USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 903 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= -0.417 (180deg=-1.18) USER MOD Single : A 3 LYS NZ :NH3+ 164:sc= -0.028 (180deg=-0.328) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0615 USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 0.892 (180deg=0.663) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -0.0298 (180deg=-0.485) USER MOD Single : A 28 SER OG : rot 141:sc= -0.447 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 154:sc= 0 (180deg=-0.00143) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -1.16 (180deg=-2.64!) USER MOD Single : A 43 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-2.4!) USER MOD Single : A 44 SER OG : rot 97:sc= 0.745 USER MOD Single : A 46 SER OG : rot -33:sc= -0.505 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= -0.192 X(o=-0.19,f=-0.16) USER MOD Single : A 63 GLN : amide:sc= -0.0123 K(o=-0.012,f=-0.57) USER MOD Single : A 67 SER OG : rot -78:sc= 0.229 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 76 THR OG1 : rot 119:sc= 0.673 USER MOD Single : A 78 GLN : amide:sc= -1.94 X(o=-1.9,f=-1.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 164:sc= -0.0117 (180deg=-0.223) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.839 F(o=-2.4!,f=-0.84) 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= -1.16! C(o=-1.2!,f=-10!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 165:sc= -0.016 (180deg=-0.261) USER MOD Single : A 100 THR OG1 : rot 79:sc= 0.0318 USER MOD Single : A 102 ASN : amide:sc= -0.925 K(o=-0.93,f=-3.2!) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 LYS NZ :NH3+ 151:sc= -0.106 (180deg=-0.695) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN :FLIP amide:sc= -0.101 F(o=-2.2!,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.802 -0.113 9.896 1.00 1.04 N ATOM 2 CA MET A 1 -7.542 -0.353 10.646 1.00 0.78 C ATOM 3 C MET A 1 -6.418 -0.609 9.646 1.00 0.57 C ATOM 4 O MET A 1 -6.613 -1.264 8.643 1.00 0.63 O ATOM 5 CB MET A 1 -7.709 -1.580 11.543 1.00 0.79 C ATOM 6 CG MET A 1 -8.771 -1.308 12.607 1.00 1.45 C ATOM 7 SD MET A 1 -8.217 0.016 13.707 1.00 2.32 S ATOM 8 CE MET A 1 -9.633 -0.041 14.828 1.00 2.88 C ATOM 0 H1 MET A 1 -9.157 0.841 10.110 1.00 1.04 H new ATOM 0 H2 MET A 1 -8.619 -0.194 8.875 1.00 1.04 H new ATOM 0 H3 MET A 1 -9.513 -0.818 10.177 1.00 1.04 H new ATOM 0 HA MET A 1 -7.305 0.515 11.261 1.00 0.78 H new ATOM 0 HB2 MET A 1 -7.996 -2.443 10.943 1.00 0.79 H new ATOM 0 HB3 MET A 1 -6.760 -1.825 12.019 1.00 0.79 H new ATOM 0 HG2 MET A 1 -9.711 -1.028 12.131 1.00 1.45 H new ATOM 0 HG3 MET A 1 -8.962 -2.214 13.182 1.00 1.45 H new ATOM 0 HE1 MET A 1 -9.509 0.709 15.610 1.00 2.88 H new ATOM 0 HE2 MET A 1 -10.547 0.164 14.271 1.00 2.88 H new ATOM 0 HE3 MET A 1 -9.699 -1.030 15.281 1.00 2.88 H new ATOM 20 N VAL A 2 -5.244 -0.101 9.911 1.00 0.41 N ATOM 21 CA VAL A 2 -4.090 -0.310 8.976 1.00 0.28 C ATOM 22 C VAL A 2 -3.188 -1.415 9.525 1.00 0.23 C ATOM 23 O VAL A 2 -3.213 -1.714 10.701 1.00 0.24 O ATOM 24 CB VAL A 2 -3.283 0.984 8.862 1.00 0.33 C ATOM 25 CG1 VAL A 2 -1.993 0.718 8.077 1.00 0.45 C ATOM 26 CG2 VAL A 2 -4.116 2.026 8.121 1.00 0.40 C ATOM 0 H VAL A 2 -5.029 0.454 10.739 1.00 0.41 H new ATOM 0 HA VAL A 2 -4.467 -0.594 7.994 1.00 0.28 H new ATOM 0 HB VAL A 2 -3.032 1.348 9.858 1.00 0.33 H new ATOM 0 HG11 VAL A 2 -1.419 1.641 7.997 1.00 0.45 H new ATOM 0 HG12 VAL A 2 -1.399 -0.034 8.597 1.00 0.45 H new ATOM 0 HG13 VAL A 2 -2.242 0.358 7.079 1.00 0.45 H new ATOM 0 HG21 VAL A 2 -3.548 2.952 8.035 1.00 0.40 H new ATOM 0 HG22 VAL A 2 -4.359 1.656 7.125 1.00 0.40 H new ATOM 0 HG23 VAL A 2 -5.037 2.215 8.673 1.00 0.40 H new ATOM 36 N LYS A 3 -2.393 -2.027 8.683 1.00 0.20 N ATOM 37 CA LYS A 3 -1.485 -3.116 9.152 1.00 0.18 C ATOM 38 C LYS A 3 -0.068 -2.830 8.643 1.00 0.15 C ATOM 39 O LYS A 3 0.146 -2.647 7.459 1.00 0.16 O ATOM 40 CB LYS A 3 -1.986 -4.437 8.565 1.00 0.19 C ATOM 41 CG LYS A 3 -1.164 -5.625 9.105 1.00 0.20 C ATOM 42 CD LYS A 3 -1.754 -6.115 10.432 1.00 0.81 C ATOM 43 CE LYS A 3 -0.945 -7.311 10.951 1.00 1.03 C ATOM 44 NZ LYS A 3 0.441 -6.878 11.291 1.00 1.67 N ATOM 0 H LYS A 3 -2.334 -1.817 7.687 1.00 0.20 H new ATOM 0 HA LYS A 3 -1.474 -3.171 10.241 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.038 -4.574 8.814 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.917 -4.406 7.478 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.162 -6.437 8.377 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.126 -5.324 9.249 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.741 -5.309 11.166 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.796 -6.402 10.293 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -1.429 -7.734 11.831 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -0.915 -8.096 10.195 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 0.895 -7.602 11.884 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 0.990 -6.752 10.417 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 0.406 -5.978 11.810 1.00 1.67 H new ATOM 58 N GLN A 4 0.909 -2.802 9.523 1.00 0.15 N ATOM 59 CA GLN A 4 2.313 -2.534 9.077 1.00 0.14 C ATOM 60 C GLN A 4 3.027 -3.862 8.830 1.00 0.12 C ATOM 61 O GLN A 4 3.157 -4.683 9.717 1.00 0.13 O ATOM 62 CB GLN A 4 3.071 -1.753 10.163 1.00 0.16 C ATOM 63 CG GLN A 4 4.501 -1.455 9.691 1.00 0.17 C ATOM 64 CD GLN A 4 5.250 -0.695 10.787 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.945 -0.836 11.953 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.228 0.105 10.460 1.00 0.31 N ATOM 0 H GLN A 4 0.794 -2.953 10.525 1.00 0.15 H new ATOM 0 HA GLN A 4 2.288 -1.946 8.160 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.550 -0.821 10.384 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.097 -2.330 11.087 1.00 0.16 H new ATOM 0 HG2 GLN A 4 5.020 -2.385 9.458 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.478 -0.865 8.775 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.484 0.223 9.480 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.736 0.612 11.185 1.00 0.31 H new ATOM 75 N ILE A 5 3.515 -4.064 7.635 1.00 0.10 N ATOM 76 CA ILE A 5 4.249 -5.320 7.318 1.00 0.10 C ATOM 77 C ILE A 5 5.746 -5.024 7.338 1.00 0.10 C ATOM 78 O ILE A 5 6.234 -4.221 6.567 1.00 0.11 O ATOM 79 CB ILE A 5 3.864 -5.793 5.922 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.337 -5.853 5.785 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.458 -7.174 5.678 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.731 -6.695 6.914 1.00 0.19 C ATOM 0 H ILE A 5 3.435 -3.406 6.860 1.00 0.10 H new ATOM 0 HA ILE A 5 4.000 -6.090 8.049 1.00 0.10 H new ATOM 0 HB ILE A 5 4.254 -5.091 5.185 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.923 -4.845 5.812 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.069 -6.281 4.819 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.185 -7.516 4.680 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.544 -7.123 5.760 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.071 -7.873 6.420 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.647 -6.727 6.802 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.131 -7.708 6.868 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.983 -6.249 7.876 1.00 0.19 H new ATOM 94 N GLU A 6 6.478 -5.650 8.223 1.00 0.11 N ATOM 95 CA GLU A 6 7.943 -5.392 8.300 1.00 0.13 C ATOM 96 C GLU A 6 8.698 -6.503 7.562 1.00 0.12 C ATOM 97 O GLU A 6 9.911 -6.478 7.472 1.00 0.13 O ATOM 98 CB GLU A 6 8.367 -5.389 9.772 1.00 0.15 C ATOM 99 CG GLU A 6 7.609 -4.290 10.524 1.00 0.17 C ATOM 100 CD GLU A 6 6.191 -4.768 10.858 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.889 -5.917 10.579 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.434 -3.975 11.393 1.00 2.25 O ATOM 0 H GLU A 6 6.122 -6.329 8.896 1.00 0.11 H new ATOM 0 HA GLU A 6 8.173 -4.430 7.841 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.161 -6.360 10.222 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.441 -5.223 9.851 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.140 -4.032 11.440 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.564 -3.386 9.916 1.00 0.17 H new ATOM 109 N SER A 7 8.004 -7.483 7.031 1.00 0.12 N ATOM 110 CA SER A 7 8.719 -8.588 6.314 1.00 0.13 C ATOM 111 C SER A 7 7.831 -9.234 5.251 1.00 0.12 C ATOM 112 O SER A 7 6.618 -9.232 5.348 1.00 0.12 O ATOM 113 CB SER A 7 9.127 -9.659 7.329 1.00 0.15 C ATOM 114 OG SER A 7 7.962 -10.168 7.968 1.00 0.15 O ATOM 0 H SER A 7 6.988 -7.566 7.062 1.00 0.12 H new ATOM 0 HA SER A 7 9.593 -8.163 5.821 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.663 -10.465 6.829 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.806 -9.236 8.069 1.00 0.15 H new ATOM 0 HG SER A 7 8.219 -10.855 8.618 1.00 0.15 H new ATOM 120 N LYS A 8 8.442 -9.828 4.256 1.00 0.14 N ATOM 121 CA LYS A 8 7.658 -10.523 3.198 1.00 0.15 C ATOM 122 C LYS A 8 6.914 -11.678 3.849 1.00 0.15 C ATOM 123 O LYS A 8 5.819 -12.026 3.455 1.00 0.16 O ATOM 124 CB LYS A 8 8.590 -11.074 2.111 1.00 0.18 C ATOM 125 CG LYS A 8 7.752 -11.556 0.919 1.00 0.21 C ATOM 126 CD LYS A 8 8.606 -12.418 -0.018 1.00 0.43 C ATOM 127 CE LYS A 8 9.706 -11.564 -0.653 1.00 0.80 C ATOM 128 NZ LYS A 8 10.257 -12.280 -1.839 1.00 1.65 N ATOM 0 H LYS A 8 9.454 -9.860 4.134 1.00 0.14 H new ATOM 0 HA LYS A 8 6.964 -9.821 2.735 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.289 -10.302 1.790 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.184 -11.897 2.509 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.897 -12.131 1.275 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.355 -10.699 0.375 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.050 -13.244 0.537 1.00 0.43 H new ATOM 0 HD3 LYS A 8 7.980 -12.856 -0.795 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.305 -10.596 -0.952 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.498 -11.372 0.071 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.945 -11.669 -2.324 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 10.728 -13.154 -1.529 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.483 -12.517 -2.492 1.00 1.65 H new ATOM 142 N THR A 9 7.497 -12.273 4.855 1.00 0.15 N ATOM 143 CA THR A 9 6.807 -13.410 5.524 1.00 0.17 C ATOM 144 C THR A 9 5.465 -12.915 6.046 1.00 0.16 C ATOM 145 O THR A 9 4.445 -13.545 5.858 1.00 0.17 O ATOM 146 CB THR A 9 7.649 -13.935 6.694 1.00 0.19 C ATOM 147 OG1 THR A 9 8.930 -14.315 6.213 1.00 0.22 O ATOM 148 CG2 THR A 9 6.954 -15.150 7.327 1.00 0.23 C ATOM 0 H THR A 9 8.409 -12.024 5.238 1.00 0.15 H new ATOM 0 HA THR A 9 6.665 -14.222 4.811 1.00 0.17 H new ATOM 0 HB THR A 9 7.757 -13.153 7.446 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.473 -14.650 6.957 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.554 -15.521 8.158 1.00 0.23 H new ATOM 0 HG22 THR A 9 5.970 -14.857 7.693 1.00 0.23 H new ATOM 0 HG23 THR A 9 6.844 -15.936 6.580 1.00 0.23 H new ATOM 156 N ALA A 10 5.451 -11.781 6.681 1.00 0.15 N ATOM 157 CA ALA A 10 4.162 -11.239 7.185 1.00 0.15 C ATOM 158 C ALA A 10 3.310 -10.799 5.992 1.00 0.14 C ATOM 159 O ALA A 10 2.098 -10.868 6.024 1.00 0.15 O ATOM 160 CB ALA A 10 4.419 -10.055 8.123 1.00 0.17 C ATOM 0 H ALA A 10 6.272 -11.207 6.873 1.00 0.15 H new ATOM 0 HA ALA A 10 3.632 -12.009 7.746 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.468 -9.666 8.486 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.023 -10.385 8.968 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.949 -9.271 7.582 1.00 0.17 H new ATOM 166 N PHE A 11 3.933 -10.349 4.934 1.00 0.14 N ATOM 167 CA PHE A 11 3.150 -9.908 3.745 1.00 0.13 C ATOM 168 C PHE A 11 2.316 -11.079 3.249 1.00 0.14 C ATOM 169 O PHE A 11 1.152 -10.941 2.929 1.00 0.14 O ATOM 170 CB PHE A 11 4.129 -9.495 2.637 1.00 0.14 C ATOM 171 CG PHE A 11 3.380 -8.837 1.498 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.737 -7.612 1.701 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.341 -9.444 0.232 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.050 -6.998 0.647 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.656 -8.827 -0.820 1.00 0.14 C ATOM 176 CZ PHE A 11 2.009 -7.606 -0.612 1.00 0.14 C ATOM 0 H PHE A 11 4.946 -10.269 4.843 1.00 0.14 H new ATOM 0 HA PHE A 11 2.504 -9.070 4.008 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.874 -8.808 3.037 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.666 -10.370 2.271 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.770 -7.139 2.671 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.840 -10.388 0.071 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.551 -6.054 0.806 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.627 -9.294 -1.793 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.477 -7.132 -1.424 1.00 0.14 H new ATOM 186 N GLN A 12 2.912 -12.231 3.190 1.00 0.14 N ATOM 187 CA GLN A 12 2.177 -13.434 2.716 1.00 0.16 C ATOM 188 C GLN A 12 1.051 -13.741 3.707 1.00 0.15 C ATOM 189 O GLN A 12 -0.065 -14.038 3.330 1.00 0.16 O ATOM 190 CB GLN A 12 3.158 -14.612 2.675 1.00 0.18 C ATOM 191 CG GLN A 12 4.257 -14.331 1.643 1.00 0.17 C ATOM 192 CD GLN A 12 3.643 -14.260 0.245 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.940 -13.362 -0.518 1.00 1.12 O ATOM 194 NE2 GLN A 12 2.794 -15.179 -0.123 1.00 1.31 N ATOM 0 H GLN A 12 3.884 -12.394 3.451 1.00 0.14 H new ATOM 0 HA GLN A 12 1.756 -13.265 1.725 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.600 -14.764 3.660 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.629 -15.530 2.417 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.759 -13.393 1.878 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.013 -15.115 1.680 1.00 0.17 H new ATOM 0 HE21 GLN A 12 2.547 -15.932 0.520 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.377 -15.145 -1.053 1.00 1.31 H new ATOM 203 N GLU A 13 1.344 -13.647 4.978 1.00 0.16 N ATOM 204 CA GLU A 13 0.310 -13.905 6.020 1.00 0.17 C ATOM 205 C GLU A 13 -0.806 -12.861 5.919 1.00 0.15 C ATOM 206 O GLU A 13 -1.964 -13.158 6.126 1.00 0.16 O ATOM 207 CB GLU A 13 0.970 -13.826 7.404 1.00 0.19 C ATOM 208 CG GLU A 13 1.981 -14.967 7.565 1.00 0.28 C ATOM 209 CD GLU A 13 1.253 -16.314 7.572 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.137 -16.362 8.064 1.00 1.77 O ATOM 211 OE2 GLU A 13 1.826 -17.276 7.087 1.00 1.67 O ATOM 0 H GLU A 13 2.265 -13.400 5.340 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.121 -14.895 