USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ -170:sc= 0.202 (180deg=-0.532) USER MOD Set 1.2: A 51 ASN : amide:sc= -0.0272 K(o=0.17,f=-4.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= 0.0106 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -156:sc= -2.27! (180deg=-2.95!) USER MOD Single : A 4 GLN :FLIP amide:sc=-0.00498 F(o=-1.1!,f=-0.005) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= -1.52! (180deg=-2.15!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0132 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+ -128:sc= -0.962 (180deg=-2.62!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.14 F(o=-2.6!,f=-1.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 99:sc= 0.281 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 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 88:sc= 0.422 USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= -0.183 (180deg=-0.91) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0382 USER MOD Single : A 76 THR OG1 : rot 80:sc= 0.175! USER MOD Single : A 78 GLN :FLIP amide:sc= 0.109! F(o=-1.6,f=0.11!) USER MOD Single : A 81 LYS NZ :NH3+ 179:sc= 1.12 (180deg=1.11) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -5.89! C(o=-10!,f=-5.9!) USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= -0.243 (180deg=-1.41!) USER MOD Single : A 90 SER OG : rot 180:sc=-0.00346 USER MOD Single : A 93 ASN :FLIP amide:sc= -1.13 F(o=-4.9!,f=-1.1) USER MOD Single : A 94 LYS NZ :NH3+ -114:sc= 0.41 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 75:sc= 0.339 USER MOD Single : A 102 ASN : amide:sc= -0.451 K(o=-0.45,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.295 -3.249 8.052 1.00 1.14 N ATOM 2 CA MET A 1 -7.349 -2.764 9.096 1.00 0.47 C ATOM 3 C MET A 1 -6.022 -2.376 8.436 1.00 0.44 C ATOM 4 O MET A 1 -5.995 -1.748 7.396 1.00 0.82 O ATOM 5 CB MET A 1 -7.113 -3.878 10.127 1.00 1.26 C ATOM 6 CG MET A 1 -6.598 -3.277 11.440 1.00 1.29 C ATOM 7 SD MET A 1 -7.988 -2.583 12.370 1.00 2.48 S ATOM 8 CE MET A 1 -7.316 -2.867 14.026 1.00 2.95 C ATOM 0 H1 MET A 1 -9.256 -2.918 8.273 1.00 1.14 H new ATOM 0 H2 MET A 1 -8.007 -2.879 7.124 1.00 1.14 H new ATOM 0 H3 MET A 1 -8.284 -4.289 8.029 1.00 1.14 H new ATOM 0 HA MET A 1 -7.769 -1.893 9.599 1.00 0.47 H new ATOM 0 HB2 MET A 1 -8.041 -4.422 10.306 1.00 1.26 H new ATOM 0 HB3 MET A 1 -6.392 -4.597 9.739 1.00 1.26 H new ATOM 0 HG2 MET A 1 -6.097 -4.043 12.032 1.00 1.29 H new ATOM 0 HG3 MET A 1 -5.861 -2.501 11.233 1.00 1.29 H new ATOM 0 HE1 MET A 1 -8.024 -2.507 14.773 1.00 2.95 H new ATOM 0 HE2 MET A 1 -7.146 -3.934 14.172 1.00 2.95 H new ATOM 0 HE3 MET A 1 -6.373 -2.332 14.133 1.00 2.95 H new ATOM 20 N VAL A 2 -4.920 -2.746 9.033 1.00 0.27 N ATOM 21 CA VAL A 2 -3.590 -2.405 8.443 1.00 0.30 C ATOM 22 C VAL A 2 -2.599 -3.529 8.752 1.00 0.32 C ATOM 23 O VAL A 2 -2.788 -4.299 9.673 1.00 0.57 O ATOM 24 CB VAL A 2 -3.084 -1.097 9.055 1.00 0.34 C ATOM 25 CG1 VAL A 2 -1.819 -0.644 8.322 1.00 0.16 C ATOM 26 CG2 VAL A 2 -4.164 -0.020 8.918 1.00 0.54 C ATOM 0 H VAL A 2 -4.883 -3.271 9.907 1.00 0.27 H new ATOM 0 HA VAL A 2 -3.686 -2.288 7.364 1.00 0.30 H new ATOM 0 HB VAL A 2 -2.856 -1.254 10.109 1.00 0.34 H new ATOM 0 HG11 VAL A 2 -1.459 0.288 8.759 1.00 0.16 H new ATOM 0 HG12 VAL A 2 -1.049 -1.410 8.417 1.00 0.16 H new ATOM 0 HG13 VAL A 2 -2.046 -0.487 7.268 1.00 0.16 H new ATOM 0 HG21 VAL A 2 -3.805 0.913 9.354 1.00 0.54 H new ATOM 0 HG22 VAL A 2 -4.391 0.136 7.863 1.00 0.54 H new ATOM 0 HG23 VAL A 2 -5.066 -0.341 9.440 1.00 0.54 H new ATOM 36 N LYS A 3 -1.544 -3.634 7.988 1.00 0.39 N ATOM 37 CA LYS A 3 -0.544 -4.714 8.239 1.00 0.38 C ATOM 38 C LYS A 3 0.835 -4.259 7.757 1.00 0.38 C ATOM 39 O LYS A 3 1.052 -4.034 6.583 1.00 0.40 O ATOM 40 CB LYS A 3 -0.957 -5.977 7.480 1.00 0.37 C ATOM 41 CG LYS A 3 -0.023 -7.128 7.856 1.00 0.36 C ATOM 42 CD LYS A 3 -0.608 -8.447 7.349 1.00 1.13 C ATOM 43 CE LYS A 3 0.298 -9.604 7.772 1.00 1.09 C ATOM 44 NZ LYS A 3 1.687 -9.347 7.301 1.00 2.68 N ATOM 0 H LYS A 3 -1.331 -3.020 7.202 1.00 0.39 H new ATOM 0 HA LYS A 3 -0.502 -4.927 9.307 1.00 0.38 H new ATOM 0 HB2 LYS A 3 -1.988 -6.238 7.721 1.00 0.37 H new ATOM 0 HB3 LYS A 3 -0.916 -5.798 6.406 1.00 0.37 H new ATOM 0 HG2 LYS A 3 0.964 -6.966 7.423 1.00 0.36 H new ATOM 0 HG3 LYS A 3 0.106 -7.167 8.938 1.00 0.36 H new ATOM 0 HD2 LYS A 3 -1.611 -8.591 7.751 1.00 1.13 H new ATOM 0 HD3 LYS A 3 -0.701 -8.422 6.263 1.00 1.13 H new ATOM 0 HE2 LYS A 3 0.285 -9.712 8.857 1.00 1.09 H new ATOM 0 HE3 LYS A 3 -0.071 -10.540 7.354 1.00 1.09 H new ATOM 0 HZ1 LYS A 3 2.196 -10.250 7.213 1.00 2.68 H new ATOM 0 HZ2 LYS A 3 1.658 -8.874 6.375 1.00 2.68 H new ATOM 0 HZ3 LYS A 3 2.179 -8.738 7.986 1.00 2.68 H new ATOM 58 N GLN A 4 1.771 -4.123 8.657 1.00 0.44 N ATOM 59 CA GLN A 4 3.139 -3.686 8.256 1.00 0.45 C ATOM 60 C GLN A 4 3.915 -4.885 7.702 1.00 0.45 C ATOM 61 O GLN A 4 4.054 -5.901 8.354 1.00 0.41 O ATOM 62 CB GLN A 4 3.866 -3.112 9.480 1.00 0.45 C ATOM 63 CG GLN A 4 5.361 -2.939 9.176 1.00 0.36 C ATOM 64 CD GLN A 4 5.984 -1.967 10.180 1.00 0.76 C ATOM 65 OE1 GLN A 4 5.313 -1.630 11.248 1.00 0.70 O flip ATOM 66 NE2 GLN A 4 7.095 -1.509 9.992 1.00 2.15 N flip ATOM 0 H GLN A 4 1.647 -4.296 9.655 1.00 0.44 H new ATOM 0 HA GLN A 4 3.070 -2.918 7.485 1.00 0.45 H new ATOM 0 HB2 GLN A 4 3.430 -2.151 9.754 1.00 0.45 H new ATOM 0 HB3 GLN A 4 3.736 -3.776 10.334 1.00 0.45 H new ATOM 0 HG2 GLN A 4 5.866 -3.903 9.228 1.00 0.36 H new ATOM 0 HG3 GLN A 4 5.494 -2.564 8.161 1.00 0.36 H new ATOM 0 HE21 GLN A 4 7.620 -1.771 9.158 1.00 2.15 H new ATOM 0 HE22 GLN A 4 7.501 -0.863 10.668 1.00 2.15 H new ATOM 75 N ILE A 5 4.429 -4.771 6.507 1.00 0.50 N ATOM 76 CA ILE A 5 5.207 -5.899 5.913 1.00 0.50 C ATOM 77 C ILE A 5 6.676 -5.747 6.306 1.00 0.52 C ATOM 78 O ILE A 5 7.353 -4.836 5.874 1.00 0.59 O ATOM 79 CB ILE A 5 5.081 -5.856 4.386 1.00 0.42 C ATOM 80 CG1 ILE A 5 3.602 -5.683 3.976 1.00 0.39 C ATOM 81 CG2 ILE A 5 5.659 -7.143 3.783 1.00 0.39 C ATOM 82 CD1 ILE A 5 2.684 -6.588 4.813 1.00 0.50 C ATOM 0 H ILE A 5 4.344 -3.945 5.915 1.00 0.50 H new ATOM 0 HA ILE A 5 4.821 -6.850 6.281 1.00 0.50 H new ATOM 0 HB ILE A 5 5.644 -5.004 4.005 1.00 0.42 H new ATOM 0 HG12 ILE A 5 3.306 -4.642 4.104 1.00 0.39 H new ATOM 0 HG13 ILE A 5 3.485 -5.920 2.919 1.00 0.39 H new ATOM 0 HG21 ILE A 5 5.568 -7.109 2.697 1.00 0.39 H new ATOM 0 HG22 ILE A 5 6.710 -7.233 4.056 1.00 0.39 H new ATOM 0 HG23 ILE A 5 5.110 -8.003 4.167 1.00 0.39 H new ATOM 0 HD11 ILE A 5 1.649 -6.444 4.502 1.00 0.50 H new ATOM 0 HD12 ILE A 5 2.966 -7.630 4.664 1.00 0.50 H new ATOM 0 HD13 ILE A 5 2.784 -6.332 5.868 1.00 0.50 H new ATOM 94 N GLU A 6 7.176 -6.629 7.131 1.00 0.52 N ATOM 95 CA GLU A 6 8.602 -6.530 7.562 1.00 0.56 C ATOM 96 C GLU A 6 9.496 -7.300 6.585 1.00 0.52 C ATOM 97 O GLU A 6 10.690 -7.085 6.525 1.00 0.62 O ATOM 98 CB GLU A 6 8.754 -7.119 8.969 1.00 0.67 C ATOM 99 CG GLU A 6 7.569 -6.695 9.844 1.00 1.00 C ATOM 100 CD GLU A 6 6.337 -7.543 9.511 1.00 1.01 C ATOM 101 OE1 GLU A 6 6.492 -8.546 8.832 1.00 0.96 O ATOM 102 OE2 GLU A 6 5.257 -7.175 9.943 1.00 1.95 O ATOM 0 H GLU A 6 6.658 -7.414 7.525 1.00 0.52 H new ATOM 0 HA GLU A 6 8.901 -5.482 7.571 1.00 0.56 H new ATOM 0 HB2 GLU A 6 8.805 -8.206 8.914 1.00 0.67 H new ATOM 0 HB3 GLU A 6 9.688 -6.778 9.416 1.00 0.67 H new ATOM 0 HG2 GLU A 6 7.825 -6.810 10.897 1.00 1.00 H new ATOM 0 HG3 GLU A 6 7.348 -5.640 9.683 1.00 1.00 H new ATOM 109 N SER A 7 8.934 -8.196 5.820 1.00 0.44 N ATOM 110 CA SER A 7 9.763 -8.974 4.855 1.00 0.48 C ATOM 111 C SER A 7 8.872 -9.553 3.756 1.00 0.34 C ATOM 112 O SER A 7 7.669 -9.644 3.898 1.00 0.32 O ATOM 113 CB SER A 7 10.469 -10.113 5.591 1.00 0.52 C ATOM 114 OG SER A 7 9.539 -10.769 6.442 1.00 0.33 O ATOM 0 H SER A 7 7.940 -8.423 5.821 1.00 0.44 H new ATOM 0 HA SER A 7 10.505 -8.314 4.406 1.00 0.48 H new ATOM 0 HB2 SER A 7 10.886 -10.821 4.875 1.00 0.52 H new ATOM 0 HB3 SER A 7 11.302 -9.723 6.176 1.00 0.52 H new ATOM 0 HG SER A 7 9.988 -11.501 6.914 1.00 0.33 H new ATOM 120 N LYS A 8 9.458 -9.947 2.658 1.00 0.30 N ATOM 121 CA LYS A 8 8.655 -10.522 1.544 1.00 0.30 C ATOM 122 C LYS A 8 7.798 -11.674 2.072 1.00 0.47 C ATOM 123 O LYS A 8 6.773 -12.004 1.512 1.00 0.50 O ATOM 124 CB LYS A 8 9.597 -11.038 0.456 1.00 0.45 C ATOM 125 CG LYS A 8 8.802 -11.324 -0.824 1.00 0.58 C ATOM 126 CD LYS A 8 9.770 -11.593 -1.979 1.00 0.65 C ATOM 127 CE LYS A 8 10.702 -12.752 -1.620 1.00 0.81 C ATOM 128 NZ LYS A 8 9.940 -13.804 -0.891 1.00 2.29 N ATOM 0 H LYS A 8 10.462 -9.895 2.485 1.00 0.30 H new ATOM 0 HA LYS A 8 8.005 -9.753 1.127 1.00 0.30 H new ATOM 0 HB2 LYS A 8 10.375 -10.301 0.255 1.00 0.45 H new ATOM 0 HB3 LYS A 8 10.097 -11.945 0.795 1.00 0.45 H new ATOM 0 HG2 LYS A 8 8.150 -12.184 -0.675 1.00 0.58 H new ATOM 0 HG3 LYS A 8 8.161 -10.476 -1.063 1.00 0.58 H new ATOM 0 HD2 LYS A 8 9.212 -11.831 -2.884 1.00 0.65 H new ATOM 0 HD3 LYS A 8 10.354 -10.698 -2.191 1.00 0.65 H new ATOM 0 HE2 LYS A 8 11.143 -13.170 -2.525 1.00 0.81 H new ATOM 0 HE3 LYS A 8 11.524 -12.392 -1.002 1.00 0.81 H new ATOM 0 HZ1 LYS A 8 10.455 -14.706 -0.945 1.00 2.29 H new ATOM 0 HZ2 LYS A 8 9.831 -13.526 0.105 1.00 2.29 H new ATOM 0 HZ3 LYS A 8 9.001 -13.915 -1.324 1.00 2.29 H new ATOM 142 N THR A 9 8.208 -12.289 3.145 1.00 0.62 N ATOM 143 CA THR A 9 7.409 -13.417 3.701 1.00 0.84 C ATOM 144 C THR A 9 6.005 -12.916 4.042 1.00 0.84 C ATOM 145 O THR A 9 5.015 -13.448 3.580 1.00 0.95 O ATOM 146 CB THR A 9 8.085 -13.945 4.969 1.00 1.00 C ATOM 147 OG1 THR A 9 9.461 -14.184 4.706 1.00 1.01 O ATOM 148 CG2 THR A 9 7.412 -15.247 5.403 1.00 1.23 C ATOM 0 H THR A 9 9.058 -12.061 3.660 1.00 0.62 H new ATOM 0 HA THR A 9 7.344 -14.219 2.966 1.00 0.84 H new ATOM 0 HB THR A 9 7.991 -13.207 5.766 1.00 1.00 H new ATOM 0 HG1 THR A 9 9.896 -14.520 5.517 1.00 1.01 H new ATOM 0 HG21 THR A 9 7.894 -15.622 6.306 1.00 1.23 H new ATOM 0 HG22 THR A 9 6.357 -15.062 5.605 1.00 1.23 H new ATOM 0 HG23 THR A 9 7.504 -15.987 4.608 1.00 1.23 H new ATOM 156 N ALA A 10 5.912 -11.896 4.849 1.00 0.76 N ATOM 157 CA ALA A 10 4.575 -11.356 5.223 1.00 0.81 C ATOM 158 C ALA A 10 3.870 -10.808 3.976 1.00 0.63 C ATOM 159 O ALA A 10 2.661 -10.697 3.935 1.00 0.65 O ATOM 160 CB ALA A 10 4.756 -10.233 6.250 1.00 0.87 C ATOM 0 H ALA A 10 6.707 -11.412 5.267 1.00 0.76 H new ATOM 0 HA ALA A 10 3.967 -12.152 5.654 1.00 0.81 H new ATOM 0 HB1 ALA A 10 3.781 -9.833 6.528 1.00 0.87 H new ATOM 0 HB2 ALA A 10 5.253 -10.627 7.137 1.00 0.87 H new ATOM 0 HB3 ALA A 10 5.364 -9.438 5.817 1.00 0.87 H new ATOM 166 N PHE A 11 4.616 -10.457 2.962 1.00 0.46 N ATOM 167 CA PHE A 11 3.986 -9.909 1.725 1.00 0.31 C ATOM 168 C PHE A 11 3.069 -10.961 1.092 1.00 0.29 C ATOM 169 O PHE A 11 1.876 -10.765 0.972 1.00 0.20 O ATOM 170 CB PHE A 11 5.075 -9.520 0.723 1.00 0.24 C ATOM 171 CG PHE A 11 4.461 -8.720 -0.404 1.00 0.26 C ATOM 172 CD1 PHE A 11 3.987 -7.415 -0.164 1.00 0.40 C ATOM 173 CD2 PHE A 11 4.363 -9.277 -1.696 1.00 0.28 C ATOM 174 CE1 PHE A 11 3.415 -6.669 -1.212 1.00 0.51 C ATOM 175 CE2 PHE A 11 3.792 -8.529 -2.743 1.00 0.43 C ATOM 176 CZ PHE A 11 3.319 -7.226 -2.502 1.00 0.53 C ATOM 0 H PHE A 11 5.633 -10.526 2.937 1.00 0.46 H new ATOM 0 HA PHE A 11 3.397 -9.030 1.988 1.00 0.31 H new ATOM 0 HB2 PHE A 11 5.849 -8.934 1.220 1.00 0.24 H new ATOM 0 HB3 PHE A 11 5.557 -10.414 0.328 1.00 0.24 H new ATOM 0 HD1 PHE A 11 4.063 -6.987 0.825 1.00 0.40 H new ATOM 0 HD2 PHE A 11 4.726 -10.277 -1.882 1.00 0.28 H new ATOM 0 HE1 PHE A 11 3.050 -5.670 -1.027 1.00 0.51 H new ATOM 0 HE2 PHE A 11 3.717 -8.956 -3.732 1.00 0.43 H new ATOM 0 HZ PHE A 11 2.882 -6.653 -3.306 1.00 0.53 H new ATOM 186 N GLN A 12 3.618 -12.070 0.674 1.00 0.48 N ATOM 187 CA GLN A 12 2.775 -13.123 0.038 1.00 0.61 C ATOM 188 C GLN A 12 1.743 -13.639 1.048 1.00 0.65 C ATOM 189 O GLN A 12 0.584 -13.807 0.729 1.00 0.74 O ATOM 190 CB GLN A 12 3.668 -14.278 -0.442 1.00 0.85 C ATOM 191 CG GLN A 12 4.811 -14.497 0.552 1.00 1.26 C ATOM 192 CD GLN A 12 5.477 -15.846 0.275 1.00 1.73 C ATOM 193 OE1 GLN A 12 4.906 -16.885 0.543 1.00 2.80 O ATOM 194 NE2 GLN A 12 6.671 -15.875 -0.251 1.00 1.39 N ATOM 0 H GLN A 12 4.611 -12.292 0.745 1.00 0.48 H new ATOM 0 HA GLN A 12 2.250 -12.700 -0.819 1.00 0.61 H new ATOM 0 HB2 GLN A 12 3.078 -15.190 -0.539 1.00 0.85 H new ATOM 0 HB3 GLN A 12 4.071 -14.052 -1.429 1.00 0.85 H new ATOM 0 HG2 GLN A 12 5.542 -13.694 0.464 1.00 1.26 H new ATOM 0 HG3 GLN A 12 4.429 -14.471 1.573 1.00 1.26 H new ATOM 0 HE21 GLN A 12 7.150 -15.003 -0.476 1.00 1.39 H new ATOM 0 HE22 GLN A 12 7.125 -16.769 -0.437 1.00 1.39 H new ATOM 203 N GLU A 13 2.151 -13.890 2.261 1.00 0.61 N ATOM 204 CA GLU A 13 1.184 -14.391 3.278 1.00 0.64 C ATOM 205 C GLU A 13 0.071 -13.357 3.473 1.00 0.48 C ATOM 206 O GLU A 13 -1.079 -13.697 3.662 1.00 0.45 O ATOM 207 CB GLU A 13 1.908 -14.618 4.606 1.00 0.76 C ATOM 208 CG GLU A 13 2.972 -15.702 4.428 1.00 1.40 C ATOM 209 CD GLU A 13 3.705 -15.922 5.752 1.00 2.32 C ATOM 210 OE1 GLU A 13 4.018 -14.938 6.403 1.00 2.28 O ATOM 211 OE2 GLU A 13 3.943 -17.069 6.093 1.00 3.27 O ATOM 0 H GLU A 13 3.109 -13.771 2.591 1.00 0.61 H new ATOM 0 HA GLU A 13 0.753 -15.332 2.937 1.00 0.64 H new ATOM 0 HB2 GLU A 13 2.371 -13.691 4.943 1.00 0.76 H new ATOM 0 HB3 GLU A 13 1.195 -14.916 5.375 1.00 0.76 H new ATOM 0 HG2 GLU A 13 2.507 -16.631 4.099 1.00 1.40 H new ATOM 0 HG3 GLU A 13 3.680 -15.408 3.653 1.00 1.40 H new ATOM 218 N ALA A 14 0.408 -12.096 3.430 1.00 0.41 N ATOM 219 CA ALA A 14 -0.626 -11.040 3.614 1.00 0.34 C ATOM 220 C ALA A 14 -1.552 -11.004 2.395 1.00 0.30 C ATOM 221 O ALA A 14 -2.731 -10.738 2.508 1.00 0.36 O ATOM 222 CB ALA A 14 0.058 -9.680 3.773 1.00 0.37 C ATOM 0 H ALA A 14 1.356 -11.752 3.275 1.00 0.41 H new ATOM 0 HA ALA A 14 -1.212 -11.262 4.506 1.00 0.34 H new ATOM 0 HB1 ALA A 14 -0.698 -8.906 3.908 1.00 0.37 H new ATOM 0 HB2 ALA A 14 0.714 -9.702 4.643 1.00 0.37 H new ATOM 0 HB3 ALA A 14 0.646 -9.462 2.881 1.00 0.37 H new ATOM 228 N LEU A 15 -1.026 -11.266 1.228 1.00 0.29 N ATOM 229 CA LEU A 15 -1.879 -11.243 0.007 1.00 0.38 C ATOM 230 C LEU A 15 -2.854 -12.424 0.046 1.00 0.44 C ATOM 231 O LEU A 15 -4.037 -12.271 -0.186 1.00 0.58 O ATOM 232 CB LEU A 15 -0.988 -11.348 -1.242 1.00 0.41 C ATOM 233 CG LEU A 15 -0.366 -9.976 -1.572 1.00 0.39 C ATOM 234 CD1 LEU A 15 0.878 -10.174 -2.443 1.00 0.39 C ATOM 235 CD2 LEU A 15 -1.369 -9.100 -2.342 1.00 0.47 C ATOM 0 H LEU A 15 -0.045 -11.494 1.069 1.00 0.29 H new ATOM 0 HA LEU A 15 -2.442 -10.310 -0.029 1.00 0.38 H new ATOM 0 HB2 LEU A 15 -0.199 -12.082 -1.074 1.00 0.41 H new ATOM 0 HB3 LEU A 15 -1.577 -11.701 -2.089 1.00 0.41 H new ATOM 0 HG LEU A 15 -0.100 -9.484 -0.636 1.00 0.39 H new ATOM 0 HD11 LEU A 15 1.317 -9.204 -2.676 1.00 0.39 H new ATOM 0 HD12 LEU A 15 1.606 -10.782 -1.905 1.00 0.39 H new ATOM 0 HD13 LEU A 15 0.598 -10.677 -3.368 1.00 0.39 H new ATOM 0 HD21 LEU A 15 -0.913 -8.136 -2.566 1.00 0.47 H new ATOM 0 HD22 LEU A 15 -1.646 -9.596 -3.272 1.00 0.47 H new ATOM 0 HD23 LEU A 15 -2.260 -8.947 -1.734 1.00 0.47 H new ATOM 247 N ASP A 16 -2.369 -13.598 0.337 1.00 0.41 N ATOM 248 CA ASP A 16 -3.271 -14.783 0.390 1.00 0.52 C ATOM 249 C ASP A 16 -4.220 -14.648 1.583 1.00 0.40 C ATOM 250 O ASP A 16 -5.367 -15.045 1.524 1.00 0.37 O ATOM 251 CB ASP A 16 -2.435 -16.055 0.545 1.00 0.69 C ATOM 252 CG ASP A 16 -3.357 -17.276 0.542 1.00 0.52 C ATOM 253 OD1 ASP A 16 -4.561 -17.085 0.604 1.00 1.33 O ATOM 254 OD2 ASP A 16 -2.843 -18.381 0.479 1.00 0.63 O ATOM 0 H ASP A 16 -1.388 -13.789 0.540 1.00 0.41 H new ATOM 0 HA ASP A 16 -3.850 -14.840 -0.531 1.00 0.52 H new ATOM 0 HB2 ASP A 16 -1.713 -16.129 -0.268 1.00 0.69 H new ATOM 0 HB3 ASP A 16 -1.866 -16.018 1.474 1.00 0.69 H new ATOM 259 N ALA A 17 -3.751 -14.093 2.667 1.00 0.36 N ATOM 260 CA ALA A 17 -4.626 -13.934 3.862 1.00 0.33 C ATOM 261 C ALA A 17 -5.693 -12.876 3.579 1.00 0.34 C ATOM 262 O ALA A 17 -6.782 -12.920 4.116 1.00 0.39 O ATOM 263 CB ALA A 17 -3.779 -13.496 5.059 1.00 0.44 C ATOM 0 H ALA A 17 -2.799 -13.743 2.776 1.00 0.36 H new ATOM 0 HA ALA A 17 -5.109 -14.885 4.086 1.00 0.33 H new ATOM 0 HB1 ALA A 17 -4.418 -13.379 5.934 1.00 0.44 H new ATOM 0 HB2 ALA A 17 -3.019 -14.251 5.263 1.00 0.44 H new ATOM 0 HB3 ALA A 17 -3.295 -12.546 4.834 1.00 0.44 H new ATOM 269 N ALA A 18 -5.392 -11.923 2.739 1.00 0.38 N ATOM 270 CA ALA A 18 -6.391 -10.864 2.423 1.00 0.52 C ATOM 271 C ALA A 18 -7.620 -11.499 1.771 1.00 0.64 C ATOM 272 O ALA A 18 -8.714 -10.976 1.843 1.00 0.89 O ATOM 273 CB ALA A 18 -5.772 -9.847 1.462 1.00 0.50 C ATOM 0 H ALA A 18 -4.497 -11.833 2.258 1.00 0.38 H new ATOM 0 HA ALA A 18 -6.688 -10.360 3.343 1.00 0.52 H new ATOM 0 HB1 ALA A 18 -6.503 -9.073 1.231 1.00 0.50 H new ATOM 0 HB2 ALA A 18 -4.897 -9.393 1.927 1.00 0.50 H new ATOM 0 HB3 ALA A 18 -5.474 -10.350 0.542 1.00 0.50 H new ATOM 279 N GLY A 19 -7.450 -12.625 1.132 1.00 0.54 N ATOM 280 CA GLY A 19 -8.610 -13.292 0.476 1.00 0.67 C ATOM 281 C GLY A 19 -8.896 -12.619 -0.868 1.00 0.53 C ATOM 282 O GLY A 19 -8.029 -12.510 -1.712 1.00 0.45 O ATOM 0 H GLY A 19 -6.558 -13.111 1.036 1.00 0.54 H new ATOM 0 HA2 GLY A 19 -8.397 -14.350 0.326 1.00 0.67 H new ATOM 0 HA3 GLY A 19 -9.488 -13.232 1.119 1.00 0.67 H new ATOM 286 N ASP A 20 -10.110 -12.166 -1.068 1.00 0.51 N ATOM 287 CA ASP A 20 -10.478 -11.491 -2.355 1.00 0.38 C ATOM 288 C ASP A 20 -10.769 -10.014 -2.090 1.00 0.31 C ATOM 289 O ASP A 20 -11.295 -9.314 -2.933 1.00 0.23 O ATOM 290 CB ASP A 20 -11.730 -12.156 -2.932 1.00 0.41 C ATOM 291 CG ASP A 20 -11.519 -13.670 -2.998 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.657 -14.312 -1.970 1.00 2.31 O ATOM 293 OD2 ASP A 20 -11.225 -14.161 -4.075 1.00 1.79 O ATOM 0 H ASP A 20 -10.869 -12.235 -0.390 1.00 0.51 H new ATOM 0 HA ASP A 20 -9.654 -11.579 -3.063 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -12.596 -11.925 -2.311 1.00 0.41 H new ATOM 0 HB3 ASP A 20 -11.937 -11.763 -3.927 1.00 0.41 H new ATOM 298 N LYS A 21 -10.428 -9.529 -0.927 1.00 0.42 N ATOM 299 CA LYS A 21 -10.683 -8.095 -0.616 1.00 0.45 C ATOM 300 C LYS A 21 -9.641 -7.237 -1.337 1.00 0.36 C ATOM 301 O LYS A 21 -8.597 -7.716 -1.732 1.00 0.33 O ATOM 302 CB LYS A 21 -10.576 -7.872 0.899 1.00 0.64 C ATOM 303 CG LYS A 21 -11.862 -8.345 1.582 1.00 0.47 C ATOM 304 CD LYS A 21 -11.705 -8.237 3.099 1.00 0.38 C ATOM 305 CE LYS A 21 -12.934 -8.838 3.784 1.00 0.58 C ATOM 306 NZ LYS A 21 -14.156 -8.118 3.328 1.00 1.26 N ATOM 0 H LYS A 21 -9.984 -10.064 -0.180 1.00 0.42 H new ATOM 0 HA LYS A 21 -11.683 -7.816 -0.949 1.00 0.45 H new ATOM 0 HB2 LYS A 21 -9.720 -8.417 1.297 1.00 0.64 H new ATOM 0 HB3 LYS A 21 -10.408 -6.816 1.110 1.00 0.64 H new ATOM 0 HG2 LYS A 21 -12.706 -7.741 1.249 1.00 0.47 H new ATOM 0 HG3 LYS A 21 -12.077 -9.376 1.301 1.00 0.47 H new ATOM 0 HD2 LYS A 21 -10.804 -8.760 3.420 1.00 0.38 H new ATOM 0 HD3 LYS A 21 -11.588 -7.193 3.390 1.00 0.38 H new ATOM 0 HE2 LYS A 21 -13.014 -9.899 3.547 1.00 0.58 H new ATOM 0 HE3 LYS A 21 -12.835 -8.760 4.867 1.00 0.58 H new ATOM 0 HZ1 LYS A 21 -14.967 -8.406 3.912 1.00 1.26 H new ATOM 0 HZ2 LYS A 21 -14.009 -7.093 3.420 1.00 1.26 H new ATOM 0 HZ3 LYS A 21 -14.346 -8.352 2.333 1.00 1.26 H new ATOM 320 N LEU A 22 -9.915 -5.974 -1.515 1.00 0.34 N ATOM 321 CA LEU A 22 -8.934 -5.097 -2.213 1.00 0.25 C ATOM 322 C LEU A 22 -7.645 -5.044 -1.382 1.00 0.18 C ATOM 323 O LEU A 22 -7.657 -5.280 -0.190 1.00 0.14 O ATOM 324 CB LEU A 22 -9.546 -3.680 -2.373 1.00 0.28 C ATOM 325 CG LEU A 22 -9.549 -3.238 -3.849 1.00 1.40 C ATOM 326 CD1 LEU A 22 -10.260 -1.883 -3.969 1.00 2.04 C ATOM 327 CD2 LEU A 22 -8.104 -3.105 -4.365 1.00 1.78 C ATOM 0 H LEU A 22 -10.772 -5.513 -1.209 1.00 0.34 H new ATOM 0 HA LEU A 22 -8.701 -5.489 -3.203 1.00 0.25 H new ATOM 0 HB2 LEU A 22 -10.565 -3.676 -1.987 1.00 0.28 H new ATOM 0 HB3 LEU A 22 -8.977 -2.966 -1.778 1.00 0.28 H new ATOM 0 HG LEU A 22 -10.072 -3.986 -4.446 1.00 1.40 H new ATOM 0 HD11 LEU A 22 -10.265 -1.566 -5.012 1.00 2.04 H new ATOM 0 HD12 LEU A 22 -11.286 -1.978 -3.614 1.00 2.04 H new ATOM 0 HD13 LEU A 22 -9.735 -1.142 -3.367 1.00 2.04 H new ATOM 0 HD21 LEU A 22 -8.118 -2.792 -5.409 1.00 1.78 H new ATOM 0 HD22 LEU A 22 -7.572 -2.362 -3.771 1.00 1.78 H new ATOM 0 HD23 LEU A 22 -7.598 -4.067 -4.281 1.00 1.78 H new ATOM 339 N VAL A 23 -6.533 -4.739 -2.000 1.00 0.21 N ATOM 340 CA VAL A 23 -5.245 -4.676 -1.244 1.00 0.17 C ATOM 341 C VAL A 23 -4.346 -3.599 -1.852 1.00 0.19 C ATOM 342 O VAL A 23 -3.666 -3.825 -2.834 1.00 0.21 O ATOM 343 CB VAL A 23 -4.532 -6.031 -1.329 1.00 0.16 C ATOM 344 CG1 VAL A 23 -3.414 -6.084 -0.286 1.00 0.29 C ATOM 345 CG2 VAL A 23 -5.530 -7.158 -1.059 1.00 0.34 C ATOM 0 H VAL A 23 -6.461 -4.531 -2.996 1.00 0.21 H new ATOM 0 HA VAL A 23 -5.453 -4.435 -0.201 1.00 0.17 H new ATOM 0 HB VAL A 23 -4.110 -6.153 -2.326 1.00 0.16 H new ATOM 0 HG11 VAL A 23 -2.906 -7.047 -0.345 1.00 0.29 H new ATOM 0 HG12 VAL A 23 -2.699 -5.284 -0.478 1.00 0.29 H new ATOM 0 HG13 VAL A 23 -3.839 -5.959 0.710 1.00 0.29 H new ATOM 0 HG21 VAL A 23 -5.019 -8.119 -1.120 1.00 0.34 H new ATOM 0 HG22 VAL A 23 -5.956 -7.036 -0.063 1.00 0.34 H new ATOM 0 HG23 VAL A 23 -6.328 -7.123 -1.801 1.00 0.34 H new ATOM 355 N VAL A 24 -4.334 -2.427 -1.273 1.00 0.21 N ATOM 356 CA VAL A 24 -3.477 -1.323 -1.805 1.00 0.22 C ATOM 357 C VAL A 24 -2.196 -1.232 -0.973 1.00 0.24 C ATOM 358 O VAL A 24 -2.234 -0.964 0.212 1.00 0.35 O ATOM 359 CB VAL A 24 -4.239 -0.001 -1.709 1.00 0.21 C ATOM 360 CG1 VAL A 24 -3.461 1.092 -2.443 1.00 0.22 C ATOM 361 CG2 VAL A 24 -5.620 -0.162 -2.351 1.00 0.20 C ATOM 0 H VAL A 24 -4.884 -2.184 -0.449 1.00 0.21 H new ATOM 0 HA VAL A 24 -3.224 -1.524 -2.846 1.00 0.22 H new ATOM 0 HB VAL A 24 -4.354 0.277 -0.661 1.00 0.21 H new ATOM 0 HG11 VAL A 24 -4.005 2.034 -2.374 1.00 0.22 H new ATOM 0 HG12 VAL A 24 -2.477 1.207 -1.988 1.00 0.22 H new ATOM 0 HG13 VAL A 24 -3.346 0.815 -3.491 1.00 0.22 H new ATOM 0 HG21 VAL A 24 -6.165 0.780 -2.283 1.00 0.20 H new ATOM 0 HG22 VAL A 24 -5.504 -0.440 -3.399 1.00 0.20 H new ATOM 0 HG23 VAL A 24 -6.176 -0.941 -1.829 1.00 0.20 H new ATOM 371 N VAL A 25 -1.060 -1.452 -1.582 1.00 0.16 N ATOM 372 CA VAL A 25 0.228 -1.377 -0.824 1.00 0.16 C ATOM 373 C VAL A 25 0.829 0.016 -1.001 1.00 0.14 C ATOM 374 O VAL A 25 0.933 0.521 -2.101 1.00 0.17 O ATOM 375 CB VAL A 25 1.211 -2.424 -1.362 1.00 0.19 C ATOM 376 CG1 VAL A 25 2.426 -2.497 -0.437 1.00 0.14 C ATOM 377 CG2 VAL A 25 0.535 -3.799 -1.413 1.00 0.32 C ATOM 0 H VAL A 25 -0.967 -1.681 -2.572 1.00 0.16 H new ATOM 0 HA VAL A 25 0.040 -1.571 0.232 1.00 0.16 H new ATOM 0 HB VAL A 25 1.524 -2.139 -2.366 1.00 0.19 H new ATOM 0 HG11 VAL A 25 3.128 -3.240 -0.816 1.00 0.14 H new ATOM 0 HG12 VAL A 25 2.914 -1.523 -0.400 1.00 0.14 H new ATOM 0 HG13 VAL A 25 2.104 -2.780 0.565 1.00 0.14 H new ATOM 0 HG21 VAL A 25 1.240 -4.537 -1.796 1.00 0.32 H new ATOM 0 HG22 VAL A 25 0.218 -4.086 -0.410 1.00 0.32 H new ATOM 0 HG23 VAL A 25 -0.334 -3.753 -2.069 1.00 0.32 H new ATOM 387 N ASP A 26 1.223 0.643 0.079 1.00 0.09 N ATOM 388 CA ASP A 26 1.818 2.014 -0.005 1.00 0.07 C ATOM 389 C ASP A 26 3.320 1.932 0.269 1.00 0.08 C ATOM 390 O ASP