USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 731 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 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0166 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.579 K(o=-0.58,f=-2.4!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0856 X(o=-0.086,f=-0.0032) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -2.02 X(o=-2,f=-2.3!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 124:sc= -5.28 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 27 SER OG : rot 24:sc= 0.023 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= -1.41 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 109 ASN : amide:sc= -0.637 X(o=-0.64,f=-0.85) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0392 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 26:sc= 0.123 USER MOD Single : A 123 GLN : amide:sc=-0.00732 X(o=-0.0073,f=-0.13) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -143:sc= 1.17 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 GLN :FLIP amide:sc= -3.1! C(o=-4!,f=-3.1!) USER MOD Single : A 141 LYS NZ :NH3+ 167:sc=-0.00722 (180deg=-0.143) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.4!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.283 14.178 -4.258 1.00 0.00 N ATOM 2 CA SER A 1 -3.201 12.731 -3.922 1.00 0.00 C ATOM 3 C SER A 1 -1.859 12.144 -4.343 1.00 0.00 C ATOM 4 O SER A 1 -1.697 11.688 -5.476 1.00 0.00 O ATOM 5 CB SER A 1 -4.346 12.001 -4.628 1.00 0.00 C ATOM 6 OG SER A 1 -5.374 11.661 -3.714 1.00 0.00 O ATOM 0 H1 SER A 1 -4.207 14.552 -3.960 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.526 14.692 -3.764 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.174 14.303 -5.285 1.00 0.00 H new ATOM 0 HA SER A 1 -3.288 12.607 -2.843 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.752 12.633 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.966 11.098 -5.105 1.00 0.00 H new ATOM 0 HG SER A 1 -6.094 11.197 -4.190 1.00 0.00 H new ATOM 14 N ILE A 2 -0.899 12.156 -3.425 1.00 0.00 N ATOM 15 CA ILE A 2 0.429 11.624 -3.699 1.00 0.00 C ATOM 16 C ILE A 2 0.501 10.137 -3.373 1.00 0.00 C ATOM 17 O ILE A 2 1.221 9.380 -4.023 1.00 0.00 O ATOM 18 CB ILE A 2 1.513 12.366 -2.892 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.301 13.878 -2.976 1.00 0.00 C ATOM 20 CG2 ILE A 2 2.899 11.991 -3.394 1.00 0.00 C ATOM 21 CD1 ILE A 2 2.076 14.653 -1.932 1.00 0.00 C ATOM 0 H ILE A 2 -1.017 12.529 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 2 0.614 11.773 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 2 1.433 12.066 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.595 14.224 -3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.239 14.095 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.653 12.523 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.048 10.917 -3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.991 12.264 -4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.879 15.719 -2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.765 14.334 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.142 14.465 -2.057 1.00 0.00 H new ATOM 33 N LYS A 3 -0.251 9.726 -2.358 1.00 0.00 N ATOM 34 CA LYS A 3 -0.276 8.328 -1.939 1.00 0.00 C ATOM 35 C LYS A 3 -1.705 7.798 -1.909 1.00 0.00 C ATOM 36 O LYS A 3 -2.613 8.462 -1.411 1.00 0.00 O ATOM 37 CB LYS A 3 0.368 8.176 -0.559 1.00 0.00 C ATOM 38 CG LYS A 3 1.345 7.017 -0.467 1.00 0.00 C ATOM 39 CD LYS A 3 2.660 7.339 -1.159 1.00 0.00 C ATOM 40 CE LYS A 3 3.560 6.116 -1.242 1.00 0.00 C ATOM 41 NZ LYS A 3 3.276 5.298 -2.454 1.00 0.00 N ATOM 0 H LYS A 3 -0.852 10.341 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 3 0.294 7.745 -2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.889 9.100 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.416 8.039 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.532 6.780 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.902 6.130 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.462 7.715 -2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.173 8.133 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.603 6.433 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.423 5.504 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.910 4.474 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.288 4.974 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.431 5.874 -3.306 1.00 0.00 H new ATOM 55 N ASN A 4 -1.899 6.599 -2.447 1.00 0.00 N ATOM 56 CA ASN A 4 -3.220 5.983 -2.480 1.00 0.00 C ATOM 57 C ASN A 4 -3.113 4.463 -2.542 1.00 0.00 C ATOM 58 O ASN A 4 -2.509 3.910 -3.461 1.00 0.00 O ATOM 59 CB ASN A 4 -4.016 6.501 -3.680 1.00 0.00 C ATOM 60 CG ASN A 4 -3.306 6.250 -4.995 1.00 0.00 C ATOM 61 OD1 ASN A 4 -2.141 6.608 -5.163 1.00 0.00 O ATOM 62 ND2 ASN A 4 -4.010 5.633 -5.938 1.00 0.00 N ATOM 0 H ASN A 4 -1.159 6.035 -2.866 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.742 6.253 -1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.993 6.019 -3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.191 7.571 -3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.587 5.438 -6.845 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.974 5.354 -5.754 1.00 0.00 H new ATOM 69 N GLY A 5 -3.705 3.794 -1.558 1.00 0.00 N ATOM 70 CA GLY A 5 -3.667 2.345 -1.518 1.00 0.00 C ATOM 71 C GLY A 5 -4.593 1.770 -0.466 1.00 0.00 C ATOM 72 O GLY A 5 -5.664 2.319 -0.205 1.00 0.00 O ATOM 0 H GLY A 5 -4.211 4.231 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.943 1.950 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.647 2.017 -1.318 1.00 0.00 H new ATOM 76 N ILE A 6 -4.182 0.663 0.142 1.00 0.00 N ATOM 77 CA ILE A 6 -4.981 0.013 1.173 1.00 0.00 C ATOM 78 C ILE A 6 -4.155 -0.227 2.433 1.00 0.00 C ATOM 79 O ILE A 6 -3.546 -1.284 2.596 1.00 0.00 O ATOM 80 CB ILE A 6 -5.554 -1.331 0.681 1.00 0.00 C ATOM 81 CG1 ILE A 6 -6.286 -1.140 -0.649 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.487 -1.928 1.723 1.00 0.00 C ATOM 83 CD1 ILE A 6 -5.359 -0.993 -1.835 1.00 0.00 C ATOM 0 H ILE A 6 -3.298 0.196 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.808 0.685 1.404 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.727 -2.024 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.945 -1.992 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.919 -0.255 -0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.881 -2.876 1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.938 -2.096 2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.312 -1.240 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.948 -0.861 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.717 -0.124 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.743 -1.887 -1.929 1.00 0.00 H new ATOM 95 N LEU A 7 -4.141 0.763 3.321 1.00 0.00 N ATOM 96 CA LEU A 7 -3.391 0.661 4.567 1.00 0.00 C ATOM 97 C LEU A 7 -4.237 0.013 5.658 1.00 0.00 C ATOM 98 O LEU A 7 -5.448 0.226 5.727 1.00 0.00 O ATOM 99 CB LEU A 7 -2.923 2.045 5.019 1.00 0.00 C ATOM 100 CG LEU A 7 -1.607 2.518 4.396 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.447 1.666 4.885 1.00 0.00 C ATOM 102 CD2 LEU A 7 -1.697 2.480 2.878 1.00 0.00 C ATOM 0 H LEU A 7 -4.640 1.644 3.200 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.519 0.032 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.701 2.771 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.813 2.039 6.103 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.428 3.548 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.479 2.018 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.371 1.742 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.616 0.626 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.754 2.819 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.899 1.460 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.503 3.134 2.545 1.00 0.00 H new ATOM 114 N TYR A 8 -3.592 -0.780 6.507 1.00 0.00 N ATOM 115 CA TYR A 8 -4.285 -1.460 7.595 1.00 0.00 C ATOM 116 C TYR A 8 -4.596 -0.494 8.734 1.00 0.00 C ATOM 117 O TYR A 8 -4.056 0.610 8.789 1.00 0.00 O ATOM 118 CB TYR A 8 -3.442 -2.627 8.113 1.00 0.00 C ATOM 119 CG TYR A 8 -3.478 -3.845 7.218 1.00 0.00 C ATOM 120 CD1 TYR A 8 -3.192 -3.742 5.863 1.00 0.00 C ATOM 121 CD2 TYR A 8 -3.799 -5.096 7.728 1.00 0.00 C ATOM 122 CE1 TYR A 8 -3.225 -4.853 5.040 1.00 0.00 C ATOM 123 CE2 TYR A 8 -3.834 -6.212 6.912 1.00 0.00 C ATOM 124 CZ TYR A 8 -3.545 -6.085 5.570 1.00 0.00 C ATOM 125 OH TYR A 8 -3.580 -7.193 4.755 1.00 0.00 O ATOM 0 H TYR A 8 -2.590 -0.968 6.463 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.227 -1.846 7.206 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.409 -2.297 8.222 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.794 -2.906 9.106 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.940 -2.779 5.445 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.025 -5.199 8.779 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.001 -4.756 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.086 -7.178 7.324 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.821 -7.981 5.285 1.00 0.00 H new ATOM 135 N LEU A 9 -5.470 -0.920 9.639 1.00 0.00 N ATOM 136 CA LEU A 9 -5.856 -0.095 10.780 1.00 0.00 C ATOM 137 C LEU A 9 -6.694 -0.897 11.770 1.00 0.00 C ATOM 138 O LEU A 9 -7.887 -1.113 11.557 1.00 0.00 O ATOM 139 CB LEU A 9 -6.638 1.133 10.306 1.00 0.00 C ATOM 140 CG LEU A 9 -6.361 2.419 11.087 1.00 0.00 C ATOM 141 CD1 LEU A 9 -6.428 3.627 10.167 1.00 0.00 C ATOM 142 CD2 LEU A 9 -7.347 2.566 12.236 1.00 0.00 C ATOM 0 H LEU A 9 -5.925 -1.832 9.605 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.948 0.235 11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.408 1.308 9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.704 0.912 10.367 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.355 2.360 11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.228 4.532 10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.683 3.525 9.378 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.421 3.691 9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.136 3.486 12.781 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.362 2.603 11.842 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.250 1.715 12.910 1.00 0.00 H new ATOM 154 N GLU A 10 -6.061 -1.340 12.852 1.00 0.00 N ATOM 155 CA GLU A 10 -6.751 -2.121 13.872 1.00 0.00 C ATOM 156 C GLU A 10 -7.582 -1.222 14.782 1.00 0.00 C ATOM 157 O GLU A 10 -7.395 -0.006 14.808 1.00 0.00 O ATOM 158 CB GLU A 10 -5.744 -2.917 14.704 1.00 0.00 C ATOM 159 CG GLU A 10 -4.825 -2.047 15.548 1.00 0.00 C ATOM 160 CD GLU A 10 -5.014 -2.268 17.036 1.00 0.00 C ATOM 161 OE1 GLU A 10 -5.397 -3.393 17.425 1.00 0.00 O ATOM 162 OE2 GLU A 10 -4.780 -1.320 17.813 1.00 0.00 O ATOM 0 H GLU A 10 -5.074 -1.172 13.045 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.424 -2.814 13.366 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.286 -3.600 15.359 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.138 -3.529 14.036 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.789 -2.256 15.283 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.009 -0.998 15.314 1.00 0.00 H new ATOM 169 N ASP A 11 -8.497 -1.831 15.530 1.00 0.00 N ATOM 170 CA ASP A 11 -9.355 -1.090 16.446 