5.871 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.471 -12.865 7.524 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.210 -13.889 8.183 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.705 -14.940 6.751 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.539 -14.841 8.493 1.00 0.28 H new ATOM 218 N ALA A 14 -0.468 -11.635 5.610 1.00 0.15 N ATOM 219 CA ALA A 14 -1.522 -10.586 5.506 1.00 0.14 C ATOM 220 C ALA A 14 -2.408 -10.878 4.299 1.00 0.13 C ATOM 221 O ALA A 14 -3.616 -10.775 4.363 1.00 0.13 O ATOM 222 CB ALA A 14 -0.877 -9.205 5.357 1.00 0.15 C ATOM 0 H ALA A 14 0.484 -11.319 5.427 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.128 -10.593 6.412 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.656 -8.446 5.282 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.253 -8.999 6.226 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.263 -9.185 4.457 1.00 0.15 H new ATOM 228 N LEU A 15 -1.822 -11.250 3.199 1.00 0.12 N ATOM 229 CA LEU A 15 -2.637 -11.557 2.000 1.00 0.12 C ATOM 230 C LEU A 15 -3.575 -12.712 2.346 1.00 0.13 C ATOM 231 O LEU A 15 -4.722 -12.741 1.951 1.00 0.13 O ATOM 232 CB LEU A 15 -1.704 -11.959 0.859 1.00 0.13 C ATOM 233 CG LEU A 15 -0.878 -10.740 0.418 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.251 -11.197 -0.516 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.768 -9.708 -0.304 1.00 0.17 C ATOM 0 H LEU A 15 -0.814 -11.354 3.080 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.221 -10.690 1.692 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.042 -12.762 1.182 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.284 -12.342 0.019 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.453 -10.267 1.304 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.837 -10.333 -0.829 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.896 -11.901 0.010 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.177 -11.682 -1.393 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.162 -8.854 -0.607 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.215 -10.167 -1.186 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.556 -9.373 0.370 1.00 0.17 H new ATOM 247 N ASP A 16 -3.086 -13.667 3.088 1.00 0.13 N ATOM 248 CA ASP A 16 -3.936 -14.824 3.471 1.00 0.15 C ATOM 249 C ASP A 16 -5.013 -14.374 4.458 1.00 0.15 C ATOM 250 O ASP A 16 -6.112 -14.891 4.471 1.00 0.16 O ATOM 251 CB ASP A 16 -3.074 -15.910 4.116 1.00 0.17 C ATOM 252 CG ASP A 16 -3.865 -17.220 4.176 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.699 -17.346 5.055 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.626 -18.071 3.336 1.00 1.07 O ATOM 0 H ASP A 16 -2.131 -13.694 3.446 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.412 -15.225 2.576 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.158 -16.051 3.542 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.777 -15.606 5.120 1.00 0.17 H new ATOM 259 N ALA A 17 -4.698 -13.435 5.306 1.00 0.15 N ATOM 260 CA ALA A 17 -5.701 -12.970 6.304 1.00 0.16 C ATOM 261 C ALA A 17 -6.797 -12.156 5.615 1.00 0.15 C ATOM 262 O ALA A 17 -7.957 -12.237 5.968 1.00 0.17 O ATOM 263 CB ALA A 17 -5.008 -12.110 7.357 1.00 0.18 C ATOM 0 H ALA A 17 -3.791 -12.970 5.351 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.156 -13.838 6.781 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.741 -11.769 8.088 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.241 -12.698 7.860 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.547 -11.247 6.876 1.00 0.18 H new ATOM 269 N ALA A 18 -6.440 -11.367 4.640 1.00 0.14 N ATOM 270 CA ALA A 18 -7.466 -10.543 3.935 1.00 0.15 C ATOM 271 C ALA A 18 -8.452 -11.465 3.224 1.00 0.14 C ATOM 272 O ALA A 18 -9.618 -11.160 3.091 1.00 0.17 O ATOM 273 CB ALA A 18 -6.789 -9.649 2.899 1.00 0.15 C ATOM 0 H ALA A 18 -5.485 -11.256 4.300 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.991 -9.925 4.663 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.542 -9.050 2.388 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.078 -8.990 3.397 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.263 -10.268 2.172 1.00 0.15 H new ATOM 279 N GLY A 19 -7.991 -12.594 2.767 1.00 0.16 N ATOM 280 CA GLY A 19 -8.901 -13.539 2.065 1.00 0.20 C ATOM 281 C GLY A 19 -9.351 -12.939 0.734 1.00 0.16 C ATOM 282 O GLY A 19 -8.548 -12.577 -0.104 1.00 0.17 O ATOM 0 H GLY A 19 -7.023 -12.904 2.849 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.391 -14.487 1.892 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.769 -13.753 2.689 1.00 0.20 H new ATOM 286 N ASP A 20 -10.636 -12.848 0.528 1.00 0.15 N ATOM 287 CA ASP A 20 -11.163 -12.294 -0.753 1.00 0.14 C ATOM 288 C ASP A 20 -11.381 -10.786 -0.628 1.00 0.12 C ATOM 289 O ASP A 20 -11.880 -10.147 -1.533 1.00 0.13 O ATOM 290 CB ASP A 20 -12.486 -12.981 -1.080 1.00 0.15 C ATOM 291 CG ASP A 20 -12.247 -14.482 -1.242 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.155 -14.846 -1.647 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.156 -15.243 -0.954 1.00 1.07 O ATOM 0 H ASP A 20 -11.350 -13.136 1.197 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.442 -12.475 -1.550 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.210 -12.800 -0.285 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.908 -12.567 -1.996 1.00 0.15 H new ATOM 298 N LYS A 21 -11.006 -10.208 0.479 1.00 0.12 N ATOM 299 CA LYS A 21 -11.190 -8.738 0.646 1.00 0.12 C ATOM 300 C LYS A 21 -10.112 -8.005 -0.153 1.00 0.10 C ATOM 301 O LYS A 21 -9.011 -8.492 -0.317 1.00 0.11 O ATOM 302 CB LYS A 21 -11.054 -8.355 2.126 1.00 0.15 C ATOM 303 CG LYS A 21 -12.251 -8.878 2.920 1.00 0.21 C ATOM 304 CD LYS A 21 -12.290 -8.181 4.283 1.00 0.31 C ATOM 305 CE LYS A 21 -13.492 -8.679 5.074 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.290 -10.118 5.397 1.00 1.50 N ATOM 0 H LYS A 21 -10.582 -10.687 1.273 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.182 -8.460 0.289 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.131 -8.768 2.532 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -10.989 -7.271 2.224 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.176 -8.690 2.374 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.173 -9.957 3.051 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.371 -8.383 4.833 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.351 -7.101 4.149 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.608 -8.099 5.990 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -14.406 -8.547 4.495 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.901 -10.384 6.196 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -13.533 -10.697 4.568 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.295 -10.280 5.653 1.00 1.50 H new ATOM 320 N LEU A 22 -10.412 -6.834 -0.643 1.00 0.11 N ATOM 321 CA LEU A 22 -9.397 -6.079 -1.419 1.00 0.12 C ATOM 322 C LEU A 22 -8.201 -5.818 -0.486 1.00 0.12 C ATOM 323 O LEU A 22 -8.343 -5.814 0.720 1.00 0.14 O ATOM 324 CB LEU A 22 -10.032 -4.746 -1.873 1.00 0.15 C ATOM 325 CG LEU A 22 -9.627 -4.362 -3.308 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.182 -2.951 -3.637 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.096 -4.357 -3.461 1.00 0.47 C ATOM 0 H LEU A 22 -11.315 -6.371 -0.538 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.062 -6.630 -2.298 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.118 -4.825 -1.813 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.732 -3.952 -1.189 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.042 -5.098 -3.996 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -9.897 -2.676 -4.652 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.269 -2.959 -3.555 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.770 -2.225 -2.935 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.833 -4.083 -4.483 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.664 -3.634 -2.769 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.705 -5.350 -3.240 1.00 0.47 H new ATOM 339 N VAL A 23 -7.032 -5.598 -1.025 1.00 0.11 N ATOM 340 CA VAL A 23 -5.842 -5.335 -0.165 1.00 0.11 C ATOM 341 C VAL A 23 -4.968 -4.296 -0.848 1.00 0.11 C ATOM 342 O VAL A 23 -4.394 -4.549 -1.888 1.00 0.17 O ATOM 343 CB VAL A 23 -5.030 -6.623 0.017 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.754 -6.325 0.827 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.877 -7.663 0.750 1.00 0.12 C ATOM 0 H VAL A 23 -6.849 -5.589 -2.028 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.172 -4.977 0.810 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.748 -7.012 -0.961 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.181 -7.243 0.954 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.149 -5.590 0.296 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.028 -5.931 1.806 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.299 -8.578 0.879 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.164 -7.275 1.727 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.773 -7.879 0.168 1.00 0.12 H new ATOM 355 N VAL A 24 -4.856 -3.128 -0.277 1.00 0.09 N ATOM 356 CA VAL A 24 -4.009 -2.071 -0.899 1.00 0.09 C ATOM 357 C VAL A 24 -2.663 -2.040 -0.173 1.00 0.09 C ATOM 358 O VAL A 24 -2.606 -2.191 1.030 1.00 0.10 O ATOM 359 CB VAL A 24 -4.698 -0.712 -0.770 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.893 0.337 -1.539 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.106 -0.797 -1.361 1.00 0.14 C ATOM 0 H VAL A 24 -5.315 -2.860 0.594 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.859 -2.287 -1.957 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.759 -0.433 0.282 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.381 1.308 -1.450 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.886 0.398 -1.126 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.838 0.054 -2.590 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.598 0.171 -1.270 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.043 -1.074 -2.413 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.682 -1.549 -0.822 1.00 0.14 H new ATOM 371 N VAL A 25 -1.577 -1.874 -0.895 1.00 0.09 N ATOM 372 CA VAL A 25 -0.223 -1.861 -0.244 1.00 0.09 C ATOM 373 C VAL A 25 0.528 -0.570 -0.576 1.00 0.10 C ATOM 374 O VAL A 25 0.769 -0.257 -1.723 1.00 0.11 O ATOM 375 CB VAL A 25 0.586 -3.046 -0.761 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.926 -3.108 -0.027 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.200 -4.333 -0.521 1.00 0.10 C ATOM 0 H VAL A 25 -1.569 -1.747 -1.907 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.354 -1.924 0.836 1.00 0.09 H new ATOM 0 HB VAL A 25 0.771 -2.930 -1.829 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.504 -3.955 -0.396 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.480 -2.186 -0.203 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.750 -3.227 1.042 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.374 -5.184 -0.889 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.384 -4.453 0.547 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.152 -4.282 -1.049 1.00 0.10 H new ATOM 387 N ASP A 26 0.913 0.170 0.433 1.00 0.11 N ATOM 388 CA ASP A 26 1.667 1.449 0.215 1.00 0.12 C ATOM 389 C ASP A 26 3.180 1.217 0.403 1.00 0.14 C ATOM 390 O ASP A 26 3.625 0.829 1.462 1.00 0.20 O ATOM 391 CB ASP A 26 1.183 2.489 1.240 1.00 0.14 C ATOM 392 CG ASP A 26 1.832 3.845 0.958 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.658 4.350 -0.138 1.00 1.04 O ATOM 394 OD2 ASP A 26 2.494 4.357 1.847 1.00 1.05 O ATOM 0 H ASP A 26 0.736 -0.058 1.411 1.00 0.11 H new ATOM 0 HA ASP A 26 1.489 1.804 -0.800 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.098 2.580 1.193 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.432 2.160 2.249 1.00 0.14 H new ATOM 399 N PHE A 27 3.973 1.469 -0.610 1.00 0.13 N ATOM 400 CA PHE A 27 5.463 1.287 -0.487 1.00 0.13 C ATOM 401 C PHE A 27 6.122 2.627 -0.162 1.00 0.22 C ATOM 402 O PHE A 27 7.271 2.852 -0.484 1.00 0.73 O ATOM 403 CB PHE A 27 6.052 0.751 -1.799 1.00 0.11 C ATOM 404 CG PHE A 27 5.749 -0.716 -1.943 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.583 -1.656 -1.326 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.655 -1.140 -2.699 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.323 -3.021 -1.466 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.393 -2.507 -2.836 1.00 0.14 C ATOM 409 CZ PHE A 27 5.226 -3.448 -2.219 1.00 0.14 C ATOM 0 H PHE A 27 3.655 1.795 -1.523 1.00 0.13 H new ATOM 0 HA PHE A 27 5.655 0.571 0.312 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.637 1.300 -2.644 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.130 0.910 -1.814 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.428 -1.325 -0.741 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.013 -0.415 -3.177 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.969 -3.746 -0.993 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.546 -2.837 -3.419 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.021 -4.503 -2.325 1.00 0.14 H new ATOM 419 N SER A 28 5.410 3.530 0.444 1.00 0.30 N ATOM 420 CA SER A 28 6.015 4.857 0.748 1.00 0.24 C ATOM 421 C SER A 28 7.241 4.692 1.639 1.00 0.24 C ATOM 422 O SER A 28 7.275 3.867 2.528 1.00 0.28 O ATOM 423 CB SER A 28 4.996 5.737 1.475 1.00 0.27 C ATOM 424 OG SER A 28 3.855 5.932 0.647 1.00 0.29 O ATOM 0 H SER A 28 4.442 3.411 0.741 1.00 0.30 H new ATOM 0 HA SER A 28 6.309 5.323 -0.192 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.701 5.269 2.414 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.444 6.698 1.726 1.00 0.27 H new ATOM 0 HG SER A 28 3.044 5.906 1.196 1.00 0.29 H new ATOM 430 N ALA A 29 8.244 5.500 1.417 1.00 0.20 N ATOM 431 CA ALA A 29 9.463 5.422 2.260 1.00 0.21 C ATOM 432 C ALA A 29 9.176 6.209 3.530 1.00 0.22 C ATOM 433 O ALA A 29 8.768 7.353 3.477 1.00 0.22 O ATOM 434 CB ALA A 29 10.665 6.045 1.522 1.00 0.19 C ATOM 0 H ALA A 29 8.267 6.211 0.686 1.00 0.20 H new ATOM 0 HA ALA A 29 9.709 4.384 2.486 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.552 5.981 2.152 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.841 5.505 0.592 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.453 7.091 1.299 1.00 0.19 H new ATOM 440 N THR A 30 9.388 5.625 4.668 1.00 0.23 N ATOM 441 CA THR A 30 9.119 6.373 5.917 1.00 0.24 C ATOM 442 C THR A 30 10.130 7.513 6.021 1.00 0.22 C ATOM 443 O THR A 30 9.832 8.571 