A 26 3.746 1.548 1.340 1.00 0.09 O ATOM 391 CB ASP A 26 1.164 2.912 1.048 1.00 0.07 C ATOM 392 CG ASP A 26 1.825 4.292 1.024 1.00 0.18 C ATOM 393 OD1 ASP A 26 2.323 4.670 -0.024 1.00 0.81 O ATOM 394 OD2 ASP A 26 1.821 4.947 2.053 1.00 1.20 O ATOM 0 H ASP A 26 1.158 0.262 1.023 1.00 0.09 H new ATOM 0 HA ASP A 26 1.648 2.426 -1.000 1.00 0.07 H new ATOM 0 HB2 ASP A 26 0.096 3.005 0.849 1.00 0.07 H new ATOM 0 HB3 ASP A 26 1.267 2.465 2.037 1.00 0.07 H new ATOM 399 N PHE A 27 4.126 2.294 -0.694 1.00 0.09 N ATOM 400 CA PHE A 27 5.608 2.246 -0.504 1.00 0.11 C ATOM 401 C PHE A 27 6.117 3.654 -0.197 1.00 0.11 C ATOM 402 O PHE A 27 6.212 4.494 -1.068 1.00 0.15 O ATOM 403 CB PHE A 27 6.266 1.739 -1.788 1.00 0.13 C ATOM 404 CG PHE A 27 5.795 0.332 -2.074 1.00 0.15 C ATOM 405 CD1 PHE A 27 6.358 -0.754 -1.376 1.00 0.14 C ATOM 406 CD2 PHE A 27 4.797 0.104 -3.039 1.00 0.17 C ATOM 407 CE1 PHE A 27 5.923 -2.065 -1.642 1.00 0.16 C ATOM 408 CE2 PHE A 27 4.361 -1.208 -3.306 1.00 0.19 C ATOM 409 CZ PHE A 27 4.924 -2.293 -2.607 1.00 0.19 C ATOM 0 H PHE A 27 3.821 2.623 -1.610 1.00 0.09 H new ATOM 0 HA PHE A 27 5.854 1.577 0.320 1.00 0.11 H new ATOM 0 HB2 PHE A 27 6.014 2.395 -2.622 1.00 0.13 H new ATOM 0 HB3 PHE A 27 7.351 1.757 -1.685 1.00 0.13 H new ATOM 0 HD1 PHE A 27 7.125 -0.580 -0.636 1.00 0.14 H new ATOM 0 HD2 PHE A 27 4.365 0.936 -3.575 1.00 0.17 H new ATOM 0 HE1 PHE A 27 6.356 -2.897 -1.106 1.00 0.16 H new ATOM 0 HE2 PHE A 27 3.595 -1.382 -4.047 1.00 0.19 H new ATOM 0 HZ PHE A 27 4.590 -3.299 -2.811 1.00 0.19 H new ATOM 419 N SER A 28 6.442 3.917 1.041 1.00 0.13 N ATOM 420 CA SER A 28 6.944 5.271 1.422 1.00 0.13 C ATOM 421 C SER A 28 8.050 5.124 2.467 1.00 0.15 C ATOM 422 O SER A 28 8.260 4.061 3.021 1.00 0.23 O ATOM 423 CB SER A 28 5.794 6.090 2.011 1.00 0.13 C ATOM 424 OG SER A 28 4.648 5.953 1.181 1.00 1.30 O ATOM 0 H SER A 28 6.381 3.249 1.809 1.00 0.13 H new ATOM 0 HA SER A 28 7.339 5.777 0.541 1.00 0.13 H new ATOM 0 HB2 SER A 28 5.569 5.748 3.021 1.00 0.13 H new ATOM 0 HB3 SER A 28 6.080 7.139 2.086 1.00 0.13 H new ATOM 0 HG SER A 28 3.908 6.475 1.556 1.00 1.30 H new ATOM 430 N ALA A 29 8.763 6.184 2.738 1.00 0.13 N ATOM 431 CA ALA A 29 9.864 6.122 3.745 1.00 0.16 C ATOM 432 C ALA A 29 9.341 6.618 5.100 1.00 0.20 C ATOM 433 O ALA A 29 9.222 7.802 5.335 1.00 0.32 O ATOM 434 CB ALA A 29 11.030 7.007 3.265 1.00 0.17 C ATOM 0 H ALA A 29 8.630 7.097 2.303 1.00 0.13 H new ATOM 0 HA ALA A 29 10.215 5.096 3.858 1.00 0.16 H new ATOM 0 HB1 ALA A 29 11.840 6.969 3.994 1.00 0.17 H new ATOM 0 HB2 ALA A 29 11.390 6.644 2.303 1.00 0.17 H new ATOM 0 HB3 ALA A 29 10.686 8.036 3.159 1.00 0.17 H new ATOM 440 N THR A 30 9.033 5.720 5.996 1.00 0.23 N ATOM 441 CA THR A 30 8.527 6.149 7.329 1.00 0.26 C ATOM 442 C THR A 30 9.546 7.092 7.975 1.00 0.24 C ATOM 443 O THR A 30 9.202 7.955 8.759 1.00 0.40 O ATOM 444 CB THR A 30 8.318 4.917 8.221 1.00 0.30 C ATOM 445 OG1 THR A 30 7.603 5.299 9.387 1.00 0.26 O ATOM 446 CG2 THR A 30 9.671 4.319 8.625 1.00 0.32 C ATOM 0 H THR A 30 9.110 4.712 5.863 1.00 0.23 H new ATOM 0 HA THR A 30 7.576 6.668 7.211 1.00 0.26 H new ATOM 0 HB THR A 30 7.752 4.168 7.667 1.00 0.30 H new ATOM 0 HG1 THR A 30 7.466 4.515 9.958 1.00 0.26 H new ATOM 0 HG21 THR A 30 9.509 3.446 9.257 1.00 0.32 H new ATOM 0 HG22 THR A 30 10.219 4.022 7.731 1.00 0.32 H new ATOM 0 HG23 THR A 30 10.248 5.063 9.174 1.00 0.32 H new ATOM 454 N TRP A 31 10.801 6.930 7.650 1.00 0.20 N ATOM 455 CA TRP A 31 11.848 7.809 8.240 1.00 0.20 C ATOM 456 C TRP A 31 11.794 9.184 7.569 1.00 0.16 C ATOM 457 O TRP A 31 12.134 10.189 8.163 1.00 0.17 O ATOM 458 CB TRP A 31 13.222 7.174 8.015 1.00 0.24 C ATOM 459 CG TRP A 31 13.458 7.000 6.549 1.00 0.21 C ATOM 460 CD1 TRP A 31 13.073 5.926 5.822 1.00 0.22 C ATOM 461 CD2 TRP A 31 14.124 7.905 5.626 1.00 0.20 C ATOM 462 NE1 TRP A 31 13.465 6.111 4.507 1.00 0.18 N ATOM 463 CE2 TRP A 31 14.116 7.317 4.332 1.00 0.18 C ATOM 464 CE3 TRP A 31 14.733 9.171 5.780 1.00 0.22 C ATOM 465 CZ2 TRP A 31 14.691 7.963 3.229 1.00 0.19 C ATOM 466 CZ3 TRP A 31 15.314 9.826 4.674 1.00 0.25 C ATOM 467 CH2 TRP A 31 15.293 9.222 3.400 1.00 0.24 C ATOM 0 H TRP A 31 11.145 6.224 6.999 1.00 0.20 H new ATOM 0 HA TRP A 31 11.674 7.926 9.310 1.00 0.20 H new ATOM 0 HB2 TRP A 31 14.000 7.803 8.447 1.00 0.24 H new ATOM 0 HB3 TRP A 31 13.275 6.209 8.520 1.00 0.24 H new ATOM 0 HD1 TRP A 31 12.546 5.065 6.205 1.00 0.22 H new ATOM 0 HE1 TRP A 31 13.294 5.439 3.759 1.00 0.18 H new ATOM 0 HE3 TRP A 31 14.754 9.641 6.752 1.00 0.22 H new ATOM 0 HZ2 TRP A 31 14.672 7.497 2.255 1.00 0.19 H new ATOM 0 HZ3 TRP A 31 15.776 10.793 4.803 1.00 0.25 H new ATOM 0 HH2 TRP A 31 15.739 9.726 2.556 1.00 0.24 H new ATOM 478 N CYS A 32 11.368 9.236 6.337 1.00 0.14 N ATOM 479 CA CYS A 32 11.288 10.546 5.627 1.00 0.13 C ATOM 480 C CYS A 32 10.207 11.409 6.288 1.00 0.10 C ATOM 481 O CYS A 32 9.414 10.930 7.074 1.00 0.08 O ATOM 482 CB CYS A 32 10.946 10.294 4.153 1.00 0.11 C ATOM 483 SG CYS A 32 10.295 11.801 3.386 1.00 0.88 S ATOM 0 H CYS A 32 11.071 8.428 5.790 1.00 0.14 H new ATOM 0 HA CYS A 32 12.242 11.069 5.686 1.00 0.13 H new ATOM 0 HB2 CYS A 32 11.836 9.962 3.619 1.00 0.11 H new ATOM 0 HB3 CYS A 32 10.211 9.493 4.076 1.00 0.11 H new ATOM 488 N GLY A 33 10.179 12.683 5.983 1.00 0.10 N ATOM 489 CA GLY A 33 9.159 13.597 6.596 1.00 0.07 C ATOM 490 C GLY A 33 8.049 13.912 5.581 1.00 0.10 C ATOM 491 O GLY A 33 6.933 13.461 5.743 1.00 0.11 O ATOM 0 H GLY A 33 10.822 13.134 5.332 1.00 0.10 H new ATOM 0 HA2 GLY A 33 8.729 13.131 7.483 1.00 0.07 H new ATOM 0 HA3 GLY A 33 9.637 14.521 6.921 1.00 0.07 H new ATOM 495 N PRO A 34 8.376 14.684 4.564 1.00 0.11 N ATOM 496 CA PRO A 34 7.390 15.059 3.533 1.00 0.15 C ATOM 497 C PRO A 34 6.721 13.802 2.959 1.00 0.18 C ATOM 498 O PRO A 34 5.653 13.865 2.384 1.00 0.19 O ATOM 499 CB PRO A 34 8.207 15.817 2.457 1.00 0.18 C ATOM 500 CG PRO A 34 9.671 15.931 2.978 1.00 0.16 C ATOM 501 CD PRO A 34 9.732 15.234 4.356 1.00 0.10 C ATOM 0 HA PRO A 34 6.583 15.678 3.925 1.00 0.15 H new ATOM 0 HB2 PRO A 34 8.178 15.284 1.507 1.00 0.18 H new ATOM 0 HB3 PRO A 34 7.784 16.806 2.280 1.00 0.18 H new ATOM 0 HG2 PRO A 34 10.364 15.461 2.280 1.00 0.16 H new ATOM 0 HG3 PRO A 34 9.966 16.977 3.064 1.00 0.16 H new ATOM 0 HD2 PRO A 34 10.484 14.445 4.367 1.00 0.10 H new ATOM 0 HD3 PRO A 34 9.998 15.939 5.144 1.00 0.10 H new ATOM 509 N CYS A 35 7.340 12.662 3.111 1.00 0.27 N ATOM 510 CA CYS A 35 6.733 11.410 2.575 1.00 0.31 C ATOM 511 C CYS A 35 5.673 10.902 3.556 1.00 0.30 C ATOM 512 O CYS A 35 4.533 10.684 3.196 1.00 0.27 O ATOM 513 CB CYS A 35 7.825 10.352 2.394 1.00 0.35 C ATOM 514 SG CYS A 35 9.322 11.136 1.744 1.00 0.44 S ATOM 0 H CYS A 35 8.237 12.544 3.582 1.00 0.27 H new ATOM 0 HA CYS A 35 6.265 11.610 1.611 1.00 0.31 H new ATOM 0 HB2 CYS A 35 8.039 9.868 3.347 1.00 0.35 H new ATOM 0 HB3 CYS A 35 7.483 9.574 1.711 1.00 0.35 H new ATOM 519 N LYS A 36 6.042 10.718 4.794 1.00 0.44 N ATOM 520 CA LYS A 36 5.058 10.230 5.803 1.00 0.44 C ATOM 521 C LYS A 36 3.987 11.298 6.012 1.00 0.44 C ATOM 522 O LYS A 36 3.017 11.088 6.707 1.00 0.50 O ATOM 523 CB LYS A 36 5.781 9.963 7.126 1.00 0.39 C ATOM 524 CG LYS A 36 4.824 9.289 8.113 1.00 0.34 C ATOM 525 CD LYS A 36 5.625 8.696 9.276 1.00 0.57 C ATOM 526 CE LYS A 36 6.317 9.822 10.051 1.00 0.80 C ATOM 527 NZ LYS A 36 6.749 9.313 11.383 1.00 0.93 N ATOM 0 H LYS A 36 6.983 10.884 5.151 1.00 0.44 H new ATOM 0 HA LYS A 36 4.593 9.309 5.452 1.00 0.44 H new ATOM 0 HB2 LYS A 36 6.649 9.326 6.955 1.00 0.39 H new ATOM 0 HB3 LYS A 36 6.150 10.899 7.545 1.00 0.39 H new ATOM 0 HG2 LYS A 36 4.101 10.014 8.487 1.00 0.34 H new ATOM 0 HG3 LYS A 36 4.258 8.505 7.610 1.00 0.34 H new ATOM 0 HD2 LYS A 36 4.964 8.138 9.939 1.00 0.57 H new ATOM 0 HD3 LYS A 36 6.366 7.992 8.898 1.00 0.57 H new ATOM 0 HE2 LYS A 36 7.179 10.187 9.492 1.00 0.80 H new ATOM 0 HE3 LYS A 36 5.637 10.665 10.175 1.00 0.80 H new ATOM 0 HZ1 LYS A 36 7.219 10.076 11.911 1.00 0.93 H new ATOM 0 HZ2 LYS A 36 5.918 8.985 11.915 1.00 0.93 H new ATOM 0 HZ3 LYS A 36 7.412 8.522 11.254 1.00 0.93 H new ATOM 541 N MET A 37 4.153 12.444 5.413 1.00 0.53 N ATOM 542 CA MET A 37 3.139 13.522 5.579 1.00 0.51 C ATOM 543 C MET A 37 1.835 13.105 4.895 1.00 0.44 C ATOM 544 O MET A 37 0.783 13.654 5.157 1.00 0.40 O ATOM 545 CB MET A 37 3.665 14.816 4.946 1.00 0.57 C ATOM 546 CG MET A 37 2.627 15.938 5.096 1.00 0.91 C ATOM 547 SD MET A 37 1.440 15.848 3.733 1.00 2.24 S ATOM 548 CE MET A 37 0.536 17.367 4.119 1.00 2.91 C ATOM 0 H MET A 37 4.946 12.681 4.816 1.00 0.53 H new ATOM 0 HA MET A 37 2.951 13.689 6.640 1.00 0.51 H new ATOM 0 HB2 MET A 37 4.600 15.109 5.423 1.00 0.57 H new ATOM 0 HB3 MET A 37 3.883 14.651 3.891 1.00 0.57 H new ATOM 0 HG2 MET A 37 2.109 15.843 6.050 1.00 0.91 H new ATOM 0 HG3 MET A 37 3.123 16.909 5.097 1.00 0.91 H new ATOM 0 HE1 MET A 37 -0.260 17.512 3.389 1.00 2.91 H new ATOM 0 HE2 MET A 37 0.104 17.290 5.117 1.00 2.91 H new ATOM 0 HE3 MET A 37 1.219 18.216 4.084 1.00 2.91 H new ATOM 558 N ILE A 38 1.895 12.136 4.016 1.00 0.43 N ATOM 559 CA ILE A 38 0.657 11.683 3.309 1.00 0.38 C ATOM 560 C ILE A 38 0.054 10.480 4.045 1.00 0.27 C ATOM 561 O ILE A 38 -0.603 9.647 3.451 1.00 0.34 O ATOM 562 CB ILE A 38 1.012 11.284 1.867 1.00 0.45 C ATOM 563 CG1 ILE A 38 2.032 12.279 1.304 1.00 0.86 C ATOM 564 CG2 ILE A 38 -0.249 11.301 0.991 1.00 0.29 C ATOM 565 CD1 ILE A 38 2.301 11.961 -0.168 1.00 1.06 C ATOM 0 H ILE A 38 2.747 11.639 3.757 1.00 0.43 H new ATOM 0 HA ILE A 38 -0.071 12.494 3.293 1.00 0.38 H new ATOM 0 HB ILE A 38 1.434 10.279 1.867 1.00 0.45 H new ATOM 0 HG12 ILE A 38 1.655 13.297 1.404 1.00 0.86 H new ATOM 0 HG13 ILE A 38 2.960 12.225 1.873 1.00 0.86 H new ATOM 0 HG21 ILE A 38 0.012 11.017 -0.028 1.00 0.29 H new ATOM 0 HG22 ILE A 38 -0.978 10.595 1.389 1.00 0.29 H new ATOM 0 HG23 ILE A 38 -0.678 12.303 0.990 1.00 0.29 H new ATOM 0 HD11 ILE A 38 3.027 12.670 -0.567 1.00 1.06 H new ATOM 0 HD12 ILE A 38 2.696 10.949 -0.255 1.00 1.06 H new ATOM 0 HD13 ILE A 38 1.372 12.037 -0.732 1.00 1.06 H new ATOM 577 N LYS A 39 0.259 10.379 5.337 1.00 0.25 N ATOM 578 CA LYS A 39 -0.322 9.230 6.096 1.00 0.24 C ATOM 579 C LYS A 39 -1.746 9.538 6.635 1.00 0.18 C ATOM 580 O LYS A 39 -2.497 8.608 6.849 1.00 0.18 O ATOM 581 CB LYS A 39 0.623 8.801 7.243 1.00 0.34 C ATOM 582 CG LYS A 39 0.644 9.812 8.408 1.00 1.28 C ATOM 583 CD LYS A 39 1.254 9.151 9.656 1.00 1.06 C ATOM 584 CE LYS A 39 0.337 8.036 10.194 1.00 2.50 C ATOM 585 NZ LYS A 39 0.801 6.719 9.671 1.00 2.04 N ATOM 0 H LYS A 39 0.801 11.039 5.895 1.00 0.25 H new ATOM 0 HA LYS A 39 -0.422 8.400 5.397 1.00 0.24 H new ATOM 0 HB2 LYS A 39 0.312 7.826 7.619 1.00 0.34 H new ATOM 0 HB3 LYS A 39 1.633 8.684 6.851 1.00 0.34 H new ATOM 0 HG2 LYS A 39 1.225 10.691 8.129 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -0.368 10.154 8.624 1.00 1.28 H new ATOM 0 HD2 LYS A 39 2.232 8.736 9.411 1.00 1.06 H new ATOM 0 HD3 LYS A 39 1.411 9.902 10.430 1.00 1.06 H new ATOM 0 HE2 LYS A 39 0.351 8.032 11.284 1.00 2.50 H new ATOM 0 HE3 LYS A 39 -0.693 8.218 9.889 1.00 2.50 H new ATOM 0 HZ1 LYS A 39 0.002 6.219 9.232 1.00 2.04 H new ATOM 0 HZ2 LYS A 39 1.546 6.870 8.962 1.00 2.04 H new ATOM 0 HZ3 LYS A 39 1.179 6.148 10.454 1.00 2.04 H new ATOM 599 N PRO A 40 -2.113 10.801 6.851 1.00 0.15 N ATOM 600 CA PRO A 40 -3.462 11.105 7.363 1.00 0.10 C ATOM 601 C PRO A 40 -4.484 10.886 6.239 1.00 0.03 C ATOM 602 O PRO A 40 -5.656 11.166 6.388 1.00 0.05 O ATOM 603 CB PRO A 40 -3.406 12.591 7.787 1.00 0.07 C ATOM 604 CG PRO