 0.0311 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -2.06! (180deg=-3.67!) USER MOD Single : A 84 GLN : amide:sc= -3.7! K(o=-3.7!,f=-0.6) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.5! K(o=-3.5!,f=-1.7) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 81:sc= 0.232 USER MOD Single : A 102 ASN : amide:sc= -0.709 K(o=-0.71,f=-2.7!) USER MOD Single : B 63 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.259) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.546 -2.441 8.789 1.00 0.20 N ATOM 37 CA LYS A 3 -1.582 -3.525 9.144 1.00 0.18 C ATOM 38 C LYS A 3 -0.207 -3.120 8.615 1.00 0.15 C ATOM 39 O LYS A 3 -0.046 -2.830 7.446 1.00 0.16 O ATOM 40 CB LYS A 3 -2.028 -4.826 8.461 1.00 0.19 C ATOM 41 CG LYS A 3 -1.141 -6.004 8.906 1.00 0.20 C ATOM 42 CD LYS A 3 -1.630 -6.556 10.248 1.00 0.81 C ATOM 43 CE LYS A 3 -0.892 -7.854 10.564 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.366 -8.378 11.874 1.00 1.67 N ATOM 0 HA LYS A 3 -1.544 -3.676 10.223 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.069 -5.034 8.708 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.974 -4.712 7.378 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.162 -6.790 8.151 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.105 -5.676 8.995 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.457 -5.825 11.038 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.704 -6.736 10.209 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -1.070 -8.589 9.779 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.183 -7.677 10.597 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.867 -9.263 12.095 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -1.174 -7.677 12.618 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -2.389 -8.561 11.825 1.00 1.67 H new ATOM 58 N GLN A 4 0.783 -3.094 9.466 1.00 0.15 N ATOM 59 CA GLN A 4 2.150 -2.701 9.018 1.00 0.14 C ATOM 60 C GLN A 4 2.955 -3.966 8.721 1.00 0.12 C ATOM 61 O GLN A 4 3.123 -4.818 9.572 1.00 0.13 O ATOM 62 CB GLN A 4 2.823 -1.897 10.139 1.00 0.16 C ATOM 63 CG GLN A 4 4.225 -1.469 9.702 1.00 0.17 C ATOM 64 CD GLN A 4 4.878 -0.635 10.805 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.548 -0.772 11.966 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.799 0.234 10.483 1.00 0.31 N ATOM 0 H GLN A 4 0.704 -3.329 10.455 1.00 0.15 H new ATOM 0 HA GLN A 4 2.098 -2.090 8.117 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.223 -1.019 10.379 1.00 0.16 H new ATOM 0 HB3 GLN A 4 2.883 -2.500 11.045 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.834 -2.348 9.489 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.168 -0.890 8.781 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.075 0.347 9.507 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.243 0.799 11.207 1.00 0.31 H new ATOM 75 N ILE A 5 3.458 -4.096 7.519 1.00 0.10 N ATOM 76 CA ILE A 5 4.252 -5.308 7.161 1.00 0.10 C ATOM 77 C ILE A 5 5.734 -4.950 7.219 1.00 0.10 C ATOM 78 O ILE A 5 6.221 -4.179 6.416 1.00 0.11 O ATOM 79 CB ILE A 5 3.900 -5.721 5.735 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.375 -5.797 5.579 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.512 -7.085 5.437 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.769 -6.678 6.675 1.00 0.19 C ATOM 0 H ILE A 5 3.352 -3.413 6.769 1.00 0.10 H new ATOM 0 HA ILE A 5 4.033 -6.123 7.851 1.00 0.10 H new ATOM 0 HB ILE A 5 4.296 -4.983 5.037 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.948 -4.796 5.631 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.123 -6.201 4.598 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.261 -7.382 4.418 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.595 -7.029 5.542 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.117 -7.822 6.137 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.687 -6.721 6.550 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.183 -7.684 6.604 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.005 -6.257 7.652 1.00 0.19 H new ATOM 94 N GLU A 6 6.459 -5.494 8.157 1.00 0.11 N ATOM 95 CA GLU A 6 7.906 -5.169 8.257 1.00 0.13 C ATOM 96 C GLU A 6 8.730 -6.237 7.532 1.00 0.12 C ATOM 97 O GLU A 6 9.942 -6.161 7.480 1.00 0.13 O ATOM 98 CB GLU A 6 8.309 -5.135 9.732 1.00 0.15 C ATOM 99 CG GLU A 6 7.488 -4.062 10.466 1.00 0.17 C ATOM 100 CD GLU A 6 6.122 -4.627 10.874 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.846 -5.768 10.543 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.375 -3.904 11.516 1.00 2.25 O ATOM 0 H GLU A 6 6.111 -6.149 8.857 1.00 0.11 H new ATOM 0 HA GLU A 6 8.093 -4.199 7.797 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.141 -6.111 10.188 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.373 -4.919 9.824 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.028 -3.722 11.350 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.353 -3.193 9.822 1.00 0.17 H new ATOM 109 N SER A 7 8.096 -7.233 6.966 1.00 0.12 N ATOM 110 CA SER A 7 8.881 -8.292 6.252 1.00 0.13 C ATOM 111 C SER A 7 8.043 -8.999 5.190 1.00 0.12 C ATOM 112 O SER A 7 6.830 -9.056 5.264 1.00 0.12 O ATOM 113 CB SER A 7 9.363 -9.331 7.262 1.00 0.15 C ATOM 114 OG SER A 7 8.238 -9.922 7.900 1.00 0.15 O ATOM 0 H SER A 7 7.084 -7.360 6.965 1.00 0.12 H new ATOM 0 HA SER A 7 9.723 -7.806 5.760 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.955 -10.096 6.760 1.00 0.15 H new ATOM 0 HB3 SER A 7 10.011 -8.862 8.003 1.00 0.15 H new ATOM 0 HG SER A 7 8.543 -10.591 8.548 1.00 0.15 H new ATOM 120 N LYS A 8 8.702 -9.569 4.213 1.00 0.14 N ATOM 121 CA LYS A 8 7.983 -10.314 3.143 1.00 0.15 C ATOM 122 C LYS A 8 7.248 -11.481 3.787 1.00 0.15 C ATOM 123 O LYS A 8 6.198 -11.896 3.341 1.00 0.16 O ATOM 124 CB LYS A 8 8.990 -10.847 2.124 1.00 0.18 C ATOM 125 CG LYS A 8 8.239 -11.363 0.895 1.00 0.21 C ATOM 126 CD LYS A 8 9.221 -11.971 -0.119 1.00 0.43 C ATOM 127 CE LYS A 8 9.987 -13.146 0.505 1.00 0.80 C ATOM 128 NZ LYS A 8 10.403 -14.092 -0.569 1.00 1.65 N ATOM 0 H LYS A 8 9.717 -9.548 4.113 1.00 0.14 H new ATOM 0 HA LYS A 8 7.278 -9.656 2.635 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.685 -10.058 1.835 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.582 -11.648 2.566 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.508 -12.113 1.197 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.686 -10.547 0.430 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.677 -12.312 -1.000 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.924 -11.209 -0.454 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.862 -12.780 1.041 1.00 0.80 H new ATOM 0 HE3 LYS A 8 9.358 -13.659 1.233 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.922 -14.889 -0.148 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 9.560 -14.450 -1.062 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 11.017 -13.598 -1.248 1.00 1.65 H new ATOM 142 N THR A 9 7.801 -12.015 4.840 1.00 0.15 N ATOM 143 CA THR A 9 7.142 -13.162 5.508 1.00 0.17 C ATOM 144 C THR A 9 5.744 -12.740 5.944 1.00 0.16 C ATOM 145 O THR A 9 4.766 -13.407 5.670 1.00 0.17 O ATOM 146 CB THR A 9 7.958 -13.565 6.734 1.00 0.19 C ATOM 147 OG1 THR A 9 9.292 -13.847 6.334 1.00 0.22 O ATOM 148 CG2 THR A 9 7.341 -14.811 7.369 1.00 0.23 C ATOM 0 H THR A 9 8.677 -11.706 5.262 1.00 0.15 H new ATOM 0 HA THR A 9 7.076 -14.007 4.823 1.00 0.17 H new ATOM 0 HB THR A 9 7.957 -12.752 7.460 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.821 -14.105 7.118 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.923 -15.099 8.244 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.316 -14.596 7.670 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.344 -15.627 6.646 1.00 0.23 H new ATOM 156 N ALA A 10 5.643 -11.629 6.610 1.00 0.15 N ATOM 157 CA ALA A 10 4.309 -11.148 7.047 1.00 0.15 C ATOM 158 C ALA A 10 3.503 -10.733 5.815 1.00 0.14 C ATOM 159 O ALA A 10 2.292 -10.803 5.804 1.00 0.15 O ATOM 160 CB ALA A 10 4.476 -9.967 8.006 1.00 0.17 C ATOM 0 H ALA A 10 6.428 -11.032 6.871 1.00 0.15 H new ATOM 0 HA ALA A 10 3.777 -11.943 7.570 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.495 -9.616 8.325 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.049 -10.284 8.877 1.00 0.17 H new ATOM 0 HB3 ALA A 10 5.003 -9.159 7.499 1.00 0.17 H new ATOM 166 N PHE A 11 4.164 -10.299 4.775 1.00 0.14 N ATOM 167 CA PHE A 11 3.424 -9.884 3.549 1.00 0.13 C ATOM 168 C PHE A 11 2.621 -11.064 3.021 1.00 0.14 C ATOM 169 O PHE A 11 1.469 -10.938 2.656 1.00 0.14 O ATOM 170 CB PHE A 11 4.430 -9.453 2.474 1.00 0.14 C ATOM 171 CG PHE A 11 3.698 -8.802 1.320 1.00 0.14 C ATOM 172 CD1 PHE A 11 3.056 -7.573 1.503 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.664 -9.426 0.065 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.376 -6.973 0.442 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.985 -8.821 -0.999 1.00 0.14 C ATOM 176 CZ PHE A 11 2.340 -7.596 -0.811 1.00 0.14 C ATOM 0 H PHE A 11 5.179 -10.214 4.722 1.00 0.14 H new ATOM 0 HA PHE A 11 2.756 -9.057 3.790 1.00 0.13 H new ATOM 0 HB2 PHE A 11 5.153 -8.756 2.898 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.991 -10.318 2.120 1.00 0.14 H new ATOM 0 HD1 PHE A 11 3.086 -7.087 2.467 1.00 0.14 H new ATOM 0 HD2 PHE A 11 4.162 -10.373 -0.081 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.877 -6.026 0.588 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.960 -9.301 -1.966 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.814 -7.130 -1.631 1.00 0.14 H new ATOM 186 N GLN A 12 3.223 -12.214 2.978 1.00 0.14 N ATOM 187 CA GLN A 12 2.500 -13.407 2.466 1.00 0.16 C ATOM 188 C GLN A 12 1.339 -13.736 3.405 1.00 0.15 C ATOM 189 O GLN A 12 0.236 -14.015 2.981 1.00 0.16 O ATOM 190 CB GLN A 12 3.470 -14.591 2.438 1.00 0.18 C ATOM 191 CG GLN A 12 4.635 -14.276 1.500 1.00 0.17 C ATOM 192 CD GLN A 12 4.107 -14.105 0.077 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.602 -15.040 -0.512 1.00 1.12 O ATOM 194 NE2 GLN A 12 4.184 -12.936 -0.493 1.00 1.31 N ATOM 0 H GLN A 12 4.184 -12.381 3.275 1.00 0.14 H new ATOM 0 HA GLN A 12 2.116 -13.209 1.465 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.843 -14.793 3.442 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.953 -15.490 2.103 1.00 0.18 H new ATOM 0 HG2 GLN A 12 5.142 -13.367 1.824 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.371 -15.080 1.533 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.609 -12.153 0.004 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.820 -12.804 -1.436 1.00 1.31 H new ATOM 203 N GLU A 13 1.591 -13.693 4.684 1.00 0.16 N ATOM 204 CA GLU A 13 0.529 -13.991 5.689 1.00 0.17 C ATOM 205 C GLU A 13 -0.592 -12.954 5.604 1.00 0.15 C ATOM 206 O GLU A 13 -1.756 -13.272 5.736 1.00 0.16 O ATOM 207 CB GLU A 13 1.154 -13.982 7.091 1.00 0.19 C ATOM 208 CG GLU A 13 1.863 -15.316 7.362 1.00 0.28 C ATOM 209 CD GLU A 13 2.928 -15.571 6.293 1.00 0.95 C ATOM 210 OE1 GLU A 13 2.553 -15.846 5.165 1.00 1.77 O ATOM 211 OE2 GLU A 13 4.099 -15.495 6.622 1.00 1.67 O ATOM 0 H GLU A 13 2.501 -13.461 5.082 1.00 0.16 H new ATOM 0 HA GLU A 13 0.100 -14.972 5.484 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.865 -13.160 7.175 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.381 -13.813 7.841 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.324 -15.298 8.349 1.00 0.28 H new ATOM 0 HG3 GLU A 13 1.137 -16.129 7.365 1.00 0.28 H new ATOM 218 N ALA A 14 -0.247 -11.717 5.404 1.00 0.15 N ATOM 219 CA ALA A 14 -1.291 -10.663 5.327 1.00 0.14 C ATOM 220 C ALA A 14 -2.168 -10.918 4.102 1.00 0.13 C ATOM 221 O ALA A 14 -3.377 -10.806 4.156 1.00 0.13 O ATOM 222 CB ALA A 14 -0.613 -9.300 5.202 1.00 0.15 C ATOM 0 H ALA A 14 0.712 -11.390 5.290 1.00 0.15 H new ATOM 0 HA ALA A 14 -1.909 -10.680 6.225 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.372 -8.520 5.145 1.00 0.15 H new ATOM 0 HB2 ALA A 14 0.020 -9.127 6.072 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.002 -9.279 4.299 1.00 0.15 H new ATOM 228 N LEU A 15 -1.568 -11.273 2.998 1.00 0.12 N ATOM 229 CA LEU A 15 -2.365 -11.540 1.775 1.00 0.12 C ATOM 230 C LEU A 15 -3.338 -12.684 2.055 1.00 0.13 C ATOM 231 O LEU A 15 -4.482 -12.656 1.649 1.00 0.13 O ATOM 232 CB LEU A 15 -1.417 -11.950 0.641 1.00 0.13 C ATOM 233 CG LEU A 15 -0.611 -10.731 0.153 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.648 -11.206 -0.593 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.462 -9.863 -0.791 1.00 0.17 C ATOM 0 H LEU A 15 -0.560 -11.389 2.894 1.00 0.12 H new ATOM 0 HA LEU A 15 -2.919 -10.646 1.488 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.738 -12.728 0.989 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -1.989 -12.372 -0.186 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.325 -10.136 1.020 1.00 0.13 H new ATOM 0 HD11 LEU A 15 1.215 -10.341 -0.937 1.00 0.17 H new ATOM 0 HD12 LEU A 15 1.266 -11.802 0.079 1.00 0.17 H new ATOM 0 HD13 LEU A 15 0.356 -11.812 -1.450 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -0.876 -9.007 -1.125 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -1.765 -10.455 -1.655 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.348 -9.512 -0.262 1.00 0.17 H new ATOM 247 N ASP A 16 -2.889 -13.692 2.750 1.00 0.13 N ATOM 248 CA ASP A 16 -3.785 -14.836 3.059 1.00 0.15 C ATOM 249 C ASP A 16 -4.864 -14.416 4.068 1.00 0.15 C ATOM 250 O ASP A 16 -5.984 -14.885 