6.536 1.00 0.22 O ATOM 444 CB THR A 30 9.269 5.447 7.129 1.00 0.28 C ATOM 445 OG1 THR A 30 9.018 6.181 8.322 1.00 0.30 O ATOM 446 CG2 THR A 30 10.688 4.882 7.167 1.00 0.29 C ATOM 0 H THR A 30 9.732 4.672 4.788 1.00 0.23 H new ATOM 0 HA THR A 30 8.102 6.765 5.901 1.00 0.24 H new ATOM 0 HB THR A 30 8.554 4.628 7.050 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.112 5.588 9.097 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.794 4.223 8.029 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.880 4.318 6.254 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.404 5.701 7.245 1.00 0.29 H new ATOM 454 N TRP A 31 11.323 7.319 5.521 1.00 0.22 N ATOM 455 CA TRP A 31 12.334 8.416 5.607 1.00 0.21 C ATOM 456 C TRP A 31 11.995 9.539 4.629 1.00 0.19 C ATOM 457 O TRP A 31 12.452 10.654 4.781 1.00 0.22 O ATOM 458 CB TRP A 31 13.718 7.884 5.263 1.00 0.23 C ATOM 459 CG TRP A 31 13.720 7.372 3.856 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.580 6.076 3.516 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.846 8.110 2.604 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.649 5.960 2.142 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.802 7.184 1.534 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.003 9.472 2.294 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.905 7.594 0.208 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.106 9.886 0.957 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.057 8.948 -0.083 1.00 0.21 C ATOM 0 H TRP A 31 11.638 6.463 5.064 1.00 0.22 H new ATOM 0 HA TRP A 31 12.322 8.801 6.627 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.461 8.674 5.375 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.994 7.086 5.952 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.437 5.259 4.207 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.593 5.074 1.639 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.045 10.203 3.088 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.867 6.867 -0.590 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.224 10.935 0.728 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.137 9.274 -1.109 1.00 0.21 H new ATOM 478 N CYS A 32 11.199 9.275 3.629 1.00 0.18 N ATOM 479 CA CYS A 32 10.853 10.362 2.671 1.00 0.17 C ATOM 480 C CYS A 32 9.664 11.140 3.251 1.00 0.17 C ATOM 481 O CYS A 32 8.596 10.605 3.474 1.00 0.20 O ATOM 482 CB CYS A 32 10.524 9.752 1.296 1.00 0.18 C ATOM 483 SG CYS A 32 10.621 11.046 0.020 1.00 0.26 S ATOM 0 H CYS A 32 10.778 8.366 3.435 1.00 0.18 H new ATOM 0 HA CYS A 32 11.689 11.047 2.529 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.222 8.947 1.067 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.526 9.314 1.310 1.00 0.18 H new ATOM 488 N GLY A 33 9.877 12.401 3.544 1.00 0.20 N ATOM 489 CA GLY A 33 8.807 13.242 4.165 1.00 0.23 C ATOM 490 C GLY A 33 7.578 13.366 3.260 1.00 0.21 C ATOM 491 O GLY A 33 6.470 13.132 3.692 1.00 0.22 O ATOM 0 H GLY A 33 10.758 12.888 3.377 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.512 12.807 5.120 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.203 14.235 4.376 1.00 0.23 H new ATOM 495 N PRO A 34 7.752 13.744 2.023 1.00 0.21 N ATOM 496 CA PRO A 34 6.593 13.883 1.102 1.00 0.22 C ATOM 497 C PRO A 34 5.736 12.612 1.065 1.00 0.22 C ATOM 498 O PRO A 34 4.530 12.668 0.959 1.00 0.24 O ATOM 499 CB PRO A 34 7.293 14.148 -0.237 1.00 0.29 C ATOM 500 CG PRO A 34 8.706 14.648 0.086 1.00 0.31 C ATOM 501 CD PRO A 34 9.089 14.070 1.452 1.00 0.24 C ATOM 0 HA PRO A 34 5.889 14.663 1.391 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.334 13.239 -0.837 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.745 14.890 -0.818 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.412 14.327 -0.680 1.00 0.31 H new ATOM 0 HG3 PRO A 34 8.733 15.737 0.108 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.722 13.187 1.361 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.632 14.790 2.064 1.00 0.24 H new ATOM 509 N ALA A 35 6.360 11.471 1.153 1.00 0.21 N ATOM 510 CA ALA A 35 5.593 10.194 1.120 1.00 0.23 C ATOM 511 C ALA A 35 4.907 9.949 2.473 1.00 0.23 C ATOM 512 O ALA A 35 3.717 9.709 2.543 1.00 0.22 O ATOM 513 CB ALA A 35 6.568 9.048 0.799 1.00 0.24 C ATOM 0 H ALA A 35 7.370 11.367 1.247 1.00 0.21 H new ATOM 0 HA ALA A 35 4.819 10.246 0.355 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.023 8.104 0.771 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.034 9.227 -0.170 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.338 8.999 1.569 1.00 0.24 H new ATOM 519 N LYS A 36 5.649 10.000 3.545 1.00 0.25 N ATOM 520 CA LYS A 36 5.037 9.771 4.885 1.00 0.27 C ATOM 521 C LYS A 36 3.950 10.821 5.132 1.00 0.26 C ATOM 522 O LYS A 36 2.927 10.546 5.720 1.00 0.27 O ATOM 523 CB LYS A 36 6.112 9.866 5.970 1.00 0.33 C ATOM 524 CG LYS A 36 5.521 9.414 7.310 1.00 0.37 C ATOM 525 CD LYS A 36 6.495 9.739 8.444 1.00 0.44 C ATOM 526 CE LYS A 36 5.934 9.209 9.765 1.00 0.89 C ATOM 527 NZ LYS A 36 6.877 9.537 10.870 1.00 1.59 N ATOM 0 H LYS A 36 6.651 10.190 3.551 1.00 0.25 H new ATOM 0 HA LYS A 36 4.592 8.776 4.916 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.966 9.242 5.707 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.477 10.890 6.048 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.567 9.913 7.484 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.321 8.343 7.286 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.467 9.289 8.243 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.649 10.816 8.508 1.00 0.44 H new ATOM 0 HE2 LYS A 36 4.958 9.652 9.962 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.789 8.130 9.704 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.497 9.177 11.769 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.799 9.095 10.682 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.994 10.569 10.932 1.00 1.59 H new ATOM 541 N MET A 37 4.173 12.022 4.679 1.00 0.28 N ATOM 542 CA MET A 37 3.176 13.115 4.871 1.00 0.30 C ATOM 543 C MET A 37 1.855 12.725 4.207 1.00 0.25 C ATOM 544 O MET A 37 0.803 13.156 4.613 1.00 0.25 O ATOM 545 CB MET A 37 3.710 14.402 4.239 1.00 0.38 C ATOM 546 CG MET A 37 2.808 15.591 4.604 1.00 0.44 C ATOM 547 SD MET A 37 1.324 15.577 3.567 1.00 1.54 S ATOM 548 CE MET A 37 2.017 16.481 2.159 1.00 2.10 C ATOM 0 H MET A 37 5.016 12.298 4.176 1.00 0.28 H new ATOM 0 HA MET A 37 3.009 13.275 5.936 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.727 14.589 4.584 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.756 14.291 3.156 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.528 15.537 5.656 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.350 16.526 4.466 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.480 16.207 1.251 1.00 2.10 H new ATOM 0 HE2 MET A 37 1.917 17.553 2.330 1.00 2.10 H new ATOM 0 HE3 MET A 37 3.071 16.228 2.047 1.00 2.10 H new ATOM 558 N ILE A 38 1.923 11.937 3.171 1.00 0.23 N ATOM 559 CA ILE A 38 0.696 11.511 2.433 1.00 0.25 C ATOM 560 C ILE A 38 -0.015 10.371 3.183 1.00 0.26 C ATOM 561 O ILE A 38 -1.037 9.883 2.745 1.00 0.31 O ATOM 562 CB ILE A 38 1.094 11.028 1.024 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.560 12.235 0.198 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.113 10.372 0.324 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.298 11.755 -1.055 1.00 0.49 C ATOM 0 H ILE A 38 2.794 11.562 2.796 1.00 0.23 H new ATOM 0 HA ILE A 38 0.015 12.359 2.359 1.00 0.25 H new ATOM 0 HB ILE A 38 1.896 10.295 1.109 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.703 12.845 -0.086 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.216 12.866 0.798 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.182 10.035 -0.670 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.454 9.518 0.910 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.921 11.098 0.236 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.626 12.617 -1.637 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.165 11.163 -0.762 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.629 11.143 -1.659 1.00 0.49 H new ATOM 577 N LYS A 39 0.528 9.907 4.281 1.00 0.27 N ATOM 578 CA LYS A 39 -0.139 8.766 4.984 1.00 0.34 C ATOM 579 C LYS A 39 -1.567 9.084 5.488 1.00 0.30 C ATOM 580 O LYS A 39 -2.361 8.180 5.587 1.00 0.33 O ATOM 581 CB LYS A 39 0.715 8.216 6.154 1.00 0.46 C ATOM 582 CG LYS A 39 0.659 9.116 7.410 1.00 0.50 C ATOM 583 CD LYS A 39 1.190 8.350 8.630 1.00 0.65 C ATOM 584 CE LYS A 39 0.286 7.145 8.952 1.00 0.80 C ATOM 585 NZ LYS A 39 0.871 5.919 8.335 1.00 0.75 N ATOM 0 H LYS A 39 1.383 10.257 4.713 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.232 7.997 4.217 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.367 7.216 6.413 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.751 8.119 5.828 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.252 10.016 7.249 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.366 9.438 7.591 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.206 8.007 8.436 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.237 9.016 9.492 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.198 7.018 10.031 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.720 7.316 8.568 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.151 5.446 7.753 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.680 6.183 7.738 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.190 5.272 9.084 1.00 0.75 H new ATOM 599 N PRO A 40 -1.923 10.306 5.853 1.00 0.26 N ATOM 600 CA PRO A 40 -3.302 10.548 6.372 1.00 0.25 C ATOM 601 C PRO A 40 -4.394 10.126 5.388 1.00 0.20 C ATOM 602 O PRO A 40 -5.394 9.575 5.780 1.00 0.21 O ATOM 603 CB PRO A 40 -3.292 12.066 6.601 1.00 0.26 C ATOM 604 CG PRO A 40 -1.828 12.484 6.689 1.00 0.28 C ATOM 605 CD PRO A 40 -1.058 11.516 5.787 1.00 0.27 C ATOM 0 HA PRO A 40 -3.531 9.965 7.264 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.794 12.584 5.784 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.824 12.323 7.517 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.696 13.514 6.358 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.468 12.430 7.716 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.957 11.894 4.770 1.00 0.27 H new ATOM 0 HD3 PRO A 40 -0.051 11.322 6.157 1.00 0.27 H new ATOM 613 N PHE A 41 -4.229 10.361 4.117 1.00 0.16 N ATOM 614 CA PHE A 41 -5.301 9.938 3.176 1.00 0.13 C ATOM 615 C PHE A 41 -5.319 8.410 3.110 1.00 0.13 C ATOM 616 O PHE A 41 -6.338 7.772 3.252 1.00 0.15 O ATOM 617 CB PHE A 41 -5.003 10.471 1.780 1.00 0.14 C ATOM 618 CG PHE A 41 -5.140 11.971 1.756 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.148 12.782 2.324 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.266 12.553 1.164 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.285 14.176 2.295 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.402 13.942 1.137 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.414 14.756 1.702 1.00 0.37 C ATOM 0 H PHE A 41 -3.419 10.816 3.697 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.259 10.325 3.522 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.994 10.186 1.482 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.687 10.024 1.058 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.280 12.333 2.783 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.030 11.927 0.728 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.521 14.803 2.730 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.272 14.389 0.679 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.522 15.830 1.681 1.00 0.37 H new ATOM 633 N PHE A 42 -4.173 7.823 2.929 1.00 0.12 N ATOM 634 CA PHE A 42 -4.084 6.342 2.865 1.00 0.13 C ATOM 635 C PHE A 42 -4.591 5.736 4.177 1.00 0.14 C ATOM 636 O PHE A 42 -5.446 4.874 4.190 1.00 0.16 O ATOM 637 CB PHE A 42 -2.617 5.969 2.615 1.00 0.13 C ATOM 638 CG PHE A 42 -2.466 4.475 2.598 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.795 3.760 1.445 1.00 0.12 C ATOM 640 CD2 PHE A 42 -2.009 3.800 3.739 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.672 2.369 1.426 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.883 2.404 3.719 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.217 1.688 2.561 1.00 0.13 C ATOM 0 H PHE A 42 -3.284 8.312 2.821 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.703 5.949 2.058 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.283 6.388 1.666 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.986 6.398 3.393 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.145 4.283 0.567 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.755 4.354 4.631 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.929 1.818 0.534 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.529 1.881 4.595 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.123 0.612 2.545 1.00 0.13 H new ATOM 653 N HIS A 43 -4.074 6.197 5.274 1.00 0.16 N ATOM 654 CA HIS A 43 -4.500 5.685 6.606 1.00 0.18 C ATOM 655 C HIS A 43 -5.962 6.087 6.894 1.00 0.16 C ATOM 656 O HIS A 43 -6.734 5.308 7.414 1.00 0.16 O ATOM 657 CB HIS A 43 -3.535 6.265 7.654 1.00 0.23 C ATOM 658 CG HIS A 43 -3.899 5.791 9.033 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.305 4.688 9.628 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.830 6.244 9.927 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.891 4.512 10.828 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.828 5.435 11.060 1.00 0.31 N ATOM 0 H HIS A 43 -3.358 6.923 5.308 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.462 4.596 6.635 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.513 5.966 7.419 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.564 7.354 7.619 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.470 7.101 9.777 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.635 3.722 11.518 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.416 5.527 11.889 1.00 0.31 H new ATOM 670 N SER A 44 -6.352 7.295 6.561 1.00 0.15 N ATOM 671 CA SER A 44 -7.767 7.735 6.814 1.00 0.15 C ATOM 672 C SER A 44 -8.758 6.854 6.037 1.00 0.13 C ATOM 673 O SER A 44 -9.835 6.547 6.507 1.00 0.15 O ATOM 674 CB SER A 44 -7.966 9.187 6.369 1.00 0.18 C ATOM 675 OG SER A 44 -7.177 10.054 7.178 1.00 0.22 O ATOM 0 H SER A 44 -5.754 7.997 6.125 1.00 0.15 H new ATOM 0 HA SER A 44 -7.952 7.644 7.884 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.685 9.297 5.322 1.00 0.18 H