A 40 -2.041 13.159 7.301 1.00 0.10 C ATOM 605 CD PRO A 40 -1.271 12.000 6.625 1.00 0.22 C ATOM 0 HA PRO A 40 -3.758 10.470 8.198 1.00 0.10 H new ATOM 0 HB2 PRO A 40 -4.233 13.148 7.346 1.00 0.07 H new ATOM 0 HB3 PRO A 40 -3.499 12.686 8.869 1.00 0.07 H new ATOM 0 HG2 PRO A 40 -2.195 13.979 6.599 1.00 0.10 H new ATOM 0 HG3 PRO A 40 -1.472 13.560 8.140 1.00 0.10 H new ATOM 0 HD2 PRO A 40 -1.128 12.188 5.561 1.00 0.22 H new ATOM 0 HD3 PRO A 40 -0.280 11.875 7.062 1.00 0.22 H new ATOM 613 N PHE A 41 -4.030 10.394 5.112 1.00 0.09 N ATOM 614 CA PHE A 41 -4.945 10.151 3.953 1.00 0.12 C ATOM 615 C PHE A 41 -5.001 8.651 3.659 1.00 0.12 C ATOM 616 O PHE A 41 -6.002 8.003 3.882 1.00 0.11 O ATOM 617 CB PHE A 41 -4.403 10.895 2.724 1.00 0.19 C ATOM 618 CG PHE A 41 -4.759 12.360 2.821 1.00 0.20 C ATOM 619 CD1 PHE A 41 -3.891 13.255 3.476 1.00 0.34 C ATOM 620 CD2 PHE A 41 -5.961 12.828 2.258 1.00 0.14 C ATOM 621 CE1 PHE A 41 -4.226 14.620 3.566 1.00 0.40 C ATOM 622 CE2 PHE A 41 -6.297 14.193 2.349 1.00 0.16 C ATOM 623 CZ PHE A 41 -5.429 15.089 3.003 1.00 0.30 C ATOM 0 H PHE A 41 -3.054 10.148 4.944 1.00 0.09 H new ATOM 0 HA PHE A 41 -5.946 10.511 4.188 1.00 0.12 H new ATOM 0 HB2 PHE A 41 -3.321 10.777 2.662 1.00 0.19 H new ATOM 0 HB3 PHE A 41 -4.823 10.468 1.813 1.00 0.19 H new ATOM 0 HD1 PHE A 41 -2.969 12.895 3.909 1.00 0.34 H new ATOM 0 HD2 PHE A 41 -6.626 12.141 1.756 1.00 0.14 H new ATOM 0 HE1 PHE A 41 -3.560 15.307 4.067 1.00 0.40 H new ATOM 0 HE2 PHE A 41 -7.220 14.552 1.918 1.00 0.16 H new ATOM 0 HZ PHE A 41 -5.686 16.136 3.073 1.00 0.30 H new ATOM 633 N PHE A 42 -3.934 8.099 3.153 1.00 0.18 N ATOM 634 CA PHE A 42 -3.922 6.644 2.834 1.00 0.21 C ATOM 635 C PHE A 42 -4.178 5.828 4.107 1.00 0.23 C ATOM 636 O PHE A 42 -5.159 5.120 4.218 1.00 0.25 O ATOM 637 CB PHE A 42 -2.555 6.268 2.250 1.00 0.24 C ATOM 638 CG PHE A 42 -2.459 4.768 2.090 1.00 0.16 C ATOM 639 CD1 PHE A 42 -2.965 4.149 0.930 1.00 0.17 C ATOM 640 CD2 PHE A 42 -1.864 3.990 3.101 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.874 2.751 0.782 1.00 0.14 C ATOM 642 CE2 PHE A 42 -1.774 2.592 2.953 1.00 0.05 C ATOM 643 CZ PHE A 42 -2.278 1.973 1.794 1.00 0.09 C ATOM 0 H PHE A 42 -3.067 8.594 2.946 1.00 0.18 H new ATOM 0 HA PHE A 42 -4.706 6.426 2.108 1.00 0.21 H new ATOM 0 HB2 PHE A 42 -2.416 6.755 1.285 1.00 0.24 H new ATOM 0 HB3 PHE A 42 -1.760 6.624 2.905 1.00 0.24 H new ATOM 0 HD1 PHE A 42 -3.422 4.746 0.155 1.00 0.17 H new ATOM 0 HD2 PHE A 42 -1.476 4.465 3.990 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.261 2.276 -0.107 1.00 0.14 H new ATOM 0 HE2 PHE A 42 -1.318 1.995 3.729 1.00 0.05 H new ATOM 0 HZ PHE A 42 -2.208 0.901 1.680 1.00 0.09 H new ATOM 653 N HIS A 43 -3.291 5.914 5.060 1.00 0.22 N ATOM 654 CA HIS A 43 -3.462 5.137 6.322 1.00 0.23 C ATOM 655 C HIS A 43 -4.686 5.650 7.093 1.00 0.14 C ATOM 656 O HIS A 43 -5.066 5.097 8.105 1.00 0.22 O ATOM 657 CB HIS A 43 -2.190 5.291 7.169 1.00 0.33 C ATOM 658 CG HIS A 43 -2.410 4.753 8.559 1.00 0.36 C ATOM 659 ND1 HIS A 43 -2.999 5.298 9.673 1.00 0.25 N flip ATOM 660 CD2 HIS A 43 -2.002 3.481 8.931 1.00 0.51 C flip ATOM 661 CE1 HIS A 43 -2.960 4.382 10.720 1.00 0.30 C flip ATOM 662 NE2 HIS A 43 -2.349 3.305 10.219 1.00 0.47 N flip ATOM 0 H HIS A 43 -2.451 6.491 5.019 1.00 0.22 H new ATOM 0 HA HIS A 43 -3.622 4.083 6.093 1.00 0.23 H new ATOM 0 HB2 HIS A 43 -1.364 4.761 6.695 1.00 0.33 H new ATOM 0 HB3 HIS A 43 -1.906 6.342 7.221 1.00 0.33 H new ATOM 0 HD2 HIS A 43 -1.498 2.763 8.302 1.00 0.51 H new ATOM 0 HE1 HIS A 43 -3.342 4.514 11.722 1.00 0.30 H new ATOM 0 HE2 HIS A 43 -2.167 2.452 10.749 1.00 0.47 H new ATOM 670 N SER A 44 -5.309 6.699 6.626 1.00 0.26 N ATOM 671 CA SER A 44 -6.505 7.235 7.344 1.00 0.18 C ATOM 672 C SER A 44 -7.768 6.491 6.899 1.00 0.12 C ATOM 673 O SER A 44 -8.720 6.372 7.646 1.00 0.07 O ATOM 674 CB SER A 44 -6.658 8.726 7.034 1.00 0.23 C ATOM 675 OG SER A 44 -8.029 9.088 7.132 1.00 1.23 O ATOM 0 H SER A 44 -5.044 7.207 5.782 1.00 0.26 H new ATOM 0 HA SER A 44 -6.368 7.092 8.416 1.00 0.18 H new ATOM 0 HB2 SER A 44 -6.063 9.317 7.731 1.00 0.23 H new ATOM 0 HB3 SER A 44 -6.284 8.941 6.033 1.00 0.23 H new ATOM 0 HG SER A 44 -8.129 10.044 6.943 1.00 1.23 H new ATOM 681 N LEU A 45 -7.795 5.990 5.694 1.00 0.24 N ATOM 682 CA LEU A 45 -9.010 5.262 5.223 1.00 0.30 C ATOM 683 C LEU A 45 -9.270 4.060 6.130 1.00 0.32 C ATOM 684 O LEU A 45 -10.317 3.446 6.076 1.00 0.40 O ATOM 685 CB LEU A 45 -8.804 4.776 3.785 1.00 0.41 C ATOM 686 CG LEU A 45 -8.222 5.904 2.928 1.00 0.60 C ATOM 687 CD1 LEU A 45 -8.225 5.476 1.458 1.00 0.17 C ATOM 688 CD2 LEU A 45 -9.070 7.172 3.090 1.00 1.02 C ATOM 0 H LEU A 45 -7.034 6.052 5.018 1.00 0.24 H new ATOM 0 HA LEU A 45 -9.864 5.938 5.256 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -8.132 3.918 3.775 1.00 0.41 H new ATOM 0 HB3 LEU A 45 -9.753 4.443 3.366 1.00 0.41 H new ATOM 0 HG LEU A 45 -7.201 6.111 3.250 1.00 0.60 H new ATOM 0 HD11 LEU A 45 -7.811 6.277 0.845 1.00 0.17 H new ATOM 0 HD12 LEU A 45 -7.619 4.578 1.339 1.00 0.17 H new ATOM 0 HD13 LEU A 45 -9.247 5.268 1.142 1.00 0.17 H new ATOM 0 HD21 LEU A 45 -8.651 7.971 2.478 1.00 1.02 H new ATOM 0 HD22 LEU A 45 -10.092 6.969 2.771 1.00 1.02 H new ATOM 0 HD23 LEU A 45 -9.070 7.478 4.136 1.00 1.02 H new ATOM 700 N SER A 46 -8.331 3.716 6.965 1.00 0.26 N ATOM 701 CA SER A 46 -8.539 2.554 7.871 1.00 0.27 C ATOM 702 C SER A 46 -9.789 2.794 8.718 1.00 0.30 C ATOM 703 O SER A 46 -10.529 1.880 9.025 1.00 0.27 O ATOM 704 CB SER A 46 -7.324 2.397 8.786 1.00 0.32 C ATOM 705 OG SER A 46 -6.156 2.231 7.993 1.00 0.33 O ATOM 0 H SER A 46 -7.431 4.187 7.059 1.00 0.26 H new ATOM 0 HA SER A 46 -8.666 1.647 7.280 1.00 0.27 H new ATOM 0 HB2 SER A 46 -7.221 3.273 9.426 1.00 0.32 H new ATOM 0 HB3 SER A 46 -7.457 1.537 9.442 1.00 0.32 H new ATOM 0 HG SER A 46 -5.689 3.089 7.915 1.00 0.33 H new ATOM 711 N GLU A 47 -10.029 4.020 9.104 1.00 0.43 N ATOM 712 CA GLU A 47 -11.230 4.328 9.937 1.00 0.47 C ATOM 713 C GLU A 47 -12.431 4.637 9.038 1.00 0.47 C ATOM 714 O GLU A 47 -13.569 4.492 9.439 1.00 0.46 O ATOM 715 CB GLU A 47 -10.935 5.542 10.821 1.00 0.54 C ATOM 716 CG GLU A 47 -9.816 5.196 11.807 1.00 0.65 C ATOM 717 CD GLU A 47 -9.589 6.372 12.756 1.00 1.29 C ATOM 718 OE1 GLU A 47 -10.556 7.044 13.078 1.00 1.50 O ATOM 719 OE2 GLU A 47 -8.453 6.583 13.147 1.00 2.32 O ATOM 0 H GLU A 47 -9.443 4.824 8.878 1.00 0.43 H new ATOM 0 HA GLU A 47 -11.463 3.463 10.558 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -10.641 6.391 10.204 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -11.833 5.837 11.363 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -10.080 4.303 12.374 1.00 0.65 H new ATOM 0 HG3 GLU A 47 -8.897 4.970 11.266 1.00 0.65 H new ATOM 726 N LYS A 48 -12.193 5.072 7.829 1.00 0.47 N ATOM 727 CA LYS A 48 -13.330 5.398 6.915 1.00 0.48 C ATOM 728 C LYS A 48 -13.810 4.127 6.210 1.00 0.44 C ATOM 729 O LYS A 48 -14.969 3.771 6.280 1.00 0.52 O ATOM 730 CB LYS A 48 -12.864 6.417 5.871 1.00 0.51 C ATOM 731 CG LYS A 48 -14.075 6.991 5.130 1.00 0.43 C ATOM 732 CD LYS A 48 -13.631 8.174 4.268 1.00 2.04 C ATOM 733 CE LYS A 48 -14.779 8.596 3.349 1.00 2.11 C ATOM 734 NZ LYS A 48 -14.353 9.761 2.523 1.00 3.23 N ATOM 0 H LYS A 48 -11.263 5.216 7.434 1.00 0.47 H new ATOM 0 HA LYS A 48 -14.152 5.817 7.496 1.00 0.48 H new ATOM 0 HB2 LYS A 48 -12.309 7.220 6.356 1.00 0.51 H new ATOM 0 HB3 LYS A 48 -12.185 5.942 5.163 1.00 0.51 H new ATOM 0 HG2 LYS A 48 -14.530 6.223 4.505 1.00 0.43 H new ATOM 0 HG3 LYS A 48 -14.833 7.312 5.844 1.00 0.43 H new ATOM 0 HD2 LYS A 48 -13.334 9.009 4.903 1.00 2.04 H new ATOM 0 HD3 LYS A 48 -12.759 7.898 3.675 1.00 2.04 H new ATOM 0 HE2 LYS A 48 -15.067 7.766 2.704 1.00 2.11 H new ATOM 0 HE3 LYS A 48 -15.656 8.858 3.942 1.00 2.11 H new ATOM 0 HZ1 LYS A 48 -15.134 10.048 1.898 1.00 3.23 H new ATOM 0 HZ2 LYS A 48 -14.099 10.554 3.146 1.00 3.23 H new ATOM 0 HZ3 LYS A 48 -13.529 9.495 1.947 1.00 3.23 H new ATOM 748 N TYR A 49 -12.924 3.441 5.532 1.00 0.37 N ATOM 749 CA TYR A 49 -13.312 2.185 4.812 1.00 0.42 C ATOM 750 C TYR A 49 -12.713 0.982 5.540 1.00 0.36 C ATOM 751 O TYR A 49 -11.656 0.498 5.189 1.00 0.37 O ATOM 752 CB TYR A 49 -12.760 2.233 3.385 1.00 0.52 C ATOM 753 CG TYR A 49 -13.481 3.301 2.598 1.00 0.60 C ATOM 754 CD1 TYR A 49 -14.673 2.989 1.920 1.00 0.65 C ATOM 755 CD2 TYR A 49 -12.959 4.607 2.539 1.00 0.62 C ATOM 756 CE1 TYR A 49 -15.346 3.984 1.184 1.00 0.71 C ATOM 757 CE2 TYR A 49 -13.630 5.602 1.803 1.00 0.69 C ATOM 758 CZ TYR A 49 -14.824 5.290 1.125 1.00 0.73 C ATOM 759 OH TYR A 49 -15.482 6.264 0.403 1.00 0.80 O ATOM 0 H TYR A 49 -11.941 3.698 5.445 1.00 0.37 H new ATOM 0 HA TYR A 49 -14.398 2.097 4.786 1.00 0.42 H new ATOM 0 HB2 TYR A 49 -11.690 2.442 3.405 1.00 0.52 H new ATOM 0 HB3 TYR A 49 -12.887 1.264 2.903 1.00 0.52 H new ATOM 0 HD1 TYR A 49 -15.072 1.987 1.964 1.00 0.65 H new ATOM 0 HD2 TYR A 49 -12.043 4.846 3.059 1.00 0.62 H new ATOM 0 HE1 TYR A 49 -16.262 3.745 0.665 1.00 0.71 H new ATOM 0 HE2 TYR A 49 -13.229 6.604 1.758 1.00 0.69 H new ATOM 0 HH TYR A 49 -14.989 7.108 0.467 1.00 0.80 H new ATOM 769 N SER A 50 -13.377 0.497 6.553 1.00 0.44 N ATOM 770 CA SER A 50 -12.843 -0.672 7.309 1.00 0.39 C ATOM 771 C SER A 50 -12.932 -1.938 6.452 1.00 0.31 C ATOM 772 O SER A 50 -12.469 -2.992 6.840 1.00 0.24 O ATOM 773 CB SER A 50 -13.661 -0.867 8.586 1.00 0.46 C ATOM 774 OG SER A 50 -15.021 -1.100 8.243 1.00 0.60 O ATOM 0 H SER A 50 -14.268 0.860 6.891 1.00 0.44 H new ATOM 0 HA SER A 50 -11.800 -0.485 7.563 1.00 0.39 H new ATOM 0 HB2 SER A 50 -13.269 -1.708 9.157 1.00 0.46 H new ATOM 0 HB3 SER A 50 -13.580 0.015 9.221 1.00 0.46 H new ATOM 0 HG SER A 50 -15.547 -1.227 9.060 1.00 0.60 H new ATOM 780 N ASN A 51 -13.524 -1.846 5.288 1.00 0.36 N ATOM 781 CA ASN A 51 -13.645 -3.048 4.404 1.00 0.35 C ATOM 782 C ASN A 51 -12.537 -3.018 3.350 1.00 0.23 C ATOM 783 O ASN A 51 -12.699 -3.513 2.253 1.00 0.24 O ATOM 784 CB ASN A 51 -15.007 -3.030 3.707 1.00 0.53 C ATOM 785 CG ASN A 51 -15.279 -4.398 3.079 1.00 0.57 C ATOM 786 OD1 ASN A 51 -15.180 -5.413 3.739 1.00 1.38 O ATOM 787 ND2 ASN A 51 -15.620 -4.469 1.821 1.00 1.00 N ATOM 0 H ASN A 51 -13.930 -0.990 4.910 1.00 0.36 H new ATOM 0 HA ASN A 51 -13.553 -3.953 5.005 1.00 0.35 H new ATOM 0 HB2 ASN A 51 -15.791 -2.785 4.424 1.00 0.53 H new ATOM 0 HB3 ASN A 51 -15.024 -2.256 2.940 1.00 0.53 H new ATOM 0 HD21 ASN A 51 -15.803 -5.376 1.393 1.00 1.00 H new ATOM 0 HD22 ASN A 51 -15.703 -3.617 1.266 1.00 1.00 H new ATOM 794 N VAL A 52 -11.410 -2.439 3.681 1.00 0.27 N ATOM 795 CA VAL A 52 -10.271 -2.366 2.714 1.00 0.17 C ATOM 796 C VAL A 52 -8.988 -2.813 3.415 1.00 0.14 C ATOM 797 O VAL A 52 -8.774 -2.530 4.576 1.00 0.08 O ATOM 798 CB VAL A 52 -10.114 -0.925 2.228 1.00 0.23 C ATOM 799 CG1 VAL A 52 -8.892 -0.822 1.313 1.00 0.28 C ATOM 800 CG2 VAL A 52 -11.367 -0.514 1.452 1.00 0.22 C ATOM 0 H VAL A 52 -11.228 -2.010 4.588 1.00 0.27 H new ATOM 0 HA VAL A 52 -10.466 -3.017 1.862 1.00 0.17 H new ATOM 0 HB VAL A 52 -9.980 -0.265 3.085 1.00 0.23 H new ATOM 0 HG11 VAL A 52 -8.782 0.206 0.968 1.00 0.28 H new ATOM 0 HG12 VAL A 52 -7.999 -1.117 1.864 1.00 0.28 H new ATOM 0 HG13 VAL A 52 -9.023 -1.481 0.455 1.00 0.28 H new ATOM 0 HG21 VAL A 52 -11.259 0.513 1.104 1.00 0.22 H new ATOM 0 HG22 VAL A 52 -11.498 -1.176 0.596 1.00 0.22 H new ATOM 0 HG23 VAL A 52 -12.238 -0.586 2.103 1.00 0.22 H new ATOM 810 N ILE A 53 -8.132 -3.518 2.720 1.00 0.19 N ATOM 811 CA ILE A 53 -6.859 -3.994 3.344 1.00 0.17 C ATOM 812 C ILE A 53 -5.723 -3.049 2.939 1.00 0.16 C ATOM 813 O ILE A 53 -5.415 -2.904 1.772 1.00 0.16 O ATOM 814 CB ILE A 53 -6.552 -5.415 2.839 1.00 0.15 C ATOM 815 CG1 ILE A 53 -7.849 -6.245 2.789 1.00 0.57 C ATOM 816 CG2 ILE A 53 -5.512 -6.096 3.747 1.00 0.34 C ATOM 817 CD1 ILE A 53 -8.566 -6.227 4.145 1.00 0.99 C ATOM 0 H ILE A 53 -8.260 -3.786 1.744 1.00 0.19 H new ATOM 0 HA ILE A 53 -6.955 -4.007 4.430 1.00 0.17 H new ATOM 0 HB ILE A 53 -6.137 -5.349 1.833 1.00 0.15 H new ATOM 0 HG12 ILE A 53 -8.510 -5.847 2.019 1.00 0.57 H new ATOM 0 HG13 ILE A 53 -7.617 -7.273 2.510 1.00 0.57 H new ATOM 0 HG21 ILE A 53 -5.307 -7.100 3.376 1.00 0.34 H new ATOM 0 HG22 ILE A 53 -4.591 -5.513 3.746 1.00 0.34 H new ATOM 0 HG23 ILE A 53 -5.901 -6.158 4.763 1.00 0.34 H new ATOM 0 HD11 ILE A 53 -9.478 -6.820 4.082 1.00 0.99 H new ATOM 0 HD12 ILE A 53 -7.911 -6.648 4.908 1.00 0.99 H new ATOM 0 HD13 ILE A 53 -8.819 -5.200 4.409 1.00 0.99 H new ATOM 829 N PHE A 54 -5.102 -2.402 3.898 1.00 0.18 N ATOM 830 CA PHE A 54 -3.982 -1.453 3.583 1.00 0.18 C ATOM 831 C PHE A 54 -2.666 -2.006 4.126 1.00 0.19 C ATOM 832 O PHE A 54 -2.552 -2.336 5.290 1.00 0.33 O ATOM 833 CB PHE A 54 -4.254 -0.104 4.250 1.00 0.18 C ATOM 834 CG PHE A 54 -5.576 0.447 3.772 1.00 0.16 C ATOM 835 CD1 PHE A 54 -5.669 1.054 2.506 1.00 0.16 C ATOM 836 CD2 PHE A 54 -6.713 0.362 4.599 1.00 0.14 C ATOM 837 CE1 PHE A 54 -6.901 1.575 2.064 1.00 0.14 C ATOM 838 CE2 PHE A 54 -7.942 0.884 4.159 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.037 1.490 2.891 1.00 0.11 C ATOM 0 H PHE A 54 -5.323 -2.490 4.890 1.00 0.18 H new ATOM 0 HA PHE A 54 -3.915 -1.332 2.502 1.00 0.18 H new ATOM 0 HB2 PHE A 54 -4.269 -0.220 5.334 1.00 0.18 H new ATOM 0 HB3 PHE A 54 -3.452 0.596 4.016 1.00 0.18 H new ATOM 0 HD1 PHE A 54 -4.796 1.120 1.873 1.00 0.16 H new ATOM 0 HD2 PHE A 54 -6.641 -0.104 5.571 1.00 0.14 H new ATOM 0 HE1 PHE A 54 -6.974 2.039 1.092 1.00 0.14 H new ATOM 0 HE2 PHE A 54 -8.814 0.820 4.793 1.00 0.11 H new ATOM 0 HZ PHE A 54 -8.982 1.890 2.553 1.00 0.11 H new ATOM 849 N LEU A 55 -1.664 -2.095 3.287 1.00 0.20 N ATOM 850 CA LEU A 55 -0.331 -2.609 3.731 1.00 0.22 C ATOM 851 C LEU A 55 0.655 -1.438 3.763 1.00 0.15 C ATOM 852 O LEU A 55 0.699 -0.632 2.854 1.00 0.05 O ATOM 853 CB LEU A 55 0.171 -3.664 2.734 1.00 0.28 C ATOM 854 CG LEU A 55 -0.492 -5.019 3.013 1.00 0.28 C ATOM 855 CD1 LEU A 55 -2.004 -4.938 2.750 1.00 0.40 C ATOM 856 CD2 LEU A 55 0.132 -6.075 2.095 1.00 0.40 C ATOM 0 H LEU A 55 -1.713 -1.831 2.303 1.00 0.20 H new ATOM 0 HA LEU A 55 -0.416 -3.060 4.720 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -0.051 -3.346 1.715 1.00 0.28 H new ATOM 0 HB3 LEU A 55 1.254 -3.759 2.810 1.00 0.28 H new ATOM 0 HG LEU A 55 -0.334 -5.289 4.057 1.00 0.28 H new ATOM 0 HD11 LEU A 55 -2.461 -5.907 2.952 1.00 0.40 H new ATOM 0 HD12 LEU A 55 -2.447 -4.185 3.402 1.00 0.40 H new ATOM 0 HD13 LEU A 55 -2.178 -4.665 1.709 1.00 0.40 H new ATOM 0 HD21 LEU A 55 -0.332 -7.043 2.285 1.00 0.40 H new ATOM 0 HD22 LEU A 55 -0.029 -5.793 1.054 1.00 0.40 H new ATOM 0 HD23 LEU A 55 1.202 -6.141 2.291 1.00 0.40 H new ATOM 868 N GLU A 56 1.450 -1.342 4.800 1.00 0.21 N ATOM 869 CA GLU A 56 2.447 -0.228 4.904 1.00 0.15 C ATOM 870 C GLU A 56 3.854 -0.815 4.812 1.00 0.17 C ATOM 871 O GLU A 56 4.326 -1.471 5.720 1.00 0.24 O ATOM 872 CB GLU A 56 2.277 0.483 6.249 1.00 0.18 C ATOM 873 CG GLU A 56 3.123 1.757 6.260 1.00 0.48 C ATOM 874 CD GLU A 56 3.006 2.436 7.627 1.00 0.63 C ATOM 875 OE1 GLU A 56 3.361 1.807 8.611 1.00 1.59 O ATOM 876 OE2 GLU A 56 2.563 3.571 7.667 1.00 1.37 O ATOM 0 H GLU A 56 1.452 -1.992 5.586 1.00 0.21 H new ATOM 0 HA GLU A 56 2.291 0.487 4.096 1.00 0.15 H new ATOM 0 HB2 GLU A 56 1.228 0.728 6.413 1.00 0.18 H new ATOM 0 HB3 GLU A 56 2.581 -0.176 7.062 1.00 0.18 H new ATOM 0 HG2 GLU A 56 4.165 1.516 6.050 1.00 0.48 H new ATOM 0 HG3 GLU A 56 2.788 2.435 5.475 1.00 0.48 H new ATOM 883 N VAL A 57 4.524 -0.593 3.709 1.00 0.12 N ATOM 884 CA VAL A 57 5.902 -1.143 3.525 1.00 0.15 C ATOM 885 C VAL A 57 6.934 -0.024 3.674 1.00 0.14 C ATOM 886 O VAL A 57 6.831 1.015 3.053 1.00 0.09 O ATOM 887 CB VAL A 57 6.011 -1.741 2.122 1.00 0.16 C ATOM 888 CG1 VAL A 57 7.305 -2.547 2.005 1.00 0.27 C ATOM 889 CG2 VAL A 57 4.812 -2.656 1.868 1.00 0.17 C ATOM 0 H VAL A 57 4.172 -0.049 2.921 1.00 0.12 H new ATOM 0 HA VAL A 57 6.092 -1.908 4.278 1.00 0.15 H new ATOM 0 HB VAL A 57 6.021 -0.939 1.384 1.00 0.16 H new ATOM 0 HG11 VAL A 57 7.380 -2.972 1.004 1.00 0.27 H new ATOM 0 HG12 VAL A 57 8.158 -1.894 2.186 1.00 0.27 H new ATOM 0 HG13 VAL A 57 7.301 -3.351 2.741 1.00 0.27 H new ATOM 0 HG21 VAL A 57 4.886 -3.084 0.868 1.00 0.17 H new ATOM 0 HG22 VAL A 57 4.803 -3.458 2.606 1.00 0.17 H new ATOM 0 HG23 VAL A 57 3.891 -2.079 1.948 1.00 0.17 H new ATOM 899 N ASP A 58 7.935 -0.235 4.488 1.00 0.19 N ATOM 900 CA ASP A 58 8.990 0.808 4.678 1.00 0.18 C ATOM 901 C ASP A 58 10.176 0.484 3.768 1.00 0.18 C ATOM 902 O ASP A 58 10.825 -0.533 3.918 1.00 0.17 O ATOM 903 CB ASP A 58 9.446 0.806 6.141 1.00 0.18 C ATOM 904 CG ASP A 58 10.216 2.093 6.443 1.00 0.15 C ATOM 905 OD1 ASP A 58 9.882 3.111 5.860 1.00 0.90 O ATOM 906 OD2 ASP A 58 11.126 2.038 7.254 1.00 1.11 O ATOM 0 H ASP A 58 8.069 -1.087 5.032 1.00 0.19 H new ATOM 0 HA ASP A 58 8.593 1.791 4.427 1.00 0.18 H new ATOM 0 HB2 ASP A 58 8.582 0.724 6.801 1.00 0.18 H new ATOM 0 HB3 ASP A 58 10.078 -0.061 6.334 1.00 0.18 H new ATOM 911 N VAL A 59 10.458 1.331 2.816 1.00 0.20 N ATOM 912 CA VAL A 59 11.594 1.059 1.887 1.00 0.20 C ATOM 913 C VAL A 59 12.922 1.036 2.655 1.00 0.21 C ATOM 914 O VAL A 59 13.980 0.950 2.064 1.00 0.59 O ATOM 915 CB VAL A 59 11.644 2.148 0.812 1.00 0.18 C ATOM 916 CG1 VAL A 59 10.408 2.040 -0.082 1.00 0.25 C ATOM 917 CG2 VAL A 59 11.669 3.525 1.478 1.00 0.13 C ATOM 0 H VAL A 59 9.952 2.199 2.641 1.00 0.20 H new ATOM 0 HA VAL A 59 11.442 0.086 1.421 1.00 0.20 H new ATOM 0 HB VAL A 59 12.543 2.019 0.209 1.00 0.18 H new ATOM 0 HG11 VAL A 59 10.444 2.815 -0.847 1.00 0.25 H new ATOM 0 HG12 VAL A 59 10.388 1.060 -0.559 1.00 0.25 H new ATOM 0 HG13 VAL A 59 9.510 2.168 0.522 1.00 0.25 H new ATOM 0 HG21 VAL A 59 11.705 4.299 0.712 1.00 0.13 H new ATOM 0 HG22 VAL A 59 10.771 3.653 2.082 1.00 0.13 H new ATOM 0 HG23 VAL A 59 12.549 3.605 2.116 1.00 0.13 H new ATOM 927 N ASP A 60 12.877 1.110 3.965 1.00 0.31 N ATOM 928 CA ASP A 60 14.138 1.089 4.780 1.00 0.28 C ATOM 929 C ASP A 60 14.189 -0.200 5.603 1.00 0.28 C ATOM 930 O ASP A 60 15.231 -0.803 5.763 1.00 0.34 O ATOM 931 CB ASP A 60 14.155 2.299 5.725 1.00 0.20 C ATOM 932 CG ASP A 60 14.541 3.557 4.941 1.00 0.32 C ATOM 933 OD1 ASP A 60 14.184 3.639 3.777 1.00 0.82 O ATOM 934 OD2 ASP A 60 15.191 4.413 5.517 1.00 0.97 O ATOM 0 H ASP A 60 12.017 1.184 4.509 1.00 0.31 H new ATOM 0 HA ASP A 60 15.002 1.133 4.117 1.00 0.28 H new ATOM 0 HB2 ASP A 60 13.174 2.430 6.182 1.00 0.20 H new ATOM 0 HB3 ASP A 60 14.865 2.131 6.535 1.00 0.20 H new ATOM 939 N ASP A 61 13.073 -0.629 6.127 1.00 0.24 N ATOM 940 CA ASP A 61 13.057 -1.881 6.939 1.00 0.28 C ATOM 941 C ASP A 61 12.848 -3.087 6.019 1.00 0.31 C ATOM 942 O ASP A 61 13.468 -4.118 6.185 1.00 0.39 O ATOM 943 CB ASP A 61 11.914 -1.813 7.953 1.00 0.25 C ATOM 944 CG ASP A 61 12.053 -2.960 8.957 1.00 0.75 C ATOM 945 OD1 ASP A 61 13.161 -3.189 9.415 1.00 0.59 O ATOM 946 OD2 ASP A 61 11.050 -3.589 9.249 1.00 1.74 O ATOM 0 H ASP A 61 12.170 -0.166 6.028 1.00 0.24 H new ATOM 0 HA ASP A 61 14.007 -1.985 7.463 1.00 0.28 H new ATOM 0 HB2 ASP A 61 11.932 -0.856 8.474 1.00 0.25 H new ATOM 0 HB3 ASP A 61 10.954 -1.879 7.440 1.00 0.25 H new ATOM 951 N ALA A 62 11.973 -2.964 5.051 1.00 0.26 N ATOM 952 CA ALA A 62 11.709 -4.101 4.113 1.00 0.28 C ATOM 953 C ALA A 62 12.406 -3.837 2.777 1.00 0.25 C ATOM 954 O ALA A 62 11.806 -3.922 1.725 1.00 0.31 O ATOM 955 CB ALA A 62 10.202 -4.223 3.881 1.00 0.33 C ATOM 0 H ALA A 62 11.428 -2.121 4.869 1.00 0.26 H new ATOM 0 HA ALA A 62 12.092 -5.025 4.545 1.00 0.28 H new ATOM 0 HB1 ALA A 62 10.005 -5.050 3.199 1.00 0.33 H new ATOM 0 HB2 ALA A 62 9.702 -4.410 4.831 1.00 0.33 H new ATOM 0 HB3 ALA A 62 9.824 -3.297 3.448 1.00 0.33 H new ATOM 961 N GLN A 63 13.672 -3.518 2.810 1.00 0.18 N ATOM 962 CA GLN A 63 14.406 -3.252 1.541 1.00 0.16 C ATOM 963 C GLN A 63 14.321 -4.484 0.636 1.00 0.16 C ATOM 964 O GLN A 63 14.637 -4.427 -0.535 1.00 0.14 O ATOM 965 CB GLN A 63 15.873 -2.947 1.852 1.00 0.16 C ATOM 966 CG GLN A 63 15.955 -1.728 2.773 1.00 1.04 C ATOM 967 CD GLN A 63 17.418 -1.456 3.129 1.00 1.25 C ATOM 968 OE1 GLN A 63 18.075 -2.289 3.723 1.00 0.88 O ATOM 969 NE2 GLN A 63 17.959 -0.319 2.791 1.00 2.28 N ATOM 0 H GLN A 63 14.228 -3.430 3.660 1.00 0.18 H new ATOM 0 HA GLN A 63 13.958 -2.397 1.035 1.00 0.16 H new ATOM 0 HB2 GLN A 63 16.342 -3.808 2.328 1.00 0.16 H new ATOM 0 HB3 GLN A 63 16.420 -2.756 0.929 1.00 0.16 H new ATOM 0 HG2 GLN A 63 15.521 -0.857 2.281 1.00 1.04 H new ATOM 0 HG3 GLN A 63 15.376 -1.904 3.679 1.00 1.04 H new ATOM 0 HE21 GLN A 63 17.408 0.380 2.293 1.00 2.28 H new ATOM 0 HE22 GLN A 63 18.933 -0.128 3.025 1.00 2.28 H new ATOM 978 N ASP A 64 13.893 -5.596 1.168 1.00 0.20 N ATOM 979 CA ASP A 64 13.784 -6.825 0.335 1.00 0.22 C ATOM 980 C ASP A 64 12.596 -6.675 -0.614 1.00 0.22 C ATOM 981 O ASP A 64 12.672 -7.010 -1.779 1.00 0.23 O ATOM 982 CB ASP A 64 13.566 -8.041 1.238 1.00 0.21 C ATOM 983 CG ASP A 64 12.509 -7.711 2.293 1.00 0.37 C ATOM 984 OD1 ASP A 64 12.812 -6.936 3.185 1.00 1.15 O ATOM 985 OD2 ASP A 64 11.414 -8.240 2.192 1.00 0.49 O ATOM 0 H ASP A 64 13.614 -5.706 2.143 1.00 0.20 H new ATOM 0 HA ASP A 64 14.701 -6.965 -0.237 1.00 0.22 H new ATOM 0 HB2 ASP A 64 13.246 -8.896 0.643 1.00 0.21 H new ATOM 0 HB3 ASP A 64 14.502 -8.321 1.721 1.00 0.21 H new ATOM 990 N VAL A 65 11.501 -6.163 -0.124 1.00 0.21 N ATOM 991 CA VAL A 65 10.310 -5.978 -0.998 1.00 0.20 C ATOM 992 C VAL A 65 10.554 -4.788 -1.927 1.00 0.21 C ATOM 993 O VAL A 65 10.139 -4.781 -3.068 1.00 0.23 O ATOM 994 CB VAL A 65 9.078 -5.705 -0.133 1.00 0.19 C ATOM 995 CG1 VAL A 65 7.846 -5.568 -1.029 1.00 0.22 C ATOM 996 CG2 VAL A 65 8.874 -6.868 0.841 1.00 0.20 C ATOM 0 H VAL A 65 11.380 -5.865 0.844 1.00 0.21 H new ATOM 0 HA VAL A 65 10.143 -6.879 -1.588 1.00 0.20 H new ATOM 0 HB VAL A 65 9.223 -4.781 0.427 1.00 0.19 H new ATOM 0 HG11 VAL A 65 6.968 -5.374 -0.413 1.00 0.22 H new ATOM 0 HG12 VAL A 65 7.992 -4.741 -1.724 1.00 0.22 H new ATOM 0 HG13 VAL A 65 7.699 -6.491 -1.589 1.00 0.22 H new ATOM 0 HG21 VAL A 65 7.997 -6.676 1.459 1.00 0.20 H new ATOM 0 HG22 VAL A 65 8.728 -7.791 0.280 1.00 0.20 H new ATOM 0 HG23 VAL A 65 9.752 -6.967 1.479 1.00 0.20 H new ATOM 1006 N ALA A 66 11.231 -3.781 -1.442 1.00 0.20 N ATOM 1007 CA ALA A 66 11.509 -2.592 -2.293 1.00 0.21 C ATOM 1008 C ALA A 66 12.451 -2.994 -3.428 1.00 0.21 C ATOM 1009 O ALA A 66 12.336 -2.522 -4.542 1.00 0.20 O ATOM 1010 CB ALA A 66 12.167 -1.501 -1.446 1.00 0.23 C ATOM 0 H ALA A 66 11.603 -3.732 -0.493 1.00 0.20 H new ATOM 0 HA ALA A 66 10.575 -2.213 -2.709 1.00 0.21 H new ATOM 0 HB1 ALA A 66 12.371 -0.630 -2.069 1.00 0.23 H new ATOM 0 HB2 ALA A 66 11.498 -1.218 -0.634 1.00 0.23 H new ATOM 0 HB3 ALA A 66 13.102 -1.877 -1.031 1.00 0.23 H new ATOM 1016 N SER A 67 13.383 -3.862 -3.154 1.00 0.22 N ATOM 1017 CA SER A 67 14.335 -4.298 -4.213 1.00 0.22 C ATOM 1018 C SER A 67 13.593 -5.156 -5.243 1.00 0.23 C ATOM 1019 O SER A 67 13.721 -4.961 -6.435 1.00 0.27 O ATOM 1020 CB SER A 67 15.459 -5.118 -3.577 1.00 0.23 C ATOM 1021 OG SER A 67 16.353 -4.242 -2.902 1.00 0.89 O ATOM 0 H SER A 67 13.527 -4.290 -2.239 1.00 0.22 H new