4.020 1.00 0.16 O ATOM 251 CB ASP A 16 -2.967 -15.994 3.640 1.00 0.17 C ATOM 252 CG ASP A 16 -3.817 -17.268 3.635 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.791 -17.311 4.370 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.482 -18.179 2.894 1.00 1.07 O ATOM 0 H ASP A 16 -1.940 -13.771 3.116 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.269 -15.157 2.136 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.061 -16.145 3.052 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.652 -15.758 4.656 1.00 0.17 H new ATOM 259 N ALA A 17 -4.525 -13.567 5.006 1.00 0.15 N ATOM 260 CA ALA A 17 -5.526 -13.152 6.039 1.00 0.16 C ATOM 261 C ALA A 17 -6.634 -12.295 5.416 1.00 0.15 C ATOM 262 O ALA A 17 -7.783 -12.385 5.800 1.00 0.17 O ATOM 263 CB ALA A 17 -4.827 -12.363 7.152 1.00 0.18 C ATOM 0 H ALA A 17 -3.602 -13.144 5.102 1.00 0.15 H new ATOM 0 HA ALA A 17 -5.979 -14.051 6.457 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.560 -12.063 7.901 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.066 -12.989 7.619 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.357 -11.475 6.729 1.00 0.18 H new ATOM 269 N ALA A 18 -6.309 -11.464 4.466 1.00 0.14 N ATOM 270 CA ALA A 18 -7.362 -10.608 3.840 1.00 0.15 C ATOM 271 C ALA A 18 -8.415 -11.493 3.172 1.00 0.14 C ATOM 272 O ALA A 18 -9.577 -11.144 3.100 1.00 0.17 O ATOM 273 CB ALA A 18 -6.734 -9.700 2.787 1.00 0.15 C ATOM 0 H ALA A 18 -5.367 -11.339 4.096 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.830 -10.000 4.614 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.507 -9.079 2.335 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -5.985 -9.063 3.256 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.261 -10.309 2.017 1.00 0.15 H new ATOM 279 N GLY A 19 -8.022 -12.630 2.680 1.00 0.16 N ATOM 280 CA GLY A 19 -9.004 -13.530 2.013 1.00 0.20 C ATOM 281 C GLY A 19 -9.492 -12.896 0.706 1.00 0.16 C ATOM 282 O GLY A 19 -8.707 -12.569 -0.162 1.00 0.17 O ATOM 0 H GLY A 19 -7.064 -12.978 2.709 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.543 -14.496 1.808 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.850 -13.714 2.676 1.00 0.20 H new ATOM 286 N ASP A 20 -10.781 -12.739 0.543 1.00 0.15 N ATOM 287 CA ASP A 20 -11.312 -12.150 -0.727 1.00 0.14 C ATOM 288 C ASP A 20 -11.460 -10.630 -0.599 1.00 0.12 C ATOM 289 O ASP A 20 -11.891 -9.964 -1.518 1.00 0.13 O ATOM 290 CB ASP A 20 -12.679 -12.759 -1.031 1.00 0.15 C ATOM 291 CG ASP A 20 -12.547 -14.278 -1.169 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.443 -14.737 -1.410 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.551 -14.954 -1.022 1.00 1.07 O ATOM 0 H ASP A 20 -11.489 -12.992 1.232 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.611 -12.370 -1.533 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.382 -12.516 -0.234 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.081 -12.334 -1.951 1.00 0.15 H new ATOM 298 N LYS A 21 -11.119 -10.071 0.530 1.00 0.12 N ATOM 299 CA LYS A 21 -11.261 -8.594 0.698 1.00 0.12 C ATOM 300 C LYS A 21 -10.151 -7.879 -0.076 1.00 0.10 C ATOM 301 O LYS A 21 -9.060 -8.397 -0.223 1.00 0.11 O ATOM 302 CB LYS A 21 -11.120 -8.233 2.178 1.00 0.15 C ATOM 303 CG LYS A 21 -12.277 -8.829 2.992 1.00 0.21 C ATOM 304 CD LYS A 21 -12.427 -8.047 4.301 1.00 0.31 C ATOM 305 CE LYS A 21 -13.350 -8.795 5.258 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.810 -7.858 6.320 1.00 1.50 N ATOM 0 H LYS A 21 -10.750 -10.569 1.340 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.238 -8.288 0.324 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.170 -8.606 2.560 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.107 -7.149 2.294 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.203 -8.783 2.419 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.085 -9.881 3.203 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.450 -7.905 4.763 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.830 -7.055 4.097 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.205 -9.200 4.717 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.825 -9.640 5.703 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -14.440 -8.361 6.977 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.987 -7.492 6.841 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -14.324 -7.066 5.885 1.00 1.50 H new ATOM 320 N LEU A 22 -10.400 -6.686 -0.554 1.00 0.11 N ATOM 321 CA LEU A 22 -9.332 -5.956 -1.295 1.00 0.12 C ATOM 322 C LEU A 22 -8.101 -5.810 -0.396 1.00 0.12 C ATOM 323 O LEU A 22 -8.180 -5.903 0.813 1.00 0.14 O ATOM 324 CB LEU A 22 -9.844 -4.552 -1.702 1.00 0.15 C ATOM 325 CG LEU A 22 -10.379 -4.541 -3.137 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.952 -3.145 -3.418 1.00 0.31 C ATOM 327 CD2 LEU A 22 -9.229 -4.851 -4.130 1.00 0.47 C ATOM 0 H LEU A 22 -11.288 -6.192 -0.464 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.067 -6.515 -2.192 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -10.632 -4.239 -1.017 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.035 -3.828 -1.609 1.00 0.15 H new ATOM 0 HG LEU A 22 -11.153 -5.299 -3.259 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -11.341 -3.109 -4.436 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.757 -2.934 -2.714 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -10.165 -2.399 -3.304 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -9.616 -4.842 -5.149 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -8.449 -4.096 -4.031 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -8.812 -5.834 -3.909 1.00 0.47 H new ATOM 339 N VAL A 23 -6.966 -5.570 -0.994 1.00 0.11 N ATOM 340 CA VAL A 23 -5.716 -5.396 -0.215 1.00 0.11 C ATOM 341 C VAL A 23 -4.842 -4.385 -0.943 1.00 0.11 C ATOM 342 O VAL A 23 -4.285 -4.674 -1.984 1.00 0.17 O ATOM 343 CB VAL A 23 -4.975 -6.729 -0.122 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.634 -6.527 0.591 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.821 -7.728 0.664 1.00 0.12 C ATOM 0 H VAL A 23 -6.855 -5.487 -2.004 1.00 0.11 H new ATOM 0 HA VAL A 23 -5.947 -5.048 0.792 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.796 -7.112 -1.127 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.109 -7.480 0.655 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.028 -5.816 0.031 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -3.810 -6.142 1.595 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.293 -8.679 0.731 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.001 -7.342 1.667 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.774 -7.877 0.156 1.00 0.12 H new ATOM 355 N VAL A 24 -4.716 -3.202 -0.409 1.00 0.09 N ATOM 356 CA VAL A 24 -3.868 -2.165 -1.067 1.00 0.09 C ATOM 357 C VAL A 24 -2.547 -2.095 -0.302 1.00 0.09 C ATOM 358 O VAL A 24 -2.531 -2.135 0.911 1.00 0.10 O ATOM 359 CB VAL A 24 -4.590 -0.808 -1.025 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.756 0.245 -1.766 1.00 0.12 C ATOM 361 CG2 VAL A 24 -5.968 -0.934 -1.700 1.00 0.14 C ATOM 0 H VAL A 24 -5.165 -2.906 0.458 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.681 -2.417 -2.111 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.719 -0.504 0.014 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.271 1.205 -1.734 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.781 0.340 -1.287 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.623 -0.061 -2.804 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.478 0.029 -1.669 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.838 -1.243 -2.737 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.565 -1.678 -1.172 1.00 0.14 H new ATOM 371 N VAL A 25 -1.434 -2.028 -0.995 1.00 0.09 N ATOM 372 CA VAL A 25 -0.106 -1.990 -0.295 1.00 0.09 C ATOM 373 C VAL A 25 0.611 -0.682 -0.620 1.00 0.10 C ATOM 374 O VAL A 25 0.853 -0.362 -1.765 1.00 0.11 O ATOM 375 CB VAL A 25 0.738 -3.175 -0.780 1.00 0.09 C ATOM 376 CG1 VAL A 25 2.031 -3.264 0.029 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.053 -4.475 -0.606 1.00 0.10 C ATOM 0 H VAL A 25 -1.386 -1.998 -2.013 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.253 -2.054 0.783 1.00 0.09 H new ATOM 0 HB VAL A 25 0.980 -3.028 -1.833 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.623 -4.109 -0.323 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.602 -2.344 -0.095 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.792 -3.403 1.083 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.549 -5.316 -0.951 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.299 -4.613 0.447 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -0.972 -4.423 -1.190 1.00 0.10 H new ATOM 387 N ASP A 26 0.962 0.075 0.389 1.00 0.11 N ATOM 388 CA ASP A 26 1.673 1.374 0.158 1.00 0.12 C ATOM 389 C ASP A 26 3.183 1.189 0.369 1.00 0.14 C ATOM 390 O ASP A 26 3.631 0.830 1.438 1.00 0.20 O ATOM 391 CB ASP A 26 1.149 2.420 1.148 1.00 0.14 C ATOM 392 CG ASP A 26 1.871 3.749 0.915 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.713 4.306 -0.158 1.00 1.04 O ATOM 394 OD2 ASP A 26 2.572 4.184 1.812 1.00 1.05 O ATOM 0 H ASP A 26 0.787 -0.150 1.368 1.00 0.11 H new ATOM 0 HA ASP A 26 1.491 1.706 -0.864 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.074 2.550 1.021 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.310 2.081 2.171 1.00 0.14 H new ATOM 399 N PHE A 27 3.967 1.440 -0.643 1.00 0.13 N ATOM 400 CA PHE A 27 5.453 1.293 -0.525 1.00 0.13 C ATOM 401 C PHE A 27 6.102 2.648 -0.256 1.00 0.22 C ATOM 402 O PHE A 27 7.253 2.866 -0.577 1.00 0.73 O ATOM 403 CB PHE A 27 6.013 0.712 -1.823 1.00 0.11 C ATOM 404 CG PHE A 27 5.642 -0.746 -1.927 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.420 -1.702 -1.265 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.537 -1.145 -2.687 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.093 -3.059 -1.360 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.210 -2.502 -2.780 1.00 0.14 C ATOM 409 CZ PHE A 27 4.988 -3.459 -2.117 1.00 0.14 C ATOM 0 H PHE A 27 3.641 1.745 -1.560 1.00 0.13 H new ATOM 0 HA PHE A 27 5.675 0.623 0.306 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.618 1.260 -2.679 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.097 0.824 -1.845 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.274 -1.392 -0.680 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.938 -0.407 -3.200 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.694 -3.797 -0.849 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.356 -2.812 -3.364 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.734 -4.506 -2.190 1.00 0.14 H new ATOM 419 N SER A 28 5.378 3.568 0.308 1.00 0.30 N ATOM 420 CA SER A 28 5.969 4.908 0.562 1.00 0.24 C ATOM 421 C SER A 28 7.181 4.789 1.475 1.00 0.24 C ATOM 422 O SER A 28 7.246 3.944 2.345 1.00 0.28 O ATOM 423 CB SER A 28 4.941 5.812 1.240 1.00 0.27 C ATOM 424 OG SER A 28 3.806 5.955 0.397 1.00 0.29 O ATOM 0 H SER A 28 4.408 3.453 0.603 1.00 0.30 H new ATOM 0 HA SER A 28 6.270 5.334 -0.395 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.644 5.387 2.199 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.379 6.788 1.446 1.00 0.27 H new ATOM 0 HG SER A 28 3.146 6.534 0.833 1.00 0.29 H new ATOM 430 N ALA A 29 8.133 5.660 1.292 1.00 0.20 N ATOM 431 CA ALA A 29 9.341 5.646 2.151 1.00 0.21 C ATOM 432 C ALA A 29 9.027 6.454 3.405 1.00 0.22 C ATOM 433 O ALA A 29 8.638 7.603 3.325 1.00 0.22 O ATOM 434 CB ALA A 29 10.509 6.297 1.397 1.00 0.19 C ATOM 0 H ALA A 29 8.122 6.387 0.576 1.00 0.20 H new ATOM 0 HA ALA A 29 9.617 4.625 2.414 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.399 6.288 2.027 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.707 5.740 0.481 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.252 7.326 1.147 1.00 0.19 H new ATOM 440 N THR A 30 9.187 5.881 4.559 1.00 0.23 N ATOM 441 CA THR A 30 8.885 6.653 5.791 1.00 0.24 C ATOM 442 C THR A 30 9.920 7.770 5.936 1.00 0.22 C ATOM 443 O THR A 30 9.619 8.850 6.405 1.00 0.22 O ATOM 444 CB THR A 30 8.929 5.720 7.007 1.00 0.28 C ATOM 445 OG1 THR A 30 8.692 6.473 8.189 1.00 0.30 O ATOM 446 CG2 THR A 30 10.294 5.035 7.090 1.00 0.29 C ATOM 0 H THR A 30 9.509 4.924 4.704 1.00 0.23 H new ATOM 0 HA THR A 30 7.888 7.090 5.727 1.00 0.24 H new ATOM 0 HB THR A 30 8.158 4.956 6.904 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.718 5.878 8.967 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.317 4.374 7.956 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.464 4.453 6.185 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.074 5.790 7.188 1.00 0.29 H new ATOM 454 N TRP A 31 11.136 7.529 5.518 1.00 0.22 N ATOM 455 CA TRP A 31 12.183 8.589 5.625 1.00 0.21 C ATOM 456 C TRP A 31 11.897 9.724 4.640 1.00 0.19 C ATOM 457 O TRP A 31 12.365 10.832 4.810 1.00 0.22 O ATOM 458 CB TRP A 31 13.552 7.995 5.306 1.00 0.23 C ATOM 459 CG TRP A 31 13.577 7.520 3.886 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.418 6.236 3.510 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.751 8.287 2.655 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.522 6.152 2.133 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.717 7.392 1.559 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.944 9.653 2.382 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.866 7.834 0.246 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.091 