1.00 0.00 C ATOM 171 C ASP A 11 -9.275 -1.676 17.855 1.00 0.00 C ATOM 172 O ASP A 11 -9.372 -2.889 18.031 1.00 0.00 O ATOM 173 CB ASP A 11 -10.804 -1.116 15.952 1.00 0.00 C ATOM 174 CG ASP A 11 -11.509 0.210 16.163 1.00 0.00 C ATOM 175 OD1 ASP A 11 -10.828 1.255 16.138 1.00 0.00 O ATOM 176 OD2 ASP A 11 -12.744 0.202 16.350 1.00 0.00 O ATOM 0 H ASP A 11 -8.663 -2.837 15.519 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.008 -0.057 16.479 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.819 -1.368 14.892 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.349 -1.902 16.474 1.00 0.00 H new ATOM 181 N PRO A 12 -9.090 -0.826 18.882 1.00 0.00 N ATOM 182 CA PRO A 12 -8.994 -1.280 20.276 1.00 0.00 C ATOM 183 C PRO A 12 -10.238 -2.035 20.743 1.00 0.00 C ATOM 184 O PRO A 12 -10.210 -2.714 21.769 1.00 0.00 O ATOM 185 CB PRO A 12 -8.837 0.020 21.074 1.00 0.00 C ATOM 186 CG PRO A 12 -8.347 1.024 20.090 1.00 0.00 C ATOM 187 CD PRO A 12 -8.955 0.638 18.772 1.00 0.00 C ATOM 0 HA PRO A 12 -8.171 -1.982 20.406 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.785 0.329 21.514 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.131 -0.104 21.895 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.646 2.032 20.378 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.258 1.018 20.035 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.920 1.121 18.616 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.317 0.922 17.935 1.00 0.00 H new ATOM 195 N VAL A 13 -11.329 -1.910 19.992 1.00 0.00 N ATOM 196 CA VAL A 13 -12.575 -2.580 20.342 1.00 0.00 C ATOM 197 C VAL A 13 -12.459 -4.090 20.182 1.00 0.00 C ATOM 198 O VAL A 13 -12.924 -4.854 21.027 1.00 0.00 O ATOM 199 CB VAL A 13 -13.748 -2.075 19.480 1.00 0.00 C ATOM 200 CG1 VAL A 13 -15.067 -2.626 19.995 1.00 0.00 C ATOM 201 CG2 VAL A 13 -13.771 -0.553 19.449 1.00 0.00 C ATOM 0 H VAL A 13 -11.374 -1.352 19.139 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.771 -2.344 21.388 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.606 -2.434 18.461 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.883 -2.258 19.373 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.046 -3.715 19.958 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.220 -2.301 21.024 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.606 -0.214 18.836 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.887 -0.170 20.463 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.837 -0.184 19.026 1.00 0.00 H new ATOM 211 N ASN A 14 -11.835 -4.513 19.090 1.00 0.00 N ATOM 212 CA ASN A 14 -11.657 -5.934 18.812 1.00 0.00 C ATOM 213 C ASN A 14 -10.180 -6.323 18.820 1.00 0.00 C ATOM 214 O ASN A 14 -9.842 -7.504 18.894 1.00 0.00 O ATOM 215 CB ASN A 14 -12.282 -6.291 17.462 1.00 0.00 C ATOM 216 CG ASN A 14 -13.779 -6.521 17.560 1.00 0.00 C ATOM 217 OD1 ASN A 14 -14.269 -7.616 17.292 1.00 0.00 O ATOM 218 ND2 ASN A 14 -14.512 -5.484 17.946 1.00 0.00 N ATOM 0 H ASN A 14 -11.443 -3.893 18.381 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.159 -6.493 19.602 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.086 -5.489 16.751 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.804 -7.189 17.070 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.524 -5.578 18.030 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.063 -4.593 18.159 1.00 0.00 H new ATOM 225 N HIS A 15 -9.302 -5.326 18.742 1.00 0.00 N ATOM 226 CA HIS A 15 -7.865 -5.571 18.740 1.00 0.00 C ATOM 227 C HIS A 15 -7.456 -6.389 17.517 1.00 0.00 C ATOM 228 O HIS A 15 -6.649 -7.313 17.615 1.00 0.00 O ATOM 229 CB HIS A 15 -7.446 -6.296 20.023 1.00 0.00 C ATOM 230 CG HIS A 15 -6.968 -5.374 21.102 1.00 0.00 C ATOM 231 ND1 HIS A 15 -7.461 -5.403 22.388 1.00 0.00 N ATOM 232 CD2 HIS A 15 -6.032 -4.397 21.081 1.00 0.00 C ATOM 233 CE1 HIS A 15 -6.851 -4.482 23.112 1.00 0.00 C ATOM 234 NE2 HIS A 15 -5.979 -3.857 22.343 1.00 0.00 N ATOM 0 H HIS A 15 -9.562 -4.342 18.679 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.356 -4.608 18.697 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.292 -6.873 20.397 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.654 -7.007 19.787 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.437 -4.098 20.231 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.035 -4.275 24.156 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.366 -3.097 22.638 1.00 0.00 H new ATOM 243 N GLU A 16 -8.019 -6.040 16.365 1.00 0.00 N ATOM 244 CA GLU A 16 -7.714 -6.741 15.122 1.00 0.00 C ATOM 245 C GLU A 16 -7.516 -5.753 13.977 1.00 0.00 C ATOM 246 O GLU A 16 -8.297 -4.815 13.810 1.00 0.00 O ATOM 247 CB GLU A 16 -8.836 -7.725 14.779 1.00 0.00 C ATOM 248 CG GLU A 16 -8.414 -9.182 14.869 1.00 0.00 C ATOM 249 CD GLU A 16 -8.292 -9.839 13.509 1.00 0.00 C ATOM 250 OE1 GLU A 16 -7.542 -9.312 12.660 1.00 0.00 O ATOM 251 OE2 GLU A 16 -8.945 -10.883 13.291 1.00 0.00 O ATOM 0 H GLU A 16 -8.688 -5.277 16.266 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.786 -7.296 15.262 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.675 -7.556 15.454 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.192 -7.520 13.769 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.457 -9.248 15.387 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.140 -9.730 15.469 1.00 0.00 H new ATOM 258 N TRP A 17 -6.468 -5.970 13.190 1.00 0.00 N ATOM 259 CA TRP A 17 -6.167 -5.098 12.061 1.00 0.00 C ATOM 260 C TRP A 17 -7.258 -5.187 10.998 1.00 0.00 C ATOM 261 O TRP A 17 -7.709 -6.277 10.646 1.00 0.00 O ATOM 262 CB TRP A 17 -4.812 -5.467 11.452 1.00 0.00 C ATOM 263 CG TRP A 17 -3.682 -5.401 12.434 1.00 0.00 C ATOM 264 CD1 TRP A 17 -3.076 -6.452 13.060 1.00 0.00 C ATOM 265 CD2 TRP A 17 -3.023 -4.219 12.905 1.00 0.00 C ATOM 266 NE1 TRP A 17 -2.079 -5.997 13.890 1.00 0.00 N ATOM 267 CE2 TRP A 17 -2.027 -4.630 13.812 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.176 -2.854 12.646 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.191 -3.724 14.460 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.345 -1.956 13.291 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.364 -2.395 14.188 1.00 0.00 C ATOM 0 H TRP A 17 -5.813 -6.742 13.313 1.00 0.00 H new ATOM 0 HA TRP A 17 -6.126 -4.072 12.427 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.869 -6.475 11.041 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.601 -4.795 10.620 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.341 -7.490 12.923 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.476 -6.582 14.469 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.930 -2.507 11.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.433 -4.059 15.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.455 -0.899 13.099 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.730 -1.669 14.675 1.00 0.00 H new ATOM 282 N TYR A 18 -7.677 -4.033 10.489 1.00 0.00 N ATOM 283 CA TYR A 18 -8.714 -3.977 9.467 1.00 0.00 C ATOM 284 C TYR A 18 -8.191 -3.312 8.194 1.00 0.00 C ATOM 285 O TYR A 18 -8.037 -2.091 8.144 1.00 0.00 O ATOM 286 CB TYR A 18 -9.932 -3.213 9.990 1.00 0.00 C ATOM 287 CG TYR A 18 -10.835 -4.044 10.875 1.00 0.00 C ATOM 288 CD1 TYR A 18 -11.250 -5.310 10.481 1.00 0.00 C ATOM 289 CD2 TYR A 18 -11.271 -3.564 12.103 1.00 0.00 C ATOM 290 CE1 TYR A 18 -12.073 -6.074 11.287 1.00 0.00 C ATOM 291 CE2 TYR A 18 -12.093 -4.320 12.915 1.00 0.00 C ATOM 292 CZ TYR A 18 -12.493 -5.575 12.502 1.00 0.00 C ATOM 293 OH TYR A 18 -13.313 -6.332 13.306 1.00 0.00 O ATOM 0 H TYR A 18 -7.313 -3.122 10.769 1.00 0.00 H new ATOM 0 HA TYR A 18 -9.008 -4.999 9.227 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.591 -2.342 10.549 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.509 -2.842 9.143 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -10.924 -5.704 9.529 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -10.962 -2.582 12.429 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.386 -7.057 10.967 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.421 -3.932 13.868 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.516 -5.836 14.126 1.00 0.00 H new ATOM 303 N PRO A 19 -7.907 -4.105 7.143 1.00 0.00 N ATOM 304 CA PRO A 19 -7.395 -3.577 5.873 1.00 0.00 C ATOM 305 C PRO A 19 -8.426 -2.720 5.144 1.00 0.00 C ATOM 306 O PRO A 19 -9.404 -3.233 4.601 1.00 0.00 O ATOM 307 CB PRO A 19 -7.074 -4.833 5.060 1.00 0.00 C ATOM 308 CG PRO A 19 -7.934 -5.898 5.648 1.00 0.00 C ATOM 309 CD PRO A 19 -8.056 -5.572 7.109 1.00 0.00 C ATOM 0 HA PRO A 19 -6.536 -2.924 6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.294 -4.686 4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.018 -5.092 5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.913 -5.917 5.169 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.489 -6.883 5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.018 -5.888 7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.285 -6.068 7.698 1.00 0.00 H new ATOM 317 N HIS A 20 -8.195 -1.410 5.134 1.00 0.00 N ATOM 318 CA HIS A 20 -9.100 -0.479 4.469 1.00 0.00 C ATOM 319 C HIS A 20 -8.326 0.495 3.588 1.00 0.00 C ATOM 320 O HIS A 20 -7.133 0.718 3.792 1.00 0.00 O ATOM 321 CB HIS A 20 -9.920 0.295 5.504 1.00 0.00 C ATOM 322 CG HIS A 20 -10.902 -0.556 6.246 1.00 0.00 C ATOM 323 ND1 HIS A 20 -12.062 -1.040 5.677 1.00 0.00 N ATOM 324 CD2 HIS A 20 -10.895 -1.009 7.523 1.00 0.00 C ATOM 325 CE1 HIS A 20 -12.725 -1.752 6.571 1.00 0.00 C ATOM 326 NE2 HIS A 20 -12.038 -1.750 7.698 1.00 0.00 N ATOM 0 H HIS A 20 -7.389 -0.970 5.579 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.775 -1.056 3.837 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.242 0.760 6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.456 1.101 5.002 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -12.361 -0.874 4.716 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.133 -0.822 8.265 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.669 -2.251 6.407 1.00 0.00 H new ATOM 335 N TYR A 21 -9.012 1.076 2.609 1.00 0.00 N ATOM 336 CA TYR A 21 -8.388 2.028 1.700 1.00 0.00 C ATOM 337 C TYR A 21 -7.834 3.227 2.463 1.00 0.00 C ATOM 338 O TYR A 21 -8.343 3.591 3.522 1.00 0.00 O ATOM 339 CB TYR A 21 -9.398 2.497 0.649 1.00 0.00 C ATOM 340 CG TYR A 21 -8.865 2.457 -0.764 1.00 0.00 C ATOM 341 CD1 TYR A 21 -8.823 1.264 -1.478 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.404 3.610 -1.388 1.00 0.00 C ATOM 343 CE1 TYR A 21 -8.336 1.223 -2.771 1.00 0.00 C ATOM 344 CE2 TYR A 21 -7.917 3.577 -2.681 1.00 0.00 C ATOM 345 CZ TYR A 21 -7.884 2.381 -3.367 1.00 0.00 C ATOM 346 OH TYR A 21 -7.399 2.346 -4.655 1.00 0.00 O ATOM 0 H TYR A 21 -10.000 0.903 2.426 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.560 1.526 1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.289 1.872 0.710 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.706 3.516 0.883 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.177 0.355 -1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.427 4.548 -0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.310 0.288 -3.312 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.564 4.483 -3.152 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.123 3.247 -4.925 1.00 0.00 H new ATOM 356 N PHE A 22 -6.785 3.837 1.917 1.00 0.00 N ATOM 357 CA PHE A 22 -6.161 4.994 2.547 1.00 0.00 C ATOM 