ATOM 0 HA SER A 67 14.758 -3.424 -4.708 1.00 0.22 H new ATOM 0 HB2 SER A 67 15.045 -5.844 -2.877 1.00 0.23 H new ATOM 0 HB3 SER A 67 15.992 -5.682 -4.343 1.00 0.23 H new ATOM 0 HG SER A 67 16.039 -4.097 -1.985 1.00 0.89 H new ATOM 1027 N GLU A 68 12.821 -6.107 -4.791 1.00 0.20 N ATOM 1028 CA GLU A 68 12.074 -6.976 -5.744 1.00 0.20 C ATOM 1029 C GLU A 68 11.087 -6.126 -6.547 1.00 0.19 C ATOM 1030 O GLU A 68 11.018 -6.214 -7.757 1.00 0.18 O ATOM 1031 CB GLU A 68 11.308 -8.049 -4.960 1.00 0.19 C ATOM 1032 CG GLU A 68 10.768 -9.116 -5.920 1.00 0.28 C ATOM 1033 CD GLU A 68 9.570 -8.556 -6.689 1.00 1.29 C ATOM 1034 OE1 GLU A 68 8.650 -8.075 -6.048 1.00 2.05 O ATOM 1035 OE2 GLU A 68 9.591 -8.620 -7.907 1.00 1.90 O ATOM 0 H GLU A 68 12.676 -6.319 -3.804 1.00 0.20 H new ATOM 0 HA GLU A 68 12.776 -7.455 -6.427 1.00 0.20 H new ATOM 0 HB2 GLU A 68 11.965 -8.511 -4.223 1.00 0.19 H new ATOM 0 HB3 GLU A 68 10.485 -7.592 -4.411 1.00 0.19 H new ATOM 0 HG2 GLU A 68 11.549 -9.422 -6.616 1.00 0.28 H new ATOM 0 HG3 GLU A 68 10.472 -10.005 -5.363 1.00 0.28 H new ATOM 1042 N ALA A 69 10.321 -5.304 -5.883 1.00 0.21 N ATOM 1043 CA ALA A 69 9.337 -4.452 -6.610 1.00 0.20 C ATOM 1044 C ALA A 69 10.076 -3.313 -7.325 1.00 0.24 C ATOM 1045 O ALA A 69 9.464 -2.434 -7.896 1.00 0.25 O ATOM 1046 CB ALA A 69 8.324 -3.882 -5.607 1.00 0.18 C ATOM 0 H ALA A 69 10.334 -5.185 -4.870 1.00 0.21 H new ATOM 0 HA ALA A 69 8.807 -5.048 -7.353 1.00 0.20 H new ATOM 0 HB1 ALA A 69 7.602 -3.258 -6.134 1.00 0.18 H new ATOM 0 HB2 ALA A 69 7.802 -4.701 -5.111 1.00 0.18 H new ATOM 0 HB3 ALA A 69 8.847 -3.282 -4.863 1.00 0.18 H new ATOM 1052 N GLU A 70 11.387 -3.334 -7.295 1.00 0.26 N ATOM 1053 CA GLU A 70 12.203 -2.272 -7.969 1.00 0.31 C ATOM 1054 C GLU A 70 11.554 -0.900 -7.784 1.00 0.30 C ATOM 1055 O GLU A 70 11.425 -0.128 -8.712 1.00 0.29 O ATOM 1056 CB GLU A 70 12.369 -2.588 -9.467 1.00 0.34 C ATOM 1057 CG GLU A 70 11.008 -2.695 -10.166 1.00 1.49 C ATOM 1058 CD GLU A 70 11.223 -2.752 -11.680 1.00 1.61 C ATOM 1059 OE1 GLU A 70 11.404 -1.702 -12.272 1.00 2.48 O ATOM 1060 OE2 GLU A 70 11.201 -3.846 -12.221 1.00 1.53 O ATOM 0 H GLU A 70 11.936 -4.054 -6.824 1.00 0.26 H new ATOM 0 HA GLU A 70 13.190 -2.253 -7.508 1.00 0.31 H new ATOM 0 HB2 GLU A 70 12.964 -1.808 -9.942 1.00 0.34 H new ATOM 0 HB3 GLU A 70 12.916 -3.523 -9.586 1.00 0.34 H new ATOM 0 HG2 GLU A 70 10.481 -3.587 -9.828 1.00 1.49 H new ATOM 0 HG3 GLU A 70 10.385 -1.839 -9.907 1.00 1.49 H new ATOM 1067 N VAL A 71 11.154 -0.590 -6.583 1.00 0.30 N ATOM 1068 CA VAL A 71 10.517 0.734 -6.327 1.00 0.29 C ATOM 1069 C VAL A 71 11.603 1.794 -6.136 1.00 0.28 C ATOM 1070 O VAL A 71 12.237 1.866 -5.102 1.00 0.36 O ATOM 1071 CB VAL A 71 9.660 0.653 -5.061 1.00 0.34 C ATOM 1072 CG1 VAL A 71 8.742 1.874 -4.986 1.00 0.32 C ATOM 1073 CG2 VAL A 71 8.811 -0.617 -5.103 1.00 0.44 C ATOM 0 H VAL A 71 11.240 -1.195 -5.767 1.00 0.30 H new ATOM 0 HA VAL A 71 9.889 1.003 -7.176 1.00 0.29 H new ATOM 0 HB VAL A 71 10.308 0.631 -4.185 1.00 0.34 H new ATOM 0 HG11 VAL A 71 8.132 1.816 -4.085 1.00 0.32 H new ATOM 0 HG12 VAL A 71 9.345 2.782 -4.958 1.00 0.32 H new ATOM 0 HG13 VAL A 71 8.094 1.896 -5.862 1.00 0.32 H new ATOM 0 HG21 VAL A 71 8.200 -0.676 -4.202 1.00 0.44 H new ATOM 0 HG22 VAL A 71 8.164 -0.593 -5.980 1.00 0.44 H new ATOM 0 HG23 VAL A 71 9.463 -1.489 -5.157 1.00 0.44 H new ATOM 1083 N LYS A 72 11.820 2.619 -7.133 1.00 0.19 N ATOM 1084 CA LYS A 72 12.863 3.690 -7.038 1.00 0.19 C ATOM 1085 C LYS A 72 12.190 5.059 -7.179 1.00 0.17 C ATOM 1086 O LYS A 72 12.800 6.021 -7.602 1.00 0.26 O ATOM 1087 CB LYS A 72 13.879 3.507 -8.172 1.00 0.16 C ATOM 1088 CG LYS A 72 14.592 2.150 -8.031 1.00 0.57 C ATOM 1089 CD LYS A 72 15.766 2.265 -7.050 1.00 0.71 C ATOM 1090 CE LYS A 72 16.531 0.941 -7.014 1.00 1.24 C ATOM 1091 NZ LYS A 72 17.042 0.625 -8.377 1.00 1.69 N ATOM 0 H LYS A 72 11.313 2.595 -8.018 1.00 0.19 H new ATOM 0 HA LYS A 72 13.372 3.626 -6.076 1.00 0.19 H new ATOM 0 HB2 LYS A 72 13.373 3.562 -9.136 1.00 0.16 H new ATOM 0 HB3 LYS A 72 14.610 4.315 -8.149 1.00 0.16 H new ATOM 0 HG2 LYS A 72 13.888 1.396 -7.679 1.00 0.57 H new ATOM 0 HG3 LYS A 72 14.954 1.819 -9.004 1.00 0.57 H new ATOM 0 HD2 LYS A 72 16.431 3.073 -7.355 1.00 0.71 H new ATOM 0 HD3 LYS A 72 15.399 2.513 -6.054 1.00 0.71 H new ATOM 0 HE2 LYS A 72 17.360 1.007 -6.309 1.00 1.24 H new ATOM 0 HE3 LYS A 72 15.878 0.141 -6.664 1.00 1.24 H new ATOM 0 HZ1 LYS A 72 17.865 -0.007 -8.301 1.00 1.69 H new ATOM 0 HZ2 LYS A 72 16.295 0.156 -8.928 1.00 1.69 H new ATOM 0 HZ3 LYS A 72 17.324 1.505 -8.855 1.00 1.69 H new ATOM 1105 N ALA A 73 10.935 5.150 -6.826 1.00 0.15 N ATOM 1106 CA ALA A 73 10.215 6.454 -6.935 1.00 0.20 C ATOM 1107 C ALA A 73 9.110 6.509 -5.878 1.00 0.18 C ATOM 1108 O ALA A 73 7.971 6.180 -6.138 1.00 0.28 O ATOM 1109 CB ALA A 73 9.593 6.578 -8.328 1.00 0.21 C ATOM 0 H ALA A 73 10.376 4.376 -6.466 1.00 0.15 H new ATOM 0 HA ALA A 73 10.916 7.274 -6.776 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.067 7.529 -8.408 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.378 6.532 -9.083 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.890 5.760 -8.487 1.00 0.21 H new ATOM 1115 N THR A 74 9.440 6.923 -4.683 1.00 0.06 N ATOM 1116 CA THR A 74 8.417 7.001 -3.594 1.00 0.03 C ATOM 1117 C THR A 74 7.880 8.443 -3.519 1.00 0.08 C ATOM 1118 O THR A 74 8.582 9.361 -3.894 1.00 0.11 O ATOM 1119 CB THR A 74 9.099 6.638 -2.265 1.00 0.04 C ATOM 1120 OG1 THR A 74 10.397 7.217 -2.233 1.00 0.20 O ATOM 1121 CG2 THR A 74 9.221 5.116 -2.142 1.00 0.20 C ATOM 0 H THR A 74 10.380 7.213 -4.411 1.00 0.06 H new ATOM 0 HA THR A 74 7.593 6.315 -3.790 1.00 0.03 H new ATOM 0 HB THR A 74 8.502 7.019 -1.436 1.00 0.04 H new ATOM 0 HG1 THR A 74 10.836 6.990 -1.387 1.00 0.20 H new ATOM 0 HG21 THR A 74 9.705 4.865 -1.198 1.00 0.20 H new ATOM 0 HG22 THR A 74 8.228 4.668 -2.171 1.00 0.20 H new ATOM 0 HG23 THR A 74 9.817 4.731 -2.969 1.00 0.20 H new ATOM 1129 N PRO A 75 6.666 8.628 -3.024 1.00 0.10 N ATOM 1130 CA PRO A 75 5.767 7.542 -2.553 1.00 0.09 C ATOM 1131 C PRO A 75 5.109 6.834 -3.751 1.00 0.09 C ATOM 1132 O PRO A 75 4.895 7.423 -4.792 1.00 0.12 O ATOM 1133 CB PRO A 75 4.697 8.278 -1.711 1.00 0.14 C ATOM 1134 CG PRO A 75 4.842 9.800 -2.008 1.00 0.17 C ATOM 1135 CD PRO A 75 6.110 9.983 -2.873 1.00 0.15 C ATOM 0 HA PRO A 75 6.295 6.775 -1.987 1.00 0.09 H new ATOM 0 HB2 PRO A 75 3.697 7.929 -1.970 1.00 0.14 H new ATOM 0 HB3 PRO A 75 4.839 8.078 -0.649 1.00 0.14 H new ATOM 0 HG2 PRO A 75 3.963 10.174 -2.532 1.00 0.17 H new ATOM 0 HG3 PRO A 75 4.925 10.366 -1.080 1.00 0.17 H new ATOM 0 HD2 PRO A 75 5.868 10.420 -3.841 1.00 0.15 H new ATOM 0 HD3 PRO A 75 6.824 10.651 -2.391 1.00 0.15 H new ATOM 1143 N THR A 76 4.777 5.574 -3.598 1.00 0.13 N ATOM 1144 CA THR A 76 4.117 4.820 -4.712 1.00 0.13 C ATOM 1145 C THR A 76 3.010 3.934 -4.135 1.00 0.13 C ATOM 1146 O THR A 76 3.139 3.389 -3.058 1.00 0.15 O ATOM 1147 CB THR A 76 5.153 3.947 -5.430 1.00 0.14 C ATOM 1148 OG1 THR A 76 6.080 4.782 -6.107 1.00 0.13 O ATOM 1149 CG2 THR A 76 4.454 3.037 -6.441 1.00 0.15 C ATOM 0 H THR A 76 4.935 5.034 -2.747 1.00 0.13 H new ATOM 0 HA THR A 76 3.688 5.525 -5.424 1.00 0.13 H new ATOM 0 HB THR A 76 5.677 3.332 -4.698 1.00 0.14 H new ATOM 0 HG1 THR A 76 6.739 5.124 -5.468 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.195 2.419 -6.948 1.00 0.15 H new ATOM 0 HG22 THR A 76 3.741 2.396 -5.922 1.00 0.15 H new ATOM 0 HG23 THR A 76 3.926 3.646 -7.175 1.00 0.15 H new ATOM 1157 N PHE A 77 1.920 3.789 -4.850 1.00 0.15 N ATOM 1158 CA PHE A 77 0.783 2.940 -4.365 1.00 0.17 C ATOM 1159 C PHE A 77 0.459 1.880 -5.420 1.00 0.19 C ATOM 1160 O PHE A 77 0.223 2.191 -6.570 1.00 0.21 O ATOM 1161 CB PHE A 77 -0.448 3.821 -4.142 1.00 0.15 C ATOM 1162 CG PHE A 77 -0.165 4.818 -3.044 1.00 0.15 C ATOM 1163 CD1 PHE A 77 0.446 6.049 -3.350 1.00 0.19 C ATOM 1164 CD2 PHE A 77 -0.514 4.518 -1.712 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.710 6.979 -2.326 1.00 0.21 C ATOM 1166 CE2 PHE A 77 -0.250 5.448 -0.689 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.361 6.678 -0.995 1.00 0.17 C ATOM 0 H PHE A 77 1.767 4.227 -5.758 1.00 0.15 H new ATOM 0 HA PHE A 77 1.061 2.455 -3.429 1.00 0.17 H new ATOM 0 HB2 PHE A 77 -0.706 4.343 -5.063 1.00 0.15 H new ATOM 0 HB3 PHE A 77 -1.306 3.204 -3.875 1.00 0.15 H new ATOM 0 HD1 PHE A 77 0.712 6.280 -4.371 1.00 0.19 H new ATOM 0 HD2 PHE A 77 -0.984 3.575 -1.476 1.00 0.14 H new ATOM 0 HE1 PHE A 77 1.180 7.923 -2.561 1.00 0.21 H new ATOM 0 HE2 PHE A 77 -0.517 5.217 0.332 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.562 7.391 -0.209 1.00 0.17 H new ATOM 1177 N GLN A 78 0.445 0.626 -5.033 1.00 0.18 N ATOM 1178 CA GLN A 78 0.137 -0.478 -6.001 1.00 0.21 C ATOM 1179 C GLN A 78 -1.166 -1.165 -5.582 1.00 0.21 C ATOM 1180 O GLN A 78 -1.440 -1.335 -4.411 1.00 0.27 O ATOM 1181 CB GLN A 78 1.278 -1.498 -5.985 1.00 0.28 C ATOM 1182 CG GLN A 78 2.533 -0.872 -6.600 1.00 0.22 C ATOM 1183 CD GLN A 78 3.577 -1.960 -6.862 1.00 0.99 C ATOM 1184 OE1 GLN A 78 3.816 -2.854 -5.943 1.00 1.87 O flip ATOM 1185 NE2 GLN A 78 4.182 -1.995 -7.915 1.00 0.83 N flip ATOM 0 H GLN A 78 0.635 0.317 -4.080 1.00 0.18 H new ATOM 0 HA GLN A 78 0.029 -0.068 -7.005 1.00 0.21 H new ATOM 0 HB2 GLN A 78 1.481 -1.816 -4.962 1.00 0.28 H new ATOM 0 HB3 GLN A 78 0.992 -2.388 -6.545 1.00 0.28 H new ATOM 0 HG2 GLN A 78 2.279 -0.366 -7.532 1.00 0.22 H new ATOM 0 HG3 GLN A 78 2.941 -0.117 -5.928 1.00 0.22 H new ATOM 0 HE21 GLN A 78 3.995 -1.296 -8.634 1.00 0.83 H new ATOM 0 HE22 GLN A 78 4.877 -2.723 -8.080 1.00 0.83 H new ATOM 1194 N PHE A 79 -1.974 -1.555 -6.537 1.00 0.19 N ATOM 1195 CA PHE A 79 -3.272 -2.229 -6.218 1.00 0.19 C ATOM 1196 C PHE A 79 -3.157 -3.726 -6.509 1.00 0.23 C ATOM 1197 O PHE A 79 -3.033 -4.136 -7.647 1.00 0.33 O ATOM 1198 CB PHE A 79 -4.375 -1.627 -7.092 1.00 0.15 C ATOM 1199 CG PHE A 79 -4.676 -0.221 -6.624 1.00 0.14 C ATOM 1200 CD1 PHE A 79 -3.721 0.797 -6.809 1.00 0.13 C ATOM 1201 CD2 PHE A 79 -5.905 0.071 -6.000 1.00 0.16 C ATOM 1202 CE1 PHE A 79 -3.993 2.106 -6.369 1.00 0.13 C ATOM 1203 CE2 PHE A 79 -6.177 1.381 -5.560 1.00 0.16 C ATOM 1204 CZ PHE A 79 -5.220 2.398 -5.744 1.00 0.14 C ATOM 0 H PHE A 79 -1.788 -1.434 -7.533 1.00 0.19 H new ATOM 0 HA PHE A 79 -3.512 -2.083 -5.165 1.00 0.19 H new ATOM 0 HB2 PHE A 79 -4.061 -1.615 -8.136 1.00 0.15 H new ATOM 0 HB3 PHE A 79 -5.274 -2.241 -7.036 1.00 0.15 H new ATOM 0 HD1 PHE A 79 -2.780 0.573 -7.289 1.00 0.13 H new ATOM 0 HD2 PHE A 79 -6.638 -0.709 -5.859 1.00 0.16 H new ATOM 0 HE1 PHE A 79 -3.260 2.887 -6.511 1.00 0.13 H new ATOM 0 HE2 PHE A 79 -7.119 1.606 -5.082 1.00 0.16 H new ATOM 0 HZ PHE A 79 -5.428 3.402 -5.405 1.00 0.14 H new ATOM 1214 N PHE A 80 -3.200 -4.544 -5.486 1.00 0.21 N ATOM 1215 CA PHE A 80 -3.100 -6.027 -5.680 1.00 0.24 C ATOM 1216 C PHE A 80 -4.427 -6.678 -5.288 1.00 0.22 C ATOM 1217 O PHE A 80 -5.153 -6.180 -4.451 1.00 0.23 O ATOM 1218 CB PHE A 80 -1.985 -6.583 -4.787 1.00 0.31 C ATOM 1219 CG PHE A 80 -0.638 -6.257 -5.389 1.00 0.30 C ATOM 1220 CD1 PHE A 80 -0.145 -7.017 -6.467 1.00 0.54 C ATOM 1221 CD2 PHE A 80 0.126 -5.196 -4.868 1.00 0.11 C ATOM 1222 CE1 PHE A 80 1.113 -6.715 -7.025 1.00 0.63 C ATOM 1223 CE2 PHE A 80 1.383 -4.895 -5.424 1.00 0.24 C ATOM 1224 CZ PHE A 80 1.877 -5.653 -6.502 1.00 0.49 C ATOM 0 H PHE A 80 -3.301 -4.246 -4.516 1.00 0.21 H new ATOM 0 HA PHE A 80 -2.877 -6.244 -6.725 1.00 0.24 H new ATOM 0 HB2 PHE A 80 -2.060 -6.156 -3.787 1.00 0.31 H new ATOM 0 HB3 PHE A 80 -2.095 -7.662 -4.681 1.00 0.31 H new ATOM 0 HD1 PHE A 80 -0.731 -7.832 -6.866 1.00 0.54 H new ATOM 0 HD2 PHE A 80 -0.253 -4.613 -4.041 1.00 0.11 H new ATOM 0 HE1 PHE A 80 1.491 -7.297 -7.853 1.00 0.63 H new ATOM 0 HE2 PHE A 80 1.969 -4.081 -5.023 1.00 0.24 H new ATOM 0 HZ PHE A 80 2.842 -5.421 -6.928 1.00 0.49 H new ATOM 1234 N LYS A 81 -4.744 -7.793 -5.887 1.00 0.24 N ATOM 1235 CA LYS A 81 -6.018 -8.491 -5.555 1.00 0.23 C ATOM 1236 C LYS A 81 -5.856 -9.982 -5.861 1.00 0.25 C ATOM 1237 O LYS A 81 -5.335 -10.355 -6.892 1.00 0.28 O ATOM 1238 CB LYS A 81 -7.155 -7.905 -6.401 1.00 0.22 C ATOM 1239 CG LYS A 81 -8.509 -8.297 -5.795 1.00 0.57 C ATOM 1240 CD LYS A 81 -9.651 -7.594 -6.554 1.00 0.26 C ATOM 1241 CE LYS A 81 -9.889 -6.192 -5.979 1.00 1.82 C ATOM 1242 NZ LYS A 81 -11.052 -5.566 -6.666 1.00 2.97 N ATOM 0 H LYS A 81 -4.172 -8.253 -6.596 1.00 0.24 H new ATOM 0 HA LYS A 81 -6.256 -8.357 -4.500 1.00 0.23 H new ATOM 0 HB2 LYS A 81 -7.066 -6.819 -6.444 1.00 0.22 H new ATOM 0 HB3 LYS A 81 -7.085 -8.272 -7.425 1.00 0.22 H new ATOM 0 HG2 LYS A 81 -8.640 -9.378 -5.845 1.00 0.57 H new ATOM 0 HG3 LYS A 81 -8.538 -8.021 -4.741 1.00 0.57 H new ATOM 0 HD2 LYS A 81 -9.403 -7.523 -7.613 1.00 0.26 H new ATOM 0 HD3 LYS A 81 -10.564 -8.185 -6.479 1.00 0.26 H new ATOM 0 HE2 LYS A 81 -10.076 -6.254 -4.907 1.00 1.82 H new ATOM 0 HE3 LYS A 81 -8.999 -5.576 -6.112 1.00 1.82 H new ATOM 0 HZ1 LYS A 81 -11.225 -4.622 -6.265 1.00 2.97 H new ATOM 0 HZ2 LYS A 81 -10.849 -5.479 -7.682 1.00 2.97 H new ATOM 0 HZ3 LYS A 81 -11.895 -6.159 -6.531 1.00 2.97 H new ATOM 1256 N LYS A 82 -6.284 -10.834 -4.969 1.00 0.36 N ATOM 1257 CA LYS A 82 -6.140 -12.300 -5.207 1.00 0.41 C ATOM 1258 C LYS A 82 -4.678 -12.623 -5.520 1.00 0.43 C ATOM 1259 O LYS A 82 -4.341 -13.734 -5.879 1.00 0.46 O ATOM 1260 CB LYS A 82 -7.021 -12.728 -6.385 1.00 0.42 C ATOM 1261 CG LYS A 82 -8.491 -12.719 -5.960 1.00 1.44 C ATOM 1262 CD LYS A 82 -9.350 -13.315 -7.079 1.00 2.47 C ATOM 1263 CE LYS A 82 -9.321 -12.405 -8.313 1.00 3.27 C ATOM 1264 NZ LYS A 82 -10.504 -12.699 -9.170 1.00 2.87 N ATOM 0 H LYS A 82 -6.727 -10.579 -4.086 1.00 0.36 H new ATOM 0 HA LYS A 82 -6.452 -12.840 -4.313 1.00 0.41 H new ATOM 0 HB2 LYS A 82 -6.872 -12.052 -7.227 1.00 0.42 H new ATOM 0 HB3 LYS A 82 -6.736 -13.725 -6.721 1.00 0.42 H new ATOM 0 HG2 LYS A 82 -8.619 -13.294 -5.043 1.00 1.44 H new ATOM 0 HG3 LYS A 82 -8.812 -11.700 -5.744 1.00 1.44 H new ATOM 0 HD2 LYS A 82 -8.981 -14.307 -7.341 1.00 2.47 H new ATOM 0 HD3 LYS A 82 -10.376 -13.438 -6.733 1.00 2.47 H new ATOM 0 HE2 LYS A 82 -9.330 -11.359 -8.008 1.00 3.27 H new ATOM 0 HE3 LYS A 82 -8.401 -12.565 -8.876 1.00 3.27 H new ATOM 0 HZ1 LYS A 82 -10.487 -12.083 -10.008 1.00 2.87 H new ATOM 0 HZ2 LYS A 82 -10.476 -13.694 -9.471 1.00 2.87 H new ATOM 0 HZ3 LYS A 82 -11.376 -12.525 -8.630 1.00 2.87 H new ATOM 1278 N GLY A 83 -3.803 -11.661 -5.382 1.00 0.50 N ATOM 1279 CA GLY A 83 -2.355 -11.907 -5.667 1.00 0.54 C ATOM 1280 C GLY A 83 -2.028 -11.481 -7.099 1.00 0.54 C ATOM 1281 O GLY A 83 -1.073 -11.948 -7.689 1.00 0.78 O ATOM 0 H GLY A 83 -4.028 -10.712 -5.083 1.00 0.50 H new ATOM 0 HA2 GLY A 83 -1.737 -11.351 -4.962 1.00 0.54 H new ATOM 0 HA3 GLY A 83 -2.123 -12.963 -5.530 1.00 0.54 H new ATOM 1285 N GLN A 84 -2.812 -10.594 -7.664 1.00 0.45 N ATOM 1286 CA GLN A 84 -2.555 -10.125 -9.065 1.00 0.43 C ATOM 1287 C GLN A 84 -2.618 -8.597 -9.112 1.00 0.35 C ATOM 1288 O GLN A 84 -3.560 -7.991 -8.643 1.00 0.25 O ATOM 1289 CB GLN A 84 -3.627 -10.694 -9.999 1.00 0.45 C ATOM 1290 CG GLN A 84 -3.385 -12.190 -10.221 1.00 1.36 C ATOM 1291 CD GLN A 84 -3.720 -12.955 -8.938 1.00 1.23 C ATOM 1292 OE1 GLN A 84 -4.831 -12.690 -8.307 1.00 1.86 O flip ATOM 1293 NE2 GLN A 84 -2.962 -13.801 -8.507 1.00 1.18 N flip ATOM 0 H GLN A 84 -3.624 -10.172 -7.213 1.00 0.45 H new ATOM 0 HA GLN A 84 -1.569 -10.465 -9.382 1.00 0.43 H new ATOM 0 HB2 GLN A 84 -4.616 -10.537 -9.570 1.00 0.45 H new ATOM 0 HB3 GLN A 84 -3.606 -10.168 -10.953 1.00 0.45 H new ATOM 0 HG2 GLN A 84 -4.001 -12.551 -11.044 1.00 1.36 H new ATOM 0 HG3 GLN A 84 -2.346 -12.364 -10.501 1.00 1.36 H new ATOM 0 HE21 GLN A 84 -2.094 -14.007 -9.001 1.00 1.18 H new ATOM 0 HE22 GLN A 84 -3.194 -14.305 -7.651 1.00 1.18 H new ATOM 1302 N LYS A 85 -1.628 -7.970 -9.688 1.00 0.43 N ATOM 1303 CA LYS A 85 -1.644 -6.483 -9.776 1.00 0.38 C ATOM 1304 C LYS A 85 -2.788 -6.061 -10.697 1.00 0.31 C ATOM 1305 O LYS A 85 -2.816 -6.413 -11.860 1.00 0.36 O ATOM 1306 CB LYS A 85 -0.314 -5.987 -10.349 1.00 0.51 C ATOM 1307 CG LYS A 85 -0.255 -4.459 -10.249 1.00 0.46 C ATOM 1308 CD LYS A 85 1.151 -3.955 -10.615 1.00 0.56 C ATOM 1309 CE LYS A 85 1.316 -3.913 -12.139 1.00 1.29 C ATOM 1310 NZ LYS A 85 0.252 -3.056 -12.734 1.00 1.86 N ATOM 0 H LYS A 85 -0.812 -8.422 -10.100 1.00 0.43 H new ATOM 0 HA LYS A 85 -1.785 -6.053 -8.784 1.00 0.38 H new ATOM 0 HB2 LYS A 85 0.518 -6.431 -9.802 1.00 0.51 H new ATOM 0 HB3 LYS A 85 -0.215 -6.299 -11.389 1.00 0.51 H new ATOM 0 HG2 LYS A 85 -0.993 -4.015 -10.917 1.00 0.46 H new ATOM 0 HG3 LYS A 85 -0.510 -4.144 -9.237 1.00 0.46 H new ATOM 0 HD2 LYS A 85 1.310 -2.961 -10.197 1.00 0.56 H new ATOM 0 HD3 LYS A 85 1.905 -4.609 -10.178 1.00 0.56 H new ATOM 0 HE2 LYS A 85 2.300 -3.521 -12.398 1.00 1.29 H new ATOM 0 HE3 LYS A 85 1.257 -4.921 -12.549 1.00 1.29 H new ATOM 0 HZ1 LYS A 85 0.565 -2.709 -13.663 1.00 1.86 H new ATOM 0 HZ2 LYS A 85 -0.619 -3.613 -12.848 1.00 1.86 H new ATOM 0 HZ3 LYS A 85 0.067 -2.247 -12.107 1.00 1.86 H new ATOM 1324 N VAL A 86 -3.740 -5.322 -10.183 1.00 0.25 N ATOM 1325 CA VAL A 86 -4.905 -4.884 -11.018 1.00 0.23 C ATOM 1326 C VAL A 86 -4.833 -3.373 -11.262 1.00 0.23 C ATOM 1327 O VAL A 86 -5.516 -2.843 -12.117 1.00 0.25 O ATOM 1328 CB VAL A 86 -6.199 -5.213 -10.276 1.00 0.20 C ATOM 1329 CG1 VAL A 86 -6.377 -6.730 -10.208 1.00 0.28 C ATOM 1330 CG2 VAL A 86 -6.130 -4.646 -8.856 1.00 0.12 C ATOM 0 H VAL A 86 -3.762 -5.001 -9.215 1.00 0.25 H new ATOM 0 HA VAL A 86 -4.880 -5.403 -11.976 1.00 0.23 H new ATOM 0 HB VAL A 86 -7.043 -4.771 -10.805 1.00 0.20 H new ATOM 0 HG11 VAL A 86 -7.300 -6.965 -9.678 1.00 0.28 H new ATOM 0 HG12 VAL A 86 -6.425 -7.136 -11.218 1.00 0.28 H new ATOM 0 HG13 VAL A 86 -5.533 -7.172 -9.679 1.00 0.28 H new ATOM 0 HG21 VAL A 86 -7.053 -4.880 -8.325 1.00 0.12 H new ATOM 0 HG22 VAL A 86 -5.286 -5.089 -8.328 1.00 0.12 H new ATOM 0 HG23 VAL A 86 -6.002 -3.564 -8.902 1.00 0.12 H new ATOM 1340 N GLY A 87 -4.016 -2.672 -10.523 1.00 0.21 N ATOM 1341 CA GLY A 87 -3.916 -1.196 -10.725 1.00 0.20 C ATOM 1342 C GLY A 87 -2.617 -0.675 -10.106 1.00 0.18 C ATOM 1343 O GLY A 87 -2.016 -1.319 -9.270 1.00 0.18 O ATOM 0 H GLY A 87 -3.416 -3.054 -9.792 1.00 0.21 H new ATOM 0 HA2 GLY A 87 -3.941 -0.963 -11.789 1.00 0.20 H new ATOM 0 HA3 GLY A 87 -4.772 -0.698 -10.269 1.00 0.20 H new ATOM 1347 N GLU A 88 -2.178 0.487 -10.510 1.00 0.18 N ATOM 1348 CA GLU A 88 -0.919 1.043 -9.941 1.00 0.17 C ATOM 1349 C GLU A 88 -0.728 2.488 -10.412 1.00 0.17 C ATOM 1350 O GLU A 88 -1.061 2.839 -11.527 1.00 0.17 O ATOM 1351 CB GLU A 88 0.267 0.189 -10.407 1.00 0.18 C ATOM 1352 CG GLU A 88 1.584 0.871 -10.015 1.00 1.32 C ATOM 1353 CD GLU A 88 2.730 -0.140 -10.092 1.00 1.83 C ATOM 1354 OE1 GLU A 88 2.622 -1.071 -10.874 1.00 2.94 O ATOM 1355 OE2 GLU A 88 3.697 0.034 -9.370 1.00 1.29 O ATOM 0 H GLU A 88 -2.636 1.073 -11.208 1.00 0.18 H new ATOM 0 HA GLU A 88 -0.976 1.028 -8.853 1.00 0.17 H new ATOM 0 HB2 GLU A 88 0.212 -0.802 -9.957 1.00 0.18 H new ATOM 0 HB3 GLU A 88 0.226 0.051 -11.487 1.00 0.18 H new ATOM 0 HG2 GLU A 88 1.782 1.711 -10.680 1.00 1.32 H new ATOM 0 HG3 GLU A 88 1.509 1.275 -9.005 1.00 1.32 H new ATOM 1362 N PHE A 89 -0.178 3.325 -9.573 1.00 0.17 N ATOM 1363 CA PHE A 89 0.056 4.742 -9.970 1.00 0.16 C ATOM 1364 C PHE A 89 0.981 5.402 -8.940 1.00 0.09 C ATOM 1365 O PHE A 89 0.748 5.322 -7.749 1.00 0.09 O ATOM 1366 CB PHE A 89 -1.287 5.492 -10.060 1.00 0.20 C ATOM 1367 CG PHE A 89 -1.766 5.928 -8.689 1.00 0.18 C ATOM 1368 CD1 PHE A 89 -1.197 7.062 -8.078 1.00 0.16 C ATOM 1369 CD2 PHE A 89 -2.785 5.211 -8.032 1.00 0.20 C ATOM 1370 CE1 PHE A 89 -1.646 7.480 -6.812 1.00 0.16 C ATOM 1371 CE2 PHE A 89 -3.233 5.629 -6.762 1.00 0.20 C ATOM 1372 CZ PHE A 89 -2.663 6.764 -6.154 1.00 0.17 C ATOM 0 H PHE A 89 0.120 3.086 -8.627 1.00 0.17 H new ATOM 0 HA PHE A 89 0.530 4.780 -10.951 1.00 0.16 H new ATOM 0 HB2 PHE A 89 -1.176 6.365 -10.704 1.00 0.20 H new ATOM 0 HB3 PHE A 89 -2.036 4.848 -10.522 1.00 0.20 H new ATOM 0 HD1 PHE A 89 -0.415 7.611 -8.582 1.00 0.16 H new ATOM 0 HD2 PHE A 89 -3.223 4.342 -8.501 1.00 0.20 H new ATOM 0 HE1 PHE A 89 -1.210 8.351 -6.345 1.00 0.16 H new ATOM 0 HE2 PHE A 89 -4.013 5.079 -6.256 1.00 0.20 H new ATOM 0 HZ PHE A 89 -3.007 7.085 -5.182 1.00 0.17 H new ATOM 1382 N SER A 90 2.032 6.042 -9.388 1.00 0.09 N ATOM 1383 CA SER A 90 2.987 6.699 -8.439 1.00 0.09 C ATOM 1384 C SER A 90 2.783 8.215 -8.462 1.00 0.07 C ATOM 1385 O SER A 90 2.684 8.824 -9.509 1.00 0.22 O ATOM 1386 CB SER A 90 4.419 6.380 -8.867 1.00 0.18 C ATOM 1387 OG SER A 90 4.684 7.000 -10.119 1.00 0.20 O ATOM 0 H SER A 90 2.272 6.139 -10.375 1.00 0.09 H new ATOM 0 HA SER A 90 2.807 6.326 -7.431 1.00 0.09 H new ATOM 0 HB2 SER A 90 5.123 6.736 -8.115 1.00 0.18 H new ATOM 0 HB3 SER A 90 4.556 5.301 -8.946 1.00 0.18 H new ATOM 0 HG SER A 90 5.602 6.799 -10.396 1.00 0.20 H new ATOM 1393 N GLY A 91 2.724 8.829 -7.309 1.00 0.14 N ATOM 1394 CA GLY A 91 2.533 10.307 -7.253 1.00 0.13 C ATOM 1395 C GLY A 91 1.870 10.689 -5.930 1.00 0.19 C ATOM 1396 O GLY A 91 1.106 9.930 -5.365 1.00 0.35 O ATOM 0 H GLY A 91 2.800 8.368 -6.402 1.00 0.14 H new ATOM 0 HA2 GLY A 91 3.494 10.812 -7.349 1.00 0.13 H new ATOM 0 HA3 GLY A 91 1.916 10.636 -8.089 1.00 0.13 H new ATOM 1400 N ALA A 92 2.156 11.859 -5.429 1.00 0.09 N ATOM 1401 CA ALA A 92 1.544 12.290 -4.141 1.00 0.16 C ATOM 1402 C ALA A 92 0.121 12.792 -4.393 1.00 0.35 C ATOM 1403 O ALA A 92 -0.230 13.895 -4.027 1.00 0.93 O ATOM 1404 CB ALA A 92 2.381 13.417 -3.530 1.00 0.18 C ATOM 0 H ALA A 92 2.788 12.536 -5.857 1.00 0.09 H new ATOM 0 HA ALA A 92 1.514 11.445 -3.454 1.00 0.16 H new ATOM 0 HB1 ALA A 92 1.934 13.733 -2.588 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.395 13.060 -3.349 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.411 14.262 -4.218 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.701 11.983 -5.014 1.00 0.57 N ATOM 1411 CA ASN A 93 -2.112 12.397 -5.296 1.00 0.63 C ATOM 1412 C ASN A 93 -3.047 11.675 -4.323 1.00 0.50 C ATOM 1413 O ASN A 93 -3.647 10.671 -4.651 1.00 0.52 O ATOM 1414 CB ASN A 93 -2.474 12.011 -6.734 1.00 0.76 C ATOM 1415 CG ASN A 93 -3.744 12.751 -7.160 1.00 0.93 C ATOM 1416 OD1 ASN A 93 -4.496 13.308 -6.251 1.00 1.13 O flip ATOM 1417 ND2 ASN A 93 -4.055 12.822 -8.332 1.00 0.96 N flip ATOM 0 H ASN A 93 -0.455 11.048 -5.340 1.00 0.57 H new ATOM 0 HA ASN A 93 -2.215 13.475 -5.173 1.00 0.63 H new ATOM 0 HB2 ASN A 93 -1.653 12.261 -7.406 1.00 0.76 H new ATOM 0 HB3 ASN A 93 -2.627 10.934 -6.805 1.00 0.76 H new ATOM 0 HD21 ASN A 93 -3.467 12.387 -9.043 1.00 0.96 H new ATOM 0 HD22 ASN A 93 -4.904 13.317 -8.605 1.00 0.96 H new ATOM 1424 N LYS A 94 -3.166 12.177 -3.125 1.00 0.48 N ATOM 1425 CA LYS A 94 -4.053 11.520 -2.124 1.00 0.52 C ATOM 1426 C LYS A 94 -5.485 11.462 -2.658 1.00 0.46 C ATOM 1427 O LYS A 94 -6.230 10.550 -2.359 1.00 0.62 O ATOM 1428 CB LYS A 94 -4.024 12.319 -0.817 1.00 0.81 C ATOM 1429 CG LYS A 94 -4.464 13.768 -1.080 1.00 0.73 C ATOM 1430 CD LYS A 94 -4.012 14.678 0.081 1.00 0.89 C ATOM 1431 CE LYS A 94 -2.582 15.180 -0.161 1.00 0.63 C ATOM 1432 NZ LYS A 94 -1.979 15.602 1.136 1.00 1.13 N ATOM 0 H LYS A 94 -2.687 13.015 -2.796 1.00 0.48 H new ATOM 0 HA LYS A 94 -3.700 10.505 -1.940 1.00 0.52 H new ATOM 0 HB2 LYS A 94 -4.684 11.857 -0.083 1.00 0.81 H new ATOM 0 HB3 LYS A 94 -3.019 12.306 -0.395 1.00 0.81 H new ATOM 0 HG2 LYS A 94 -4.036 14.122 -2.018 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -5.548 13.813 -1.187 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -4.691 15.525 0.173 1.00 0.89 H new ATOM 0 HD3 LYS A 94 -4.058 14.129 1.021 1.00 0.89 H new ATOM 0 HE2 LYS A 94 -1.980 14.393 -0.615 1.00 0.63 H new ATOM 0 HE3 LYS A 94 -2.592 16.017 -0.859 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 -1.814 16.629 1.124 1.00 1.13 H new ATOM 0 HZ2 LYS A 94 -2.627 15.364 1.914 1.00 1.13 H new ATOM 0 HZ3 LYS A 94 -1.075 15.108 1.276 1.00 1.13 H new ATOM 1446 N GLU A 95 -5.879 12.423 -3.447 1.00 0.49 N ATOM 1447 CA GLU A 95 -7.264 12.412 -3.995 1.00 0.47 C ATOM 1448 C GLU A 95 -7.411 11.247 -4.976 1.00 0.29 C ATOM 1449 O GLU A 95 -8.492 10.742 -5.199 1.00 0.43 O ATOM 1450 CB GLU A 95 -7.536 13.729 -4.723 1.00 0.51 C ATOM 1451 CG GLU A 95 -7.348 14.899 -3.755 1.00 2.34 C ATOM 1452 CD GLU A 95 -7.669 16.211 -4.471 1.00 3.34 C ATOM 1453 OE1 GLU A 95 -8.754 16.315 -5.019 1.00 4.44 O ATOM 1454 OE2 GLU A 95 -6.824 17.091 -4.460 1.00 3.24 O ATOM 0 H GLU A 95 -5.303 13.214 -3.735 1.00 0.49 H new ATOM 0 HA GLU A 95 -7.978 12.295 -3.180 1.00 0.47 H new ATOM 0 HB2 GLU A 95 -6.860 13.834 -5.571 1.00 0.51 H new ATOM 0 HB3 GLU A 95 -8.550 13.733 -5.122 1.00 0.51 H new ATOM 0 HG2 GLU A 95 -7.999 14.776 -2.889 1.00 2.34 H new ATOM 0 HG3 GLU A 95 -6.323 14.916 -3.384 1.00 2.34 H new ATOM 1461 N LYS A 96 -6.328 10.817 -5.565 1.00 0.07 N ATOM 1462 CA LYS A 96 -6.401 9.686 -6.533 1.00 0.19 C ATOM 1463 C LYS A 96 -6.761 8.395 -5.793 1.00 0.19 C ATOM 1464 O LYS A 96 -7.527 7.587 -6.278 1.00 0.20 O ATOM 1465 CB LYS A 96 -5.045 9.519 -7.223 1.00 0.35 C ATOM 1466 CG LYS A 96 -5.115 8.358 -8.223 1.00 0.63 C ATOM 1467 CD LYS A 96 -3.922 8.421 -9.197 1.00 1.47 C ATOM 1468 CE LYS A 96 -4.252 9.339 -10.382 1.00 0.68 C ATOM 1469 NZ LYS A 96 -3.123 9.313 -11.355 1.00 1.08 N ATOM 0 H LYS A 96 -5.395 11.201 -5.417 1.00 0.07 H new ATOM 0 HA LYS A 96 -7.167 9.898 -7.279 1.00 0.19 H new ATOM 0 HB2 LYS A 96 -4.772 10.440 -7.738 1.00 0.35 H new ATOM 0 HB3 LYS A 96 -4.270 9.327 -6.481 1.00 0.35 H new ATOM 0 HG2 LYS A 96 -5.108 7.408 -7.689 1.00 0.63 H new ATOM 0 HG3 LYS A 96 -6.051 8.404 -8.780 1.00 0.63 H new ATOM 0 HD2 LYS A 96 -3.038 8.790 -8.677 1.00 1.47 H new ATOM 0 HD3 LYS A 96 -3.685 7.420 -9.558 1.00 1.47 H new ATOM 0 HE2 LYS A 96 -5.172 9.011 -10.866 1.00 0.68 H new ATOM 0 HE3 LYS A 96 -4.422 10.357 -10.032 1.00 0.68 H new ATOM 0 HZ1 LYS A 96 -3.344 9.934 -12.159 1.00 1.08 H new ATOM 0 HZ2 LYS A 96 -2.255 9.646 -10.889 1.00 1.08 H new ATOM 0 HZ3 LYS A 96 -2.982 8.341 -11.697 1.00 1.08 H new ATOM 1483 N LEU A 97 -6.213 8.190 -4.626 1.00 0.19 N ATOM 1484 CA LEU A 97 -6.526 6.946 -3.865 1.00 0.19 C ATOM 1485 C LEU A 97 -8.044 6.762 -3.779 1.00 0.17 C ATOM 1486 O LEU A 97 -8.548 5.658 -3.826 1.00 0.13 O ATOM 1487 CB LEU A 97 -5.956 7.046 -2.446 1.00 0.27 C ATOM 1488 CG LEU A 97 -4.422 7.157 -2.489 1.00 0.45 C ATOM 1489 CD1 LEU A 97 -3.908 7.680 -1.143 1.00 0.45 C ATOM 1490 CD2 LEU A 97 -3.795 5.779 -2.751 1.00 0.86 C ATOM 0 H LEU A 97 -5.563 8.829 -4.167 1.00 0.19 H new ATOM 0 HA LEU A 97 -6.079 6.096 -4.380 1.00 0.19 H new ATOM 0 HB2 LEU A 97 -6.375 7.915 -1.940 1.00 0.27 H new ATOM 0 HB3 LEU A 97 -6.247 6.169 -1.868 1.00 0.27 H new ATOM 0 HG LEU A 97 -4.146 7.841 -3.291 1.00 0.45 H new ATOM 0 HD11 LEU A 97 -2.821 7.758 -1.174 1.00 0.45 H new ATOM 0 HD12 LEU A 97 -4.337 8.662 -0.947 1.00 0.45 H new ATOM 0 HD13 LEU A 97 -4.200 6.992 -0.350 1.00 0.45 H new ATOM 0 HD21 LEU A 97 -2.709 5.873 -2.779 1.00 0.86 H new ATOM 0 HD22 LEU A 97 -4.080 5.092 -1.954 1.00 0.86 H new ATOM 0 HD23 LEU A 97 -4.151 5.393 -3.706 1.00 0.86 H new ATOM 1502 N GLU A 98 -8.777 7.832 -3.642 1.00 0.21 N ATOM 1503 CA GLU A 98 -10.260 7.712 -3.539 1.00 0.22 C ATOM 1504 C GLU A 98 -10.839 7.212 -4.865 1.00 0.19 C ATOM 1505 O GLU A 98 -11.390 6.131 -4.944 1.00 0.19 O ATOM 1506 CB GLU A 98 -10.859 9.081 -3.208 1.00 0.25 C ATOM 1507 CG GLU A 98 -12.346 8.921 -2.881 1.00 0.62 C ATOM 1508 CD GLU A 98 -12.894 10.241 -2.335 1.00 1.91 C ATOM 1509 OE1 GLU A 98 -12.334 10.739 -1.372 1.00 2.38 O ATOM 1510 OE2 GLU A 98 -13.863 10.732 -2.890 1.00 3.16 O ATOM 0 H GLU A 98 -8.414 8.784 -3.597 1.00 0.21 H new ATOM 0 HA GLU A 98 -10.507 7.001 -2.750 1.00 0.22 H new ATOM 0 HB2 GLU A 98 -10.335 9.524 -2.361 1.00 0.25 H new ATOM 0 HB3 GLU A 98 -10.732 9.759 -4.052 1.00 0.25 H new ATOM 0 HG2 GLU A 98 -12.896 8.629 -3.775 1.00 0.62 H new ATOM 0 HG3 GLU A 98 -12.484 8.127 -2.148 1.00 0.62 H new ATOM 1517 N ALA A 99 -10.731 7.993 -5.903 1.00 0.19 N ATOM 1518 CA ALA A 99 -11.286 7.569 -7.220 1.00 0.18 C ATOM 1519 C ALA A 99 -10.723 6.200 -7.610 1.00 0.14 C ATOM 1520 O ALA A 99 -11.403 5.387 -8.204 1.00 0.19 O ATOM 1521 CB ALA A 99 -10.903 8.597 -8.286 1.00 0.14 C ATOM 0 H ALA A 99 -10.282 8.909 -5.897 1.00 0.19 H new ATOM 0 HA ALA A 99 -12.371 7.501 -7.145 1.00 0.18 H new ATOM 0 HB1 ALA A 99 -11.308 8.289 -9.250 1.00 0.14 H new ATOM 0 HB2 ALA A 99 -11.311 9.571 -8.015 1.00 0.14 H new ATOM 0 HB3 ALA A 99 -9.817 8.664 -8.353 1.00 0.14 H new ATOM 1527 N THR A 100 -9.486 5.938 -7.289 1.00 0.11 N ATOM 1528 CA THR A 100 -8.886 4.624 -7.653 1.00 0.10 C ATOM 1529 C THR A 100 -9.491 3.514 -6.787 1.00 0.15 C ATOM 1530 O THR A 100 -9.953 2.508 -7.288 1.00 0.11 O ATOM 1531 CB THR A 100 -7.372 4.674 -7.434 1.00 0.18 C ATOM 1532 OG1 THR A 100 -6.861 5.890 -7.961 1.00 0.25 O ATOM 1533 CG2 THR A 100 -6.714 3.490 -8.145 1.00 0.16 C ATOM 0 H THR A 100 -8.866 6.576 -6.791 1.00 0.11 H new ATOM 0 HA THR A 100 -9.097 4.414 -8.702 1.00 0.10 H new ATOM 0 HB THR A 100 -7.155 4.620 -6.367 1.00 0.18 H new ATOM 0 HG1 THR A 100 -7.095 6.630 -7.363 1.00 0.25 H new ATOM 0 HG21 THR A 100 -5.636 3.526 -7.989 1.00 0.16 H new ATOM 0 HG22 THR A 100 -7.109 2.558 -7.741 1.00 0.16 H new ATOM 0 HG23 THR A 100 -6.928 3.542 -9.212 1.00 0.16 H new ATOM 1541 N ILE A 101 -9.489 3.682 -5.491 1.00 0.23 N ATOM 1542 CA ILE A 101 -10.063 2.628 -4.605 1.00 0.29 C ATOM 1543 C ILE A 101 -11.520 2.368 -5.004 1.00 0.28 C ATOM 1544 O ILE A 101 -11.966 1.240 -5.047 1.00 0.28 O ATOM 1545 CB ILE A 101 -9.989 3.091 -3.140 1.00 0.40 C ATOM 1546 CG1 ILE A 101 -8.518 3.072 -2.679 1.00 0.47 C ATOM 1547 CG2 ILE A 101 -10.824 2.146 -2.261 1.00 0.35 C ATOM 1548 CD1 ILE A 101 -8.323 3.971 -1.449 1.00 1.85 C ATOM 0 H ILE A 101 -9.116 4.500 -5.009 1.00 0.23 H new ATOM 0 HA ILE A 101 -9.493 1.705 -4.713 1.00 0.29 H new ATOM 0 HB ILE A 101 -10.385 4.103 -3.051 1.00 0.40 H new ATOM 0 HG12 ILE A 101 -8.220 2.051 -2.440 1.00 0.47 H new ATOM 0 HG13 ILE A 101 -7.873 3.411 -3.490 1.00 0.47 H new ATOM 0 HG21 ILE A 101 -10.772 2.474 -1.223 1.00 0.35 H new ATOM 0 HG22 ILE A 101 -11.862 2.161 -2.594 1.00 0.35 H new ATOM 0 HG23 ILE A 101 -10.431 1.132 -2.342 1.00 0.35 H new ATOM 0 HD11 ILE A 101 -7.278 3.943 -1.140 1.00 1.85 H new ATOM 0 HD12 ILE A 101 -8.600 4.995 -1.699 1.00 1.85 H new ATOM 0 HD13 ILE A 101 -8.952 3.614 -0.634 1.00 1.85 H new ATOM 1560 N ASN A 102 -12.262 3.400 -5.297 1.00 0.28 N ATOM 1561 CA ASN A 102 -13.684 3.199 -5.693 1.00 0.33 C ATOM 1562 C ASN A 102 -13.730 2.615 -7.103 1.00 0.29 C ATOM 1563 O ASN A 102 -14.783 2.322 -7.635 1.00 0.36 O ATOM 1564 CB ASN A 102 -14.417 4.543 -5.671 1.00 0.36 C ATOM 1565 CG ASN A 102 -15.883 4.332 -6.050 1.00 0.36 C ATOM 1566 OD1 ASN A 102 -16.537 3.451 -5.526 1.00 0.27 O ATOM 1567 ND2 ASN A 102 -16.433 5.109 -6.943 1.00 0.90 N ATOM 0 H ASN A 102 -11.947 4.370 -5.280 1.00 0.28 H new ATOM 0 HA ASN A 102 -14.167 2.515 -4.995 1.00 0.33 H new ATOM 0 HB2 ASN A 102 -14.348 4.991 -4.680 1.00 0.36 H new ATOM 0 HB3 ASN A 102 -13.947 5.237 -6.368 1.00 0.36 H new ATOM 0 HD21 ASN A 102 -17.411 4.977 -7.201 1.00 0.90 H new ATOM 0 HD22 ASN A 102 -15.885 5.848 -7.383 1.00 0.90 H new ATOM 1574 N GLU A 103 -12.590 2.443 -7.713 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.549 1.877 -9.089 1.00 0.17 C ATOM 1576 C GLU A 103 -12.671 0.351 -9.018 1.00 0.18 C ATOM 1577 O GLU A 103 -13.542 -0.242 -9.620 1.00 0.30 O ATOM 1578 CB GLU A 103 -11.217 2.256 -9.751 1.00 0.11 C ATOM 1579 CG GLU A 103 -11.342 2.135 -11.272 1.00 0.23 C ATOM 1580 CD GLU A 103 -9.976 2.378 -11.916 1.00 1.38 C ATOM 1581 OE1 GLU A 103 -9.065 1.615 -11.635 1.00 1.42 O ATOM 1582 OE2 GLU A 103 -9.863 3.321 -12.681 1.00 2.55 O ATOM 0 H GLU A 103 -11.680 2.672 -7.314 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.376 2.278 -9.675 1.00 0.17 H new ATOM 0 HB2 GLU A 103 -10.942 3.275 -9.479 1.00 0.11 H new ATOM 0 HB3 GLU A 103 -10.422 1.604 -9.389 1.00 0.11 H new ATOM 0 HG2 GLU A 103 -11.711 1.145 -11.540 1.00 0.23 H new ATOM 0 HG3 GLU A 103 -12.067 2.858 -11.647 1.00 0.23 H new ATOM 1589 N LEU A 104 -11.788 -0.286 -8.291 1.00 0.18 N ATOM 1590 CA LEU A 104 -11.826 -1.775 -8.178 1.00 0.24 C ATOM 1591 C LEU A 104 -12.515 -2.183 -6.871 1.00 0.44 C ATOM 1592 O LEU A 104 -12.343 -3.284 -6.387 1.00 0.61 O ATOM 1593 CB LEU A 104 -10.390 -2.315 -8.188 1.00 0.29 C ATOM 1594 CG LEU A 104 -9.565 -1.560 -9.235 1.00 0.25 C ATOM 1595 CD1 LEU A 104 -8.155 -2.150 -9.295 1.00 0.42 C ATOM 1596 CD2 LEU A 104 -10.232 -1.695 -10.605 1.00 0.17 C ATOM 0 H LEU A 104 -11.038 0.165 -7.768 1.00 0.18 H new ATOM 0 HA LEU A 104 -12.384 -2.188 -9.018 1.00 0.24 H new ATOM 0 HB2 LEU A 104 -9.940 -2.198 -7.202 1.00 0.29 H new ATOM 0 HB3 LEU A 104 -10.393 -3.382 -8.413 1.00 0.29 H new ATOM 0 HG LEU A 104 -9.507 -0.507 -8.961 1.00 0.25 H new ATOM 0 HD11 LEU A 104 -7.567 -1.613 -10.040 1.00 0.42 H new ATOM 0 HD12 LEU A 104 -7.679 -2.054 -8.319 1.00 0.42 H new ATOM 0 HD13 LEU A 104 -8.213 -3.203 -9.569 1.00 0.42 H new ATOM 0 HD21 LEU A 104 -9.645 -1.158 -11.350 1.00 0.17 H new ATOM 0 HD22 LEU A 104 -10.290 -2.748 -10.879 1.00 0.17 H new ATOM 0 HD23 LEU A 104 -11.237 -1.275 -10.563 1.00 0.17 H new ATOM 1608 N VAL A 105 -13.296 -1.308 -6.296 1.00 0.43 N ATOM 1609 CA VAL A 105 -13.991 -1.658 -5.023 1.00 0.63 C ATOM 1610 C VAL A 105 -15.024 -2.753 -5.293 1.00 0.85 C ATOM 1611 O VAL A 105 -15.553 -2.784 -6.391 1.00 0.97 O ATOM 1612 CB VAL A 105 -14.695 -0.419 -4.466 1.00 0.52 C ATOM 1613 CG1 VAL A 105 -15.631 0.160 -5.528 1.00 0.55 C ATOM 1614 CG2 VAL A 105 -15.507 -0.807 -3.227 1.00 0.52 C ATOM 1615 OXT VAL A 105 -15.268 -3.544 -4.395 1.00 1.90 O ATOM 0 H VAL A 105 -13.482 -0.370 -6.651 1.00 0.43 H new ATOM 0 HA VAL A 105 -13.261 -2.016 -4.297 1.00 0.63 H new ATOM 0 HB VAL A 105 -13.950 0.329 -4.194 1.00 0.52 H new ATOM 0 HG11 VAL A 105 -16.132 1.042 -5.130 1.00 0.55 H new ATOM 0 HG12 VAL A 105 -15.053 0.438 -6.410 1.00 0.55 H new ATOM 0 HG13 VAL A 105 -16.376 -0.587 -5.803 1.00 0.55 H new ATOM 0 HG21 VAL A 105 -16.009 0.075 -2.830 1.00 0.52 H new ATOM 0 HG22 VAL A 105 -16.251 -1.556 -3.499 1.00 0.52 H new ATOM 0 HG23 VAL A 105 -14.840 -1.217 -2.469 1.00 0.52 H new TER 1625 VAL A 105 HETATM 1626 O HOH A 201 -5.411 -10.791 -2.319 1.00 0.00 O HETATM 1629 O HOH A 202 7.826 -2.209 6.683 1.00 0.00 O HETATM 1632 O HOH A 203 11.813 3.347 4.357 1.00 0.00 O HETATM 1635 O HOH A 204 -7.852 -9.957 -0.736 1.00 0.00 O HETATM 1638 O HOH A 205 -6.206 -14.073 -0.828 1.00 0.00 O HETATM 1641 O HOH A 206 -11.512 -4.717 0.459 1.00 0.00 O HETATM 1644 O HOH A 207 -9.929 -0.983 6.079 1.00 0.00 O