10.102 1.060 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.051 9.193 -0.006 1.00 0.21 C ATOM 0 H TRP A 31 11.448 6.648 5.109 1.00 0.22 H new ATOM 0 HA TRP A 31 12.173 8.982 6.642 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.329 8.743 5.463 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.766 7.166 5.981 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.238 5.406 4.177 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.462 5.280 1.606 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.979 10.362 3.196 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.838 7.129 -0.571 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.236 11.154 0.863 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.163 9.544 -1.021 1.00 0.21 H new ATOM 478 N CYS A 32 11.137 9.466 3.609 1.00 0.18 N ATOM 479 CA CYS A 32 10.836 10.548 2.626 1.00 0.17 C ATOM 480 C CYS A 32 9.646 11.358 3.150 1.00 0.17 C ATOM 481 O CYS A 32 8.538 10.870 3.254 1.00 0.20 O ATOM 482 CB CYS A 32 10.517 9.921 1.253 1.00 0.18 C ATOM 483 SG CYS A 32 10.574 11.197 -0.045 1.00 0.26 S ATOM 0 H CYS A 32 10.714 8.560 3.406 1.00 0.18 H new ATOM 0 HA CYS A 32 11.694 11.209 2.505 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.234 9.131 1.029 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.530 9.458 1.276 1.00 0.18 H new ATOM 488 N GLY A 33 9.894 12.590 3.518 1.00 0.20 N ATOM 489 CA GLY A 33 8.816 13.451 4.084 1.00 0.23 C ATOM 490 C GLY A 33 7.650 13.616 3.102 1.00 0.21 C ATOM 491 O GLY A 33 6.512 13.393 3.464 1.00 0.22 O ATOM 0 H GLY A 33 10.807 13.039 3.449 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.451 13.014 5.013 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.225 14.431 4.332 1.00 0.23 H new ATOM 495 N PRO A 34 7.900 14.007 1.878 1.00 0.21 N ATOM 496 CA PRO A 34 6.793 14.172 0.901 1.00 0.22 C ATOM 497 C PRO A 34 5.904 12.928 0.837 1.00 0.22 C ATOM 498 O PRO A 34 4.708 13.014 0.660 1.00 0.24 O ATOM 499 CB PRO A 34 7.558 14.381 -0.413 1.00 0.29 C ATOM 500 CG PRO A 34 8.985 14.820 -0.047 1.00 0.31 C ATOM 501 CD PRO A 34 9.272 14.317 1.379 1.00 0.24 C ATOM 0 HA PRO A 34 6.110 14.984 1.149 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.577 13.461 -0.997 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.069 15.138 -1.026 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.706 14.406 -0.752 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.077 15.905 -0.097 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.915 13.437 1.380 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.767 15.074 1.987 1.00 0.24 H new ATOM 509 N ALA A 35 6.492 11.772 0.984 1.00 0.21 N ATOM 510 CA ALA A 35 5.699 10.512 0.933 1.00 0.23 C ATOM 511 C ALA A 35 4.947 10.316 2.258 1.00 0.23 C ATOM 512 O ALA A 35 3.761 10.054 2.277 1.00 0.22 O ATOM 513 CB ALA A 35 6.658 9.336 0.685 1.00 0.24 C ATOM 0 H ALA A 35 7.492 11.646 1.138 1.00 0.21 H new ATOM 0 HA ALA A 35 4.968 10.563 0.126 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.091 8.406 0.645 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.179 9.484 -0.261 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.386 9.283 1.495 1.00 0.24 H new ATOM 519 N LYS A 36 5.629 10.452 3.363 1.00 0.25 N ATOM 520 CA LYS A 36 4.964 10.286 4.691 1.00 0.27 C ATOM 521 C LYS A 36 3.839 11.314 4.832 1.00 0.26 C ATOM 522 O LYS A 36 2.834 11.067 5.465 1.00 0.27 O ATOM 523 CB LYS A 36 5.991 10.490 5.806 1.00 0.33 C ATOM 524 CG LYS A 36 5.362 10.115 7.151 1.00 0.37 C ATOM 525 CD LYS A 36 6.333 10.437 8.291 1.00 0.44 C ATOM 526 CE LYS A 36 5.658 10.125 9.629 1.00 0.89 C ATOM 527 NZ LYS A 36 6.618 10.350 10.749 1.00 1.59 N ATOM 0 H LYS A 36 6.624 10.672 3.405 1.00 0.25 H new ATOM 0 HA LYS A 36 4.546 9.282 4.765 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.872 9.876 5.620 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.323 11.528 5.824 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.430 10.662 7.291 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.114 9.054 7.162 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.245 9.850 8.185 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.623 11.487 8.252 1.00 0.44 H new ATOM 0 HE2 LYS A 36 4.780 10.758 9.759 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.311 9.092 9.639 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.152 10.136 11.654 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.443 9.729 10.629 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.929 11.343 10.746 1.00 1.59 H new ATOM 541 N MET A 37 4.000 12.466 4.245 1.00 0.28 N ATOM 542 CA MET A 37 2.943 13.513 4.351 1.00 0.30 C ATOM 543 C MET A 37 1.639 12.966 3.764 1.00 0.25 C ATOM 544 O MET A 37 0.564 13.382 4.137 1.00 0.25 O ATOM 545 CB MET A 37 3.383 14.766 3.576 1.00 0.38 C ATOM 546 CG MET A 37 2.428 15.930 3.877 1.00 0.44 C ATOM 547 SD MET A 37 2.756 17.292 2.726 1.00 1.54 S ATOM 548 CE MET A 37 1.478 18.435 3.311 1.00 2.10 C ATOM 0 H MET A 37 4.818 12.730 3.696 1.00 0.28 H new ATOM 0 HA MET A 37 2.787 13.779 5.396 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.401 15.038 3.855 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.391 14.558 2.506 1.00 0.38 H new ATOM 0 HG2 MET A 37 1.394 15.600 3.782 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.561 16.268 4.905 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.513 19.352 2.722 1.00 2.10 H new ATOM 0 HE2 MET A 37 0.498 17.971 3.203 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.654 18.671 4.361 1.00 2.10 H new ATOM 558 N ILE A 38 1.739 12.051 2.833 1.00 0.23 N ATOM 559 CA ILE A 38 0.524 11.457 2.179 1.00 0.25 C ATOM 560 C ILE A 38 -0.092 10.331 3.029 1.00 0.26 C ATOM 561 O ILE A 38 -1.130 9.802 2.693 1.00 0.31 O ATOM 562 CB ILE A 38 0.897 10.870 0.805 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.766 11.866 0.032 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.376 10.578 -0.003 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.363 11.177 -1.192 1.00 0.49 C ATOM 0 H ILE A 38 2.626 11.682 2.490 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.205 12.260 2.072 1.00 0.25 H new ATOM 0 HB ILE A 38 1.451 9.944 0.958 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.168 12.724 -0.276 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.562 12.245 0.673 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.104 10.163 -0.973 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.994 9.861 0.538 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.935 11.502 -0.148 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.982 11.886 -1.743 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.974 10.333 -0.872 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.560 10.820 -1.836 1.00 0.49 H new ATOM 577 N LYS A 39 0.539 9.908 4.090 1.00 0.27 N ATOM 578 CA LYS A 39 -0.055 8.775 4.863 1.00 0.34 C ATOM 579 C LYS A 39 -1.470 9.062 5.422 1.00 0.30 C ATOM 580 O LYS A 39 -2.234 8.135 5.580 1.00 0.33 O ATOM 581 CB LYS A 39 0.890 8.303 5.996 1.00 0.46 C ATOM 582 CG LYS A 39 0.840 9.221 7.239 1.00 0.50 C ATOM 583 CD LYS A 39 1.380 8.466 8.460 1.00 0.65 C ATOM 584 CE LYS A 39 0.388 7.371 8.918 1.00 0.80 C ATOM 585 NZ LYS A 39 1.027 6.035 8.752 1.00 0.75 N ATOM 0 H LYS A 39 1.416 10.284 4.450 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.173 7.970 4.138 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.621 7.288 6.288 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.912 8.265 5.619 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.432 10.119 7.064 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.184 9.545 7.423 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.341 8.012 8.216 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.556 9.166 9.276 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.109 7.528 9.960 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.529 7.425 8.331 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.332 5.290 8.961 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.363 5.930 7.774 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.832 5.951 9.406 1.00 0.75 H new ATOM 599 N PRO A 40 -1.843 10.281 5.771 1.00 0.26 N ATOM 600 CA PRO A 40 -3.202 10.505 6.346 1.00 0.25 C ATOM 601 C PRO A 40 -4.316 10.059 5.406 1.00 0.20 C ATOM 602 O PRO A 40 -5.302 9.515 5.834 1.00 0.21 O ATOM 603 CB PRO A 40 -3.214 12.025 6.551 1.00 0.26 C ATOM 604 CG PRO A 40 -1.755 12.471 6.563 1.00 0.28 C ATOM 605 CD PRO A 40 -1.012 11.508 5.635 1.00 0.27 C ATOM 0 HA PRO A 40 -3.382 9.931 7.255 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.765 12.520 5.751 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.708 12.287 7.487 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.659 13.500 6.216 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.344 12.435 7.572 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.977 11.870 4.608 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.019 11.345 5.950 1.00 0.27 H new ATOM 613 N PHE A 41 -4.172 10.277 4.129 1.00 0.16 N ATOM 614 CA PHE A 41 -5.250 9.842 3.203 1.00 0.13 C ATOM 615 C PHE A 41 -5.275 8.318 3.153 1.00 0.13 C ATOM 616 O PHE A 41 -6.290 7.687 3.354 1.00 0.15 O ATOM 617 CB PHE A 41 -4.960 10.371 1.798 1.00 0.14 C ATOM 618 CG PHE A 41 -5.120 11.871 1.756 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.129 12.704 2.286 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.269 12.427 1.181 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.287 14.096 2.239 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.427 13.815 1.133 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.437 14.651 1.663 1.00 0.37 C ATOM 0 H PHE A 41 -3.369 10.730 3.693 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.208 10.226 3.553 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.947 10.099 1.502 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.637 9.907 1.081 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.243 12.275 2.731 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.034 11.783 0.774 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.522 14.740 2.647 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.313 14.243 0.687 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.560 15.723 1.628 1.00 0.37 H new ATOM 633 N PHE A 42 -4.146 7.721 2.919 1.00 0.12 N ATOM 634 CA PHE A 42 -4.076 6.239 2.869 1.00 0.13 C ATOM 635 C PHE A 42 -4.530 5.660 4.212 1.00 0.14 C ATOM 636 O PHE A 42 -5.373 4.789 4.279 1.00 0.16 O ATOM 637 CB PHE A 42 -2.622 5.850 2.580 1.00 0.13 C ATOM 638 CG PHE A 42 -2.495 4.352 2.516 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.886 3.670 1.359 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.999 3.641 3.619 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.783 2.273 1.304 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.894 2.247 3.562 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.287 1.561 2.404 1.00 0.13 C ATOM 0 H PHE A 42 -3.260 8.200 2.759 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.728 5.844 2.090 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.299 6.292 1.637 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.969 6.246 3.358 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.266 4.218 0.510 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.698 4.169 4.512 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.086 1.745 0.412 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.510 1.699 4.410 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.207 0.485 2.360 1.00 0.13 H new ATOM 653 N HIS A 43 -3.966 6.151 5.278 1.00 0.16 N ATOM 654 CA HIS A 43 -4.328 5.666 6.643 1.00 0.18 C ATOM 655 C HIS A 43 -5.769 6.052 7.015 1.00 0.16 C ATOM 656 O HIS A 43 -6.511 5.258 7.552 1.00 0.16 O ATOM 657 CB HIS A 43 -3.332 6.274 7.637 1.00 0.23 C ATOM 658 CG HIS A 43 -3.656 5.832 9.031 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.046 4.740 9.621 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.560 6.301 9.944 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.594 4.583 10.841 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.525 5.510 11.089 1.00 0.31 N ATOM 0 H HIS A 43 -3.255 6.882 5.263 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.278 4.577 6.670 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.318 5.970 7.378 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.364 7.362 7.576 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.204 7.156 9.799 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.315 3.803 11.535 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.087 5.615 11.934 1.00 0.31 H new ATOM 670 N SER A 44 -6.166 7.266 6.746 1.00 0.15 N ATOM 671 CA SER A 44 -7.559 7.695 7.093 1.00 0.15 C ATOM 672 C SER A 44 -8.584 6.862 6.321 1.00 0.13 C ATOM 673 O SER A 44 -9.647 6.546 6.819 1.00 0.15 O ATOM 674 CB SER A 44 -7.759 9.167 6.745 1.00 0.18 C ATOM 675 OG SER A 44 -6.863 9.954 7.522 1.00 0.22 O ATOM 0 H SER A 44 -5.590 7.981 6.302 1.00 0.15 H new ATOM 0 HA SER A 44 -7.702 7.546 8.163 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.579 9.330 5.682 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.789 9.464 6.943 1.00 0.18 H new ATOM 0 HG SER A 44 -6.072 10.173 6.987 1.00 0.22 H new ATOM 681 N LEU A 45 -8.285 6.532 5.096 1.00 0.12 N ATOM 682 CA LEU A 45 -9.251 