new ATOM 0 HB3 SER A 44 -9.018 9.460 6.447 1.00 0.18 H new ATOM 0 HG SER A 44 -6.332 10.249 6.721 1.00 0.22 H new ATOM 681 N LEU A 45 -8.415 6.482 4.833 1.00 0.12 N ATOM 682 CA LEU A 45 -9.342 5.660 4.001 1.00 0.14 C ATOM 683 C LEU A 45 -9.582 4.302 4.645 1.00 0.13 C ATOM 684 O LEU A 45 -10.557 3.638 4.358 1.00 0.15 O ATOM 685 CB LEU A 45 -8.742 5.471 2.613 1.00 0.16 C ATOM 686 CG LEU A 45 -8.782 6.804 1.841 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.762 6.777 0.697 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.184 7.038 1.259 1.00 0.22 C ATOM 0 H LEU A 45 -7.527 6.713 4.387 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.297 6.179 3.923 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.714 5.119 2.696 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.297 4.708 2.068 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.537 7.611 2.531 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.797 7.723 0.156 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.762 6.628 1.105 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.001 5.961 0.016 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.199 7.983 0.716 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.436 6.224 0.579 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.913 7.073 2.069 1.00 0.22 H new ATOM 700 N SER A 46 -8.708 3.867 5.498 1.00 0.12 N ATOM 701 CA SER A 46 -8.921 2.542 6.129 1.00 0.12 C ATOM 702 C SER A 46 -10.289 2.546 6.798 1.00 0.14 C ATOM 703 O SER A 46 -10.975 1.546 6.827 1.00 0.16 O ATOM 704 CB SER A 46 -7.836 2.275 7.170 1.00 0.13 C ATOM 705 OG SER A 46 -6.562 2.289 6.538 1.00 0.14 O ATOM 0 H SER A 46 -7.864 4.363 5.784 1.00 0.12 H new ATOM 0 HA SER A 46 -8.873 1.758 5.373 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.874 3.032 7.953 1.00 0.13 H new ATOM 0 HB3 SER A 46 -8.006 1.311 7.650 1.00 0.13 H new ATOM 0 HG SER A 46 -6.645 1.937 5.627 1.00 0.14 H new ATOM 711 N GLU A 47 -10.690 3.658 7.348 1.00 0.15 N ATOM 712 CA GLU A 47 -12.026 3.722 8.010 1.00 0.18 C ATOM 713 C GLU A 47 -13.106 4.047 6.974 1.00 0.18 C ATOM 714 O GLU A 47 -14.277 3.813 7.203 1.00 0.21 O ATOM 715 CB GLU A 47 -12.012 4.809 9.088 1.00 0.22 C ATOM 716 CG GLU A 47 -11.117 4.380 10.256 1.00 0.23 C ATOM 717 CD GLU A 47 -9.643 4.447 9.840 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.358 5.082 8.838 1.00 2.16 O ATOM 719 OE2 GLU A 47 -8.825 3.863 10.531 1.00 2.05 O ATOM 0 H GLU A 47 -10.153 4.525 7.369 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.245 2.757 8.467 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.649 5.746 8.666 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -13.026 4.992 9.444 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.291 5.028 11.115 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.370 3.366 10.565 1.00 0.23 H new ATOM 726 N LYS A 48 -12.735 4.592 5.835 1.00 0.17 N ATOM 727 CA LYS A 48 -13.770 4.910 4.805 1.00 0.19 C ATOM 728 C LYS A 48 -14.167 3.606 4.141 1.00 0.18 C ATOM 729 O LYS A 48 -15.319 3.373 3.843 1.00 0.21 O ATOM 730 CB LYS A 48 -13.215 5.874 3.751 1.00 0.20 C ATOM 731 CG LYS A 48 -14.350 6.271 2.787 1.00 0.30 C ATOM 732 CD LYS A 48 -13.811 7.136 1.637 1.00 0.82 C ATOM 733 CE LYS A 48 -13.552 8.571 2.122 1.00 1.03 C ATOM 734 NZ LYS A 48 -13.147 9.426 0.967 1.00 1.78 N ATOM 0 H LYS A 48 -11.775 4.826 5.581 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.627 5.390 5.277 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.802 6.761 4.232 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.401 5.402 3.200 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.821 5.375 2.384 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -15.120 6.819 3.330 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -12.888 6.704 1.250 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -14.527 7.147 0.815 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -14.450 8.975 2.589 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -12.770 8.573 2.881 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -12.972 10.396 1.298 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -12.279 9.044 0.540 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.907 9.434 0.257 1.00 1.78 H new ATOM 748 N TYR A 49 -13.207 2.735 3.938 1.00 0.16 N ATOM 749 CA TYR A 49 -13.500 1.400 3.330 1.00 0.17 C ATOM 750 C TYR A 49 -13.004 0.345 4.308 1.00 0.16 C ATOM 751 O TYR A 49 -12.070 -0.384 4.053 1.00 0.16 O ATOM 752 CB TYR A 49 -12.777 1.245 1.981 1.00 0.17 C ATOM 753 CG TYR A 49 -13.313 2.269 1.005 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.587 2.102 0.448 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.546 3.391 0.673 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.093 3.055 -0.442 1.00 0.25 C ATOM 757 CE2 TYR A 49 -13.054 4.347 -0.217 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.330 4.177 -0.775 1.00 0.21 C ATOM 759 OH TYR A 49 -14.837 5.116 -1.652 1.00 0.25 O ATOM 0 H TYR A 49 -12.226 2.894 4.170 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.569 1.294 3.144 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.703 1.379 2.113 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.927 0.239 1.589 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.179 1.237 0.706 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.563 3.520 1.102 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.075 2.923 -0.872 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.463 5.214 -0.473 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.182 5.834 -1.777 1.00 0.25 H new ATOM 769 N SER A 50 -13.651 0.263 5.438 1.00 0.17 N ATOM 770 CA SER A 50 -13.257 -0.722 6.472 1.00 0.18 C ATOM 771 C SER A 50 -13.458 -2.135 5.918 1.00 0.19 C ATOM 772 O SER A 50 -13.043 -3.111 6.507 1.00 0.21 O ATOM 773 CB SER A 50 -14.109 -0.490 7.719 1.00 0.20 C ATOM 774 OG SER A 50 -15.450 -0.882 7.455 1.00 0.22 O ATOM 0 H SER A 50 -14.448 0.848 5.688 1.00 0.17 H new ATOM 0 HA SER A 50 -12.207 -0.605 6.740 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.710 -1.061 8.557 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.076 0.561 8.005 1.00 0.20 H new ATOM 0 HG SER A 50 -15.997 -0.735 8.255 1.00 0.22 H new ATOM 780 N ASN A 51 -14.069 -2.244 4.767 1.00 0.20 N ATOM 781 CA ASN A 51 -14.272 -3.584 4.142 1.00 0.23 C ATOM 782 C ASN A 51 -13.073 -3.875 3.243 1.00 0.19 C ATOM 783 O ASN A 51 -13.061 -4.821 2.477 1.00 0.22 O ATOM 784 CB ASN A 51 -15.559 -3.582 3.311 1.00 0.32 C ATOM 785 CG ASN A 51 -15.934 -5.015 2.926 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.373 -5.791 3.757 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.776 -5.403 1.690 1.00 0.27 N ATOM 0 H ASN A 51 -14.438 -1.458 4.231 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.360 -4.350 4.912 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.369 -3.126 3.880 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.421 -2.979 2.413 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.020 -6.356 1.419 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.409 -4.754 0.995 1.00 0.27 H new ATOM 794 N VAL A 52 -12.056 -3.056 3.347 1.00 0.21 N ATOM 795 CA VAL A 52 -10.817 -3.246 2.538 1.00 0.17 C ATOM 796 C VAL A 52 -9.629 -3.194 3.491 1.00 0.13 C ATOM 797 O VAL A 52 -9.624 -2.439 4.442 1.00 0.14 O ATOM 798 CB VAL A 52 -10.704 -2.147 1.473 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.306 -2.183 0.821 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.779 -2.380 0.402 1.00 0.24 C ATOM 0 H VAL A 52 -12.034 -2.249 3.971 1.00 0.21 H new ATOM 0 HA VAL A 52 -10.842 -4.205 2.020 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.849 -1.172 1.939 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.236 -1.399 0.067 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.544 -2.021 1.584 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.149 -3.154 0.351 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.708 -1.604 -0.360 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.628 -3.356 -0.059 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.766 -2.345 0.863 1.00 0.24 H new ATOM 810 N ILE A 53 -8.630 -4.006 3.269 1.00 0.11 N ATOM 811 CA ILE A 53 -7.459 -4.008 4.198 1.00 0.09 C ATOM 812 C ILE A 53 -6.329 -3.146 3.606 1.00 0.09 C ATOM 813 O ILE A 53 -5.856 -3.398 2.517 1.00 0.12 O ATOM 814 CB ILE A 53 -6.963 -5.451 4.359 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.148 -6.374 4.702 1.00 0.13 C ATOM 816 CG2 ILE A 53 -5.926 -5.520 5.486 1.00 0.13 C ATOM 817 CD1 ILE A 53 -8.932 -5.825 5.901 1.00 0.15 C ATOM 0 H ILE A 53 -8.572 -4.664 2.491 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.753 -3.601 5.165 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.507 -5.776 3.424 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.808 -6.463 3.839 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.782 -7.376 4.928 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.577 -6.547 5.597 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.082 -4.874 5.244 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.381 -5.189 6.420 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.765 -6.491 6.127 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.274 -5.760 6.767 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.316 -4.833 5.662 1.00 0.15 H new ATOM 829 N PHE A 54 -5.895 -2.132 4.323 1.00 0.08 N ATOM 830 CA PHE A 54 -4.791 -1.246 3.818 1.00 0.09 C ATOM 831 C PHE A 54 -3.473 -1.637 4.510 1.00 0.09 C ATOM 832 O PHE A 54 -3.387 -1.643 5.721 1.00 0.12 O ATOM 833 CB PHE A 54 -5.114 0.212 4.175 1.00 0.10 C ATOM 834 CG PHE A 54 -6.309 0.707 3.386 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.599 0.278 3.721 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.129 1.615 2.334 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.705 0.758 3.004 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.232 2.089 1.617 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.520 1.661 1.953 1.00 0.10 C ATOM 0 H PHE A 54 -6.260 -1.879 5.241 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.697 -1.358 2.738 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.319 0.293 5.243 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.249 0.842 3.967 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.742 -0.422 4.531 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.135 1.950 2.076 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.700 0.430 3.264 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.089 2.785 0.804 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.372 2.028 1.400 1.00 0.10 H new ATOM 849 N LEU A 55 -2.439 -1.961 3.759 1.00 0.09 N ATOM 850 CA LEU A 55 -1.124 -2.349 4.380 1.00 0.11 C ATOM 851 C LEU A 55 -0.100 -1.249 4.125 1.00 0.10 C ATOM 852 O LEU A 55 -0.095 -0.629 3.082 1.00 0.10 O ATOM 853 CB LEU A 55 -0.580 -3.658 3.756 1.00 0.12 C ATOM 854 CG LEU A 55 -1.339 -4.906 4.264 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.839 -4.647 4.385 1.00 0.20 C ATOM 856 CD2 LEU A 55 -1.130 -6.069 3.294 1.00 0.22 C ATOM 0 H LEU A 55 -2.450 -1.973 2.739 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.286 -2.495 5.448 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.661 -3.602 2.670 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.479 -3.758 3.992 1.00 0.12 H new ATOM 0 HG LEU A 55 -0.943 -5.147 5.250 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.336 -5.548 4.745 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.012 -3.832 5.088 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.241 -4.376 3.409 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.667 -6.946 3.656 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.507 -5.794 2.309 1.00 0.22 H new ATOM 0 HD23 LEU A 55 -0.067 -6.298 3.224 1.00 0.22 H new ATOM 868 N GLU A 56 0.795 -1.036 5.058 1.00 0.12 N ATOM 869 CA GLU A 56 1.863 -0.005 4.873 1.00 0.13 C ATOM 870 C GLU A 56 3.188 -0.750 4.773 1.00 0.13 C ATOM 871 O GLU A 56 3.490 -1.593 5.593 1.00 0.14 O ATOM 872 CB GLU A 56 1.909 0.949 6.070 1.00 0.15 C ATOM 873 CG GLU A 56 2.889 2.090 5.767 1.00 0.17 C ATOM 874 CD GLU A 56 3.097 2.946 7.019 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.909 2.561 7.846 1.00 1.13 O ATOM 876 OE2 GLU A 56 2.446 3.974 7.128 1.00 1.05 O ATOM 0 H GLU A 56 0.832 -1.536 5.946 1.00 0.12 H new ATOM 0 HA GLU A 56 1.665 0.586 3.979 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.915 1.350 6.269 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.222 0.413 6.966 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.843 1.682 5.432 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.503 2.706 4.955 1.00 0.17 H new ATOM 883 N VAL A 57 3.966 -0.465 3.763 1.00 0.12 N ATOM 884 CA VAL A 57 5.271 -1.176 3.577 1.00 0.12 C ATOM 885 C VAL A 57 6.420 -0.166 3.480 1.00 0.11 C ATOM 886 O VAL A 57 6.353 0.805 2.750 1.00 0.13 O ATOM 887 CB VAL A 57 5.211 -1.993 2.288 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.571 -2.639 2.024 1.00 0.15 C ATOM 889 CG2 VAL A 57 4.154 -3.088 2.432 1.00 0.14 C ATOM 0 H VAL A 57 3.754 0.235 3.052 1.00 0.12 H new ATOM 0 HA VAL A 57 5.447 -1.829 4.432 1.00 0.12 H new ATOM 0 HB VAL A 57 4.953 -1.337 1.457 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.525 -3.221 1.104 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.329 -1.863 1.924 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.830 -3.295 2.855 1.00 0.15 H new ATOM 0 HG21 VAL A 57 4.109 -3.673 1.513 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.417 -3.740 3.265 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.182 -2.633 2.620 1.00 0.14 H new ATOM 899 N ASP A 58 7.474 -0.403 4.212 1.00 0.10 N ATOM 900 CA ASP A 58 8.653 0.512 4.183 1.00 0.09 C ATOM 901 C ASP A 58 9.677 -0.046 3.194 1.00 0.09 C ATOM 902 O ASP A 58 10.201 -1.124 3.379 1.00 0.09 O ATOM 903 CB ASP A 58 9.273 0.538 5.577 1.00 0.10 C ATOM 904 CG ASP A 58 10.319 1.654 5.662 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.704 2.164 4.622 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.712 1.984 6.771 1.00 1.02 O ATOM 0 H ASP A 58 7.570 -1.203 4.838 1.00 0.10 H new ATOM 0 HA ASP A 58 8.354 1.517 3.884 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.498 0.697 6.326 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.736 -0.424 5.796 1.00 0.10 H new ATOM 911 N VAL A 59 10.004 0.668 2.162 1.00 0.09 N ATOM 912 CA VAL A 59 11.012 0.120 1.219 1.00 