358 C PHE A 22 -5.446 5.855 1.511 1.00 0.00 C ATOM 359 O PHE A 22 -4.855 5.339 0.562 1.00 0.00 O ATOM 360 CB PHE A 22 -5.176 4.541 3.626 1.00 0.00 C ATOM 361 CG PHE A 22 -5.297 5.308 4.912 1.00 0.00 C ATOM 362 CD1 PHE A 22 -4.809 6.601 5.010 1.00 0.00 C ATOM 363 CD2 PHE A 22 -5.898 4.737 6.022 1.00 0.00 C ATOM 364 CE1 PHE A 22 -4.918 7.310 6.192 1.00 0.00 C ATOM 365 CE2 PHE A 22 -6.011 5.441 7.207 1.00 0.00 C ATOM 366 CZ PHE A 22 -5.520 6.728 7.291 1.00 0.00 C ATOM 0 H PHE A 22 -6.351 3.549 1.040 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.944 5.594 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.334 3.482 3.828 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.160 4.645 3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.338 7.060 4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.283 3.730 5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.533 8.317 6.256 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.482 4.985 8.065 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.606 7.280 8.215 1.00 0.00 H new ATOM 376 N VAL A 23 -5.506 7.171 1.695 1.00 0.00 N ATOM 377 CA VAL A 23 -4.867 8.102 0.773 1.00 0.00 C ATOM 378 C VAL A 23 -4.196 9.247 1.524 1.00 0.00 C ATOM 379 O VAL A 23 -4.686 9.692 2.562 1.00 0.00 O ATOM 380 CB VAL A 23 -5.882 8.685 -0.231 1.00 0.00 C ATOM 381 CG1 VAL A 23 -5.167 9.439 -1.341 1.00 0.00 C ATOM 382 CG2 VAL A 23 -6.760 7.583 -0.804 1.00 0.00 C ATOM 0 H VAL A 23 -5.991 7.616 2.474 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.111 7.537 0.227 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.523 9.390 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.901 9.842 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.588 10.256 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.499 8.760 -1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.470 8.014 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.136 6.851 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.304 7.094 0.004 1.00 0.00 H new ATOM 392 N LEU A 24 -3.075 9.722 0.991 1.00 0.00 N ATOM 393 CA LEU A 24 -2.338 10.818 1.610 1.00 0.00 C ATOM 394 C LEU A 24 -2.110 11.949 0.612 1.00 0.00 C ATOM 395 O LEU A 24 -1.420 11.776 -0.394 1.00 0.00 O ATOM 396 CB LEU A 24 -0.994 10.315 2.145 1.00 0.00 C ATOM 397 CG LEU A 24 -0.081 11.396 2.725 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.604 11.871 4.072 1.00 0.00 C ATOM 399 CD2 LEU A 24 1.343 10.875 2.857 1.00 0.00 C ATOM 0 H LEU A 24 -2.657 9.365 0.132 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.931 11.203 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.184 9.569 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.465 9.810 1.337 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.075 12.245 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.059 12.640 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.605 12.283 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.641 11.030 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.980 11.657 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.354 10.009 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.717 10.585 1.875 1.00 0.00 H new ATOM 411 N THR A 25 -2.696 13.108 0.895 1.00 0.00 N ATOM 412 CA THR A 25 -2.556 14.267 0.020 1.00 0.00 C ATOM 413 C THR A 25 -1.356 15.115 0.427 1.00 0.00 C ATOM 414 O THR A 25 -0.888 15.047 1.564 1.00 0.00 O ATOM 415 CB THR A 25 -3.831 15.114 0.048 1.00 0.00 C ATOM 416 OG1 THR A 25 -3.993 15.735 1.310 1.00 0.00 O ATOM 417 CG2 THR A 25 -5.085 14.316 -0.236 1.00 0.00 C ATOM 0 H THR A 25 -3.271 13.270 1.722 1.00 0.00 H new ATOM 0 HA THR A 25 -2.393 13.906 -0.995 1.00 0.00 H new ATOM 0 HB THR A 25 -3.704 15.854 -0.742 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.070 16.705 1.190 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.952 14.976 -0.201 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.013 13.864 -1.225 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.195 13.532 0.513 1.00 0.00 H new ATOM 425 N SER A 26 -0.861 15.911 -0.516 1.00 0.00 N ATOM 426 CA SER A 26 0.293 16.773 -0.272 1.00 0.00 C ATOM 427 C SER A 26 0.095 17.644 0.966 1.00 0.00 C ATOM 428 O SER A 26 1.066 18.093 1.577 1.00 0.00 O ATOM 429 CB SER A 26 0.554 17.659 -1.490 1.00 0.00 C ATOM 430 OG SER A 26 1.887 18.143 -1.492 1.00 0.00 O ATOM 0 H SER A 26 -1.242 15.978 -1.460 1.00 0.00 H new ATOM 0 HA SER A 26 1.154 16.129 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.368 17.092 -2.402 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.141 18.499 -1.489 1.00 0.00 H new ATOM 0 HG SER A 26 2.030 18.706 -2.282 1.00 0.00 H new ATOM 436 N SER A 27 -1.159 17.889 1.335 1.00 0.00 N ATOM 437 CA SER A 27 -1.456 18.716 2.500 1.00 0.00 C ATOM 438 C SER A 27 -2.675 18.196 3.257 1.00 0.00 C ATOM 439 O SER A 27 -3.457 18.979 3.798 1.00 0.00 O ATOM 440 CB SER A 27 -1.690 20.165 2.072 1.00 0.00 C ATOM 441 OG SER A 27 -0.469 20.881 2.006 1.00 0.00 O ATOM 0 H SER A 27 -1.980 17.530 0.848 1.00 0.00 H new ATOM 0 HA SER A 27 -0.597 18.670 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.180 20.185 1.099 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.363 20.652 2.778 1.00 0.00 H new ATOM 0 HG SER A 27 0.271 20.254 1.868 1.00 0.00 H new ATOM 447 N LYS A 28 -2.834 16.877 3.299 1.00 0.00 N ATOM 448 CA LYS A 28 -3.963 16.269 4.000 1.00 0.00 C ATOM 449 C LYS A 28 -3.952 14.750 3.856 1.00 0.00 C ATOM 450 O LYS A 28 -3.079 14.184 3.199 1.00 0.00 O ATOM 451 CB LYS A 28 -5.286 16.831 3.472 1.00 0.00 C ATOM 452 CG LYS A 28 -6.272 17.193 4.571 1.00 0.00 C ATOM 453 CD LYS A 28 -6.819 18.600 4.393 1.00 0.00 C ATOM 454 CE LYS A 28 -7.395 19.142 5.691 1.00 0.00 C ATOM 455 NZ LYS A 28 -7.668 20.605 5.610 1.00 0.00 N ATOM 0 H LYS A 28 -2.200 16.210 2.859 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.866 16.514 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.081 17.718 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.745 16.097 2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.096 16.479 4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.781 17.113 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.024 19.259 4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.592 18.597 3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.318 18.613 5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.698 18.947 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.060 20.936 6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.783 21.113 5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.352 20.789 4.849 1.00 0.00 H new ATOM 469 N ILE A 29 -4.933 14.100 4.474 1.00 0.00 N ATOM 470 CA ILE A 29 -5.049 12.647 4.418 1.00 0.00 C ATOM 471 C ILE A 29 -6.509 12.227 4.301 1.00 0.00 C ATOM 472 O ILE A 29 -7.359 12.687 5.064 1.00 0.00 O ATOM 473 CB ILE A 29 -4.432 11.974 5.664 1.00 0.00 C ATOM 474 CG1 ILE A 29 -3.251 12.795 6.193 1.00 0.00 C ATOM 475 CG2 ILE A 29 -3.994 10.555 5.331 1.00 0.00 C ATOM 476 CD1 ILE A 29 -2.524 12.140 7.350 1.00 0.00 C ATOM 0 H ILE A 29 -5.662 14.558 5.021 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.499 12.320 3.536 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.190 11.929 6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.544 12.964 5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.613 13.773 6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.561 10.091 6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.857 9.975 5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.250 10.581 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.701 12.779 7.671 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.216 11.996 8.180 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.131 11.174 7.033 1.00 0.00 H new ATOM 488 N TYR A 30 -6.798 11.354 3.340 1.00 0.00 N ATOM 489 CA TYR A 30 -8.161 10.881 3.127 1.00 0.00 C ATOM 490 C TYR A 30 -8.228 9.360 3.182 1.00 0.00 C ATOM 491 O TYR A 30 -7.407 8.670 2.578 1.00 0.00 O ATOM 492 CB TYR A 30 -8.689 11.378 1.778 1.00 0.00 C ATOM 493 CG TYR A 30 -8.906 12.873 1.728 1.00 0.00 C ATOM 494 CD1 TYR A 30 -7.844 13.740 1.500 1.00 0.00 C ATOM 495 CD2 TYR A 30 -10.171 13.417 1.908 1.00 0.00 C ATOM 496 CE1 TYR A 30 -8.039 15.108 1.454 1.00 0.00 C ATOM 497 CE2 TYR A 30 -10.373 14.784 1.863 1.00 0.00 C ATOM 498 CZ TYR A 30 -9.304 15.624 1.635 1.00 0.00 C ATOM 499 OH TYR A 30 -9.500 16.986 1.590 1.00 0.00 O ATOM 0 H TYR A 30 -6.109 10.961 2.699 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.785 11.281 3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.986 11.095 0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.631 10.875 1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.851 13.339 1.357 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.011 12.762 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.204 15.769 1.277 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.363 15.192 2.006 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.449 17.185 1.735 1.00 0.00 H new ATOM 509 N TYR A 31 -9.210 8.843 3.914 1.00 0.00 N ATOM 510 CA TYR A 31 -9.384 7.401 4.048 1.00 0.00 C ATOM 511 C TYR A 31 -10.825 7.058 4.411 1.00 0.00 C ATOM 512 O TYR A 31 -11.535 7.868 5.009 1.00 0.00 O ATOM 513 CB TYR A 31 -8.432 6.848 5.111 1.00 0.00 C ATOM 514 CG TYR A 31 -8.507 7.580 6.433 1.00 0.00 C ATOM 515 CD1 TYR A 31 -7.722 8.700 6.674 1.00 0.00 C ATOM 516 CD2 TYR A 31 -9.365 7.151 7.438 1.00 0.00 C ATOM 517 CE1 TYR A 31 -7.788 9.371 7.882 1.00 0.00 C ATOM 518 CE2 TYR A 31 -9.436 7.815 8.647 1.00 0.00 C ATOM 519 CZ TYR A 31 -8.646 8.924 8.863 1.00 0.00 C ATOM 520 OH TYR A 31 -8.713 9.589 10.066 1.00 0.00 O ATOM 0 H TYR A 31 -9.896 9.400 4.423 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.151 6.941 3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.658 5.794 5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.411 6.900 4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.049 9.053 5.906 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.987 6.284 7.271 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.171 10.240 8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.107 7.467 9.419 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.367 9.148 10.648 1.00 0.00 H new ATOM 530 N SER A 32 -11.251 5.855 4.043 1.00 0.00 N ATOM 531 CA SER A 32 -12.608 5.405 4.329 1.00 0.00 C ATOM 532 C SER A 32 -12.680 3.881 4.358 1.00 0.00 C ATOM 533 O SER A 32 -11.656 3.200 4.319 1.00 0.00 O ATOM 534 CB SER A 32 -13.580 5.953 3.283 1.00 0.00 C ATOM 535 OG SER A 32 -13.356 5.359 2.016 1.00 0.00 O ATOM 0 H SER A 32 -10.677 5.174 3.546 1.00 0.00 H new ATOM 0 HA SER A 32 -12.891 5.783 5.311 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.605 5.763 3.601 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.465 7.034 3.206 1.00 0.00 H new ATOM 0 HG SER A 32 -13.991 5.725 1.366 1.00 0.00 H new ATOM 1396 N GLY A 91 -13.144 10.181 5.805 1.00 0.00 N ATOM 1397 CA GLY A 91 -12.151 10.501 6.812 1.00 0.00 C ATOM 1398 C GLY A 91 -11.124 11.499 6.317 1.00 0.00 C ATOM 1399 O GLY A 91 -10.564 11.339 5.234 1.00 0.00 O ATOM 0 HA2 GLY A 91 -12.649 10.904 7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.645 9.587 7.122 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.877 12.536 7.114 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.911 13.564 6.751 1.00 0.00 