5.748 4.275 1.00 0.14 C ATOM 683 C LEU A 45 -9.512 4.389 4.918 1.00 0.13 C ATOM 684 O LEU A 45 -10.540 3.780 4.700 1.00 0.15 O ATOM 685 CB LEU A 45 -8.686 5.541 2.866 1.00 0.16 C ATOM 686 CG LEU A 45 -8.766 6.854 2.060 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.780 6.800 0.887 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.191 7.058 1.511 1.00 0.22 C ATOM 0 H LEU A 45 -7.412 6.772 4.626 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.188 6.302 4.217 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.650 5.206 2.927 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.244 4.757 2.354 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.513 7.684 2.719 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.839 7.729 0.319 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.767 6.671 1.269 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.032 5.962 0.238 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.233 7.988 0.944 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.453 6.224 0.860 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.897 7.106 2.340 1.00 0.22 H new ATOM 700 N SER A 46 -8.589 3.894 5.690 1.00 0.12 N ATOM 701 CA SER A 46 -8.793 2.562 6.322 1.00 0.12 C ATOM 702 C SER A 46 -10.142 2.560 7.028 1.00 0.14 C ATOM 703 O SER A 46 -10.853 1.575 7.034 1.00 0.16 O ATOM 704 CB SER A 46 -7.694 2.310 7.353 1.00 0.13 C ATOM 705 OG SER A 46 -6.427 2.354 6.710 1.00 0.14 O ATOM 0 H SER A 46 -7.704 4.351 5.911 1.00 0.12 H new ATOM 0 HA SER A 46 -8.761 1.784 5.560 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.740 3.061 8.142 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.840 1.340 7.828 1.00 0.13 H new ATOM 0 HG SER A 46 -6.062 3.261 6.769 1.00 0.14 H new ATOM 711 N GLU A 47 -10.494 3.655 7.640 1.00 0.15 N ATOM 712 CA GLU A 47 -11.798 3.727 8.350 1.00 0.18 C ATOM 713 C GLU A 47 -12.896 4.125 7.359 1.00 0.18 C ATOM 714 O GLU A 47 -14.069 3.948 7.621 1.00 0.21 O ATOM 715 CB GLU A 47 -11.705 4.772 9.464 1.00 0.22 C ATOM 716 CG GLU A 47 -10.782 4.269 10.582 1.00 0.23 C ATOM 717 CD GLU A 47 -9.319 4.366 10.139 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.062 5.013 9.136 1.00 2.05 O ATOM 719 OE2 GLU A 47 -8.479 3.787 10.808 1.00 2.16 O ATOM 0 H GLU A 47 -9.932 4.505 7.679 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.038 2.755 8.781 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.324 5.711 9.062 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.698 4.977 9.865 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -10.937 4.859 11.485 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.027 3.236 10.830 1.00 0.23 H new ATOM 726 N LYS A 48 -12.533 4.658 6.214 1.00 0.17 N ATOM 727 CA LYS A 48 -13.579 5.035 5.220 1.00 0.19 C ATOM 728 C LYS A 48 -14.040 3.760 4.532 1.00 0.18 C ATOM 729 O LYS A 48 -15.208 3.573 4.257 1.00 0.21 O ATOM 730 CB LYS A 48 -13.018 6.011 4.186 1.00 0.20 C ATOM 731 CG LYS A 48 -14.159 6.482 3.282 1.00 0.30 C ATOM 732 CD LYS A 48 -13.604 7.324 2.139 1.00 0.82 C ATOM 733 CE LYS A 48 -14.766 7.857 1.307 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.236 8.636 0.155 1.00 1.78 N ATOM 0 H LYS A 48 -11.571 4.844 5.932 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.411 5.528 5.723 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.555 6.863 4.684 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.242 5.527 3.593 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.697 5.622 2.883 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.875 7.066 3.860 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.012 8.150 2.533 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.939 6.724 1.517 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.380 7.031 0.949 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.408 8.488 1.922 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -15.028 8.999 -0.412 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.668 9.433 0.507 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.641 8.021 -0.436 1.00 1.78 H new ATOM 748 N TYR A 49 -13.117 2.863 4.291 1.00 0.16 N ATOM 749 CA TYR A 49 -13.464 1.550 3.663 1.00 0.17 C ATOM 750 C TYR A 49 -13.007 0.466 4.633 1.00 0.16 C ATOM 751 O TYR A 49 -12.097 -0.292 4.365 1.00 0.16 O ATOM 752 CB TYR A 49 -12.739 1.380 2.316 1.00 0.17 C ATOM 753 CG TYR A 49 -13.263 2.389 1.317 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.530 2.213 0.748 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.487 3.500 0.964 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.022 3.147 -0.173 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.979 4.434 0.044 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.247 4.258 -0.523 1.00 0.21 C ATOM 759 OH TYR A 49 -14.732 5.181 -1.429 1.00 0.25 O ATOM 0 H TYR A 49 -12.127 2.985 4.505 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.535 1.490 3.470 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.666 1.513 2.452 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.889 0.369 1.937 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.129 1.356 1.019 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.509 3.636 1.401 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.999 3.010 -0.613 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.380 5.290 -0.228 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.069 5.891 -1.560 1.00 0.25 H new ATOM 769 N SER A 50 -13.649 0.397 5.769 1.00 0.17 N ATOM 770 CA SER A 50 -13.276 -0.614 6.788 1.00 0.18 C ATOM 771 C SER A 50 -13.523 -2.010 6.213 1.00 0.19 C ATOM 772 O SER A 50 -13.114 -3.007 6.773 1.00 0.21 O ATOM 773 CB SER A 50 -14.133 -0.401 8.037 1.00 0.20 C ATOM 774 OG SER A 50 -15.470 -0.798 7.765 1.00 0.22 O ATOM 0 H SER A 50 -14.423 1.007 6.032 1.00 0.17 H new ATOM 0 HA SER A 50 -12.224 -0.515 7.054 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.732 -0.979 8.869 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.107 0.647 8.335 1.00 0.20 H new ATOM 0 HG SER A 50 -16.020 -0.664 8.565 1.00 0.22 H new ATOM 780 N ASN A 51 -14.179 -2.079 5.081 1.00 0.20 N ATOM 781 CA ASN A 51 -14.448 -3.402 4.444 1.00 0.23 C ATOM 782 C ASN A 51 -13.301 -3.725 3.489 1.00 0.19 C ATOM 783 O ASN A 51 -13.344 -4.685 2.742 1.00 0.22 O ATOM 784 CB ASN A 51 -15.761 -3.329 3.657 1.00 0.32 C ATOM 785 CG ASN A 51 -16.199 -4.738 3.249 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.581 -5.534 4.082 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.163 -5.076 1.988 1.00 0.27 N ATOM 0 H ASN A 51 -14.540 -1.273 4.571 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.528 -4.176 5.207 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.534 -2.859 4.265 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.631 -2.708 2.771 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.456 -6.010 1.702 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.842 -4.406 1.289 1.00 0.27 H new ATOM 794 N VAL A 52 -12.262 -2.930 3.536 1.00 0.21 N ATOM 795 CA VAL A 52 -11.065 -3.157 2.674 1.00 0.17 C ATOM 796 C VAL A 52 -9.842 -3.182 3.588 1.00 0.13 C ATOM 797 O VAL A 52 -9.806 -2.499 4.593 1.00 0.14 O ATOM 798 CB VAL A 52 -10.926 -2.019 1.652 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.608 -2.175 0.885 1.00 0.19 C ATOM 800 CG2 VAL A 52 -12.100 -2.070 0.667 1.00 0.24 C ATOM 0 H VAL A 52 -12.193 -2.117 4.148 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.161 -4.095 2.127 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.930 -1.062 2.174 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.511 -1.367 0.160 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.773 -2.137 1.585 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.601 -3.132 0.364 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -12.002 -1.262 -0.058 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -12.097 -3.028 0.147 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -13.037 -1.956 1.212 1.00 0.24 H new ATOM 810 N ILE A 53 -8.852 -3.979 3.280 1.00 0.11 N ATOM 811 CA ILE A 53 -7.644 -4.053 4.167 1.00 0.09 C ATOM 812 C ILE A 53 -6.505 -3.208 3.575 1.00 0.09 C ATOM 813 O ILE A 53 -6.052 -3.456 2.477 1.00 0.12 O ATOM 814 CB ILE A 53 -7.178 -5.511 4.268 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.362 -6.431 4.614 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.115 -5.627 5.363 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.104 -5.921 5.855 1.00 0.15 C ATOM 0 H ILE A 53 -8.824 -4.581 2.457 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.904 -3.672 5.155 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.762 -5.815 3.307 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -9.049 -6.480 3.769 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -8.001 -7.444 4.791 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.781 -6.662 5.438 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.267 -4.989 5.115 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.539 -5.313 6.317 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.937 -6.587 6.080 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.420 -5.896 6.703 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.484 -4.917 5.665 1.00 0.15 H new ATOM 829 N PHE A 54 -6.024 -2.222 4.299 1.00 0.08 N ATOM 830 CA PHE A 54 -4.897 -1.371 3.777 1.00 0.09 C ATOM 831 C PHE A 54 -3.574 -1.783 4.450 1.00 0.09 C ATOM 832 O PHE A 54 -3.475 -1.823 5.660 1.00 0.12 O ATOM 833 CB PHE A 54 -5.160 0.101 4.123 1.00 0.10 C ATOM 834 CG PHE A 54 -6.377 0.623 3.390 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.657 0.254 3.815 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.225 1.498 2.303 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.785 0.758 3.157 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.356 1.998 1.643 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.635 1.628 2.071 1.00 0.10 C ATOM 0 H PHE A 54 -6.361 -1.968 5.228 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.832 -1.506 2.697 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.307 0.205 5.198 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.288 0.701 3.861 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.775 -0.420 4.651 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.237 1.786 1.975 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.773 0.475 3.488 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.240 2.669 0.804 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.507 2.014 1.564 1.00 0.10 H new ATOM 849 N LEU A 55 -2.543 -2.063 3.674 1.00 0.09 N ATOM 850 CA LEU A 55 -1.205 -2.442 4.261 1.00 0.11 C ATOM 851 C LEU A 55 -0.204 -1.315 4.017 1.00 0.10 C ATOM 852 O LEU A 55 -0.167 -0.721 2.959 1.00 0.10 O ATOM 853 CB LEU A 55 -0.636 -3.725 3.612 1.00 0.12 C ATOM 854 CG LEU A 55 -1.341 -4.993 4.132 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.861 -4.826 4.122 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.950 -6.184 3.250 1.00 0.22 C ATOM 0 H LEU A 55 -2.571 -2.045 2.655 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.356 -2.617 5.326 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.749 -3.665 2.530 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.432 -3.793 3.818 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.026 -5.166 5.161 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.330 -5.737 4.494 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.139 -3.988 4.761 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.199 -4.634 3.104 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.446 -7.084 3.613 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.256 -5.991 2.222 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.130 -6.325 3.287 1.00 0.22 H new ATOM 868 N GLU A 56 0.640 -1.052 4.982 1.00 0.12 N ATOM 869 CA GLU A 56 1.686 0.004 4.828 1.00 0.13 C ATOM 870 C GLU A 56 3.036 -0.703 4.741 1.00 0.13 C ATOM 871 O GLU A 56 3.315 -1.597 5.515 1.00 0.14 O ATOM 872 CB GLU A 56 1.663 0.933 6.046 1.00 0.15 C ATOM 873 CG GLU A 56 2.632 2.097 5.823 1.00 0.17 C ATOM 874 CD GLU A 56 2.735 2.923 7.109 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.306 2.422 8.064 1.00 1.05 O ATOM 876 OE2 GLU A 56 2.237 4.039 7.122 1.00 1.13 O ATOM 0 H GLU A 56 0.649 -1.531 5.883 1.00 0.12 H new ATOM 0 HA GLU A 56 1.506 0.602 3.935 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.654 1.312 6.207 1.00 0.15 H new ATOM 0 HB3 GLU A 56 1.943 0.380 6.943 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.614 1.718 5.541 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.283 2.723 5.002 1.00 0.17 H new ATOM 883 N VAL A 57 3.869 -0.341 3.792 1.00 0.12 N ATOM 884 CA VAL A 57 5.195 -1.033 3.652 1.00 0.12 C ATOM 885 C VAL A 57 6.337 -0.011 3.555 1.00 0.11 C ATOM 886 O VAL A 57 6.286 0.932 2.788 1.00 0.13 O ATOM 887 CB VAL A 57 5.176 -1.891 2.383 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.465 -2.701 2.285 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.996 -2.850 2.439 1.00 0.14 C ATOM 0 H VAL A 57 3.691 0.398 3.112 1.00 0.12 H new ATOM 0 HA VAL A 57 5.362 -1.656 4.531 1.00 0.12 H new ATOM 0 HB VAL A 57 5.087 -1.239 1.514 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.445 -3.309 1.380 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.318 -2.024 2.248 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.554 -3.350 3.156 