0.10 C ATOM 913 C VAL A 59 12.337 0.024 1.957 1.00 0.11 C ATOM 914 O VAL A 59 13.246 -0.663 1.537 1.00 0.12 O ATOM 915 CB VAL A 59 11.178 1.047 0.016 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.853 1.144 -0.735 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.613 2.437 0.485 1.00 0.16 C ATOM 0 H VAL A 59 9.628 1.588 1.931 1.00 0.09 H new ATOM 0 HA VAL A 59 10.689 -0.858 0.862 1.00 0.10 H new ATOM 0 HB VAL A 59 11.942 0.644 -0.648 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.969 1.805 -1.594 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.556 0.153 -1.078 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.087 1.543 -0.071 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.729 3.092 -0.378 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.857 2.848 1.154 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.563 2.362 1.014 1.00 0.16 H new ATOM 927 N ASP A 60 12.463 0.742 3.047 1.00 0.10 N ATOM 928 CA ASP A 60 13.743 0.724 3.816 1.00 0.12 C ATOM 929 C ASP A 60 13.728 -0.324 4.952 1.00 0.13 C ATOM 930 O ASP A 60 14.709 -1.008 5.157 1.00 0.15 O ATOM 931 CB ASP A 60 13.974 2.124 4.392 1.00 0.14 C ATOM 932 CG ASP A 60 14.542 3.049 3.308 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.763 3.555 2.520 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.751 3.226 3.285 1.00 1.07 O ATOM 0 H ASP A 60 11.733 1.339 3.436 1.00 0.10 H new ATOM 0 HA ASP A 60 14.552 0.443 3.142 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.036 2.529 4.773 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.664 2.071 5.234 1.00 0.14 H new ATOM 939 N ASP A 61 12.643 -0.484 5.682 1.00 0.13 N ATOM 940 CA ASP A 61 12.631 -1.521 6.782 1.00 0.15 C ATOM 941 C ASP A 61 12.013 -2.801 6.237 1.00 0.14 C ATOM 942 O ASP A 61 12.219 -3.880 6.758 1.00 0.19 O ATOM 943 CB ASP A 61 11.820 -1.033 7.993 1.00 0.16 C ATOM 944 CG ASP A 61 12.510 0.190 8.600 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.535 0.589 8.075 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.003 0.704 9.582 1.00 1.01 O ATOM 0 H ASP A 61 11.779 0.046 5.570 1.00 0.13 H new ATOM 0 HA ASP A 61 13.654 -1.701 7.111 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.805 -0.779 7.688 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.740 -1.827 8.736 1.00 0.16 H new ATOM 951 N ALA A 62 11.259 -2.680 5.178 1.00 0.11 N ATOM 952 CA ALA A 62 10.614 -3.865 4.545 1.00 0.12 C ATOM 953 C ALA A 62 11.109 -3.949 3.103 1.00 0.11 C ATOM 954 O ALA A 62 10.358 -4.211 2.185 1.00 0.12 O ATOM 955 CB ALA A 62 9.089 -3.713 4.566 1.00 0.14 C ATOM 0 H ALA A 62 11.060 -1.792 4.717 1.00 0.11 H new ATOM 0 HA ALA A 62 10.871 -4.772 5.092 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.630 -4.585 4.101 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.746 -3.629 5.597 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.805 -2.816 4.015 1.00 0.14 H new ATOM 961 N GLN A 63 12.377 -3.701 2.901 1.00 0.11 N ATOM 962 CA GLN A 63 12.943 -3.735 1.523 1.00 0.12 C ATOM 963 C GLN A 63 12.754 -5.125 0.911 1.00 0.12 C ATOM 964 O GLN A 63 12.794 -5.290 -0.288 1.00 0.14 O ATOM 965 CB GLN A 63 14.440 -3.399 1.580 1.00 0.13 C ATOM 966 CG GLN A 63 15.189 -4.530 2.284 1.00 0.15 C ATOM 967 CD GLN A 63 16.623 -4.094 2.573 1.00 0.77 C ATOM 968 OE1 GLN A 63 16.853 -3.001 3.047 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.604 -4.912 2.307 1.00 1.43 N ATOM 0 H GLN A 63 13.047 -3.475 3.636 1.00 0.11 H new ATOM 0 HA GLN A 63 12.424 -3.002 0.905 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.831 -3.261 0.572 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.593 -2.460 2.112 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.683 -4.791 3.214 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.189 -5.423 1.660 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.408 -5.830 1.909 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.566 -4.633 2.498 1.00 1.43 H new ATOM 978 N ASP A 64 12.553 -6.130 1.719 1.00 0.13 N ATOM 979 CA ASP A 64 12.367 -7.497 1.164 1.00 0.13 C ATOM 980 C ASP A 64 11.114 -7.527 0.300 1.00 0.15 C ATOM 981 O ASP A 64 11.074 -8.169 -0.730 1.00 0.16 O ATOM 982 CB ASP A 64 12.224 -8.502 2.313 1.00 0.17 C ATOM 983 CG ASP A 64 11.171 -8.010 3.302 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.041 -7.855 2.895 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.515 -7.810 4.454 1.00 1.02 O ATOM 0 H ASP A 64 12.510 -6.062 2.736 1.00 0.13 H new ATOM 0 HA ASP A 64 13.232 -7.764 0.557 1.00 0.13 H new ATOM 0 HB2 ASP A 64 11.940 -9.479 1.921 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.181 -8.628 2.819 1.00 0.17 H new ATOM 990 N VAL A 65 10.086 -6.839 0.701 1.00 0.17 N ATOM 991 CA VAL A 65 8.845 -6.846 -0.110 1.00 0.22 C ATOM 992 C VAL A 65 9.030 -5.975 -1.344 1.00 0.22 C ATOM 993 O VAL A 65 8.632 -6.328 -2.436 1.00 0.26 O ATOM 994 CB VAL A 65 7.696 -6.263 0.712 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.385 -6.464 -0.049 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.618 -6.957 2.082 1.00 0.32 C ATOM 0 H VAL A 65 10.052 -6.275 1.551 1.00 0.17 H new ATOM 0 HA VAL A 65 8.624 -7.872 -0.403 1.00 0.22 H new ATOM 0 HB VAL A 65 7.868 -5.199 0.872 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.560 -6.050 0.531 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.442 -5.956 -1.012 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.217 -7.529 -0.210 1.00 0.35 H new ATOM 0 HG21 VAL A 65 6.796 -6.533 2.658 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.449 -8.024 1.940 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.554 -6.806 2.620 1.00 0.32 H new ATOM 1006 N ALA A 66 9.600 -4.820 -1.172 1.00 0.19 N ATOM 1007 CA ALA A 66 9.773 -3.911 -2.329 1.00 0.22 C ATOM 1008 C ALA A 66 10.812 -4.482 -3.300 1.00 0.23 C ATOM 1009 O ALA A 66 10.663 -4.391 -4.501 1.00 0.26 O ATOM 1010 CB ALA A 66 10.193 -2.523 -1.823 1.00 0.25 C ATOM 0 H ALA A 66 9.952 -4.468 -0.282 1.00 0.19 H new ATOM 0 HA ALA A 66 8.830 -3.818 -2.868 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.322 -1.850 -2.671 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.422 -2.129 -1.161 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.133 -2.604 -1.278 1.00 0.25 H new ATOM 1016 N SER A 67 11.864 -5.064 -2.796 1.00 0.21 N ATOM 1017 CA SER A 67 12.896 -5.631 -3.706 1.00 0.23 C ATOM 1018 C SER A 67 12.243 -6.715 -4.567 1.00 0.23 C ATOM 1019 O SER A 67 12.544 -6.867 -5.732 1.00 0.24 O ATOM 1020 CB SER A 67 14.022 -6.239 -2.866 1.00 0.23 C ATOM 1021 OG SER A 67 13.507 -7.328 -2.111 1.00 0.22 O ATOM 0 H SER A 67 12.053 -5.171 -1.799 1.00 0.21 H new ATOM 0 HA SER A 67 13.309 -4.853 -4.348 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.831 -6.580 -3.512 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.442 -5.486 -2.200 1.00 0.23 H new ATOM 0 HG SER A 67 13.018 -6.985 -1.334 1.00 0.22 H new ATOM 1027 N GLU A 68 11.333 -7.456 -4.000 1.00 0.23 N ATOM 1028 CA GLU A 68 10.636 -8.521 -4.775 1.00 0.25 C ATOM 1029 C GLU A 68 9.842 -7.882 -5.917 1.00 0.22 C ATOM 1030 O GLU A 68 9.765 -8.414 -7.006 1.00 0.24 O ATOM 1031 CB GLU A 68 9.685 -9.283 -3.841 1.00 0.29 C ATOM 1032 CG GLU A 68 8.993 -10.426 -4.598 1.00 0.32 C ATOM 1033 CD GLU A 68 7.975 -11.103 -3.676 1.00 1.27 C ATOM 1034 OE1 GLU A 68 6.946 -10.498 -3.420 1.00 1.96 O ATOM 1035 OE2 GLU A 68 8.240 -12.213 -3.244 1.00 2.06 O ATOM 0 H GLU A 68 11.040 -7.369 -3.027 1.00 0.23 H new ATOM 0 HA GLU A 68 11.367 -9.214 -5.192 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.241 -9.684 -2.994 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.937 -8.600 -3.437 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.494 -10.039 -5.487 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.732 -11.152 -4.938 1.00 0.32 H new ATOM 1042 N ALA A 69 9.230 -6.753 -5.669 1.00 0.20 N ATOM 1043 CA ALA A 69 8.417 -6.089 -6.732 1.00 0.20 C ATOM 1044 C ALA A 69 9.298 -5.194 -7.607 1.00 0.19 C ATOM 1045 O ALA A 69 8.817 -4.555 -8.518 1.00 0.20 O ATOM 1046 CB ALA A 69 7.330 -5.234 -6.082 1.00 0.23 C ATOM 0 H ALA A 69 9.258 -6.262 -4.776 1.00 0.20 H new ATOM 0 HA ALA A 69 7.966 -6.861 -7.356 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.736 -4.749 -6.857 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.684 -5.867 -5.473 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.793 -4.475 -5.451 1.00 0.23 H new ATOM 1052 N GLU A 70 10.572 -5.122 -7.336 1.00 0.18 N ATOM 1053 CA GLU A 70 11.450 -4.247 -8.168 1.00 0.18 C ATOM 1054 C GLU A 70 10.869 -2.832 -8.220 1.00 0.17 C ATOM 1055 O GLU A 70 10.712 -2.262 -9.280 1.00 0.18 O ATOM 1056 CB GLU A 70 11.561 -4.790 -9.597 1.00 0.22 C ATOM 1057 CG GLU A 70 12.358 -6.094 -9.603 1.00 0.24 C ATOM 1058 CD GLU A 70 11.522 -7.221 -8.992 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.311 -7.183 -9.139 1.00 2.02 O ATOM 1060 OE2 GLU A 70 12.108 -8.107 -8.393 1.00 2.02 O ATOM 0 H GLU A 70 11.041 -5.625 -6.583 1.00 0.18 H new ATOM 0 HA GLU A 70 12.441 -4.229 -7.715 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.566 -4.961 -10.008 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.048 -4.054 -10.237 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.641 -6.352 -10.623 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.282 -5.968 -9.038 1.00 0.24 H new ATOM 1067 N VAL A 71 10.539 -2.257 -7.095 1.00 0.15 N ATOM 1068 CA VAL A 71 9.950 -0.886 -7.119 1.00 0.14 C ATOM 1069 C VAL A 71 11.001 0.108 -7.611 1.00 0.14 C ATOM 1070 O VAL A 71 12.139 0.093 -7.180 1.00 0.16 O ATOM 1071 CB VAL A 71 9.511 -0.488 -5.713 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.818 0.875 -5.778 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.540 -1.542 -5.170 1.00 0.15 C ATOM 0 H VAL A 71 10.650 -2.671 -6.169 1.00 0.15 H new ATOM 0 HA VAL A 71 9.088 -0.878 -7.786 1.00 0.14 H new ATOM 0 HB VAL A 71 10.376 -0.425 -5.053 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.500 1.169 -4.778 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.512 1.618 -6.171 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.948 0.810 -6.431 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.224 -1.262 -4.165 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.668 -1.603 -5.821 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.037 -2.512 -5.137 1.00 0.15 H new ATOM 1083 N LYS A 72 10.630 0.955 -8.539 1.00 0.15 N ATOM 1084 CA LYS A 72 11.595 1.945 -9.094 1.00 0.16 C ATOM 1085 C LYS A 72 11.340 3.343 -8.507 1.00 0.15 C ATOM 1086 O LYS A 72 12.112 4.257 -8.727 1.00 0.16 O ATOM 1087 CB LYS A 72 11.427 1.986 -10.614 1.00 0.19 C ATOM 1088 CG LYS A 72 11.810 0.621 -11.218 1.00 0.23 C ATOM 1089 CD LYS A 72 12.109 0.780 -12.710 1.00 0.74 C ATOM 1090 CE LYS A 72 12.382 -0.594 -13.320 1.00 0.88 C ATOM 1091 NZ LYS A 72 12.581 -0.449 -14.788 1.00 1.60 N ATOM 0 H LYS A 72 9.692 1.001 -8.937 1.00 0.15 H new ATOM 0 HA LYS A 72 12.610 1.647 -8.831 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.396 2.230 -10.869 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.054 2.770 -11.037 1.00 0.19 H new ATOM 0 HG2 LYS A 72 12.682 0.217 -10.704 1.00 0.23 H new ATOM 0 HG3 LYS A 72 10.998 -0.091 -11.074 1.00 0.23 H new ATOM 0 HD2 LYS A 72 11.266 1.253 -13.213 1.00 0.74 H new ATOM 0 HD3 LYS A 72 12.971 1.432 -12.852 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.267 -1.038 -12.863 1.00 0.88 H new ATOM 0 HE3 LYS A 72 11.548 -1.266 -13.119 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 12.767 -1.382 -15.207 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 11.725 -0.042 -15.216 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 13.390 0.179 -14.968 1.00 1.60 H new ATOM 1105 N ALA A 73 10.267 3.536 -7.771 1.00 0.13 N ATOM 1106 CA ALA A 73 10.002 4.899 -7.202 1.00 0.13 C ATOM 1107 C ALA A 73 8.957 4.836 -6.063 1.00 0.11 C ATOM 1108 O ALA A 73 8.125 3.952 -6.012 1.00 0.12 O ATOM 1109 CB ALA A 73 9.498 5.819 -8.335 1.00 0.14 C ATOM 0 H ALA A 73 9.575 2.822 -7.543 1.00 0.13 H new ATOM 0 HA ALA A 73 10.926 5.294 -6.780 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.301 6.814 -7.935 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.257 5.885 -9.115 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.580 5.409 -8.756 1.00 0.14 H new ATOM 1115 N THR A 74 8.979 5.812 -5.175 1.00 0.11 N ATOM 1116 CA THR A 74 7.980 5.871 -4.055 1.00 0.11 C ATOM 1117 C THR A 74 7.375 7.284 -4.057 1.00 0.12 C ATOM 1118 O THR A 74 8.032 8.214 -4.466 1.00 0.15 O ATOM 1119 CB THR A 74 8.697 5.638 -2.708 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.518 6.753 -2.404 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.560 4.386 -2.792 1.00 0.14 C ATOM 0 H THR A 74 9.655 6.576 -5.181 1.00 0.11 H new ATOM 0 HA THR A 74 7.211 5.110 -4.186 1.00 0.11 H new ATOM 0 HB THR A 74 7.949 5.511 -1.925 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.970 6.602 -1.548 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.064 4.227 -1.839 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.931 3.525 -3.019 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.304 4.509 -3.579 1.00 0.14 H new ATOM 1129 N PRO A 75 6.166 7.483 -3.573 1.00 0.13 N ATOM 1130 CA PRO A 75 5.290 6.393 -3.049 1.00 0.10 C ATOM 1131 C PRO A 75 4.656 5.548 -4.168 1.00 0.09 C ATOM 1132 O PRO A 75 4.273 6.058 -5.205 1.00 0.10 O ATOM 1133 CB PRO A 75 4.230 7.198 -2.273 1.00 0.12 C ATOM 1134 CG PRO A 75 4.250 8.640 -2.810 1.00 0.15 C ATOM 1135 CD PRO A 75 5.593 8.859 -3.527 1.00 0.16 C ATOM 0 HA PRO A 75 5.826 5.658 -2.449 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.243 6.755 -2.404 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.446 7.185 -1.205 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.420 8.803 -3.497 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.133 9.353 -1.994 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.456 9.275 -4.525 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.237 9.548 -2.980 1.00 0.16 H new ATOM 1143 N THR A 76 4.514 4.261 -3.943 1.00 0.09 N ATOM 1144 CA THR A 76 3.875 3.362 -4.960 1.00 0.09 C ATOM 1145 C THR A 76 2.785 2.547 -4.283 1.00 0.10 C ATOM 1146 O THR A 76 2.961 2.011 -3.205 1.00 0.12 O ATOM 1147 CB THR A 76 4.913 2.419 -5.582 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.915 3.178 -6.240 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.227 1.480 -6.579 1.00 0.13 C ATOM 0 H THR A 76 4.817 3.791 -3.090 1.00 0.09 H new ATOM 0 HA THR A 76 3.448 3.973 -5.755 1.00 0.09 H new ATOM 0 HB THR A 76 5.377 1.824 -4.795 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.785 3.003 -5.823 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.968 0.812 -7.018 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.469 0.892 -6.062 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.755 2.067 -7.367 1.00 0.13 H new ATOM 1157 N PHE A 77 1.651 2.468 -4.911 1.00 0.10 N ATOM 1158 CA PHE A 77 0.503 1.709 -4.338 1.00 0.10 C ATOM 1159 C PHE A 77 0.260 0.453 -5.173 1.00 0.10 C ATOM 1160 O PHE A 77 0.133 0.518 -6.378 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.739 2.604 -4.380 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.488 3.843 -3.544 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.782 3.834 -2.174 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.044 4.999 -4.138 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.546 4.977 -1.397 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.279 6.144 -3.358 1.00 0.16 C ATOM 1167 CZ PHE A 77 -0.015 6.131 -1.987 1.00 0.19 C ATOM 0 H PHE A 77 1.464 2.904 -5.814 1.00 0.10 H new ATOM 0 HA PHE A 77 0.718 1.418 -3.310 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.965 2.884 -5.409 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.605 2.063 -3.999 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.191 2.946 -1.716 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.272 5.008 -5.194 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.774 4.968 -0.341 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.686 7.034 -3.815 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.168 7.010 -1.387 1.00 0.19 H new ATOM 1177 N GLN A 78 0.168 -0.690 -4.534 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.089 -1.966 -5.276 1.00 0.09 C ATOM 1179 C GLN A 78 -1.352 -2.600 -4.719 1.00 0.08 C ATOM 1180 O GLN A 78 -1.609 -2.564 -3.532 1.00 0.09 O ATOM 1181 CB GLN A 78 1.089 -2.933 -5.099 1.00 0.09 C ATOM 1182 CG GLN A 78 2.313 -2.413 -5.861 1.00 0.12 C ATOM 1183 CD GLN A 78 3.405 -3.487 -5.881 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.116 -4.667 -5.930 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.657 -3.121 -5.838 1.00 0.29 N ATOM 0 H GLN A 78 0.261 -0.794 -3.524 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.206 -1.753 -6.339 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.327 -3.039 -4.041 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.816 -3.923 -5.465 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.033 -2.147 -6.880 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.690 -1.507 -5.387 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.898 -2.131 -5.797 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.395 -3.825 -5.845 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.152 -3.169 -5.575 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.425 -3.805 -5.123 1.00 0.07 C ATOM 1196 C PHE A 79 -3.321 -5.318 -5.210 1.00 0.07 C ATOM 1197 O PHE A 79 -2.913 -5.863 -6.215 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.555 -3.327 -6.025 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.729 -1.850 -5.803 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.870 -0.953 -6.433 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.726 -1.378 -4.946 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -4.007 0.418 -6.211 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.865 -0.007 -4.719 1.00 0.14 C ATOM 1204 CZ PHE A 79 -5.005 0.894 -5.352 1.00 0.12 C ATOM 0 H PHE A 79 -1.979 -3.222 -6.579 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.620 -3.526 -4.087 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.322 -3.531 -7.070 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.478 -3.859 -5.795 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.098 -1.318 -7.094 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.391 -2.075 -4.458 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.342 1.113 -6.703 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.636 0.356 -4.055 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.110 1.955 -5.179 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.711 -5.996 -4.162 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.672 -7.488 -4.152 1.00 0.08 C ATOM 1216 C PHE A 80 -5.057 -8.028 -3.798 1.00 0.09 C ATOM 1217 O PHE A 80 -5.777 -7.447 -3.013 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.653 -7.975 -3.120 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.244 -7.711 -3.608 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.597 -6.497 -3.315 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.573 -8.702 -4.341 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.714 -6.282 -3.759 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.738 -8.482 -4.780 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.382 -7.273 -4.489 1.00 0.15 C ATOM 0 H PHE A 80 -4.059 -5.573 -3.302 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.380 -7.848 -5.139 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.817 -7.468 -2.169 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.789 -9.041 -2.940 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.109 -5.733 -2.749 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.068 -9.635 -4.567 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.211 -5.349 -3.538 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.253 -9.246 -5.344 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.394 -7.105 -4.828 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.431 -9.147 -4.365 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.767 -9.740 -4.058 1.00 0.12 C ATOM 1236 C LYS A 81 -6.610 -11.263 -4.100 1.00 0.11 C ATOM 1237 O LYS A 81 -6.080 -11.811 -5.044 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.779 -9.271 -5.115 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.209 -9.455 -4.598 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.196 -9.173 -5.732 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.614 -9.073 -5.171 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.532 -8.650 -6.262 1.00 1.68 N ATOM 0 H LYS A 81 -4.866 -9.677 -5.029 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.127 -9.429 -3.077 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.604 -8.223 -5.356 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.642 -9.837 -6.036 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.346 -10.470 -4.225 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.395 -8.781 -3.762 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.928 -8.245 -6.237 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.145 -9.967 -6.477 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.928 -10.035 -4.765 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.646 -8.355 -4.351 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.501 -8.578 -5.892 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -12.232 -7.724 -6.629 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.505 -9.351 -7.029 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.023 -11.943 -3.064 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.863 -13.430 -3.017 1.00 0.13 C ATOM 1258 C LYS A 82 -5.375 -13.753 -3.159 1.00 0.13 C ATOM 1259 O LYS A 82 -4.995 -14.834 -3.564 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.644 -14.108 -4.143 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.125 -13.788 -3.999 1.00 0.20 C ATOM 1262 CD LYS A 82 -9.918 -14.645 -4.980 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.395 -14.256 -4.925 1.00 0.31 C ATOM 1264 NZ LYS A 82 -11.595 -12.919 -5.561 1.00 1.22 N ATOM 0 H LYS A 82 -7.467 -11.532 -2.243 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.254 -13.803 -2.070 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.279 -13.764 -5.111 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.489 -15.186 -4.109 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.454 -13.982 -2.978 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.302 -12.730 -4.195 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.533 -14.509 -5.991 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.800 -15.700 -4.734 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.996 -15.006 -5.439 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.734 -14.230 -3.890 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -12.605 -12.780 -5.766 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.267 -12.174 -4.914 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -11.053 -12.871 -6.447 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.533 -12.813 -2.826 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.066 -13.034 -2.934 1.00 0.16 C ATOM 1280 C GLY A 83 -2.604 -12.803 -4.374 1.00 0.16 C ATOM 1281 O GLY A 83 -1.517 -13.198 -4.750 1.00 0.23 O ATOM 0 H GLY A 83 -4.804 -11.892 -2.480 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.538 -12.358 -2.262 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.819 -14.049 -2.623 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.421 -12.164 -5.183 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.039 -11.907 -6.613 1.00 0.15 C ATOM 1287 C GLN A 84 -2.925 -10.400 -6.859 1.00 0.12 C ATOM 1288 O GLN A 84 -3.756 -9.636 -6.428 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.130 -12.468 -7.542 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.313 -13.976 -7.317 1.00 0.33 C ATOM 1291 CD GLN A 84 -3.047 -14.737 -7.715 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -2.003 -14.675 -6.946 1.00 0.95 O flip ATOM 1293 NE2 GLN A 84 -3.018 -15.403 -8.730 1.00 2.07 N flip ATOM 0 H GLN A 84 -4.338 -11.808 -4.914 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.083 -12.390 -6.815 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.072 -11.951 -7.358 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.861 -12.281 -8.582 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.545 -14.167 -6.269 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.159 -14.336 -7.902 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -3.840 -15.450 -9.333 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -2.172 -15.915 -8.980 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.921 -9.970 -7.583 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.780 -8.511 -7.876 1.00 0.12 C ATOM 1304 C LYS A 85 -2.703 -8.173 -9.038 1.00 0.14 C ATOM 1305 O LYS A 85 -2.599 -8.744 -10.106 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.335 -8.202 -8.267 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.180 -6.694 -8.479 1.00 0.20 C ATOM 1308 CD LYS A 85 1.283 -6.361 -8.801 1.00 0.28 C ATOM 1309 CE LYS A 85 1.638 -6.842 -10.215 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.908 -6.205 -10.656 1.00 1.82 N ATOM 0 H LYS A 85 -1.195 -10.565 -7.983 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.041 -7.922 -6.997 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.346 -8.543 -7.487 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.070 -8.738 -9.178 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.825 -6.364 -9.293 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.496 -6.158 -7.584 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.444 -5.286 -8.724 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.940 -6.835 -8.072 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.741 -7.927 -10.225 1.00 1.28 H new ATOM 0 HE3 LYS A 85 0.834 -6.591 -10.907 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.146 -6.532 -11.614 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 2.794 -5.171 -10.662 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.673 -6.465 -10.001 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.619 -7.262 -8.835 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.579 -6.890 -9.915 1.00 0.18 C ATOM 1326 C VAL A 86 -4.466 -5.392 -10.234 1.00 0.17 C ATOM 1327 O VAL A 86 -5.310 -4.833 -10.906 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.999 -7.224 -9.441 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.153 -8.743 -9.271 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.245 -6.553 -8.090 1.00 0.26 C ATOM 0 H VAL A 86 -3.743 -6.755 -7.958 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.349 -7.449 -10.822 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.716 -6.866 -10.180 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.164 -8.971 -8.934 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.969 -9.236 -10.225 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.435 -9.101 -8.533 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.253 -6.786 -7.746 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.520 -6.921 -7.364 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.138 -5.473 -8.195 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.436 -4.731 -9.767 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.310 -3.274 -10.080 1.00 0.17 C ATOM 1342 C GLY A 87 -2.050 -2.684 -9.450 1.00 0.12 C ATOM 1343 O GLY A 87 -1.516 -3.194 -8.485 1.00 0.17 O ATOM 0 H GLY A 87 -2.691 -5.127 -9.194 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.281 -3.132 -11.160 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.188 -2.742 -9.712 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.577 -1.597 -10.001 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.359 -0.938 -9.459 1.00 0.13 C ATOM 1349 C GLU A 88 -0.238 0.456 -10.078 1.00 0.11 C ATOM 1350 O GLU A 88 -0.583 0.666 -11.223 1.00 0.14 O ATOM 1351 CB GLU A 88 0.870 -1.819 -9.820 1.00 0.21 C ATOM 1352 CG GLU A 88 2.140 -0.987 -10.096 1.00 0.58 C ATOM 1353 CD GLU A 88 2.475 -0.115 -8.892 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.712 -0.121 -7.948 1.00 1.93 O ATOM 1355 OE2 GLU A 88 3.496 0.542 -8.939 1.00 1.87 O ATOM 0 H GLU A 88 -1.989 -1.135 -10.812 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.414 -0.831 -8.376 1.00 0.13 H new ATOM 0 HB2 GLU A 88 1.066 -2.514 -9.003 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.636 -2.419 -10.699 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.976 -1.650 -10.317 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.989 -0.361 -10.976 1.00 0.58 H new ATOM 1362 N PHE A 89 0.296 1.397 -9.348 1.00 0.10 N ATOM 1363 CA PHE A 89 0.489 2.751 -9.936 1.00 0.09 C ATOM 1364 C PHE A 89 1.407 3.562 -9.023 1.00 0.10 C ATOM 1365 