USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 898 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 Set 1.1: A 80 ASN : amide:sc= -0.947 K(o=-0.57,f=0.094) USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0.376 USER MOD Set 2.1: A 13 ASN : amide:sc= 1.06 K(o=2.3,f=1) USER MOD Set 2.2: A 18 THR OG1 : rot -57:sc= 1.21 USER MOD Set 3.1: A 1 MET N :NH3+ -174:sc= 0.409 (180deg=-0.621) USER MOD Set 3.2: A 45 GLN : amide:sc= 0.279 K(o=0.69,f=-2.7) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.192 (180deg=-0.622) USER MOD Single : A 3 THR OG1 : rot -105:sc= 0.525 USER MOD Single : A 5 LYS NZ :NH3+ 141:sc= -0.971 (180deg=-2.74!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= -0.0572 (180deg=-0.386) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0542 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 144:sc= -4.74! USER MOD Single : A 25 GLN : amide:sc= -0.273! X(o=-0.27!,f=-0.14) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 0.259 (180deg=0.155) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.0296 (180deg=-0.251) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc=-0.00632 K(o=-0.0063,f=-0.7) USER MOD Single : A 38 ASN : amide:sc= -0.093 K(o=-0.093,f=-1.2!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0721 X(o=-0.072,f=0.064) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -6.58! K(o=-6.6!,f=-0.83) USER MOD Single : A 57 TYR OH : rot 30:sc= -2.51! USER MOD Single : A 58 THR OG1 : rot 87:sc= 0.124 USER MOD Single : A 60 SER OG : rot 81:sc= 1.24 USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= 0.636 (180deg=0.236) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.996 K(o=1,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= -0.0509 (180deg=-0.348) USER MOD Single : A 70 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-4.4!) USER MOD Single : A 72 SER OG : rot 77:sc= 0.868 USER MOD Single : A 75 SER OG : rot -79:sc= 0.459 USER MOD Single : A 76 ASN : amide:sc= -0.0735 K(o=-0.074,f=-1.5!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.0307 K(o=0.031,f=-3.7!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0684) USER MOD Single : A 97 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.33) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 101 LYS NZ :NH3+ 131:sc= 1.27 (180deg=-0.116) USER MOD Single : A 106 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.089) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HE2:sc= 0.678 K(o=0.68,f=-2.5!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.644 -0.690 0.341 1.00 0.00 N ATOM 2 CA MET A 1 -6.043 -0.822 1.759 1.00 0.00 C ATOM 3 C MET A 1 -7.411 -1.480 1.843 1.00 0.00 C ATOM 4 O MET A 1 -7.948 -1.922 0.830 1.00 0.00 O ATOM 5 CB MET A 1 -6.084 0.552 2.437 1.00 0.00 C ATOM 6 CG MET A 1 -4.748 1.279 2.443 1.00 0.00 C ATOM 7 SD MET A 1 -4.832 2.885 3.262 1.00 0.00 S ATOM 8 CE MET A 1 -5.240 2.398 4.938 1.00 0.00 C ATOM 0 H1 MET A 1 -4.668 -0.334 0.287 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.700 -1.619 -0.123 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.282 -0.024 -0.139 1.00 0.00 H new ATOM 0 HA MET A 1 -5.308 -1.440 2.275 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.822 1.174 1.930 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.423 0.428 3.465 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.004 0.659 2.943 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.409 1.417 1.416 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.066 3.236 5.613 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.289 2.104 4.986 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.613 1.557 5.235 1.00 0.00 H new ATOM 20 N PHE A 2 -7.972 -1.545 3.041 1.00 0.00 N ATOM 21 CA PHE A 2 -9.271 -2.172 3.233 1.00 0.00 C ATOM 22 C PHE A 2 -10.374 -1.130 3.127 1.00 0.00 C ATOM 23 O PHE A 2 -10.470 -0.231 3.963 1.00 0.00 O ATOM 24 CB PHE A 2 -9.338 -2.857 4.600 1.00 0.00 C ATOM 25 CG PHE A 2 -8.173 -3.764 4.882 1.00 0.00 C ATOM 26 CD1 PHE A 2 -7.999 -4.940 4.169 