C ATOM 1405 C VAL A 92 -8.917 13.807 7.883 1.00 0.00 C ATOM 1406 O VAL A 92 -9.278 13.770 9.059 1.00 0.00 O ATOM 1407 CB VAL A 92 -10.612 14.893 6.397 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -11.385 15.428 7.595 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -9.602 15.917 5.904 1.00 0.00 C ATOM 0 H VAL A 92 -11.333 12.685 8.014 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.375 13.202 5.874 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.322 14.702 5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.872 16.365 7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.139 14.701 7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.698 15.602 8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.116 16.847 5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.864 16.105 6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.101 15.535 5.015 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.662 14.052 7.520 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.615 14.298 8.505 1.00 0.00 C ATOM 1421 C LEU A 93 -5.578 15.279 7.965 1.00 0.00 C ATOM 1422 O LEU A 93 -5.270 15.277 6.774 1.00 0.00 O ATOM 1423 CB LEU A 93 -5.936 12.985 8.898 1.00 0.00 C ATOM 1424 CG LEU A 93 -5.488 12.899 10.358 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -6.672 12.593 11.261 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -4.403 11.846 10.520 1.00 0.00 C ATOM 0 H LEU A 93 -7.345 14.085 6.551 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.079 14.738 9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.623 12.164 8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.066 12.838 8.258 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.075 13.864 10.651 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.335 12.535 12.296 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.416 13.383 11.165 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.115 11.640 10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.096 11.798 11.565 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.789 10.875 10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.545 12.109 9.901 1.00 0.00 H new ATOM 1438 N ASP A 94 -5.043 16.114 8.850 1.00 0.00 N ATOM 1439 CA ASP A 94 -4.041 17.099 8.464 1.00 0.00 C ATOM 1440 C ASP A 94 -2.637 16.504 8.541 1.00 0.00 C ATOM 1441 O ASP A 94 -2.280 15.858 9.527 1.00 0.00 O ATOM 1442 CB ASP A 94 -4.138 18.335 9.362 1.00 0.00 C ATOM 1443 CG ASP A 94 -4.235 19.622 8.566 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -3.679 19.671 7.448 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -4.868 20.578 9.059 1.00 0.00 O ATOM 0 H ASP A 94 -5.287 16.127 9.840 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.234 17.394 7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.011 18.244 10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.264 18.378 10.012 1.00 0.00 H new ATOM 1450 N VAL A 95 -1.847 16.726 7.496 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.485 16.209 7.446 1.00 0.00 C ATOM 1452 C VAL A 95 0.489 17.114 8.202 1.00 0.00 C ATOM 1453 O VAL A 95 1.322 16.631 8.968 1.00 0.00 O ATOM 1454 CB VAL A 95 0.008 16.042 5.995 1.00 0.00 C ATOM 1455 CG1 VAL A 95 1.339 15.301 5.963 1.00 0.00 C ATOM 1456 CG2 VAL A 95 -1.034 15.317 5.158 1.00 0.00 C ATOM 0 H VAL A 95 -2.126 17.260 6.673 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.511 15.231 7.927 1.00 0.00 H new ATOM 0 HB VAL A 95 0.160 17.033 5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.671 15.193 4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.083 15.865 6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.217 14.314 6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.669 15.208 4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.221 14.331 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.960 15.891 5.153 1.00 0.00 H new ATOM 1466 N PRO A 96 0.404 18.444 8.001 1.00 0.00 N ATOM 1467 CA PRO A 96 1.290 19.403 8.669 1.00 0.00 C ATOM 1468 C PRO A 96 0.983 19.541 10.160 1.00 0.00 C ATOM 1469 O PRO A 96 0.744 20.644 10.655 1.00 0.00 O ATOM 1470 CB PRO A 96 1.017 20.731 7.939 1.00 0.00 C ATOM 1471 CG PRO A 96 0.199 20.372 6.742 1.00 0.00 C ATOM 1472 CD PRO A 96 -0.543 19.123 7.108 1.00 0.00 C ATOM 0 HA PRO A 96 2.332 19.086 8.620 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.483 21.430 8.583 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.948 21.216 7.646 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.492 21.175 6.486 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.833 20.208 5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.486 19.343 7.608 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.779 18.519 6.232 1.00 0.00 H new ATOM 1480 N ALA A 97 0.994 18.416 10.873 1.00 0.00 N ATOM 1481 CA ALA A 97 0.718 18.406 12.309 1.00 0.00 C ATOM 1482 C ALA A 97 0.525 16.979 12.816 1.00 0.00 C ATOM 1483 O ALA A 97 -0.353 16.714 13.637 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.508 19.254 12.630 1.00 0.00 C ATOM 0 H ALA A 97 1.192 17.497 10.478 1.00 0.00 H new ATOM 0 HA ALA A 97 1.579 18.838 12.819 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.695 19.232 13.704 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.332 20.282 12.313 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.375 18.855 12.103 1.00 0.00 H new ATOM 1490 N CYS A 98 1.348 16.061 12.319 1.00 0.00 N ATOM 1491 CA CYS A 98 1.262 14.661 12.721 1.00 0.00 C ATOM 1492 C CYS A 98 2.584 13.942 12.481 1.00 0.00 C ATOM 1493 O CYS A 98 2.876 13.512 11.364 1.00 0.00 O ATOM 1494 CB CYS A 98 0.137 13.959 11.955 1.00 0.00 C ATOM 1495 SG CYS A 98 -1.220 13.383 13.001 1.00 0.00 S ATOM 0 H CYS A 98 2.081 16.261 11.638 1.00 0.00 H new ATOM 0 HA CYS A 98 1.043 14.628 13.788 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.261 14.644 11.207 1.00 0.00 H new ATOM 0 HB3 CYS A 98 0.554 13.107 11.418 1.00 0.00 H new ATOM 0 HG CYS A 98 -2.122 12.806 12.263 1.00 0.00 H new ATOM 1501 N GLN A 99 3.383 13.809 13.535 1.00 0.00 N ATOM 1502 CA GLN A 99 4.673 13.139 13.436 1.00 0.00 C ATOM 1503 C GLN A 99 4.498 11.624 13.475 1.00 0.00 C ATOM 1504 O GLN A 99 3.827 11.088 14.356 1.00 0.00 O ATOM 1505 CB GLN A 99 5.598 13.590 14.569 1.00 0.00 C ATOM 1506 CG GLN A 99 5.153 13.116 15.943 1.00 0.00 C ATOM 1507 CD GLN A 99 6.057 13.615 17.053 1.00 0.00 C ATOM 1508 OE1 GLN A 99 5.815 14.670 17.638 1.00 0.00 O ATOM 1509 NE2 GLN A 99 7.106 12.858 17.348 1.00 0.00 N ATOM 0 H GLN A 99 3.159 14.157 14.467 1.00 0.00 H new ATOM 0 HA GLN A 99 5.126 13.412 12.483 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.604 13.219 14.374 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.654 14.679 14.570 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.134 13.457 16.128 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.133 12.026 15.958 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.269 11.990 16.837 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.750 13.144 18.086 1.00 0.00 H new ATOM 1518 N ILE A 100 5.108 10.939 12.515 1.00 0.00 N ATOM 1519 CA ILE A 100 5.020 9.485 12.438 1.00 0.00 C ATOM 1520 C ILE A 100 6.058 8.823 13.336 1.00 0.00 C ATOM 1521 O ILE A 100 7.073 9.427 13.681 1.00 0.00 O ATOM 1522 CB ILE A 100 5.216 8.984 10.995 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.430 9.857 10.014 1.00 0.00 C ATOM 1524 CG2 ILE A 100 4.794 7.526 10.879 1.00 0.00 C ATOM 1525 CD1 ILE A 100 2.930 9.727 10.155 1.00 0.00 C ATOM 0 H ILE A 100 5.669 11.367 11.779 1.00 0.00 H new ATOM 0 HA ILE A 100 4.021 9.212 12.777 1.00 0.00 H new ATOM 0 HB ILE A 100 6.274 9.055 10.742 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.711 10.900 10.163 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.715 9.592 8.996 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.938 7.186 9.853 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.399 6.918 11.551 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.742 7.429 11.149 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.439 10.374 9.428 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.636 8.693 9.977 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.632 10.021 11.162 1.00 0.00 H new ATOM 1537 N ALA A 101 5.796 7.576 13.709 1.00 0.00 N ATOM 1538 CA ALA A 101 6.707 6.825 14.566 1.00 0.00 C ATOM 1539 C ALA A 101 6.701 5.345 14.200 1.00 0.00 C ATOM 1540 O ALA A 101 5.931 4.562 14.755 1.00 0.00 O ATOM 1541 CB ALA A 101 6.330 7.012 16.028 1.00 0.00 C ATOM 0 H ALA A 101 4.959 7.063 13.431 1.00 0.00 H new ATOM 0 HA ALA A 101 7.716 7.208 14.412 1.00 0.00 H new ATOM 0 HB1 ALA A 101 7.018 6.446 16.656 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.389 8.069 16.286 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.313 6.655 16.190 1.00 0.00 H new ATOM 1547 N ILE A 102 7.562 4.969 13.259 1.00 0.00 N ATOM 1548 CA ILE A 102 7.651 3.582 12.817 1.00 0.00 C ATOM 1549 C ILE A 102 7.966 2.648 13.980 1.00 0.00 C ATOM 1550 O ILE A 102 8.732 2.991 14.882 1.00 0.00 O ATOM 1551 CB ILE A 102 8.725 3.400 11.723 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.394 4.264 10.504 1.00 0.00 C ATOM 1553 CG2 ILE A 102 8.840 1.932 11.323 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.483 4.270 9.454 1.00 0.00 C ATOM 0 H ILE A 102 8.207 5.604 12.789 1.00 0.00 H new ATOM 0 HA ILE A 102 6.676 3.326 12.403 1.00 0.00 H new ATOM 0 HB ILE A 102 9.686 3.721 12.125 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.469 3.904 10.054 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.212 5.287 10.833 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.602 1.824 10.551 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.119 1.338 12.194 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.882 1.584 10.938 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.180 4.902 8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.405 4.658 9.888 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.650 3.254 9.097 1.00 0.00 H new ATOM 1566 N ARG A 103 7.374 1.463 13.943 1.00 0.00 N ATOM 1567 CA ARG A 103 7.589 0.462 14.976 1.00 0.00 C ATOM 1568 C ARG A 103 7.884 -0.895 14.338 1.00 0.00 C ATOM 1569 O ARG A 103 7.112 -1.374 13.508 1.00 0.00 O ATOM 1570 CB ARG A 103 6.360 0.359 15.882 1.00 0.00 C ATOM 1571 CG ARG A 103 6.513 1.103 17.199 1.00 0.00 C ATOM 1572 CD ARG A 103 5.464 0.665 18.210 1.00 0.00 C ATOM 1573 NE ARG A 103 5.865 0.968 19.581 1.00 0.00 N ATOM 1574 CZ ARG A 103 6.718 0.227 20.285 1.00 0.00 C ATOM 1575 NH1 ARG A 103 7.264 -0.859 19.750 1.00 0.00 N ATOM 1576 NH2 ARG A 103 7.026 0.572 21.528 1.00 0.00 N ATOM 0 H ARG A 103 6.736 1.171 13.202 1.00 0.00 H new ATOM 0 HA ARG A 103 8.444 0.763 15.581 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.493 0.752 15.351 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.158 -0.692 16.089 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.509 0.925 17.605 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.427 2.176 17.025 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.519 1.162 17.990 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.291 -0.407 18.111 1.00 0.00 H new ATOM 0 HE ARG A 103 5.468 1.796 20.025 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.030 -1.129 18.795 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.917 -1.423 20.294 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.609 