O PHE A 89 1.617 3.217 -7.876 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.853 3.473 -10.127 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.391 4.017 -8.822 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.883 5.222 -8.329 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.413 3.353 -8.137 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.397 5.772 -7.151 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.924 3.898 -6.948 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.416 5.110 -6.459 1.00 0.14 C ATOM 0 H PHE A 89 0.603 1.289 -8.381 1.00 0.10 H new ATOM 0 HA PHE A 89 0.945 2.647 -10.920 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.728 4.290 -10.837 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.578 2.783 -10.559 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.091 5.730 -8.860 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.808 2.424 -8.521 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.008 6.707 -6.776 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.707 3.384 -6.411 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.812 5.532 -5.547 1.00 0.14 H new ATOM 1382 N SER A 90 1.964 4.624 -9.532 1.00 0.10 N ATOM 1383 CA SER A 90 2.888 5.474 -8.725 1.00 0.10 C ATOM 1384 C SER A 90 2.457 6.927 -8.810 1.00 0.09 C ATOM 1385 O SER A 90 1.613 7.296 -9.603 1.00 0.11 O ATOM 1386 CB SER A 90 4.302 5.353 -9.278 1.00 0.11 C ATOM 1387 OG SER A 90 4.309 5.789 -10.631 1.00 0.12 O ATOM 0 H SER A 90 1.817 4.946 -10.489 1.00 0.10 H new ATOM 0 HA SER A 90 2.861 5.141 -7.688 1.00 0.10 H new ATOM 0 HB2 SER A 90 4.991 5.955 -8.685 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.644 4.320 -9.214 1.00 0.11 H new ATOM 0 HG SER A 90 5.216 5.716 -10.994 1.00 0.12 H new ATOM 1393 N GLY A 91 3.043 7.755 -7.990 1.00 0.09 N ATOM 1394 CA GLY A 91 2.705 9.207 -7.998 1.00 0.09 C ATOM 1395 C GLY A 91 2.021 9.569 -6.687 1.00 0.10 C ATOM 1396 O GLY A 91 1.240 8.809 -6.152 1.00 0.12 O ATOM 0 H GLY A 91 3.750 7.484 -7.307 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.609 9.802 -8.127 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.050 9.436 -8.839 1.00 0.09 H new ATOM 1400 N ALA A 92 2.310 10.724 -6.161 1.00 0.11 N ATOM 1401 CA ALA A 92 1.673 11.133 -4.884 1.00 0.14 C ATOM 1402 C ALA A 92 0.255 11.657 -5.155 1.00 0.13 C ATOM 1403 O ALA A 92 -0.034 12.818 -4.940 1.00 0.17 O ATOM 1404 CB ALA A 92 2.520 12.243 -4.252 1.00 0.18 C ATOM 0 H ALA A 92 2.959 11.401 -6.561 1.00 0.11 H new ATOM 0 HA ALA A 92 1.610 10.279 -4.209 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.066 12.556 -3.312 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.526 11.870 -4.063 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.571 13.094 -4.932 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.638 10.797 -5.595 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.053 11.222 -5.849 1.00 0.14 C ATOM 1412 C ASN A 93 -2.959 10.402 -4.935 1.00 0.13 C ATOM 1413 O ASN A 93 -3.257 9.257 -5.203 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.435 10.961 -7.305 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.833 11.532 -7.548 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.820 10.969 -7.128 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -3.959 12.651 -8.197 1.00 0.75 N ATOM 0 H ASN A 93 -0.445 9.815 -5.789 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.161 12.288 -5.650 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.713 11.427 -7.976 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.421 9.891 -7.515 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -4.885 13.050 -8.350 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.132 13.130 -8.553 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.379 10.972 -3.848 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.244 10.225 -2.893 1.00 0.15 C ATOM 1426 C LYS A 94 -5.643 9.957 -3.474 1.00 0.15 C ATOM 1427 O LYS A 94 -6.252 8.947 -3.190 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.386 11.061 -1.621 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.800 12.519 -1.971 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.617 13.488 -1.816 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.142 14.920 -1.875 1.00 0.59 C ATOM 1432 NZ LYS A 94 -3.012 15.879 -1.709 1.00 1.06 N ATOM 0 H LYS A 94 -3.161 11.930 -3.574 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.779 9.261 -2.687 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.132 10.612 -0.965 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.443 11.066 -1.075 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.173 12.558 -2.995 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.617 12.833 -1.322 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.107 13.312 -0.869 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.886 13.321 -2.608 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.642 15.095 -2.827 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.883 15.078 -1.092 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.374 16.853 -1.750 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.553 15.719 -0.790 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.320 15.735 -2.472 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.161 10.846 -4.274 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.521 10.635 -4.848 1.00 0.15 C ATOM 1448 C GLU A 95 -7.518 9.414 -5.768 1.00 0.15 C ATOM 1449 O GLU A 95 -8.518 8.743 -5.942 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.931 11.875 -5.640 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.982 13.091 -4.709 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.095 12.901 -3.672 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -9.999 12.126 -3.939 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -9.025 13.534 -2.631 1.00 1.61 O ATOM 0 H GLU A 95 -5.701 11.712 -4.556 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.231 10.465 -4.039 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.221 12.053 -6.448 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.906 11.717 -6.101 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.022 13.218 -4.208 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.162 13.997 -5.288 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.400 9.143 -6.368 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.283 7.984 -7.298 1.00 0.15 C ATOM 1463 C LYS A 96 -6.556 6.703 -6.519 1.00 0.14 C ATOM 1464 O LYS A 96 -7.126 5.760 -7.029 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.858 7.970 -7.841 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.706 6.980 -9.001 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.371 7.266 -9.709 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.147 6.262 -10.839 1.00 0.82 C ATOM 1469 NZ LYS A 96 -4.162 6.489 -11.901 1.00 1.45 N ATOM 0 H LYS A 96 -5.543 9.684 -6.254 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.996 8.060 -8.119 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.587 8.970 -8.178 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.166 7.704 -7.042 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.727 5.955 -8.631 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.536 7.084 -9.700 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.373 8.280 -10.109 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.551 7.207 -8.993 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -2.143 6.375 -11.248 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -3.223 5.244 -10.458 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -3.871 5.997 -12.770 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -5.082 6.121 -11.586 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -4.244 7.508 -12.091 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.151 6.668 -5.278 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.385 5.451 -4.454 1.00 0.13 C ATOM 1485 C LEU A 97 -7.881 5.195 -4.387 1.00 0.14 C ATOM 1486 O LEU A 97 -8.350 4.077 -4.437 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.907 5.704 -3.014 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.376 5.690 -2.927 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.944 6.356 -1.610 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.841 4.232 -2.979 1.00 0.19 C ATOM 0 H LEU A 97 -5.669 7.430 -4.801 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.851 4.610 -4.895 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.285 6.666 -2.666 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.318 4.942 -2.352 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.964 6.238 -3.774 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.856 6.351 -1.539 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.304 7.385 -1.587 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.365 5.805 -0.769 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.753 4.241 -2.916 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.248 3.665 -2.142 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.146 3.766 -3.916 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.620 6.245 -4.255 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.100 6.121 -4.139 1.00 0.15 C ATOM 1504 C GLU A 98 -10.699 5.506 -5.405 1.00 0.16 C ATOM 1505 O GLU A 98 -11.583 4.678 -5.337 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.684 7.517 -3.909 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.197 7.428 -3.698 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.772 8.838 -3.553 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -11.997 9.777 -3.577 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -13.977 8.953 -3.418 1.00 2.10 O ATOM 0 H GLU A 98 -8.265 7.201 -4.221 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.344 5.465 -3.304 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.215 7.977 -3.039 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.466 8.156 -4.765 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.664 6.918 -4.541 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.417 6.840 -2.807 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.248 5.914 -6.554 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.826 5.359 -7.812 1.00 0.17 C ATOM 1519 C ALA A 99 -10.455 3.886 -7.991 1.00 0.16 C ATOM 1520 O ALA A 99 -11.270 3.080 -8.394 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.317 6.152 -9.014 1.00 0.19 C ATOM 0 H ALA A 99 -9.508 6.604 -6.680 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.911 5.440 -7.744 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.744 5.740 -9.929 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.614 7.196 -8.913 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.230 6.086 -9.059 1.00 0.19 H new ATOM 1527 N THR A 100 -9.232 3.522 -7.726 1.00 0.16 N ATOM 1528 CA THR A 100 -8.840 2.099 -7.924 1.00 0.16 C ATOM 1529 C THR A 100 -9.615 1.199 -6.956 1.00 0.15 C ATOM 1530 O THR A 100 -10.053 0.123 -7.311 1.00 0.15 O ATOM 1531 CB THR A 100 -7.339 1.933 -7.692 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.632 2.873 -8.490 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.931 0.514 -8.090 1.00 0.20 C ATOM 0 H THR A 100 -8.495 4.139 -7.385 1.00 0.16 H new ATOM 0 HA THR A 100 -9.078 1.809 -8.947 1.00 0.16 H new ATOM 0 HB THR A 100 -7.104 2.103 -6.641 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.657 3.753 -8.059 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.861 0.384 -7.928 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.480 -0.206 -7.483 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.161 0.351 -9.143 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.801 1.636 -5.741 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.559 0.806 -4.755 1.00 0.13 C ATOM 1543 C ILE A 101 -11.977 0.605 -5.280 1.00 0.14 C ATOM 1544 O ILE A 101 -12.477 -0.497 -5.337 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.608 1.544 -3.408 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.209 1.552 -2.783 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.584 0.842 -2.453 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.135 2.631 -1.701 1.00 0.16 C ATOM 0 H ILE A 101 -9.462 2.530 -5.386 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.073 -0.160 -4.619 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.947 2.566 -3.576 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.987 0.576 -2.353 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.458 1.740 -3.550 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.609 1.375 -1.502 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.582 0.836 -2.892 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.255 -0.184 -2.285 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.139 2.634 -1.258 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.338 3.606 -2.145 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.875 2.423 -0.928 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.615 1.670 -5.678 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.995 1.570 -6.229 1.00 0.20 C ATOM 1562 C ASN A 102 -13.962 0.681 -7.462 1.00 0.19 C ATOM 1563 O ASN A 102 -14.885 -0.048 -7.754 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.496 2.952 -6.639 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.943 2.847 -7.132 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.215 2.174 -8.108 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.882 3.512 -6.519 1.00 0.55 N ATOM 0 H ASN A 102 -12.235 2.616 -5.645 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.658 1.155 -5.470 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.438 3.637 -5.793 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.862 3.362 -7.425 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.843 3.467 -6.858 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.656 4.077 -5.700 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.901 0.768 -8.205 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.786 -0.035 -9.446 1.00 0.18 C ATOM 1576 C GLU A 103 -12.683 -1.518 -9.091 1.00 0.16 C ATOM 1577 O GLU A 103 -13.236 -2.368 -9.763 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.510 0.383 -10.177 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.491 -0.247 -11.576 1.00 0.21 C ATOM 1580 CD GLU A 103 -10.141 0.021 -12.243 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -9.183 