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.981 -3.461 1.537 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.092 -3.495 3.313 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.068 -2.282 2.508 1.00 0.14 H new ATOM 899 N ASP A 58 7.375 -0.215 4.324 1.00 0.10 N ATOM 900 CA ASP A 58 8.554 0.699 4.295 1.00 0.09 C ATOM 901 C ASP A 58 9.589 0.107 3.350 1.00 0.09 C ATOM 902 O ASP A 58 10.078 -0.983 3.564 1.00 0.09 O ATOM 903 CB ASP A 58 9.157 0.775 5.694 1.00 0.10 C ATOM 904 CG ASP A 58 10.215 1.879 5.735 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.492 2.446 4.690 1.00 1.02 O ATOM 906 OD2 ASP A 58 10.731 2.139 6.809 1.00 1.05 O ATOM 0 H ASP A 58 7.456 -0.990 4.982 1.00 0.10 H new ATOM 0 HA ASP A 58 8.256 1.694 3.965 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.376 0.977 6.427 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.605 -0.182 5.961 1.00 0.10 H new ATOM 911 N VAL A 59 9.949 0.805 2.321 1.00 0.09 N ATOM 912 CA VAL A 59 10.958 0.240 1.394 1.00 0.10 C ATOM 913 C VAL A 59 12.297 0.173 2.118 1.00 0.11 C ATOM 914 O VAL A 59 13.199 -0.540 1.724 1.00 0.12 O ATOM 915 CB VAL A 59 11.086 1.144 0.176 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.742 1.188 -0.552 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.475 2.558 0.611 1.00 0.16 C ATOM 0 H VAL A 59 9.595 1.731 2.081 1.00 0.09 H new ATOM 0 HA VAL A 59 10.656 -0.757 1.072 1.00 0.10 H new ATOM 0 HB VAL A 59 11.858 0.753 -0.487 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.823 1.833 -1.427 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.466 0.182 -0.868 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.978 1.580 0.119 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.564 3.197 -0.267 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.709 2.958 1.275 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.430 2.527 1.136 1.00 0.16 H new ATOM 927 N ASP A 60 12.441 0.938 3.164 1.00 0.10 N ATOM 928 CA ASP A 60 13.728 0.950 3.914 1.00 0.12 C ATOM 929 C ASP A 60 13.728 -0.070 5.065 1.00 0.13 C ATOM 930 O ASP A 60 14.707 -0.759 5.271 1.00 0.15 O ATOM 931 CB ASP A 60 13.944 2.367 4.445 1.00 0.14 C ATOM 932 CG ASP A 60 14.485 3.254 3.315 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.684 3.796 2.575 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.697 3.361 3.204 1.00 1.08 O ATOM 0 H ASP A 60 11.720 1.558 3.533 1.00 0.10 H new ATOM 0 HA ASP A 60 14.541 0.662 3.248 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.006 2.773 4.824 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.645 2.352 5.279 1.00 0.14 H new ATOM 939 N ASP A 61 12.652 -0.206 5.805 1.00 0.13 N ATOM 940 CA ASP A 61 12.639 -1.220 6.919 1.00 0.15 C ATOM 941 C ASP A 61 11.994 -2.497 6.394 1.00 0.14 C ATOM 942 O ASP A 61 12.099 -3.555 6.984 1.00 0.19 O ATOM 943 CB ASP A 61 11.837 -0.698 8.117 1.00 0.16 C ATOM 944 CG ASP A 61 12.510 0.559 8.665 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.551 0.925 8.145 1.00 1.07 O ATOM 946 OD2 ASP A 61 11.975 1.136 9.597 1.00 1.01 O ATOM 0 H ASP A 61 11.792 0.331 5.692 1.00 0.13 H new ATOM 0 HA ASP A 61 13.660 -1.411 7.249 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.814 -0.474 7.815 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.781 -1.462 8.892 1.00 0.16 H new ATOM 951 N ALA A 62 11.333 -2.393 5.271 1.00 0.11 N ATOM 952 CA ALA A 62 10.671 -3.573 4.646 1.00 0.12 C ATOM 953 C ALA A 62 11.216 -3.709 3.221 1.00 0.11 C ATOM 954 O ALA A 62 10.497 -4.009 2.290 1.00 0.12 O ATOM 955 CB ALA A 62 9.145 -3.360 4.626 1.00 0.14 C ATOM 0 H ALA A 62 11.223 -1.522 4.752 1.00 0.11 H new ATOM 0 HA ALA A 62 10.877 -4.482 5.212 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.663 -4.224 4.169 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.781 -3.239 5.646 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.910 -2.466 4.049 1.00 0.14 H new ATOM 961 N GLN A 63 12.484 -3.465 3.057 1.00 0.11 N ATOM 962 CA GLN A 63 13.099 -3.542 1.703 1.00 0.12 C ATOM 963 C GLN A 63 12.922 -4.954 1.144 1.00 0.12 C ATOM 964 O GLN A 63 12.877 -5.149 -0.053 1.00 0.14 O ATOM 965 CB GLN A 63 14.594 -3.205 1.808 1.00 0.13 C ATOM 966 CG GLN A 63 15.315 -4.307 2.588 1.00 0.15 C ATOM 967 CD GLN A 63 16.724 -3.836 2.960 1.00 0.77 C ATOM 968 OE1 GLN A 63 16.895 -2.764 3.505 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.748 -4.600 2.692 1.00 1.43 N ATOM 0 H GLN A 63 13.127 -3.213 3.808 1.00 0.11 H new ATOM 0 HA GLN A 63 12.614 -2.830 1.035 1.00 0.12 H new ATOM 0 HB2 GLN A 63 15.026 -3.108 0.812 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.727 -2.245 2.308 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.754 -4.555 3.489 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.371 -5.215 1.987 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.606 -5.501 2.234 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.690 -4.296 2.940 1.00 1.43 H new ATOM 978 N ASP A 64 12.806 -5.942 1.986 1.00 0.13 N ATOM 979 CA ASP A 64 12.616 -7.321 1.468 1.00 0.13 C ATOM 980 C ASP A 64 11.281 -7.407 0.720 1.00 0.15 C ATOM 981 O ASP A 64 11.165 -8.093 -0.275 1.00 0.16 O ATOM 982 CB ASP A 64 12.627 -8.321 2.628 1.00 0.17 C ATOM 983 CG ASP A 64 11.668 -7.860 3.724 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.494 -7.724 3.436 1.00 1.05 O ATOM 985 OD2 ASP A 64 12.126 -7.661 4.837 1.00 1.02 O ATOM 0 H ASP A 64 12.834 -5.854 3.002 1.00 0.13 H new ATOM 0 HA ASP A 64 13.430 -7.564 0.785 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.336 -9.309 2.270 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.636 -8.412 3.031 1.00 0.17 H new ATOM 990 N VAL A 65 10.271 -6.719 1.184 1.00 0.17 N ATOM 991 CA VAL A 65 8.955 -6.781 0.482 1.00 0.22 C ATOM 992 C VAL A 65 9.031 -5.989 -0.830 1.00 0.22 C ATOM 993 O VAL A 65 8.524 -6.407 -1.851 1.00 0.26 O ATOM 994 CB VAL A 65 7.859 -6.154 1.356 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.485 -6.604 0.845 1.00 0.35 C ATOM 996 CG2 VAL A 65 8.036 -6.584 2.812 1.00 0.32 C ATOM 0 H VAL A 65 10.299 -6.122 2.011 1.00 0.17 H new ATOM 0 HA VAL A 65 8.720 -7.826 0.283 1.00 0.22 H new ATOM 0 HB VAL A 65 7.932 -5.068 1.301 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.704 -6.161 1.463 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.357 -6.281 -0.188 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.416 -7.691 0.896 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.253 -6.133 3.422 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.970 -7.670 2.881 1.00 0.32 H new ATOM 0 HG23 VAL A 65 9.011 -6.256 3.172 1.00 0.32 H new ATOM 1006 N ALA A 66 9.635 -4.831 -0.795 1.00 0.19 N ATOM 1007 CA ALA A 66 9.719 -3.997 -2.025 1.00 0.22 C ATOM 1008 C ALA A 66 10.720 -4.600 -3.010 1.00 0.23 C ATOM 1009 O ALA A 66 10.516 -4.576 -4.207 1.00 0.26 O ATOM 1010 CB ALA A 66 10.144 -2.574 -1.659 1.00 0.25 C ATOM 0 H ALA A 66 10.073 -4.428 0.033 1.00 0.19 H new ATOM 0 HA ALA A 66 8.737 -3.970 -2.497 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.204 -1.968 -2.563 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.412 -2.139 -0.979 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.120 -2.599 -1.174 1.00 0.25 H new ATOM 1016 N SER A 67 11.802 -5.136 -2.523 1.00 0.21 N ATOM 1017 CA SER A 67 12.799 -5.730 -3.452 1.00 0.23 C ATOM 1018 C SER A 67 12.130 -6.863 -4.217 1.00 0.23 C ATOM 1019 O SER A 67 12.412 -7.103 -5.374 1.00 0.24 O ATOM 1020 CB SER A 67 13.980 -6.284 -2.658 1.00 0.23 C ATOM 1021 OG SER A 67 13.517 -7.300 -1.781 1.00 0.22 O ATOM 0 H SER A 67 12.038 -5.188 -1.532 1.00 0.21 H new ATOM 0 HA SER A 67 13.161 -4.969 -4.143 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.732 -6.687 -3.336 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.458 -5.486 -2.090 1.00 0.23 H new ATOM 0 HG SER A 67 14.272 -7.660 -1.270 1.00 0.22 H new ATOM 1027 N GLU A 68 11.231 -7.551 -3.580 1.00 0.23 N ATOM 1028 CA GLU A 68 10.523 -8.661 -4.263 1.00 0.25 C ATOM 1029 C GLU A 68 9.766 -8.103 -5.470 1.00 0.22 C ATOM 1030 O GLU A 68 9.706 -8.716 -6.516 1.00 0.24 O ATOM 1031 CB GLU A 68 9.534 -9.305 -3.291 1.00 0.29 C ATOM 1032 CG GLU A 68 8.954 -10.574 -3.916 1.00 0.32 C ATOM 1033 CD GLU A 68 7.760 -11.052 -3.091 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.526 -10.482 -2.038 1.00 2.06 O ATOM 1035 OE2 GLU A 68 7.097 -11.978 -3.528 1.00 1.96 O ATOM 0 H GLU A 68 10.955 -7.391 -2.611 1.00 0.23 H new ATOM 0 HA GLU A 68 11.242 -9.410 -4.596 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.035 -9.545 -2.353 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.733 -8.605 -3.054 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.644 -10.377 -4.942 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.716 -11.352 -3.957 1.00 0.32 H new ATOM 1042 N ALA A 69 9.166 -6.948 -5.322 1.00 0.20 N ATOM 1043 CA ALA A 69 8.388 -6.350 -6.447 1.00 0.20 C ATOM 1044 C ALA A 69 9.281 -5.457 -7.314 1.00 0.19 C ATOM 1045 O ALA A 69 8.813 -4.822 -8.237 1.00 0.20 O ATOM 1046 CB ALA A 69 7.228 -5.524 -5.889 1.00 0.23 C ATOM 0 H ALA A 69 9.183 -6.393 -4.467 1.00 0.20 H new ATOM 0 HA ALA A 69 8.001 -7.159 -7.066 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.662 -5.089 -6.713 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.574 -6.167 -5.299 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.620 -4.727 -5.257 1.00 0.23 H new ATOM 1052 N GLU A 70 10.558 -5.403 -7.042 1.00 0.18 N ATOM 1053 CA GLU A 70 11.449 -4.549 -7.885 1.00 0.18 C ATOM 1054 C GLU A 70 10.896 -3.129 -7.981 1.00 0.17 C ATOM 1055 O GLU A 70 10.776 -2.578 -9.058 1.00 0.18 O ATOM 1056 CB GLU A 70 11.552 -5.141 -9.296 1.00 0.22 C ATOM 1057 CG GLU A 70 12.352 -6.443 -9.264 1.00 0.24 C ATOM 1058 CD GLU A 70 11.530 -7.549 -8.598 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.314 -7.466 -8.645 1.00 2.02 O ATOM 1060 OE2 GLU A 70 12.133 -8.461 -8.056 1.00 2.02 O ATOM 0 H GLU A 70 11.019 -5.905 -6.283 1.00 0.18 H new ATOM 0 HA GLU A 70 12.435 -4.519 -7.421 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.555 -5.328 -9.694 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.033 -4.426 -9.964 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.620 -6.739 -10.278 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.284 -6.293 -8.719 1.00 0.24 H new ATOM 1067 N VAL A 71 10.563 -2.518 -6.878 1.00 0.15 N ATOM 1068 CA VAL A 71 10.013 -1.135 -6.955 1.00 0.14 C ATOM 1069 C VAL A 71 11.104 -0.198 -7.460 1.00 0.14 C ATOM 1070 O VAL A 71 12.230 -0.226 -6.997 1.00 0.16 O ATOM 1071 CB VAL A 71 9.567 -0.672 -5.566 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.850 0.676 -5.688 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.609 -1.707 -4.971 1.00 0.15 C ATOM 0 H VAL A 71 10.646 -2.909 -5.939 1.00 0.15 H new ATOM 0 HA VAL A 71 9.158 -1.123 -7.631 1.00 0.14 H new ATOM 0 HB VAL A 71 10.437 -0.565 -4.918 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.531 1.009 -4.700 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.530 1.412 -6.117 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.978 0.567 -6.334 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.289 -1.380 -3.981 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.738 -1.811 -5.618 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.117 -2.668 -4.889 1.00 0.15 H new ATOM 1083 N LYS A 72 10.778 0.621 -8.423 1.00 0.15 N ATOM 1084 CA LYS A 72 11.777 1.566 -8.986 1.00 0.16 C ATOM 1085 C LYS A 72 11.506 2.979 -8.454 1.00 0.15 C ATOM 1086 O LYS A 72 12.302 3.876 -8.639 1.00 0.16 O ATOM 1087 CB LYS A 72 11.671 1.553 -10.515 1.00 0.19 C ATOM 1088 CG LYS A 72 11.988 0.143 -11.057 1.00 0.23 C ATOM 1089 CD LYS A 72 13.492 -0.154 -10.955 1.00 0.74 C ATOM 1090 CE LYS A 72 13.825 -1.370 -11.822 1.00 0.88 C ATOM 1091 NZ LYS A 72 12.990 -2.526 -11.393 1.00 1.60 N ATOM 0 H LYS A 72 9.851 0.674 -8.846 1.00 0.15 H new ATOM 0 HA LYS A 72 12.781 1.263 -8.689 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.668 1.851 -10.820 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.363 2.279 -10.941 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.426 -0.603 -10.494 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.667 0.067 -12.096 1.00 0.23 H new ATOM 0 HD2 LYS A 72 14.069 0.711 -11.284 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.767 -0.345 -9.918 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.640 -1.143 -12.872 1.00 0.88 H new ATOM 0 HE3 LYS A 72 14.883 -1.617 -11.731 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 13.559 -3.396 -11.426 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 12.653 -2.369 -10.422 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 12.175 -2.621 -12.031 1.00 1.60 H new ATOM 1105 N ALA A 73 10.392 3.195 -7.793 1.00 0.13 N ATOM 1106 CA ALA A 73 10.116 4.568 -7.268 1.00 0.13 C ATOM 1107 C ALA A 73 9.029 4.555 -6.181 1.00 0.11 C ATOM 1108 O ALA A 73 8.182 3.689 -6.140 1.00 0.12 O ATOM 1109 CB ALA A 73 9.663 5.457 -8.424 1.00 0.14 C ATOM 0 H ALA A 73 9.676 2.495 -7.598 1.00 0.13 H new ATOM 0 HA ALA A 73 11.032 4.953 -6.820 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.459 6.461 -8.052 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.449 5.502 -9.178 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.757 5.043 -8.868 1.00 0.14 H new ATOM 1115 N THR A 74 9.040 5.553 -5.323 1.00 0.11 N ATOM 1116 CA THR A 74 8.008 5.672 -4.243 1.00 