1.405 21.944 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.679 0.005 22.068 1.00 0.00 H new ATOM 1590 N PRO A 104 9.009 -1.532 14.706 1.00 0.00 N ATOM 1591 CA PRO A 104 9.393 -2.830 14.149 1.00 0.00 C ATOM 1592 C PRO A 104 8.697 -4.004 14.838 1.00 0.00 C ATOM 1593 O PRO A 104 9.200 -5.126 14.824 1.00 0.00 O ATOM 1594 CB PRO A 104 10.896 -2.873 14.410 1.00 0.00 C ATOM 1595 CG PRO A 104 11.076 -2.100 15.672 1.00 0.00 C ATOM 1596 CD PRO A 104 10.004 -1.038 15.681 1.00 0.00 C ATOM 0 HA PRO A 104 9.113 -2.925 13.100 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.251 -3.898 14.518 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.455 -2.427 13.588 1.00 0.00 H new ATOM 0 HG2 PRO A 104 10.985 -2.751 16.542 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.068 -1.650 15.713 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.567 -0.919 16.673 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.402 -0.066 15.389 1.00 0.00 H new ATOM 1604 N GLU A 105 7.540 -3.739 15.438 1.00 0.00 N ATOM 1605 CA GLU A 105 6.780 -4.776 16.128 1.00 0.00 C ATOM 1606 C GLU A 105 5.462 -4.214 16.653 1.00 0.00 C ATOM 1607 O GLU A 105 5.307 -3.978 17.851 1.00 0.00 O ATOM 1608 CB GLU A 105 7.604 -5.358 17.280 1.00 0.00 C ATOM 1609 CG GLU A 105 8.122 -6.762 17.007 1.00 0.00 C ATOM 1610 CD GLU A 105 9.628 -6.867 17.146 1.00 0.00 C ATOM 1611 OE1 GLU A 105 10.316 -5.847 16.934 1.00 0.00 O ATOM 1612 OE2 GLU A 105 10.120 -7.969 17.466 1.00 0.00 O ATOM 0 H GLU A 105 7.108 -2.815 15.460 1.00 0.00 H new ATOM 0 HA GLU A 105 6.558 -5.572 15.418 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.450 -4.700 17.480 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.992 -5.374 18.182 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.648 -7.460 17.697 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.832 -7.062 16.000 1.00 0.00 H new ATOM 1619 N GLY A 106 4.515 -4.001 15.744 1.00 0.00 N ATOM 1620 CA GLY A 106 3.222 -3.465 16.127 1.00 0.00 C ATOM 1621 C GLY A 106 2.551 -4.279 17.218 1.00 0.00 C ATOM 1622 O GLY A 106 2.794 -4.057 18.405 1.00 0.00 O ATOM 0 H GLY A 106 4.621 -4.191 14.747 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.346 -2.438 16.470 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.573 -3.433 15.252 1.00 0.00 H new ATOM 1626 N LYS A 107 1.705 -5.221 16.817 1.00 0.00 N ATOM 1627 CA LYS A 107 0.997 -6.069 17.769 1.00 0.00 C ATOM 1628 C LYS A 107 0.088 -7.060 17.050 1.00 0.00 C ATOM 1629 O LYS A 107 -0.096 -6.982 15.836 1.00 0.00 O ATOM 1630 CB LYS A 107 0.171 -5.212 18.732 1.00 0.00 C ATOM 1631 CG LYS A 107 -0.761 -4.237 18.031 1.00 0.00 C ATOM 1632 CD LYS A 107 -1.920 -3.831 18.929 1.00 0.00 C ATOM 1633 CE LYS A 107 -1.498 -2.783 19.948 1.00 0.00 C ATOM 1634 NZ LYS A 107 -1.620 -3.286 21.344 1.00 0.00 N ATOM 0 H LYS A 107 1.493 -5.417 15.839 1.00 0.00 H new ATOM 0 HA LYS A 107 1.740 -6.631 18.335 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.418 -5.867 19.374 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.847 -4.654 19.380 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.203 -3.350 17.732 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.148 -4.693 17.120 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.734 -3.439 18.319 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.305 -4.709 19.447 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.467 -2.486 19.758 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.113 -1.891 19.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.323 -2.543 22.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.609 -3.546 21.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.013 -4.122 21.466 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.480 -7.991 17.812 1.00 0.00 N ATOM 1649 CA ASN A 108 -1.374 -9.001 17.255 1.00 0.00 C ATOM 1650 C ASN A 108 -0.650 -9.875 16.236 1.00 0.00 C ATOM 1651 O ASN A 108 -0.203 -10.976 16.555 1.00 0.00 O ATOM 1652 CB ASN A 108 -2.593 -8.335 16.611 1.00 0.00 C ATOM 1653 CG ASN A 108 -3.581 -7.818 17.637 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -4.248 -8.596 18.320 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -3.680 -6.499 17.751 1.00 0.00 N ATOM 0 H ASN A 108 -0.336 -8.067 18.819 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.710 -9.641 18.071 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.262 -7.509 15.982 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -3.093 -9.052 15.959 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.329 -6.093 18.425 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.108 -5.892 17.164 1.00 0.00 H new ATOM 1662 N ASN A 109 -0.541 -9.378 15.008 1.00 0.00 N ATOM 1663 CA ASN A 109 0.127 -10.117 13.943 1.00 0.00 C ATOM 1664 C ASN A 109 0.706 -9.166 12.899 1.00 0.00 C ATOM 1665 O ASN A 109 0.597 -9.405 11.696 1.00 0.00 O ATOM 1666 CB ASN A 109 -0.852 -11.088 13.280 1.00 0.00 C ATOM 1667 CG ASN A 109 -1.149 -12.293 14.149 1.00 0.00 C ATOM 1668 OD1 ASN A 109 -0.239 -12.990 14.596 1.00 0.00 O ATOM 1669 ND2 ASN A 109 -2.430 -12.545 14.394 1.00 0.00 N ATOM 0 H ASN A 109 -0.906 -8.468 14.726 1.00 0.00 H new ATOM 0 HA ASN A 109 0.947 -10.682 14.385 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -1.783 -10.566 13.058 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.439 -11.423 12.328 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -2.691 -13.343 14.973 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.153 -11.941 14.003 1.00 0.00 H new ATOM 1676 N ARG A 110 1.324 -8.086 13.367 1.00 0.00 N ATOM 1677 CA ARG A 110 1.922 -7.100 12.475 1.00 0.00 C ATOM 1678 C ARG A 110 3.306 -6.689 12.967 1.00 0.00 C ATOM 1679 O ARG A 110 3.435 -5.993 13.974 1.00 0.00 O ATOM 1680 CB ARG A 110 1.021 -5.869 12.362 1.00 0.00 C ATOM 1681 CG ARG A 110 -0.102 -6.027 11.351 1.00 0.00 C ATOM 1682 CD ARG A 110 0.122 -5.157 10.124 1.00 0.00 C ATOM 1683 NE ARG A 110 1.164 -5.696 9.254 1.00 0.00 N ATOM 1684 CZ ARG A 110 1.385 -5.271 8.011 1.00 0.00 C ATOM 1685 NH1 ARG A 110 0.639 -4.304 7.491 1.00 0.00 N ATOM 1686 NH2 ARG A 110 2.354 -5.815 7.288 1.00 0.00 N ATOM 0 H ARG A 110 1.424 -7.872 14.359 1.00 0.00 H new ATOM 0 HA ARG A 110 2.027 -7.555 11.490 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.590 -5.653 13.340 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.629 -5.008 12.085 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.175 -7.072 11.048 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.051 -5.763 11.817 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.810 -5.073 9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.397 -4.150 10.439 1.00 0.00 H new ATOM 0 HE ARG A 110 1.757 -6.441 9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.108 -3.883 8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.812 -3.982 6.539 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.930 -6.558 7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.524 -5.490 6.336 1.00 0.00 H new ATOM 1700 N LEU A 111 4.337 -7.125 12.252 1.00 0.00 N ATOM 1701 CA LEU A 111 5.712 -6.805 12.618 1.00 0.00 C ATOM 1702 C LEU A 111 6.069 -5.383 12.195 1.00 0.00 C ATOM 1703 O LEU A 111 6.844 -4.702 12.869 1.00 0.00 O ATOM 1704 CB LEU A 111 6.679 -7.799 11.973 1.00 0.00 C ATOM 1705 CG LEU A 111 6.245 -9.264 12.040 1.00 0.00 C ATOM 1706 CD1 LEU A 111 6.709 -10.016 10.802 1.00 0.00 C ATOM 1707 CD2 LEU A 111 6.785 -9.922 13.301 1.00 0.00 C ATOM 0 H LEU A 111 4.247 -7.701 11.415 1.00 0.00 H new ATOM 0 HA LEU A 111 5.799 -6.876 13.702 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.814 -7.524 10.927 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.651 -7.702 12.456 1.00 0.00 H new ATOM 0 HG LEU A 111 5.156 -9.300 12.073 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.391 -11.056 10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.273 -9.559 9.914 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.796 -9.972 10.736 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.467 -10.964 13.333 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.874 -9.875 13.298 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.402 -9.399 14.177 1.00 0.00 H new ATOM 1719 N PHE A 112 5.505 -4.943 11.077 1.00 0.00 N ATOM 1720 CA PHE A 112 5.767 -3.603 10.564 1.00 0.00 C ATOM 1721 C PHE A 112 4.546 -2.706 10.732 1.00 0.00 C ATOM 1722 O PHE A 112 3.500 -2.944 10.127 1.00 0.00 O ATOM 1723 CB PHE A 112 6.168 -3.668 9.089 1.00 0.00 C ATOM 1724 CG PHE A 112 7.593 -4.088 8.874 1.00 0.00 C ATOM 1725 CD1 PHE A 112 7.960 -5.420 8.980 1.00 0.00 C ATOM 1726 CD2 PHE A 112 8.566 -3.152 8.565 1.00 0.00 C ATOM 1727 CE1 PHE A 112 9.271 -5.811 8.783 1.00 0.00 C ATOM 1728 CE2 PHE A 112 9.880 -3.536 8.367 1.00 0.00 C ATOM 1729 CZ PHE A 112 10.231 -4.867 8.476 1.00 0.00 C ATOM 0 H PHE A 112 4.863 -5.494 10.508 1.00 0.00 H new ATOM 0 HA PHE A 112 6.589 -3.176 11.139 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.510 -4.366 8.572 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.014 -2.689 8.635 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.212 -6.162 9.219 1.00 0.00 H new ATOM 0 HD2 PHE A 112 8.296 -2.110 8.478 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.544 -6.852 8.869 1.00 0.00 H new ATOM 0 HE2 PHE A 112 10.630 -2.796 8.128 1.00 0.00 H new ATOM 0 HZ PHE A 112 11.256 -5.170 8.321 1.00 0.00 H new ATOM 1739 N VAL A 113 4.687 -1.673 11.556 1.00 0.00 N ATOM 1740 CA VAL A 113 3.597 -0.737 11.805 1.00 0.00 C ATOM 1741 C VAL A 113 4.133 0.634 12.201 1.00 0.00 C ATOM 1742 O VAL A 113 5.107 0.737 12.949 1.00 0.00 O ATOM 1743 CB VAL A 113 2.658 -1.246 12.915 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.421 -0.367 13.015 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.270 -2.697 12.665 1.00 0.00 C ATOM 0 H VAL A 113 5.547 -1.463 12.063 1.00 0.00 H new ATOM 0 HA VAL A 113 3.035 -0.653 10.875 1.00 0.00 H new ATOM 0 HB VAL A 113 3.190 -1.194 13.865 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.770 -0.743 13.805 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.719 0.656 13.247 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.886 -0.383 12.066 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.607 -3.038 13.460 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.758 -2.777 11.706 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.167 -3.316 12.650 1.00 0.00 H new ATOM 1755 N PHE A 114 3.494 1.684 11.697 1.00 0.00 N ATOM 1756 CA PHE A 114 3.909 3.048 12.003 1.00 0.00 C ATOM 1757 C PHE A 114 2.783 3.817 12.687 1.00 0.00 C ATOM 1758 O PHE A 114 1.730 4.056 12.095 1.00 0.00 O ATOM 1759 CB PHE A 114 4.341 3.775 10.728 1.00 0.00 C ATOM 1760 CG PHE A 114 3.269 3.832 9.676 1.00 0.00 C ATOM 1761 CD1 PHE A 114 2.985 2.721 8.897 1.00 0.00 C ATOM 1762 CD2 PHE A 114 2.549 4.997 9.464 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.000 2.773 7.927 1.00 0.00 C ATOM 1764 CE2 PHE A 114 1.565 5.054 8.497 1.00 0.00 C ATOM 1765 CZ PHE A 114 1.291 3.940 7.727 1.00 0.00 C ATOM 0 H PHE A 114 2.688 1.617 11.076 1.00 0.00 H new ATOM 0 HA PHE A 114 4.758 2.998 12.685 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.642 4.791 10.983 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.218 3.277 10.315 1.00 0.00 H new ATOM 0 HD1 PHE A 114 3.538 1.806 9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 114 2.760 5.871 10.062 