0.265 -11.526 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -10.085 -0.029 -13.461 1.00 2.04 O ATOM 0 H GLU A 103 -12.101 1.367 -8.003 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.662 0.130 -10.074 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.462 1.469 -10.255 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.634 0.065 -9.612 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -11.666 -1.321 -11.504 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -12.296 0.167 -12.183 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.947 -1.835 -8.056 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.766 -3.265 -7.657 1.00 0.14 C ATOM 1591 C LEU A 104 -12.708 -3.651 -6.506 1.00 0.13 C ATOM 1592 O LEU A 104 -12.744 -4.794 -6.098 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.319 -3.473 -7.195 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.341 -3.214 -8.354 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.898 -3.388 -7.854 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.615 -4.195 -9.514 1.00 0.25 C ATOM 0 H LEU A 104 -11.460 -1.160 -7.466 1.00 0.14 H new ATOM 0 HA LEU A 104 -11.997 -3.891 -8.519 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.096 -2.802 -6.366 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.192 -4.490 -6.825 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.480 -2.196 -8.717 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.204 -3.205 -8.674 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.704 -2.679 -7.049 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.761 -4.404 -7.483 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.916 -4.001 -10.328 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.487 -5.219 -9.163 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.635 -4.059 -9.872 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.466 -2.733 -5.968 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.375 -3.113 -4.841 1.00 0.15 C ATOM 1610 C VAL A 105 -15.414 -4.114 -5.360 1.00 0.16 C ATOM 1611 O VAL A 105 -15.667 -5.087 -4.667 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.091 -1.863 -4.294 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.198 -1.416 -5.259 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.712 -2.177 -2.929 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.934 -3.892 -6.442 1.00 1.08 O ATOM 0 H VAL A 105 -13.498 -1.754 -6.251 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.791 -3.563 -4.038 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.359 -1.062 -4.192 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.695 -0.532 -4.859 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.761 -1.179 -6.229 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.925 -2.219 -5.375 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.217 -1.290 -2.546 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.433 -2.988 -3.035 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.928 -2.477 -2.233 1.00 0.19 H new TER 1625 VAL A 105 ATOM 1626 N PRO B 59 14.377 17.810 -13.526 1.00 1.11 N ATOM 1627 CA PRO B 59 14.355 16.331 -13.732 1.00 1.14 C ATOM 1628 C PRO B 59 13.878 15.577 -12.488 1.00 1.00 C ATOM 1629 O PRO B 59 13.284 14.522 -12.577 1.00 1.04 O ATOM 1630 CB PRO B 59 15.813 15.996 -14.067 1.00 1.33 C ATOM 1631 CG PRO B 59 16.350 17.238 -14.710 1.00 1.46 C ATOM 1632 CD PRO B 59 15.616 18.414 -14.051 1.00 1.26 C ATOM 0 HA PRO B 59 13.656 16.033 -14.514 1.00 1.14 H new ATOM 0 HB2 PRO B 59 16.376 15.739 -13.170 1.00 1.33 H new ATOM 0 HB3 PRO B 59 15.878 15.141 -14.740 1.00 1.33 H new ATOM 0 HG2 PRO B 59 17.427 17.319 -14.561 1.00 1.46 H new ATOM 0 HG3 PRO B 59 16.177 17.225 -15.786 1.00 1.46 H new ATOM 0 HD2 PRO B 59 16.211 18.861 -13.255 1.00 1.26 H new ATOM 0 HD3 PRO B 59 15.401 19.204 -14.770 1.00 1.26 H new ATOM 1640 N ALA B 60 14.125 16.119 -11.327 1.00 0.88 N ATOM 1641 CA ALA B 60 13.680 15.449 -10.071 1.00 0.76 C ATOM 1642 C ALA B 60 12.295 15.973 -9.679 1.00 0.61 C ATOM 1643 O ALA B 60 12.091 17.163 -9.543 1.00 0.61 O ATOM 1644 CB ALA B 60 14.674 15.771 -8.960 1.00 0.78 C ATOM 0 H ALA B 60 14.618 17.002 -11.193 1.00 0.88 H new ATOM 0 HA ALA B 60 13.631 14.371 -10.224 1.00 0.76 H new ATOM 0 HB1 ALA B 60 14.358 15.286 -8.037 1.00 0.78 H new ATOM 0 HB2 ALA B 60 15.663 15.408 -9.240 1.00 0.78 H new ATOM 0 HB3 ALA B 60 14.713 16.850 -8.808 1.00 0.78 H new ATOM 1650 N THR B 61 11.343 15.092 -9.499 1.00 0.54 N ATOM 1651 CA THR B 61 9.960 15.527 -9.121 1.00 0.44 C ATOM 1652 C THR B 61 9.734 15.272 -7.628 1.00 0.34 C ATOM 1653 O THR B 61 9.996 14.199 -7.119 1.00 0.32 O ATOM 1654 CB THR B 61 8.945 14.733 -9.948 1.00 0.51 C ATOM 1655 OG1 THR B 61 9.310 14.803 -11.319 1.00 0.70 O ATOM 1656 CG2 THR B 61 7.549 15.329 -9.767 1.00 0.47 C ATOM 0 H THR B 61 11.464 14.084 -9.598 1.00 0.54 H new ATOM 0 HA THR B 61 9.837 16.592 -9.320 1.00 0.44 H new ATOM 0 HB THR B 61 8.938 13.695 -9.616 1.00 0.51 H new ATOM 0 HG1 THR B 61 8.666 14.295 -11.855 1.00 0.70 H new ATOM 0 HG21 THR B 61 6.831 14.760 -10.358 1.00 0.47 H new ATOM 0 HG22 THR B 61 7.268 15.286 -8.715 1.00 0.47 H new ATOM 0 HG23 THR B 61 7.551 16.367 -10.099 1.00 0.47 H new ATOM 1664 N LEU B 62 9.261 16.261 -6.923 1.00 0.34 N ATOM 1665 CA LEU B 62 9.020 16.103 -5.462 1.00 0.32 C ATOM 1666 C LEU B 62 7.887 15.097 -5.231 1.00 0.23 C ATOM 1667 O LEU B 62 7.817 14.446 -4.208 1.00 0.25 O ATOM 1668 CB LEU B 62 8.627 17.457 -4.863 1.00 0.40 C ATOM 1669 CG LEU B 62 9.834 18.411 -4.866 1.00 0.50 C ATOM 1670 CD1 LEU B 62 9.365 19.816 -4.473 1.00 0.61 C ATOM 1671 CD2 LEU B 62 10.913 17.928 -3.874 1.00 0.55 C ATOM 0 H LEU B 62 9.029 17.180 -7.300 1.00 0.34 H new ATOM 0 HA LEU B 62 9.929 15.739 -4.983 1.00 0.32 H new ATOM 0 HB2 LEU B 62 7.809 17.893 -5.436 1.00 0.40 H new ATOM 0 HB3 LEU B 62 8.265 17.321 -3.844 1.00 0.40 H new ATOM 0 HG LEU B 62 10.268 18.429 -5.866 1.00 0.50 H new ATOM 0 HD11 LEU B 62 10.216 20.497 -4.473 1.00 0.61 H new ATOM 0 HD12 LEU B 62 8.621 20.165 -5.189 1.00 0.61 H new ATOM 0 HD13 LEU B 62 8.924 19.787 -3.477 1.00 0.61 H new ATOM 0 HD21 LEU B 62 11.758 18.617 -3.892 1.00 0.55 H new ATOM 0 HD22 LEU B 62 10.494 17.894 -2.868 1.00 0.55 H new ATOM 0 HD23 LEU B 62 11.251 16.932 -4.160 1.00 0.55 H new ATOM 1683 N LYS B 63 6.994 14.976 -6.171 1.00 0.19 N ATOM 1684 CA LYS B 63 5.856 14.024 -6.016 1.00 0.14 C ATOM 1685 C LYS B 63 6.391 12.598 -5.884 1.00 0.12 C ATOM 1686 O LYS B 63 5.683 11.704 -5.455 1.00 0.12 O ATOM 1687 CB LYS B 63 4.938 14.121 -7.242 1.00 0.17 C ATOM 1688 CG LYS B 63 4.379 15.544 -7.390 1.00 0.20 C ATOM 1689 CD LYS B 63 3.635 15.967 -6.116 1.00 0.40 C ATOM 1690 CE LYS B 63 2.701 17.134 -6.436 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.586 16.653 -7.296 1.00 1.31 N ATOM 0 H LYS B 63 7.002 15.498 -7.047 1.00 0.19 H new ATOM 0 HA LYS B 63 5.291 14.278 -5.119 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.492 13.847 -8.140 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.117 13.411 -7.145 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.193 16.241 -7.591 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.703 15.588 -8.244 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.063 15.128 -5.720 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.348 16.259 -5.345 1.00 0.40 H new ATOM 0 HE2 LYS B 63 2.306 17.561 -5.514 1.00 0.35 H new ATOM 0 HE3 LYS B 63 3.251 17.926 -6.944 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 0.740 17.233 -7.125 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.861 16.729 -8.296 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.376 15.660 -7.069 1.00 1.31 H new ATOM 1705 N ILE B 64 7.624 12.377 -6.284 1.00 0.11 N ATOM 1706 CA ILE B 64 8.238 11.004 -6.202 1.00 0.11 C ATOM 1707 C ILE B 64 9.599 11.070 -5.491 1.00 0.10 C ATOM 1708 O ILE B 64 10.379 11.970 -5.724 1.00 0.11 O ATOM 1709 CB ILE B 64 8.475 10.476 -7.626 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.133 10.225 -8.334 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.301 9.180 -7.586 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.264 9.237 -7.539 1.00 0.15 C ATOM 0 H ILE B 64 8.239 13.095 -6.668 1.00 0.11 H new ATOM 0 HA ILE B 64 7.563 10.351 -5.648 1.00 0.11 H new ATOM 0 HB ILE B 64 9.031 11.229 -8.185 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.600 11.168 -8.454 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.314 9.832 -9.334 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.460 8.819 -8.602 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.264 9.377 -7.116 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.765 8.424 -7.012 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.321 9.078 -8.063 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.789 8.287 -7.442 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.064 9.644 -6.548 1.00 0.15 H new ATOM 1724 N CYS B 65 9.914 10.103 -4.653 1.00 0.09 N ATOM 1725 CA CYS B 65 11.256 10.097 -3.985 1.00 0.10 C ATOM 1726 C CYS B 65 12.176 9.192 -4.820 1.00 0.10 C ATOM 1727 O CYS B 65 11.817 8.082 -5.158 1.00 0.11 O ATOM 1728 CB CYS B 65 11.184 9.542 -2.550 1.00 0.10 C ATOM 1729 SG CYS B 65 9.783 10.247 -1.644 1.00 0.19 S ATOM 0 H CYS B 65 9.303 9.325 -4.406 1.00 0.09 H new ATOM 0 HA CYS B 65 11.628 11.120 -3.923 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.091 8.456 -2.581 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.111 9.767 -2.023 1.00 0.10 H new ATOM 1734 N SER B 66 13.344 9.653 -5.176 1.00 0.12 N ATOM 1735 CA SER B 66 14.258 8.808 -6.012 1.00 0.14 C ATOM 1736 C SER B 66 14.969 7.748 -5.154 1.00 0.14 C ATOM 1737 O SER B 66 15.398 8.012 -4.046 1.00 0.15 O ATOM 1738 CB SER B 66 15.314 9.705 -6.654 1.00 0.18 C ATOM 1739 OG SER B 66 14.678 10.636 -7.519 1.00 0.20 O ATOM 0 H SER B 66 13.708 10.573 -4.928 1.00 0.12 H new ATOM 0 HA SER B 66 13.662 8.303 -6.772 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.876 10.233 -5.884 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.029 9.101 -7.213 1.00 0.18 H new ATOM 0 HG SER B 66 15.354 11.214 -7.931 1.00 0.20 H new ATOM 1745 N TRP B 67 15.127 6.549 -5.666 1.00 0.15 N ATOM 1746 CA TRP B 67 15.830 5.486 -4.884 1.00 0.16 C ATOM 1747 C TRP B 67 17.328 5.754 -4.920 1.00 0.19 C ATOM 1748 O TRP B 67 18.100 5.114 -4.237 1.00 0.21 O ATOM 1749 CB TRP B 67 15.548 4.092 -5.465 1.00 0.16 C ATOM 1750 CG TRP B 67 14.123 3.743 -5.200 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.070 4.484 -5.596 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.573 2.593 -4.491 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.911 3.873 -5.168 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.170 2.706 -4.480 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.148 1.479 -3.861 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.367 1.754 -3.863 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.341 0.513 -3.243 1.00 0.17 C ATOM 1758 CH2 TRP B 67 11.953 0.653 -3.241 1.00 0.16 C ATOM 0 H TRP B 67 14.800 6.263 -6.589 1.00 0.15 H new ATOM 0 HA TRP B 67 15.463 5.509 -3.858 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.746 4.082 -6.537 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.209 3.353 -5.012 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.125 5.405 -6.157 1.00 0.13 H new ATOM 0 HE1 TRP B 67 10.975 4.240 -5.339 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.222 1.364 -3.852 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.293 1.867 -3.866 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.796 -0.343 -2.767 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.334 -0.090 -2.759 1.00 0.16 H new ATOM 1769 N ASN B 68 17.752 6.692 -5.714 1.00 0.23 N ATOM 1770 CA ASN B 68 19.206 6.986 -5.782 1.00 0.27 C ATOM 1771 C ASN B 68 19.720 7.252 -4.367 1.00 0.26 C ATOM 1772 O ASN B 68 20.910 7.309 -4.127 1.00 0.30 O ATOM 1773 CB ASN B 68 19.431 8.226 -6.649 1.00 0.34 C ATOM 1774 CG ASN B 68 19.115 7.888 -8.109 1.00 0.40 C ATOM 1775 OD1 ASN B 68 18.576 6.734 -8.398 1.00 0.49 O flip ATOM 1776 ND2 ASN B 68 19.353 8.687 -8.994 1.00 0.40 N flip ATOM 0 H ASN B 68 17.159 7.265 -6.315 1.00 0.23 H new ATOM 0 HA ASN B 68 19.739 6.140 -6.217 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.795 9.043 -6.307 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.463 8.565 -6.558 1.00 0.34 H new ATOM 0 HD21 ASN B 68 19.774 9.588 -8.768 1.00 0.40 H new ATOM 0 HD22 ASN B 68 19.132 8.456 -9.963 1.00 0.40 H new ATOM 1783 N VAL B 69 18.829 7.420 -3.426 1.00 0.26 N ATOM 1784 CA VAL B 69 19.270 7.685 -2.028 1.00 0.33 C ATOM 1785 C VAL B 69 20.082 6.496 -1.512 1.00 0.41 C ATOM 1786 O VAL B 69 19.804 5.353 -1.823 1.00 0.49 O ATOM 1787 CB VAL B 69 18.045 7.904 -1.139 1.00 0.45 C ATOM 1788 CG1 VAL B 69 17.367 9.222 -1.509 1.00 0.99 C ATOM 1789 CG2 VAL B 69 17.046 6.769 -1.350 1.00 1.04 C ATOM 0 H VAL B 69 17.819 7.385 -3.565 1.00 0.26 H new ATOM 0 HA VAL B 69 19.893 8.579 -2.006 1.00 0.33 H new ATOM 0 HB VAL B 69 18.367 7.930 -0.098 1.00 0.45 H new ATOM 0 HG11 VAL B 69 16.495 9.374 -0.873 1.00 0.99 H new ATOM 0 HG12 VAL B 69 18.068 10.044 -1.366 1.00 0.99 H new ATOM 0 HG13 VAL B 69 17.054 9.190 -2.553 1.00 0.99 H new ATOM 0 HG21 VAL B 69 16.175 6.929 -0.715 1.00 1.04 H new ATOM 0 HG22 VAL B 69 16.735 6.748 -2.394 1.00 1.04 H new ATOM 0 HG23 VAL B 69 17.514 5.819 -1.091 1.00 1.04 H new ATOM 1799 N ASP B 70 21.091 6.757 -0.732 1.00 0.49 N ATOM 1800 CA ASP B 70 21.925 5.648 -0.202 1.00 0.64 C ATOM 1801 C ASP B 70 21.047 4.730 0.649 1.00 0.76 C ATOM 1802 O ASP B 70 21.192 3.525 0.639 1.00 0.90 O ATOM 1803 CB ASP B 70 23.032 6.231 0.672 1.00 0.74 C ATOM 1804 CG ASP B 70 24.041 6.972 -0.208 1.00 0.77 C ATOM 1805 OD1 ASP B 70 24.357 6.468 -1.271 1.00 1.32 O ATOM 1806 OD2 ASP B 70 24.472 8.038 0.194 1.00 1.36 O ATOM 0 H ASP B 70 21.374 7.692 -0.439 1.00 0.49 H new ATOM 0 HA ASP B 70 22.363 5.085 -1.026 1.00 0.64 H new ATOM 0 HB2 ASP B 70 22.607 6.912 1.409 1.00 0.74 H new ATOM 0 HB3 ASP B 70 23.531 5.435 1.224 1.00 0.74 H new ATOM 1811 N GLY B 71 20.137 5.296 1.391 1.00 0.77 N ATOM 1812 CA GLY B 71 19.250 4.459 2.246 1.00 0.96 C ATOM 1813 C GLY B 71 18.404 3.547 1.359 1.00 1.62 C ATOM 1814 O GLY B 71 17.862 2.586 1.877 1.00 2.29 O ATOM 1815 OXT GLY B 71 18.312 3.821 0.174 1.00 2.32 O ATOM 0 H GLY B 71 19.969 6.301 1.443 1.00 0.77 H new ATOM 0 HA2 GLY B 71 19.848 3.862 2.935 1.00 0.96 H new ATOM 0 HA3 GLY B 71 18.605 5.095 2.852 1.00 0.96 H new TER 1819 GLY B 71