0.11 C ATOM 1117 C THR A 74 7.373 7.070 -4.359 1.00 0.12 C ATOM 1118 O THR A 74 8.019 7.984 -4.826 1.00 0.15 O ATOM 1119 CB THR A 74 8.696 5.546 -2.870 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.483 6.697 -2.637 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.586 4.309 -2.843 1.00 0.14 C ATOM 0 H THR A 74 9.733 6.301 -5.328 1.00 0.11 H new ATOM 0 HA THR A 74 7.253 4.892 -4.342 1.00 0.11 H new ATOM 0 HB THR A 74 7.936 5.454 -2.094 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.921 6.622 -1.764 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.068 4.229 -1.869 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.980 3.421 -3.023 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.347 4.392 -3.619 1.00 0.14 H new ATOM 1129 N PRO A 75 6.150 7.272 -3.913 1.00 0.13 N ATOM 1130 CA PRO A 75 5.299 6.202 -3.327 1.00 0.10 C ATOM 1131 C PRO A 75 4.666 5.323 -4.402 1.00 0.09 C ATOM 1132 O PRO A 75 4.203 5.808 -5.416 1.00 0.10 O ATOM 1133 CB PRO A 75 4.233 7.024 -2.579 1.00 0.12 C ATOM 1134 CG PRO A 75 4.221 8.434 -3.193 1.00 0.15 C ATOM 1135 CD PRO A 75 5.527 8.622 -3.984 1.00 0.16 C ATOM 0 HA PRO A 75 5.850 5.505 -2.696 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.253 6.557 -2.673 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.463 7.071 -1.515 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.358 8.557 -3.848 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.137 9.189 -2.411 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.337 8.926 -5.013 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.164 9.386 -3.538 1.00 0.16 H new ATOM 1143 N THR A 76 4.606 4.039 -4.170 1.00 0.09 N ATOM 1144 CA THR A 76 3.963 3.116 -5.156 1.00 0.09 C ATOM 1145 C THR A 76 2.867 2.331 -4.453 1.00 0.10 C ATOM 1146 O THR A 76 3.051 1.811 -3.369 1.00 0.12 O ATOM 1147 CB THR A 76 4.994 2.151 -5.749 1.00 0.10 C ATOM 1148 OG1 THR A 76 6.007 2.895 -6.408 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.301 1.219 -6.749 1.00 0.13 C ATOM 0 H THR A 76 4.977 3.585 -3.335 1.00 0.09 H new ATOM 0 HA THR A 76 3.539 3.703 -5.971 1.00 0.09 H new ATOM 0 HB THR A 76 5.443 1.556 -4.954 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.784 2.983 -5.818 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.033 0.531 -7.173 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.523 0.652 -6.239 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.854 1.810 -7.548 1.00 0.13 H new ATOM 1157 N PHE A 77 1.717 2.261 -5.063 1.00 0.10 N ATOM 1158 CA PHE A 77 0.569 1.524 -4.459 1.00 0.10 C ATOM 1159 C PHE A 77 0.298 0.268 -5.283 1.00 0.10 C ATOM 1160 O PHE A 77 0.189 0.324 -6.494 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.676 2.415 -4.488 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.413 3.674 -3.700 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.634 3.704 -2.315 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.051 4.817 -4.360 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.390 4.883 -1.594 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.296 5.995 -3.640 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.075 6.027 -2.257 1.00 0.19 C ATOM 0 H PHE A 77 1.520 2.689 -5.968 1.00 0.10 H new ATOM 0 HA PHE A 77 0.805 1.254 -3.430 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.933 2.665 -5.517 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.528 1.881 -4.067 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.991 2.822 -1.805 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.221 4.792 -5.426 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.561 4.909 -0.528 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.655 6.876 -4.151 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.263 6.934 -1.701 1.00 0.19 H new ATOM 1177 N GLN A 78 0.163 -0.864 -4.638 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.124 -2.134 -5.380 1.00 0.09 C ATOM 1179 C GLN A 78 -1.421 -2.716 -4.858 1.00 0.08 C ATOM 1180 O GLN A 78 -1.703 -2.685 -3.675 1.00 0.09 O ATOM 1181 CB GLN A 78 1.005 -3.144 -5.155 1.00 0.09 C ATOM 1182 CG GLN A 78 2.262 -2.667 -5.880 1.00 0.12 C ATOM 1183 CD GLN A 78 3.367 -3.722 -5.769 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.090 -4.898 -5.642 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.616 -3.345 -5.808 1.00 0.29 N ATOM 0 H GLN A 78 0.239 -0.965 -3.626 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.202 -1.922 -6.446 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.205 -3.251 -4.089 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.709 -4.126 -5.524 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.036 -2.476 -6.929 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.603 -1.725 -5.451 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.848 -2.357 -5.915 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.361 -4.038 -5.732 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.218 -3.241 -5.740 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.521 -3.834 -5.326 1.00 0.07 C ATOM 1196 C PHE A 79 -3.450 -5.345 -5.429 1.00 0.07 C ATOM 1197 O PHE A 79 -3.039 -5.892 -6.432 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.613 -3.314 -6.250 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.775 -1.841 -5.993 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.859 -0.942 -6.544 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.824 -1.376 -5.194 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.990 0.426 -6.300 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.956 -0.006 -4.948 1.00 0.14 C ATOM 1204 CZ PHE A 79 -5.040 0.895 -5.501 1.00 0.12 C ATOM 0 H PHE A 79 -2.023 -3.287 -6.740 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.741 -3.556 -4.295 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.348 -3.492 -7.292 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.550 -3.839 -6.066 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.049 -1.306 -7.159 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.530 -2.073 -4.768 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.283 1.122 -6.727 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.765 0.357 -4.331 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.143 1.953 -5.312 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.865 -6.020 -4.393 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.849 -7.508 -4.388 1.00 0.08 C ATOM 1216 C PHE A 80 -5.247 -8.021 -4.052 1.00 0.09 C ATOM 1217 O PHE A 80 -5.991 -7.392 -3.324 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.842 -8.000 -3.343 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.426 -7.798 -3.832 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.811 -8.791 -4.607 1.00 0.12 C ATOM 1221 CD2 PHE A 80 -0.711 -6.635 -3.489 1.00 0.11 C ATOM 1222 CE1 PHE A 80 0.511 -8.630 -5.037 1.00 0.14 C ATOM 1223 CE2 PHE A 80 0.612 -6.475 -3.927 1.00 0.13 C ATOM 1224 CZ PHE A 80 1.222 -7.472 -4.698 1.00 0.15 C ATOM 0 H PHE A 80 -4.220 -5.595 -3.536 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.555 -7.882 -5.369 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.989 -7.462 -2.407 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.013 -9.056 -3.134 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.359 -9.683 -4.873 1.00 0.12 H new ATOM 0 HD2 PHE A 80 -1.180 -5.868 -2.890 1.00 0.11 H new ATOM 0 HE1 PHE A 80 0.983 -9.399 -5.630 1.00 0.14 H new ATOM 0 HE2 PHE A 80 1.161 -5.581 -3.669 1.00 0.13 H new ATOM 0 HZ PHE A 80 2.242 -7.348 -5.032 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.614 -9.162 -4.571 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.967 -9.719 -4.276 1.00 0.12 C ATOM 1236 C LYS A 81 -6.836 -11.242 -4.266 1.00 0.11 C ATOM 1237 O LYS A 81 -6.307 -11.824 -5.188 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.945 -9.271 -5.376 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.392 -9.390 -4.875 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.385 -9.154 -6.029 1.00 0.73 C ATOM 1241 CE LYS A 81 -10.582 -7.649 -6.256 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.524 -7.436 -7.393 1.00 1.68 N ATOM 0 H LYS A 81 -5.035 -9.733 -5.187 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.345 -9.367 -3.316 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.735 -8.241 -5.663 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.809 -9.884 -6.267 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.554 -10.378 -4.445 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.569 -8.664 -4.081 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -10.013 -9.621 -6.941 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -11.341 -9.623 -5.798 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -10.975 -7.183 -5.352 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -9.624 -7.174 -6.470 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.071 -6.566 -7.233 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -10.985 -7.348 -8.278 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.174 -8.245 -7.462 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.284 -11.892 -3.229 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.145 -13.378 -3.173 1.00 0.13 C ATOM 1258 C LYS A 82 -5.673 -13.743 -3.339 1.00 0.13 C ATOM 1259 O LYS A 82 -5.335 -14.766 -3.903 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.965 -14.040 -4.284 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.439 -13.684 -4.122 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.271 -14.586 -5.034 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.763 -14.268 -4.874 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.317 -15.077 -3.754 1.00 1.22 N ATOM 0 H LYS A 82 -7.738 -11.465 -2.422 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.516 -13.734 -2.212 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.607 -13.709 -5.259 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.837 -15.122 -4.248 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.746 -13.812 -3.084 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.604 -12.637 -4.376 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.970 -14.443 -6.072 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.086 -15.632 -4.790 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.902 -13.205 -4.674 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -12.296 -14.491 -5.798 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.173 -14.616 -3.383 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.558 -16.028 -4.099 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -11.608 -15.152 -2.996 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.794 -12.916 -2.849 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.344 -13.209 -2.970 1.00 0.16 C ATOM 1280 C GLY A 83 -2.899 -13.031 -4.420 1.00 0.16 C ATOM 1281 O GLY A 83 -1.923 -13.616 -4.846 1.00 0.23 O ATOM 0 H GLY A 83 -5.021 -12.046 -2.368 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.774 -12.544 -2.321 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.141 -14.228 -2.640 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.606 -12.225 -5.184 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.227 -12.000 -6.621 1.00 0.15 C ATOM 1287 C GLN A 84 -3.148 -10.498 -6.936 1.00 0.12 C ATOM 1288 O GLN A 84 -4.016 -9.741 -6.574 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.278 -12.651 -7.538 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.178 -14.177 -7.467 1.00 0.33 C ATOM 1291 CD GLN A 84 -2.911 -14.627 -8.195 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -2.636 -15.806 -8.297 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -2.125 -13.724 -8.712 1.00 2.07 N ATOM 0 H GLN A 84 -4.431 -11.712 -4.873 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.248 -12.448 -6.793 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.277 -12.332 -7.241 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.130 -12.318 -8.565 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.152 -14.505 -6.428 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.057 -14.634 -7.923 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.358 -12.735 -8.625 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.277 -14.007 -9.203 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.125 -10.070 -7.645 1.00 0.12 N ATOM 1303 CA LYS A 85 -2.001 -8.614 -7.998 1.00 0.12 C ATOM 1304 C LYS A 85 -3.014 -8.261 -9.082 1.00 0.14 C ATOM 1305 O LYS A 85 -3.121 -8.931 -10.092 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.585 -8.330 -8.519 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.428 -6.833 -8.820 1.00 0.20 C ATOM 1308 CD LYS A 85 1.012 -6.540 -9.278 1.00 0.28 C ATOM 1309 CE LYS A 85 1.229 -7.031 -10.717 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.477 -6.426 -11.266 1.00 1.82 N ATOM 0 H LYS A 85 -1.373 -10.664 -7.994 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.192 -8.012 -7.109 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.153 -8.640 -7.779 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.396 -8.913 -9.421 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -1.134 -6.533 -9.595 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.663 -6.248 -7.931 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.208 -5.469 -9.219 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.719 -7.031 -8.609 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.301 -8.118 -10.735 1.00 1.28 H new ATOM 0 HE3 LYS A 85 0.376 -6.758 -11.338 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 2.624 -6.758 -12.240 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 2.391 -5.390 -11.263 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.287 -6.708 -10.678 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.765 -7.209 -8.867 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.792 -6.780 -9.861 1.00 0.18 C ATOM 1326 C VAL A 86 -4.534 -5.334 -10.293 1.00 0.17 C ATOM 1327 O VAL A 86 -5.354 -4.732 -10.955 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.179 -6.861 -9.221 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.559 -8.324 -8.979 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.155 -6.123 -7.884 1.00 0.26 C ATOM 0 H VAL A 86 -3.708 -6.623 -8.034 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.738 -7.435 -10.731 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.911 -6.406 -9.888 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.548 -8.372 -8.523 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.571 -8.859 -9.929 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.829 -8.784 -8.313 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.140 -6.176 -7.421 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.420 -6.586 -7.226 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -5.888 -5.079 -8.049 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.412 -4.756 -9.939 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.170 -3.346 -10.376 1.00 0.17 C ATOM 1342 C GLY A 87 -2.042 -2.686 -9.585 1.00 0.12 C ATOM 1343 O GLY A 87 -1.665 -3.120 -8.514 1.00 0.17 O ATOM 0 H GLY A 87 -2.672 -5.184 -9.382 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -2.924 -3.333 -11.438 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.085 -2.767 -10.254 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.513 -1.616 -10.122 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.415 -0.882 -9.438 1.00 0.13 C ATOM 1349 C GLU A 88 -0.248 0.492 -10.082 1.00 0.11 C ATOM 1350 O GLU A 88 -0.563 0.693 -11.237 1.00 0.14 O ATOM 1351 CB GLU A 88 0.886 -1.681 -9.561 1.00 0.21 C ATOM 1352 CG GLU A 88 2.076 -0.849 -9.066 1.00 0.58 C ATOM 1353 CD GLU A 88 3.320 -1.739 -9.026 1.00 1.13 C ATOM 1354 OE1 GLU A 88 3.155 -2.948 -9.031 1.00 1.87 O ATOM 1355 OE2 GLU A 88 4.412 -1.199 -8.989 1.00 1.93 O ATOM 0 H GLU A 88 -1.801 -1.218 -11.016 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.657 -0.756 -8.383 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.811 -2.601 -8.981 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.045 -1.971 -10.600 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.242 0.002 -9.727 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.868 -0.447 -8.075 1.00 0.58 H new ATOM 1362 N PHE A 89 0.269 1.431 -9.344 1.00 0.10 N ATOM 1363 CA PHE A 89 0.493 2.788 -9.918 1.00 0.09 C ATOM 1364 C PHE A 89 1.392 3.595 -8.977 1.00 0.10 C ATOM 1365 O PHE A 89 1.492 3.310 -7.802 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.857 3.489 -10.154 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.437 4.039 -8.865 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.921 5.216 -8.312 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.506 3.385 -8.240 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.476 5.742 -7.137 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.056 3.907 -7.062 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.543 5.087 -6.512 1.00 0.14 C ATOM 0 H PHE A 89 0.547 1.320 -8.369 1.00 0.10 H new ATOM 0 HA PHE A 89 0.995 2.706 -10.882 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.725 4.301 -10.869 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.560 2.784 -10.598 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.094 5.720 -8.791 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.907 2.477 -8.667 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.080 6.653 -6.714 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.877 3.398 -6.578 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.970 5.492 -5.606 1.00 0.14 H new ATOM 1382 N SER A 90 2.060 4.594 -9.501 1.00 0.10 N ATOM 1383 CA SER A 90 2.979 5.438 -8.673 1.00 0.10 C ATOM 1384 C SER A 90 2.592 6.895 -8.818 1.00 0.09 C ATOM 1385 O SER A 90 1.906 7.277 -9.745 1.00 0.11 O ATOM 1386 CB SER A 90 4.426 5.278 -9.135 1.00 0.11 C ATOM 1387 OG SER A 90 4.531 5.675 -10.496 1.00 0.12 O ATOM 0 H SER A 90 2.006 4.865 -10.483 1.00 0.10 H new ATOM 0 HA SER A 90 2.894 5.117 -7.635 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.087 5.884 -8.515 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.744 4.242 -9.021 1.00 0.11 H new ATOM 0 HG SER A 90 5.459 5.575 -10.795 1.00 0.12 H new ATOM 1393 N GLY A 91 3.020 7.708 -7.897 1.00 0.09 N ATOM 1394 CA GLY A 91 2.686 9.158 -7.948 1.00 0.09 C ATOM 1395 C GLY A 91 2.023 9.546 -6.641 1.00 0.10 C ATOM 1396 O GLY A 91 1.269 8.784 -6.066 1.00 0.12 O ATOM 0 H GLY A 91 3.594 7.428 -7.101 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.588 9.749 -8.105 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.020 9.364 -8.786 1.00 0.09 H new ATOM 1400 N ALA A 92 2.291 10.718 -6.156 1.00 0.11 N ATOM 1401 CA ALA A 92 1.663 11.136 -4.880 1.00 0.14 C ATOM 1402 C ALA A 92 0.231 11.611 -5.156 1.00 0.13 C ATOM 1403 O ALA A 92 -0.102 12.759 -4.939 1.00 0.17 O ATOM 1404 CB ALA A 92 2.486 12.275 -4.285 1.00 0.18 C ATOM 0 H ALA A 92 2.914 11.403 -6.584 1.00 0.11 H new ATOM 0 HA ALA A 92 1.631 10.302 -4.179 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.038 12.595 -3.345 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.504 11.932 -4.103 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.505 13.113 -4.982 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.621 10.720 -5.616 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.049 11.086 -5.897 1.00 0.14 C ATOM 1412 C ASN A 93 -2.947 10.269 -4.967 1.00 0.13 C ATOM 1413 O ASN A 93 -3.243 9.119 -5.221 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.378 10.754 -7.357 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.755 11.316 -7.727 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.237 11.099 -8.820 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.418 12.028 -6.856 1.00 0.75 N ATOM 0 H ASN A 93 -0.385 9.747 -5.810 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.209 12.151 -5.729 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.617 11.174 -8.014 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.366 9.674 -7.504 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.337 12.400 -7.095 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -4.017 12.213 -5.937 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.374 10.858 -3.886 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.253 10.135 -2.922 1.00 0.15 C ATOM 1426 C LYS A 94 -5.657 9.909 -3.507 1.00 0.15 C ATOM 1427 O LYS A 94 -6.287 8.903 -3.254 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.333 10.953 -1.630 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.712 12.430 -1.922 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.509 13.353 -1.654 1.00 0.24 C ATOM 1431 CE LYS A 94 -3.967 14.807 -1.740 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.840 15.716 -1.375 1.00 1.06 N ATOM 0 H LYS A 94 -3.150 11.818 -3.625 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.829 9.152 -2.716 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.072 10.511 -0.962 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.374 10.916 -1.114 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.034 12.532 -2.958 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.554 12.727 -1.296 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.090 13.148 -0.669 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.720 13.163 -2.382 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.313 15.029 -2.749 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.811 14.972 -1.070 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.158 16.704 -1.435 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.529 15.511 -0.404 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.047 15.567 -2.031 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.146 10.835 -4.285 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.503 10.680 -4.879 1.00 0.15 C ATOM 1448 C GLU A 95 -7.516 9.454 -5.795 1.00 0.15 C ATOM 1449 O GLU A 95 -8.532 8.816 -5.995 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.824 11.929 -5.702 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.791 13.160 -4.793 1.00 0.19 C ATOM 1452 CD GLU A 95 -8.974 13.124 -3.825 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -9.931 12.424 -4.114 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -8.902 13.796 -2.810 1.00 1.55 O ATOM 0 H GLU A 95 -5.661 11.697 -4.536 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.244 10.552 -4.090 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.101 12.041 -6.510 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.806 11.831 -6.164 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.855 13.186 -4.236 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.830 14.068 -5.395 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.392 9.142 -6.368 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.302 7.978 -7.292 1.00 0.15 C ATOM 1463 C LYS A 96 -6.666 6.705 -6.531 1.00 0.14 C ATOM 1464 O LYS A 96 -7.323 5.822 -7.047 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.869 7.904 -7.805 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.749 6.892 -8.947 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.471 7.187 -9.742 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.369 6.233 -10.932 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.132 6.539 -11.702 1.00 1.45 N ATOM 0 H LYS A 96 -5.518 9.650 -6.235 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.990 8.086 -8.131 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.551 8.888 -8.151 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.201 7.621 -6.991 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.720 5.877 -8.550 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.621 6.954 -9.598 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.480 8.219 -10.092 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.598 7.075 -9.099 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.349 5.200 -10.584 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.245 6.337 -11.572 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.059 5.892 -12.513 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.170 7.520 -12.044 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.302 6.419 -11.087 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.262 6.618 -5.296 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.596 5.425 -4.481 1.00 0.13 C ATOM 1485 C LEU A 97 -8.113 5.301 -4.417 1.00 0.14 C ATOM 1486 O LEU A 97 -8.675 4.226 -4.475 1.00 0.15 O ATOM 1487 CB LEU A 97 -6.091 5.646 -3.051 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.563 5.545 -2.986 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.085 6.034 -1.610 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.115 4.086 -3.208 1.00 0.19 C ATOM 0 H LEU A 97 -5.711 7.329 -4.815 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.143 4.535 -4.918 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.410 6.626 -2.697 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.536 4.906 -2.386 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.127 6.165 -3.769 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.999 5.965 -1.557 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.390 7.070 -1.466 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.527 5.414 -0.830 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -3.028 4.028 -3.159 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.547 3.451 -2.435 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.453 3.747 -4.187 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.771 6.412 -4.284 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.261 6.391 -4.179 1.00 0.15 C ATOM 1504 C GLU A 98 -10.877 5.774 -5.433 1.00 0.16 C ATOM 1505 O GLU A 98 -11.794 4.982 -5.354 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.781 7.827 -4.001 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.301 7.817 -3.781 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.816 9.257 -3.703 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -11.994 10.156 -3.638 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -14.022 9.436 -3.708 1.00 2.10 O ATOM 0 H GLU A 98 -8.346 7.338 -4.243 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.545 5.787 -3.318 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.286 8.298 -3.152 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.538 8.422 -4.882 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.794 7.287 -4.596 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.543 7.283 -2.862 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.403 6.136 -6.589 1.00 0.16 N ATOM 1518 CA ALA A 99 -11.000 5.564 -7.828 1.00 0.17 C ATOM 1519 C ALA A 99 -10.603 4.096 -8.011 1.00 0.16 C ATOM 1520 O ALA A 99 -11.420 3.267 -8.359 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.538 6.371 -9.042 1.00 0.19 C ATOM 0 H ALA A 99 -9.638 6.795 -6.732 1.00 0.16 H new ATOM 0 HA ALA A 99 -12.085 5.617 -7.736 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.976 5.950 -9.947 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.857 7.408 -8.933 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.451 6.331 -9.113 1.00 0.19 H new ATOM 1527 N THR A 100 -9.360 3.758 -7.802 1.00 0.16 N ATOM 1528 CA THR A 100 -8.949 2.339 -8.000 1.00 0.16 C ATOM 1529 C THR A 100 -9.690 1.443 -7.006 1.00 0.15 C ATOM 1530 O THR A 100 -10.125 0.359 -7.340 1.00 0.15 O ATOM 1531 CB THR A 100 -7.442 2.198 -7.787 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.761 3.183 -8.552 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.002 0.811 -8.248 1.00 0.20 C ATOM 0 H THR A 100 -8.619 4.394 -7.506 1.00 0.16 H new ATOM 0 HA THR A 100 -9.198 2.037 -9.017 1.00 0.16 H new ATOM 0 HB THR A 100 -7.207 2.331 -6.731 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.781 4.039 -8.075 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.928 0.702 -8.099 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.527 0.051 -7.669 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.236 0.688 -9.305 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.846 1.889 -5.789 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.567 1.057 -4.776 1.00 0.13 C ATOM 1543 C ILE A 101 -11.994 0.848 -5.250 1.00 0.14 C ATOM 1544 O ILE A 101 -12.490 -0.256 -5.295 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.581 1.798 -3.431 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.162 1.818 -2.846 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.526 1.094 -2.451 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.062 2.880 -1.747 1.00 0.16 C ATOM 0 H ILE A 101 -9.508 2.790 -5.451 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.068 0.095 -4.655 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.929 2.819 -3.590 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.914 0.838 -2.439 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.438 2.029 -3.633 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.528 1.628 -1.501 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.535 1.083 -2.863 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.188 0.070 -2.291 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.052 2.886 -1.338 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.290 3.860 -2.166 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.773 2.650 -0.953 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.647 1.905 -5.612 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.039 1.792 -6.105 1.00 0.20 C ATOM 1562 C ASN A 102 -14.047 0.919 -7.356 1.00 0.19 C ATOM 1563 O ASN A 102 -14.984 0.201 -7.633 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.568 3.185 -6.445 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.025 3.081 -6.890 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.321 2.483 -7.904 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.951 3.649 -6.170 1.00 0.55 N ATOM 0 H ASN A 102 -12.273 2.854 -5.588 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.673 1.344 -5.340 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.488 3.838 -5.576 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.966 3.631 -7.236 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.928 3.592 -6.458 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.699 4.151 -5.318 1.00 0.55 H new ATOM 1574 N GLU A 103 -13.009 1.012 -8.133 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.931 0.232 -9.394 1.00 0.18 C ATOM 1576 C GLU A 103 -12.815 -1.267 -9.084 1.00 0.16 C ATOM 1577 O GLU A 103 -13.399 -2.089 -9.760 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.695 0.705 -10.169 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.704 0.129 -11.591 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.352 -1.358 -11.553 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.218 -1.669 -11.229 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -12.222 -2.159 -11.848 1.00 2.21 O ATOM 0 H GLU A 103 -12.200 1.604 -7.945 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.832 0.387 -9.987 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.679 1.794 -10.211 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.790 0.392 -9.649 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.686 0.268 -12.042 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.988 0.665 -12.214 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.053 -1.635 -8.079 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.891 -3.090 -7.747 1.00 0.14 C ATOM 1591 C LEU A 104 -12.764 -3.495 -6.545 1.00 0.13 C ATOM 1592 O LEU A 104 -12.783 -4.650 -6.166 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.428 -3.365 -7.390 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.500 -3.032 -8.567 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -8.046 -3.104 -8.087 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.704 -4.037 -9.712 1.00 0.25 C ATOM 0 H LEU A 104 -11.538 -0.994 -7.476 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.199 -3.668 -8.618 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.145 -2.772 -6.521 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.309 -4.413 -7.114 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.731 -2.031 -8.932 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.377 -2.869 -8.915 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.893 -2.385 -7.282 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.833 -4.109 -7.722 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -9.039 -3.787 -10.538 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.480 -5.043 -9.357 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.738 -3.995 -10.053 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.469 -2.582 -5.924 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.298 -2.985 -4.741 1.00 0.15 C ATOM 1610 C VAL A 105 -15.414 -3.934 -5.192 1.00 0.16 C ATOM 1611 O VAL A 105 -15.999 -3.680 -6.233 1.00 1.08 O ATOM 1612 CB VAL A 105 -14.924 -1.756 -4.058 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.057 -1.178 -4.916 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.489 -2.173 -2.697 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.667 -4.897 -4.485 1.00 1.08 O ATOM 0 H VAL A 105 -13.509 -1.594 -6.176 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.646 -3.487 -4.025 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.155 -0.994 -3.932 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.486 -0.310 -4.415 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.662 -0.878 -5.887 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.829 -1.934 -5.056 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -15.934 -1.307 -2.207 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.250 -2.941 -2.839 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.686 -2.568 -2.075 1.00 0.19 H new ATOM 1683 N LYS B 63 7.078 14.952 -6.125 1.00 0.19 N ATOM 1684 CA LYS B 63 5.918 14.016 -6.025 1.00 0.14 C ATOM 1685 C LYS B 63 6.428 12.576 -5.943 1.00 0.12 C ATOM 1686 O LYS B 63 5.693 11.675 -5.581 1.00 0.12 O ATOM 1687 CB LYS B 63 5.040 14.159 -7.274 1.00 0.17 C ATOM 1688 CG LYS B 63 4.506 15.594 -7.404 1.00 0.20 C ATOM 1689 CD LYS B 63 3.747 16.014 -6.138 1.00 0.40 C ATOM 1690 CE LYS B 63 2.826 17.194 -6.457 1.00 0.35 C ATOM 1691 NZ LYS B 63 3.631 18.308 -7.034 1.00 1.31 N ATOM 0 HA LYS B 63 5.339 14.255 -5.133 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.617 13.899 -8.161 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.206 13.459 -7.220 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.335 16.280 -7.580 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.846 15.663 -8.268 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.162 15.176 -5.758 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.452 16.292 -5.355 1.00 0.40 H new ATOM 0 HE2 LYS B 63 2.053 16.886 -7.161 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.318 17.528 -5.552 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 3.079 19.189 -7.000 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 4.505 18.426 -6.483 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 3.871 18.088 -8.022 1.00 1.31 H new ATOM 1705 N ILE B 64 7.672 12.360 -6.302 1.00 0.11 N ATOM 1706 CA ILE B 64 8.270 10.979 -6.267 1.00 0.11 C ATOM 1707 C ILE B 64 9.618 11.018 -5.519 1.00 0.10 C ATOM 1708 O ILE B 64 10.395 11.937 -5.694 1.00 0.11 O ATOM 1709 CB ILE B 64 8.532 10.493 -7.705 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.212 10.301 -8.473 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.302 9.170 -7.677 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.285 9.320 -7.740 1.00 0.15 C ATOM 0 H ILE B 64 8.309 13.089 -6.622 1.00 0.11 H new ATOM 0 HA ILE B 64 7.577 10.307 -5.761 1.00 0.11 H new ATOM 0 HB ILE B 64 9.124 11.253 -8.216 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.711 11.262 -8.588 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.422 9.928 -9.476 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.483 8.833 -8.698 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.255 9.314 -7.168 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.717 8.420 -7.146 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.360 9.203 -8.304 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.779 8.353 -7.648 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.058 9.707 -6.747 1.00 0.15 H new ATOM 1724 N CYS B 65 9.919 10.014 -4.714 1.00 0.09 N ATOM 1725 CA CYS B 65 11.246 9.986 -4.005 1.00 0.10 C ATOM 1726 C CYS B 65 12.151 9.004 -4.773 1.00 0.10 C ATOM 1727 O CYS B 65 11.756 7.897 -5.075 1.00 0.11 O ATOM 1728 CB CYS B 65 11.106 9.507 -2.542 1.00 0.10 C ATOM 1729 SG CYS B 65 9.738 10.354 -1.696 1.00 0.19 S ATOM 0 H CYS B 65 9.307 9.221 -4.520 1.00 0.09 H new ATOM 0 HA CYS B 65 11.663 10.993 -3.980 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.936 8.430 -2.525 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.037 9.691 -2.006 1.00 0.10 H new ATOM 1734 N SER B 66 13.348 9.409 -5.120 1.00 0.12 N ATOM 1735 CA SER B 66 14.261 8.508 -5.905 1.00 0.14 C ATOM 1736 C SER B 66 14.978 7.491 -4.999 1.00 0.14 C ATOM 1737 O SER B 66 15.358 7.783 -3.886 1.00 0.15 O ATOM 1738 CB SER B 66 15.308 9.366 -6.616 1.00 0.18 C ATOM 1739 OG SER B 66 14.656 10.246 -7.523 1.00 0.20 O ATOM 0 H SER B 66 13.736 10.325 -4.895 1.00 0.12 H new ATOM 0 HA SER B 66 13.657 7.953 -6.623 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.883 9.937 -5.887 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.013 8.730 -7.151 1.00 0.18 H new ATOM 0 HG SER B 66 15.324 10.799 -7.980 1.00 0.20 H new ATOM 1745 N TRP B 67 15.181 6.293 -5.490 1.00 0.15 N ATOM 1746 CA TRP B 67 15.881 5.249 -4.682 1.00 0.16 C ATOM 1747 C TRP B 67 17.387 5.535 -4.683 1.00 0.19 C ATOM 1748 O TRP B 67 18.144 4.948 -3.934 1.00 0.21 O ATOM 1749 CB TRP B 67 15.609 3.870 -5.297 1.00 0.16 C ATOM 1750 CG TRP B 67 14.175 3.525 -5.065 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.136 4.231 -5.546 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.603 2.419 -4.308 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.964 3.633 -5.138 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.201 2.517 -4.369 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.157 1.352 -3.584 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.379 1.598 -3.733 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.332 0.422 -2.945 1.00 0.17 C ATOM 1758 CH2 TRP B 67 11.944 0.548 -3.018 1.00 0.16 C ATOM 0 H TRP B 67 14.890 5.993 -6.420 1.00 0.15 H new ATOM 0 HA TRP B 67 15.514 5.264 -3.656 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.828 3.881 -6.365 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.258 3.119 -4.846 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.209 5.121 -6.153 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.034 3.976 -5.377 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.230 1.249 -3.520 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.305 1.698 -3.793 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.770 -0.397 -2.393 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.309 -0.170 -2.519 1.00 0.16 H new ATOM 1769 N ASN B 68 17.824 6.442 -5.518 1.00 0.23 N ATOM 1770 CA ASN B 68 19.277 6.777 -5.573 1.00 0.27 C ATOM 1771 C ASN B 68 19.753 7.119 -4.161 1.00 0.26 C ATOM 1772 O ASN B 68 20.938 7.235 -3.903 1.00 0.30 O ATOM 1773 CB ASN B 68 19.491 7.992 -6.487 1.00 0.34 C ATOM 1774 CG ASN B 68 19.211 7.599 -7.942 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.408 8.390 -8.845 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.756 6.405 -8.210 1.00 0.40 N ATOM 0 H ASN B 68 17.235 6.966 -6.165 1.00 0.23 H new ATOM 0 HA ASN B 68 19.838 5.929 -5.965 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.831 8.806 -6.187 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.513 8.357 -6.389 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.566 6.136 -9.176 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.590 5.741 -7.454 1.00 0.40 H new