1.00 0.00 H new ATOM 0 HE1 PHE A 114 1.786 1.901 7.327 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.010 5.968 8.343 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.523 3.982 6.969 1.00 0.00 H new ATOM 1775 N SER A 115 3.012 4.198 13.938 1.00 0.00 N ATOM 1776 CA SER A 115 2.017 4.937 14.706 1.00 0.00 C ATOM 1777 C SER A 115 2.242 6.440 14.588 1.00 0.00 C ATOM 1778 O SER A 115 3.335 6.939 14.858 1.00 0.00 O ATOM 1779 CB SER A 115 2.064 4.518 16.177 1.00 0.00 C ATOM 1780 OG SER A 115 3.397 4.276 16.596 1.00 0.00 O ATOM 0 H SER A 115 3.878 4.008 14.442 1.00 0.00 H new ATOM 0 HA SER A 115 1.034 4.702 14.298 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.621 5.299 16.795 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.465 3.619 16.322 1.00 0.00 H new ATOM 0 HG SER A 115 3.400 4.011 17.540 1.00 0.00 H new ATOM 1786 N ILE A 116 1.199 7.158 14.185 1.00 0.00 N ATOM 1787 CA ILE A 116 1.277 8.605 14.034 1.00 0.00 C ATOM 1788 C ILE A 116 0.848 9.310 15.316 1.00 0.00 C ATOM 1789 O ILE A 116 0.165 8.725 16.157 1.00 0.00 O ATOM 1790 CB ILE A 116 0.394 9.098 12.871 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.623 8.240 11.625 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.679 10.562 12.574 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.457 7.204 11.398 1.00 0.00 C ATOM 0 H ILE A 116 0.288 6.760 13.957 1.00 0.00 H new ATOM 0 HA ILE A 116 2.317 8.847 13.816 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.652 9.004 13.164 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.681 8.890 10.752 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.586 7.736 11.712 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.048 10.896 11.750 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.467 11.161 13.460 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.727 10.680 12.299 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.230 6.633 10.498 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.501 6.530 12.254 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -1.419 7.702 11.278 1.00 0.00 H new ATOM 1805 N SER A 117 1.252 10.567 15.460 1.00 0.00 N ATOM 1806 CA SER A 117 0.906 11.346 16.644 1.00 0.00 C ATOM 1807 C SER A 117 1.005 12.842 16.361 1.00 0.00 C ATOM 1808 O SER A 117 1.683 13.264 15.424 1.00 0.00 O ATOM 1809 CB SER A 117 1.825 10.975 17.810 1.00 0.00 C ATOM 1810 OG SER A 117 3.186 11.026 17.424 1.00 0.00 O ATOM 0 H SER A 117 1.818 11.067 14.774 1.00 0.00 H new ATOM 0 HA SER A 117 -0.124 11.113 16.912 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.654 11.657 18.643 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.582 9.973 18.164 1.00 0.00 H new ATOM 0 HG SER A 117 3.752 10.786 18.187 1.00 0.00 H new ATOM 1816 N MET A 118 0.322 13.638 17.177 1.00 0.00 N ATOM 1817 CA MET A 118 0.331 15.088 17.017 1.00 0.00 C ATOM 1818 C MET A 118 1.101 15.753 18.157 1.00 0.00 C ATOM 1819 O MET A 118 1.226 15.188 19.244 1.00 0.00 O ATOM 1820 CB MET A 118 -1.102 15.623 16.972 1.00 0.00 C ATOM 1821 CG MET A 118 -1.936 15.035 15.846 1.00 0.00 C ATOM 1822 SD MET A 118 -3.596 15.734 15.774 1.00 0.00 S ATOM 1823 CE MET A 118 -3.414 16.898 14.425 1.00 0.00 C ATOM 0 H MET A 118 -0.245 13.304 17.956 1.00 0.00 H new ATOM 0 HA MET A 118 0.830 15.326 16.077 1.00 0.00 H new ATOM 0 HB2 MET A 118 -1.590 15.411 17.923 1.00 0.00 H new ATOM 0 HB3 MET A 118 -1.073 16.707 16.863 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.431 15.209 14.896 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.006 13.955 15.977 1.00 0.00 H new ATOM 0 HE1 MET A 118 -4.361 17.412 14.258 1.00 0.00 H new ATOM 0 HE2 MET A 118 -2.644 17.628 14.676 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.126 16.364 13.520 1.00 0.00 H new ATOM 1833 N PRO A 119 1.628 16.966 17.924 1.00 0.00 N ATOM 1834 CA PRO A 119 2.390 17.703 18.938 1.00 0.00 C ATOM 1835 C PRO A 119 1.531 18.106 20.130 1.00 0.00 C ATOM 1836 O PRO A 119 2.020 18.199 21.257 1.00 0.00 O ATOM 1837 CB PRO A 119 2.883 18.946 18.190 1.00 0.00 C ATOM 1838 CG PRO A 119 1.944 19.104 17.045 1.00 0.00 C ATOM 1839 CD PRO A 119 1.530 17.713 16.656 1.00 0.00 C ATOM 0 HA PRO A 119 3.194 17.098 19.357 1.00 0.00 H new ATOM 0 HB2 PRO A 119 2.871 19.825 18.834 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.909 18.818 17.844 1.00 0.00 H new ATOM 0 HG2 PRO A 119 1.079 19.704 17.329 1.00 0.00 H new ATOM 0 HG3 PRO A 119 2.427 19.615 16.212 1.00 0.00 H new ATOM 0 HD2 PRO A 119 0.517 17.692 16.253 1.00 0.00 H new ATOM 0 HD3 PRO A 119 2.186 17.297 15.891 1.00 0.00 H new ATOM 1847 N SER A 120 0.247 18.345 19.879 1.00 0.00 N ATOM 1848 CA SER A 120 -0.679 18.738 20.936 1.00 0.00 C ATOM 1849 C SER A 120 -2.091 18.921 20.389 1.00 0.00 C ATOM 1850 O SER A 120 -2.298 19.619 19.396 1.00 0.00 O ATOM 1851 CB SER A 120 -0.209 20.033 21.601 1.00 0.00 C ATOM 1852 OG SER A 120 -0.123 21.089 20.660 1.00 0.00 O ATOM 0 H SER A 120 -0.176 18.273 18.953 1.00 0.00 H new ATOM 0 HA SER A 120 -0.697 17.940 21.678 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.900 20.308 22.398 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.765 19.875 22.064 1.00 0.00 H new ATOM 0 HG SER A 120 -0.746 20.921 19.922 1.00 0.00 H new ATOM 1858 N VAL A 121 -3.062 18.292 21.046 1.00 0.00 N ATOM 1859 CA VAL A 121 -4.456 18.386 20.632 1.00 0.00 C ATOM 1860 C VAL A 121 -5.383 17.844 21.719 1.00 0.00 C ATOM 1861 O VAL A 121 -5.959 18.608 22.494 1.00 0.00 O ATOM 1862 CB VAL A 121 -4.705 17.636 19.295 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -3.825 16.398 19.184 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -6.176 17.273 19.128 1.00 0.00 C ATOM 0 H VAL A 121 -2.907 17.710 21.869 1.00 0.00 H new ATOM 0 HA VAL A 121 -4.678 19.441 20.474 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.434 18.314 18.486 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.023 15.895 18.237 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.776 16.692 19.227 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.045 15.720 20.008 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.316 16.749 18.182 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -6.487 16.628 19.950 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -6.778 18.182 19.132 1.00 0.00 H new ATOM 1874 N ALA A 122 -5.520 16.526 21.770 1.00 0.00 N ATOM 1875 CA ALA A 122 -6.374 15.881 22.761 1.00 0.00 C ATOM 1876 C ALA A 122 -5.929 14.446 23.021 1.00 0.00 C ATOM 1877 O ALA A 122 -6.755 13.556 23.218 1.00 0.00 O ATOM 1878 CB ALA A 122 -7.826 15.913 22.306 1.00 0.00 C ATOM 0 H ALA A 122 -5.050 15.880 21.136 1.00 0.00 H new ATOM 0 HA ALA A 122 -6.285 16.434 23.696 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -8.453 15.428 23.055 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.145 16.948 22.180 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -7.922 15.386 21.357 1.00 0.00 H new ATOM 1884 N GLN A 123 -4.618 14.230 23.020 1.00 0.00 N ATOM 1885 CA GLN A 123 -4.061 12.902 23.256 1.00 0.00 C ATOM 1886 C GLN A 123 -4.530 11.918 22.187 1.00 0.00 C ATOM 1887 O GLN A 123 -4.912 10.788 22.493 1.00 0.00 O ATOM 1888 CB GLN A 123 -4.462 12.399 24.644 1.00 0.00 C ATOM 1889 CG GLN A 123 -4.020 13.313 25.775 1.00 0.00 C ATOM 1890 CD GLN A 123 -3.195 12.591 26.823 1.00 0.00 C ATOM 1891 OE1 GLN A 123 -3.542 11.492 27.255 1.00 0.00 O ATOM 1892 NE2 GLN A 123 -2.095 13.209 27.237 1.00 0.00 N ATOM 0 H GLN A 123 -3.921 14.957 22.858 1.00 0.00 H new ATOM 0 HA GLN A 123 -2.975 12.974 23.204 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -5.546 12.287 24.681 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -4.034 11.409 24.800 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -3.437 14.137 25.364 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -4.899 13.750 26.248 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -1.846 14.120 26.851 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -1.499 12.773 27.941 1.00 0.00 H new ATOM 1901 N TRP A 124 -4.499 12.357 20.933 1.00 0.00 N ATOM 1902 CA TRP A 124 -4.921 11.515 19.819 1.00 0.00 C ATOM 1903 C TRP A 124 -3.746 10.721 19.256 1.00 0.00 C ATOM 1904 O TRP A 124 -2.672 11.273 19.012 1.00 0.00 O ATOM 1905 CB TRP A 124 -5.547 12.371 18.715 1.00 0.00 C ATOM 1906 CG TRP A 124 -6.990 12.692 18.960 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -7.487 13.647 19.800 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -8.125 12.056 18.359 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -8.859 13.645 19.758 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -9.275 12.678 18.881 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -8.278 11.024 17.430 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -10.562 12.299 18.504 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -9.556 10.648 17.057 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -10.683 11.284 17.593 1.00 0.00 C ATOM 0 H TRP A 124 -4.187 13.290 20.663 1.00 0.00 H new ATOM 0 HA TRP A 124 -5.665 10.811 20.192 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -4.986 13.301 18.624 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -5.455 11.848 17.763 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -6.888 14.308 20.409 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -9.470 14.263 20.293 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -7.415 10.529 17.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -11.432 12.788 18.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -9.687 9.851 16.340 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -11.667 10.967 17.281 1.00 0.00 H new ATOM 1925 N SER A 125 -3.957 9.425 19.053 1.00 0.00 N ATOM 1926 CA SER A 125 -2.917 8.554 18.518 1.00 0.00 C ATOM 1927 C SER A 125 -3.435 7.762 17.321 1.00 0.00 C ATOM 1928 O SER A 125 -4.570 7.284 17.326 1.00 0.00 O ATOM 1929 CB SER A 125 -2.418 7.596 19.602 1.00 0.00 C ATOM 1930 OG SER A 125 -1.711 8.292 20.614 1.00 0.00 O ATOM 0 H SER A 125 -4.840 8.954 19.251 1.00 0.00 H new ATOM 0 HA SER A 125 -2.088 9.179 18.186 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.264 7.069 20.043 1.00 0.00 H new ATOM 0 HB3 SER A 125 -1.770 6.842 19.155 1.00 0.00 H new ATOM 0 HG SER A 125 -1.405 7.657 21.295 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.599 7.627 16.297 1.00 0.00 N ATOM 1937 CA LEU A 126 -2.976 6.894 15.094 1.00 0.00 C ATOM 1938 C LEU A 126 -2.059 5.695 14.871 1.00 0.00 C ATOM 1939 O LEU A 126 -0.858 5.759 15.134 1.00 0.00 O ATOM 1940 CB LEU A 126 -2.929 7.816 13.874 1.00 0.00 C ATOM 1941 CG LEU A 126 -4.081 7.639 12.882 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -4.105 6.219 12.342 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -5.407 7.985 13.541 1.00 0.00 C ATOM 0 H LEU A 126 -1.656 8.016 16.276 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.994 6.529 15.230 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.923 8.850 14.219 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.989 7.650 13.348 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.925 8.320 12.046 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.930 6.111 11.638 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.164 6.007 11.833 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.237 5.518 13.166 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.216 7.854 12.822 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.571 7.328 14.395 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.386 9.021 13.879 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.635 4.602 14.379 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.874 3.388 14.113 1.00 0.00 C ATOM 1957 C ASP A 127 -2.166 2.871 12.708 1.00 0.00 C ATOM 1958 O ASP A 127 -3.307 2.545 12.381 1.00 0.00 O ATOM 1959 CB ASP A 127 -2.209 2.311 15.147 1.00 0.00 C ATOM 1960 CG ASP A 127 -1.818 2.717 16.554 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -0.622 2.995 16.780 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -2.709 2.759 17.428 1.00 0.00 O ATOM 0 H ASP A 127 -3.628 4.533 14.157 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.813 3.627 14.184 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -3.278 2.102 15.116 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.696 1.386 14.883 1.00 0.00 H new ATOM 1967 N VAL A 128 -1.130 2.802 11.877 1.00 0.00 N ATOM 1968 CA VAL A 128 -1.282 2.329 10.507 1.00 0.00 C ATOM 1969 C VAL A 128 -0.093 1.472 10.085 1.00 0.00 C ATOM 1970 O VAL A 128 0.981 1.548 10.682 1.00 0.00 O ATOM 1971 CB VAL A 128 -1.430 3.505 9.524 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.776 2.999 8.132 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -2.483 4.484 10.018 1.00 0.00 C ATOM 0 H VAL A 128 -0.178 3.067 12.129 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.188 1.724 10.478 1.00 0.00 H new ATOM 0 HB VAL A 128 -0.476 4.029 9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.876 3.845 7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.984 2.340 7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.716 2.449 8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.574 5.308 9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.442 3.973 10.105 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -2.189 4.873 10.993 1.00 0.00 H new ATOM 1983 N ALA A 129 -0.292 0.657 9.055 1.00 0.00 N ATOM 1984 CA ALA A 129 0.765 -0.213 8.556 1.00 0.00 C ATOM 1985 C ALA A 129 0.484 -0.658 7.124 1.00 0.00 C ATOM 1986 O ALA A 129 -0.658 -0.939 6.762 1.00 0.00 O ATOM 1987 CB ALA A 129 0.919 -1.426 9.461 1.00 0.00 C ATOM 0 H ALA A 129 -1.175 0.581 8.550 1.00 0.00 H new ATOM 0 HA ALA A 129 1.696 0.354 8.557 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.712 -2.068 9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.174 -1.098 10.469 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.018 -1.982 9.486 1.00 0.00 H new ATOM 1993 N ALA A 130 1.538 -0.721 6.314 1.00 0.00 N ATOM 1994 CA ALA A 130 1.409 -1.135 4.922 1.00 0.00 C ATOM 1995 C ALA A 130 1.953 -2.547 4.723 1.00 0.00 C ATOM 1996 O ALA A 130 2.918 -2.946 5.375 1.00 0.00 O ATOM 1997 CB ALA A 130 2.129 -0.153 4.009 1.00 0.00 C ATOM 0 H ALA A 130 2.490 -0.490 6.599 1.00 0.00 H new ATOM 0 HA ALA A 130 0.350 -1.140 4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.024 -0.475 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.693 0.839 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.186 -0.119 4.273 1.00 0.00 H new ATOM 2003 N ASP A 131 1.331 -3.299 3.821 1.00 0.00 N ATOM 2004 CA ASP A 131 1.759 -4.665 3.540 1.00 0.00 C ATOM 2005 C ASP A 131 3.213 -4.696 3.088 1.00 0.00 C ATOM 2006 O ASP A 131 4.064 -5.310 3.730 1.00 0.00 O ATOM 2007 CB ASP A 131 0.865 -5.294 2.469 1.00 0.00 C ATOM 2008 CG ASP A 131 -0.585 -5.379 2.904 1.00 0.00 C ATOM 2009 OD1 ASP A 131 -0.835 -5.776 4.062 1.00 0.00 O ATOM 2010 OD2 ASP A 131 -1.470 -5.051 2.088 1.00 0.00 O ATOM 0 H ASP A 131 0.530 -2.986 3.273 1.00 0.00 H new ATOM 0 HA ASP A 131 1.671 -5.243 4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 131 0.933 -4.708 1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.231 -6.294 2.236 1.00 0.00 H new ATOM 2015 N SER A 132 3.484 -4.023 1.980 1.00 0.00 N ATOM 2016 CA SER A 132 4.833 -3.958 1.432 1.00 0.00 C ATOM 2017 C SER A 132 5.731 -3.100 2.312 1.00 0.00 C ATOM 2018 O SER A 132 5.516 -1.897 2.452 1.00 0.00 O ATOM 2019 CB SER A 132 4.800 -3.396 0.008 1.00 0.00 C ATOM 2020 OG SER A 132 6.064 -2.878 -0.368 1.00 0.00 O ATOM 0 H SER A 132 2.786 -3.512 1.440 1.00 0.00 H new ATOM 0 HA SER A 132 5.240 -4.969 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.504 -4.180 -0.689 1.00 0.00 H new ATOM 0 HB3 SER A 132 4.048 -2.610 -0.058 1.00 0.00 H new ATOM 0 HG SER A 132 5.939 -2.074 -0.914 1.00 0.00 H new ATOM 2026 N GLN A 133 6.746 -3.728 2.898 1.00 0.00 N ATOM 2027 CA GLN A 133 7.687 -3.020 3.760 1.00 0.00 C ATOM 2028 C GLN A 133 8.183 -1.748 3.084 1.00 0.00 C ATOM 2029 O GLN A 133 8.561 -0.783 3.749 1.00 0.00 O ATOM 2030 CB GLN A 133 8.872 -3.925 4.107 1.00 0.00 C ATOM 2031 CG GLN A 133 9.896 -3.265 5.018 1.00 0.00 C ATOM 2032 CD GLN A 133 11.246 -3.094 4.349 1.00 0.00 C ATOM 2033 OE1 GLN A 133 11.665 -1.978 4.045 1.00 0.00 O ATOM 2034 NE2 GLN A 133 11.937 -4.206 4.118 1.00 0.00 N ATOM 0 H GLN A 133 6.938 -4.724 2.792 1.00 0.00 H new ATOM 0 HA GLN A 133 7.169 -2.745 4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 133 8.499 -4.829 4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.364 -4.234 3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 133 9.523 -2.290 5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.015 -3.865 5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 133 11.551 -5.111 4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 133 12.853 -4.154 3.672 1.00 0.00 H new ATOM 2043 N GLU A 134 8.170 -1.751 1.752 1.00 0.00 N ATOM 2044 CA GLU A 134 8.612 -0.593 0.985 1.00 0.00 C ATOM 2045 C GLU A 134 7.550 0.499 1.009 1.00 0.00 C ATOM 2046 O GLU A 134 7.859 1.678 1.188 1.00 0.00 O ATOM 2047 CB GLU A 134 8.922 -0.993 -0.458 1.00 0.00 C ATOM 2048 CG GLU A 134 10.230 -1.749 -0.612 1.00 0.00 C ATOM 2049 CD GLU A 134 11.313 -0.917 -1.270 1.00 0.00 C ATOM 2050 OE1 GLU A 134 11.291 0.321 -1.108 1.00 0.00 O ATOM 2051 OE2 GLU A 134 12.183 -1.503 -1.949 1.00 0.00 O ATOM 0 H GLU A 134 7.859 -2.540 1.186 1.00 0.00 H new ATOM 0 HA GLU A 134 9.522 -0.206 1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 134 8.108 -1.611 -0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 134 8.956 -0.096 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.574 -2.075 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.058 -2.648 -1.204 1.00 0.00 H new ATOM 2058 N GLU A 135 6.298 0.096 0.836 1.00 0.00 N ATOM 2059 CA GLU A 135 5.187 1.037 0.850 1.00 0.00 C ATOM 2060 C GLU A 135 5.034 1.654 2.236 1.00 0.00 C ATOM 2061 O GLU A 135 4.641 2.811 2.372 1.00 0.00 O ATOM 2062 CB GLU A 135 3.889 0.338 0.438 1.00 0.00 C ATOM 2063 CG GLU A 135 3.477 0.619 -0.998 1.00 0.00 C ATOM 2064 CD GLU A 135 4.217 -0.248 -1.998 1.00 0.00 C ATOM 2065 OE1 GLU A 135 5.353 -0.667 -1.692 1.00 0.00 O ATOM 2066 OE2 GLU A 135 3.663 -0.507 -3.086 1.00 0.00 O ATOM 0 H GLU A 135 6.027 -0.876 0.684 1.00 0.00 H new ATOM 0 HA GLU A 135 5.398 1.831 0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 135 4.008 -0.738 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.088 0.654 1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.405 0.454 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.662 1.669 -1.226 1.00 0.00 H new ATOM 2073 N LEU A 136 5.359 0.871 3.260 1.00 0.00 N ATOM 2074 CA LEU A 136 5.269 1.337 4.637 1.00 0.00 C ATOM 2075 C LEU A 136 6.319 2.405 4.907 1.00 0.00 C ATOM 2076 O LEU A 136 6.010 3.480 5.425 1.00 0.00 O ATOM 2077 CB LEU A 136 5.446 0.167 5.608 1.00 0.00 C ATOM 2078 CG LEU A 136 5.454 0.551 7.088 1.00 0.00 C ATOM 2079 CD1 LEU A 136 4.873 -0.572 7.934 1.00 0.00 C ATOM 2080 CD2 LEU A 136 6.866 0.886 7.544 1.00 0.00 C ATOM 0 H LEU A 136 5.687 -0.090 3.161 1.00 0.00 H new ATOM 0 HA LEU A 136 4.281 1.773 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.643 -0.551 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.382 -0.341 5.375 1.00 0.00 H new ATOM 0 HG LEU A 136 4.831 1.436 7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.887 -0.281 8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.846 -0.766 7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.469 -1.474 7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.853 1.157 8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.510 0.019 7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.248 1.723 6.959 1.00 0.00 H new ATOM 2092 N GLN A 137 7.560 2.104 4.546 1.00 0.00 N ATOM 2093 CA GLN A 137 8.656 3.042 4.741 1.00 0.00 C ATOM 2094 C GLN A 137 8.492 4.247 3.823 1.00 0.00 C ATOM 2095 O GLN A 137 8.799 5.378 4.200 1.00 0.00 O ATOM 2096 CB GLN A 137 10.000 2.359 4.476 1.00 0.00 C ATOM 2097 CG GLN A 137 10.496 1.520 5.642 1.00 0.00 C ATOM 2098 CD GLN A 137 10.764 2.349 6.883 1.00 0.00 C ATOM 2099 OE1 GLN A 137 10.646 1.724 8.049 1.00 0.00 O flip ATOM 2100 NE2 GLN A 137 11.074 3.536 6.795 1.00 0.00 N flip ATOM 0 H GLN A 137 7.832 1.219 4.117 1.00 0.00 H new ATOM 0 HA GLN A 137 8.636 3.383 5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.908 1.724 3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.745 3.120 4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 137 9.757 0.754 5.874 1.00 0.00 H new ATOM 0 HG3 GLN A 137 11.410 1.003 5.350 1.00 0.00 H new ATOM 0 HE21 GLN A 137 11.153 3.976 5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 137 11.252 4.081 7.639 1.00 0.00 H new ATOM 2109 N ASP A 138 7.995 3.993 2.618 1.00 0.00 N ATOM 2110 CA ASP A 138 7.776 5.055 1.646 1.00 0.00 C ATOM 2111 C ASP A 138 6.616 5.943 2.080 1.00 0.00 C ATOM 2112 O ASP A 138 6.588 7.136 1.777 1.00 0.00 O ATOM 2113 CB ASP A 138 7.494 4.463 0.265 1.00 0.00 C ATOM 2114 CG ASP A 138 7.713 5.467 -0.850 1.00 0.00 C ATOM 2115 OD1 ASP A 138 8.695 6.235 -0.774 1.00 0.00 O ATOM 2116 OD2 ASP A 138 6.901 5.487 -1.800 1.00 0.00 O ATOM 0 H ASP A 138 7.737 3.062 2.292 1.00 0.00 H new ATOM 0 HA ASP A 138 8.680 5.662 1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 138 8.139 3.599 0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.466 4.104 0.230 1.00 0.00 H new ATOM 2121 N TRP A 139 5.663 5.356 2.800 1.00 0.00 N ATOM 2122 CA TRP A 139 4.507 6.100 3.281 1.00 0.00 C ATOM 2123 C TRP A 139 4.919 7.093 4.358 1.00 0.00 C ATOM 2124 O TRP A 139 4.519 8.255 4.335 1.00 0.00 O ATOM 2125 CB TRP A 139 3.438 5.149 3.825 1.00 0.00 C ATOM 2126 CG TRP A 139 2.248 5.032 2.925 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.239 4.558 1.648 1.00 0.00 C ATOM 2128 CD2 TRP A 139 0.899 5.406 3.226 1.00 0.00 C ATOM 2129 NE1 TRP A 139 0.966 4.609 1.134 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.125 5.125 2.084 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.269 5.946 4.351 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -1.245 5.371 2.035 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -1.091 6.189 4.300 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.835 5.900 3.149 1.00 0.00 C ATOM 0 H TRP A 139 5.670 4.370 3.061 1.00 0.00 H new ATOM 0 HA TRP A 139 4.087 6.651 2.439 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.877 4.162 3.968 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.113 5.499 4.805 1.00 0.00 H new ATOM 0 HD1 TRP A 139 3.106 4.195 1.117 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.692 4.311 0.198 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.834 6.169 5.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.821 5.152 1.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.588 6.609 5.162 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.896 6.099 3.141 1.00 0.00 H new ATOM 2145 N VAL A 140 5.727 6.624 5.301 1.00 0.00 N ATOM 2146 CA VAL A 140 6.200 7.470 6.389 1.00 0.00 C ATOM 2147 C VAL A 140 7.056 8.612 5.856 1.00 0.00 C ATOM 2148 O VAL A 140 6.950 9.749 6.316 1.00 0.00 O ATOM 2149 CB VAL A 140 7.017 6.665 7.416 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.339 7.522 8.632 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.267 5.406 7.827 1.00 0.00 C ATOM 0 H VAL A 140 6.068 5.663 5.334 1.00 0.00 H new ATOM 0 HA VAL A 140 5.317 7.877 6.883 1.00 0.00 H new ATOM 0 HB VAL A 140 7.956 6.366 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.917 6.936 9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 140 7.919 8.391 8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.412 7.853 9.099 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.860 4.850 8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.311 5.681 8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.092 4.784 6.949 1.00 0.00 H new ATOM 2161 N LYS A 141 7.902 8.300 4.882 1.00 0.00 N ATOM 2162 CA LYS A 141 8.777 9.300 4.283 1.00 0.00 C ATOM 2163 C LYS A 141 7.964 10.371 3.569 1.00 0.00 C ATOM 2164 O LYS A 141 8.311 11.551 3.600 1.00 0.00 O ATOM 2165 CB LYS A 141 9.751 8.640 3.305 1.00 0.00 C ATOM 2166 CG LYS A 141 11.091 8.284 3.930 1.00 0.00 C ATOM 2167 CD LYS A 141 12.241 8.536 2.968 1.00 0.00 C ATOM 2168 CE LYS A 141 12.484 10.023 2.766 1.00 0.00 C ATOM 2169 NZ LYS A 141 13.054 10.663 3.985 1.00 0.00 N ATOM 0 H LYS A 141 8.001 7.363 4.490 1.00 0.00 H new ATOM 0 HA LYS A 141 9.347 9.774 5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.294 7.735 2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.919 9.312 2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 141 11.238 8.872 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.088 7.235 4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 141 13.147 8.067 3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 141 12.023 8.068 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 141 13.165 10.169 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 141 11.546 10.512 2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 13.408 11.611 3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 12.315 10.743 4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.837 10.082 4.348 1.00 0.00 H new ATOM 2183 N LYS A 142 6.876 9.956 2.930 1.00 0.00 N ATOM 2184 CA LYS A 142 6.015 10.889 2.216 1.00 0.00 C ATOM 2185 C LYS A 142 5.350 11.848 3.191 1.00 0.00 C ATOM 2186 O LYS A 142 5.463 13.064 3.050 1.00 0.00 O ATOM 2187 CB LYS A 142 4.960 10.134 1.402 1.00 0.00 C ATOM 2188 CG LYS A 142 5.092 10.338 -0.098 1.00 0.00 C ATOM 2189 CD LYS A 142 6.434 9.839 -0.611 1.00 0.00 C ATOM 2190 CE LYS A 142 6.834 10.541 -1.898 1.00 0.00 C ATOM 2191 NZ LYS A 142 6.405 9.778 -3.103 1.00 0.00 N ATOM 0 H LYS A 142 6.571 8.983 2.892 1.00 0.00 H new ATOM 0 HA LYS A 142 6.630 11.467 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 142 5.035 9.069 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 142 3.968 10.457 1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 142 4.287 9.812 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 142 4.982 11.396 -0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 142 7.199 10.004 0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 142 6.382 8.764 -0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 142 6.390 11.536 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 142 7.916 10.674 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 6.697 10.290 -3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 6.848 8.837 -3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 5.370 9.673 -3.097 1.00 0.00 H new ATOM 2205 N ILE A 143 4.674 11.297 4.195 1.00 0.00 N ATOM 2206 CA ILE A 143 4.020 12.122 5.202 1.00 0.00 C ATOM 2207 C ILE A 143 5.020 13.111 5.783 1.00 0.00 C ATOM 2208 O ILE A 143 4.671 14.239 6.135 1.00 0.00 O ATOM 2209 CB ILE A 143 3.422 11.266 6.339 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.438 10.241 5.771 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.732 12.150 7.372 1.00 0.00 C ATOM 2212 CD1 ILE A 143 1.909 9.274 6.808 1.00 0.00 C ATOM 0 H ILE A 143 4.566 10.292 4.331 1.00 0.00 H new ATOM 0 HA ILE A 143 3.204 12.657 4.717 1.00 0.00 H new ATOM 0 HB ILE A 143 4.235 10.733 6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.599 10.768 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.930 9.678 4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.317 11.527 8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.456 12.845 7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 143 1.929 12.710 6.893 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.217 8.576 6.336 1.00 0.00 H new ATOM 0 HD12 ILE A 143 2.739 8.721 7.247 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.389 9.827 7.590 1.00 0.00 H new ATOM 2224 N ARG A 144 6.276 12.680 5.862 1.00 0.00 N ATOM 2225 CA ARG A 144 7.344 13.518 6.380 1.00 0.00 C ATOM 2226 C ARG A 144 7.821 14.495 5.308 1.00 0.00 C ATOM 2227 O ARG A 144 8.280 15.594 5.620 1.00 0.00 O ATOM 2228 CB ARG A 144 8.514 12.658 6.862 1.00 0.00 C ATOM 2229 CG ARG A 144 8.241 11.944 8.176 1.00 0.00 C ATOM 2230 CD ARG A 144 9.464 11.179 8.657 1.00 0.00 C ATOM 2231 NE ARG A 144 10.277 11.971 9.576 1.00 0.00 N ATOM 2232 CZ ARG A 144 9.934 12.229 10.837 1.00 0.00 C ATOM 2233 NH1 ARG A 144 8.794 11.763 11.330 1.00 0.00 N ATOM 2234 NH2 ARG A 144 10.733 12.958 11.606 1.00 0.00 N ATOM 0 H ARG A 144 6.576 11.750 5.571 1.00 0.00 H new ATOM 0 HA ARG A 144 6.955 14.085 7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.749 11.918 6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.395 13.289 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 144 7.944 12.671 8.932 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.405 11.255 8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 144 9.146 10.262 9.152 1.00 0.00 H new ATOM 0 HD3 ARG A 144 10.069 10.885 7.799 1.00 0.00 H new ATOM 0 HE ARG A 144 11.160 12.349 9.232 1.00 0.00 H new ATOM 0 HH11 ARG A 144 8.175 11.204 10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 144 8.536 11.964 12.296 1.00 0.00 H new ATOM 0 HH21 ARG A 144 11.610 13.321 11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 144 10.470 13.156 12.572 1.00 0.00 H new ATOM 2248 N GLU A 145 7.706 14.092 4.042 1.00 0.00 N ATOM 2249 CA GLU A 145 8.125 14.944 2.937 1.00 0.00 C ATOM 2250 C GLU A 145 7.124 16.072 2.719 1.00 0.00 C ATOM 2251 O GLU A 145 7.502 17.203 2.417 1.00 0.00 O ATOM 2252 CB GLU A 145 8.282 14.122 1.657 1.00 0.00 C ATOM 2253 CG GLU A 145 9.560 14.428 0.891 1.00 0.00 C ATOM 2254 CD GLU A 145 9.424 14.171 -0.597 1.00 0.00 C ATOM 2255 OE1 GLU A 145 8.645 13.270 -0.975 1.00 0.00 O ATOM 2256 OE2 GLU A 145 10.096 14.869 -1.385 1.00 0.00 O ATOM 0 H GLU A 145 7.329 13.187 3.761 1.00 0.00 H new ATOM 0 HA GLU A 145 9.090 15.382 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.265 13.062 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 145 7.426 14.308 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 145 9.835 15.470 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 145 10.372 13.819 1.288 1.00 0.00 H new ATOM 2263 N VAL A 146 5.847 15.759 2.890 1.00 0.00 N ATOM 2264 CA VAL A 146 4.793 16.749 2.728 1.00 0.00 C ATOM 2265 C VAL A 146 4.671 17.599 3.986 1.00 0.00 C ATOM 2266 O VAL A 146 4.272 18.762 3.926 1.00 0.00 O ATOM 2267 CB VAL A 146 3.434 16.092 2.422 1.00 0.00 C ATOM 2268 CG1 VAL A 146 3.416 15.532 1.008 1.00 0.00 C ATOM 2269 CG2 VAL A 146 3.124 15.004 3.439 1.00 0.00 C ATOM 0 H VAL A 146 5.517 14.827 3.141 1.00 0.00 H new ATOM 0 HA VAL A 146 5.066 17.378 1.881 1.00 0.00 H new ATOM 0 HB VAL A 146 2.659 16.855 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 146 2.448 15.072 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 146 3.586 16.339 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 146 4.201 14.783 0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 146 2.160 14.552 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 146 3.901 14.240 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 146 3.089 15.439 4.438 1.00 0.00 H new ATOM 2279 N ALA A 147 5.028 17.011 5.122 1.00 0.00 N ATOM 2280 CA ALA A 147 4.971 17.713 6.395 1.00 0.00 C ATOM 2281 C ALA A 147 6.171 18.637 6.556 1.00 0.00 C ATOM 2282 O ALA A 147 6.064 19.715 7.139 1.00 0.00 O ATOM 2283 CB ALA A 147 4.915 16.719 7.542 1.00 0.00 C ATOM 0 H ALA A 147 5.360 16.049 5.186 1.00 0.00 H new ATOM 0 HA ALA A 147 4.066 18.320 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 147 4.873 17.258 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.027 16.095 7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.805 16.090 7.522 1.00 0.00 H new ATOM 2289 N GLN A 148 7.313 18.210 6.026 1.00 0.00 N ATOM 2290 CA GLN A 148 8.531 19.005 6.106 1.00 0.00 C ATOM 2291 C GLN A 148 8.519 20.130 5.070 1.00 0.00 C ATOM 2292 O GLN A 148 9.371 21.017 5.099 1.00 0.00 O ATOM 2293 CB GLN A 148 9.764 18.119 5.906 1.00 0.00 C ATOM 2294 CG GLN A 148 9.901 17.570 4.494 1.00 0.00 C ATOM 2295 CD GLN A 148 11.088 18.154 3.752 1.00 0.00 C ATOM 2296 OE1 GLN A 148 12.021 18.676 4.363 1.00 0.00 O ATOM 2297 NE2 GLN A 148 11.057 18.073 2.427 1.00 0.00 N ATOM 0 H GLN A 148 7.419 17.321 5.538 1.00 0.00 H new ATOM 0 HA GLN A 148 8.576 19.452 7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.657 18.694 6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.719 17.286 6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 148 10.003 16.486 4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 148 8.989 17.782 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 148 10.264 17.632 1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 148 11.826 18.452 1.875 1.00 0.00 H new ATOM 2306 N THR A 149 7.551 20.086 4.157 1.00 0.00 N ATOM 2307 CA THR A 149 7.438 21.106 3.120 1.00 0.00 C ATOM 2308 C THR A 149 6.205 21.976 3.339 1.00 0.00 C ATOM 2309 O THR A 149 6.189 23.152 2.976 1.00 0.00 O ATOM 2310 CB THR A 149 7.380 20.455 1.736 1.00 0.00 C ATOM 2311 OG1 THR A 149 7.398 21.441 0.718 1.00 0.00 O ATOM 2312 CG2 THR A 149 6.149 19.602 1.526 1.00 0.00 C ATOM 0 H THR A 149 6.837 19.358 4.115 1.00 0.00 H new ATOM 0 HA THR A 149 8.321 21.742 3.177 1.00 0.00 H new ATOM 0 HB THR A 149 8.259 19.813 1.682 1.00 0.00 H new ATOM 0 HG1 THR A 149 7.362 21.006 -0.159 1.00 0.00 H new ATOM 0 HG21 THR A 149 6.171 19.171 0.525 1.00 0.00 H new ATOM 0 HG22 THR A 149 6.131 18.801 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 149 5.256 20.218 1.636 1.00 0.00 H new ATOM 2320 N ALA A 150 5.172 21.392 3.937 1.00 0.00 N ATOM 2321 CA ALA A 150 3.934 22.114 4.206 1.00 0.00 C ATOM 2322 C ALA A 150 4.135 23.162 5.295 1.00 0.00 C ATOM 2323 O ALA A 150 4.567 22.785 6.404 1.00 0.00 O ATOM 2324 CB ALA A 150 2.832 21.144 4.603 1.00 0.00 C ATOM 2325 OXT ALA A 150 3.860 24.351 5.030 1.00 0.00 O ATOM 0 H ALA A 150 5.168 20.420 4.245 1.00 0.00 H new ATOM 0 HA ALA A 150 3.638 22.629 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 150 1.914 21.697 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 150 2.661 20.436 3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.130 20.603 5.501 1.00 0.00 H new