1.00 0.00 C ATOM 27 CD2 PHE A 2 -7.254 -3.440 5.867 1.00 0.00 C ATOM 28 CE1 PHE A 2 -6.928 -5.773 4.432 1.00 0.00 C ATOM 29 CE2 PHE A 2 -6.181 -4.268 6.134 1.00 0.00 C ATOM 30 CZ PHE A 2 -6.018 -5.437 5.416 1.00 0.00 C ATOM 0 H PHE A 2 -7.550 -1.173 3.892 1.00 0.00 H new ATOM 0 HA PHE A 2 -9.410 -2.923 2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.388 -2.094 5.376 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.260 -3.435 4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -8.708 -5.208 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.378 -2.529 6.433 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -6.802 -6.686 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.471 -4.002 6.903 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.181 -6.087 5.623 1.00 0.00 H new ATOM 40 N THR A 3 -11.190 -1.234 2.097 1.00 0.00 N ATOM 41 CA THR A 3 -12.299 -0.317 1.922 1.00 0.00 C ATOM 42 C THR A 3 -13.626 -1.053 2.036 1.00 0.00 C ATOM 43 O THR A 3 -13.727 -2.233 1.699 1.00 0.00 O ATOM 44 CB THR A 3 -12.224 0.412 0.565 1.00 0.00 C ATOM 45 OG1 THR A 3 -12.053 -0.535 -0.498 1.00 0.00 O ATOM 46 CG2 THR A 3 -11.082 1.416 0.552 1.00 0.00 C ATOM 0 H THR A 3 -11.106 -1.944 1.369 1.00 0.00 H new ATOM 0 HA THR A 3 -12.231 0.428 2.714 1.00 0.00 H new ATOM 0 HB THR A 3 -13.160 0.951 0.417 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.128 -0.502 -0.820 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.049 1.917 -0.415 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.238 2.154 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.139 0.897 0.723 1.00 0.00 H new ATOM 54 N ALA A 4 -14.636 -0.363 2.533 1.00 0.00 N ATOM 55 CA ALA A 4 -15.961 -0.938 2.658 1.00 0.00 C ATOM 56 C ALA A 4 -16.998 0.008 2.079 1.00 0.00 C ATOM 57 O ALA A 4 -16.955 1.215 2.324 1.00 0.00 O ATOM 58 CB ALA A 4 -16.276 -1.248 4.113 1.00 0.00 C ATOM 0 H ALA A 4 -14.562 0.601 2.858 1.00 0.00 H new ATOM 0 HA ALA A 4 -15.988 -1.872 2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.275 -1.679 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.546 -1.958 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.234 -0.329 4.698 1.00 0.00 H new ATOM 64 N LYS A 5 -17.912 -0.533 1.292 1.00 0.00 N ATOM 65 CA LYS A 5 -18.979 0.267 0.722 1.00 0.00 C ATOM 66 C LYS A 5 -20.328 -0.265 1.171 1.00 0.00 C ATOM 67 O LYS A 5 -20.672 -1.410 0.882 1.00 0.00 O ATOM 68 CB LYS A 5 -18.922 0.247 -0.803 1.00 0.00 C ATOM 69 CG LYS A 5 -19.738 1.359 -1.434 1.00 0.00 C ATOM 70 CD LYS A 5 -20.100 1.115 -2.897 1.00 0.00 C ATOM 71 CE LYS A 5 -18.925 0.698 -3.766 1.00 0.00 C ATOM 72 NZ LYS A 5 -18.521 -0.722 -3.576 1.00 0.00 N ATOM 0 H LYS A 5 -17.936 -1.520 1.035 1.00 0.00 H new ATOM 0 HA LYS A 5 -18.850 1.292 1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.884 0.336 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -19.286 -0.715 -1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -20.656 1.491 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -19.179 2.292 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -20.867 0.342 -2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -20.538 2.025 -3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.183 0.857 -4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.074 1.342 -3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.265 -1.136 -4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.703 -0.767 -2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.313 -1.256 -3.164 1.00 0.00 H new ATOM 86 N LEU A 6 -21.089 0.557 1.872 1.00 0.00 N ATOM 87 CA LEU A 6 -22.428 0.168 2.282 1.00 0.00 C ATOM 88 C LEU A 6 -23.325 0.148 1.056 1.00 0.00 C ATOM 89 O LEU A 6 -23.349 1.106 0.283 1.00 0.00 O ATOM 90 CB LEU A 6 -22.976 1.135 3.336 1.00 0.00 C ATOM 91 CG LEU A 6 -24.331 0.756 3.947 1.00 0.00 C ATOM 92 CD1 LEU A 6 -24.235 -0.519 4.776 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.861 1.905 4.779 1.00 0.00 C ATOM 0 H LEU A 6 -20.806 1.491 2.168 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.398 -0.825 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.246 1.218 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -23.066 2.123 2.884 1.00 0.00 H new ATOM 0 HG LEU A 6 -25.029 0.558 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -25.214 -0.756 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -23.902 -1.341 4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -23.521 -0.373 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.823 1.629 5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -24.156 2.130 5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -24.985 2.785 4.147 1.00 0.00 H new ATOM 105 N ILE A 7 -24.024 -0.952 0.850 1.00 0.00 N ATOM 106 CA ILE A 7 -24.876 -1.096 -0.318 1.00 0.00 C ATOM 107 C ILE A 7 -26.345 -1.165 0.083 1.00 0.00 C ATOM 108 O ILE A 7 -27.234 -0.960 -0.741 1.00 0.00 O ATOM 109 CB ILE A 7 -24.501 -2.351 -1.140 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.759 -3.628 -0.331 1.00 0.00 C ATOM 111 CG2 ILE A 7 -23.045 -2.275 -1.573 1.00 0.00 C ATOM 112 CD1 ILE A 7 -24.660 -4.898 -1.146 1.00 0.00 C ATOM 0 H ILE A 7 -24.020 -1.759 1.474 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.719 -0.215 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 7 -25.129 -2.384 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -24.044 -3.678 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.752 -3.570 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.791 -3.163 -2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -22.894 -1.387 -2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.406 -2.220 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.855 -5.758 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -25.394 -4.872 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -23.659 -4.981 -1.570 1.00 0.00 H new ATOM 124 N LYS A 8 -26.594 -1.440 1.357 1.00 0.00 N ATOM 125 CA LYS A 8 -27.954 -1.579 1.856 1.00 0.00 C ATOM 126 C LYS A 8 -28.134 -0.794 3.144 1.00 0.00 C ATOM 127 O LYS A 8 -27.255 -0.787 4.001 1.00 0.00 O ATOM 128 CB LYS A 8 -28.282 -3.051 2.104 1.00 0.00 C ATOM 129 CG LYS A 8 -28.186 -3.917 0.863 1.00 0.00 C ATOM 130 CD LYS A 8 -28.409 -5.379 1.192 1.00 0.00 C ATOM 131 CE LYS A 8 -28.248 -6.254 -0.039 1.00 0.00 C ATOM 132 NZ LYS A 8 -28.492 -7.687 0.263 1.00 0.00 N ATOM 0 H LYS A 8 -25.870 -1.571 2.064 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.634 -1.182 1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.603 -3.442 2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -29.291 -3.125 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.925 -3.590 0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.205 -3.791 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.701 -5.693 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.408 -5.512 1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -28.941 -5.923 -0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -27.242 -6.134 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -28.372 -8.250 -0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -27.814 -8.010 0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -29.461 -7.806 0.622 1.00 0.00 H new ATOM 146 N GLY A 9 -29.268 -0.127 3.270 1.00 0.00 N ATOM 147 CA GLY A 9 -29.558 0.620 4.474 1.00 0.00 C ATOM 148 C GLY A 9 -29.587 2.108 4.219 1.00 0.00 C ATOM 149 O GLY A 9 -30.047 2.877 5.066 1.00 0.00 O ATOM 0 H GLY A 9 -29.996 -0.089 2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.520 0.302 4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -28.806 0.396 5.231 1.00 0.00 H new ATOM 153 N LYS A 10 -29.069 2.501 3.049 1.00 0.00 N ATOM 154 CA LYS A 10 -29.055 3.893 2.598 1.00 0.00 C ATOM 155 C LYS A 10 -28.011 4.705 3.365 1.00 0.00 C ATOM 156 O LYS A 10 -27.152 5.356 2.766 1.00 0.00 O ATOM 157 CB LYS A 10 -30.450 4.519 2.726 1.00 0.00 C ATOM 158 CG LYS A 10 -30.557 5.923 2.159 1.00 0.00 C ATOM 159 CD LYS A 10 -31.974 6.459 2.286 1.00 0.00 C ATOM 160 CE LYS A 10 -32.078 7.887 1.778 1.00 0.00 C ATOM 161 NZ LYS A 10 -31.131 8.793 2.479 1.00 0.00 N ATOM 0 H LYS A 10 -28.645 1.854 2.385 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.777 3.907 1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -31.171 3.878 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.730 4.542 3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -29.867 6.584 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -30.259 5.919 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -32.657 5.821 1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -32.287 6.419 3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -31.875 7.907 0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -33.097 8.249 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -31.418 9.781 2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -31.140 8.584 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -30.171 8.649 2.105 1.00 0.00 H new ATOM 175 N THR A 11 -28.080 4.651 4.684 1.00 0.00 N ATOM 176 CA THR A 11 -27.122 5.321 5.544 1.00 0.00 C ATOM 177 C THR A 11 -27.002 4.574 6.871 1.00 0.00 C ATOM 178 O THR A 11 -27.986 4.416 7.594 1.00 0.00 O ATOM 179 CB THR A 11 -27.526 6.788 5.805 1.00 0.00 C ATOM 180 OG1 THR A 11 -27.686 7.475 4.556 1.00 0.00 O ATOM 181 CG2 THR A 11 -26.479 7.503 6.647 1.00 0.00 C ATOM 0 H THR A 11 -28.804 4.140 5.189 1.00 0.00 H new ATOM 0 HA THR A 11 -26.158 5.322 5.035 1.00 0.00 H new ATOM 0 HB THR A 11 -28.469 6.790 6.352 1.00 0.00 H new ATOM 0 HG1 THR A 11 -27.944 8.405 4.725 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.790 8.534 6.815 1.00 0.00 H new ATOM 0 HG22 THR A 11 -26.374 6.995 7.606 1.00 0.00 H new ATOM 0 HG23 THR A 11 -25.523 7.493 6.124 1.00 0.00 H new ATOM 189 N TYR A 12 -25.806 4.095 7.171 1.00 0.00 N ATOM 190 CA TYR A 12 -25.565 3.330 8.386 1.00 0.00 C ATOM 191 C TYR A 12 -24.212 3.692 8.993 1.00 0.00 C ATOM 192 O TYR A 12 -23.185 3.655 8.318 1.00 0.00 O ATOM 193 CB TYR A 12 -25.634 1.830 8.069 1.00 0.00 C ATOM 194 CG TYR A 12 -25.224 0.922 9.199 1.00 0.00 C ATOM 195 CD1 TYR A 12 -25.844 0.980 10.442 1.00 0.00 C ATOM 196 CD2 TYR A 12 -24.211 -0.003 9.012 1.00 0.00 C ATOM 197 CE1 TYR A 12 -25.459 0.139 11.469 1.00 0.00 C ATOM 198 CE2 TYR A 12 -23.818 -0.849 10.034 1.00 0.00 C ATOM 199 CZ TYR A 12 -24.444 -0.772 11.262 1.00 0.00 C ATOM 200 OH TYR A 12 -24.054 -1.612 12.285 1.00 0.00 O ATOM 0 H TYR A 12 -24.980 4.223 6.586 1.00 0.00 H new ATOM 0 HA TYR A 12 -26.334 3.574 9.118 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -26.654 1.582 7.775 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.996 1.626 7.209 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -26.638 1.693 10.608 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -23.719 -0.065 8.052 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -25.950 0.195 12.429 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.026 -1.565 9.872 1.00 0.00 H new ATOM 0 HH TYR A 12 -23.328 -2.192 11.973 1.00 0.00 H new ATOM 210 N ASN A 13 -24.226 4.061 10.264 1.00 0.00 N ATOM 211 CA ASN A 13 -23.003 4.393 10.983 1.00 0.00 C ATOM 212 C ASN A 13 -22.440 3.170 11.690 1.00 0.00 C ATOM 213 O ASN A 13 -23.140 2.512 12.462 1.00 0.00 O ATOM 214 CB ASN A 13 -23.259 5.497 12.015 1.00 0.00 C ATOM 215 CG ASN A 13 -23.202 6.890 11.420 1.00 0.00 C ATOM 216 OD1 ASN A 13 -22.147 7.524 11.404 1.00 0.00 O ATOM 217 ND2 ASN A 13 -24.329 7.376 10.929 1.00 0.00 N ATOM 0 H ASN A 13 -25.076 4.139 10.823 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.279 4.748 10.249 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.238 5.342 12.469 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -22.521 5.419 12.813 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -24.345 8.309 10.517 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -25.182 6.818 10.962 1.00 0.00 H new ATOM 224 N VAL A 14 -21.183 2.864 11.419 1.00 0.00 N ATOM 225 CA VAL A 14 -20.501 1.780 12.107 1.00 0.00 C ATOM 226 C VAL A 14 -19.532 2.356 13.130 1.00 0.00 C ATOM 227 O VAL A 14 -18.479 2.890 12.768 1.00 0.00 O ATOM 228 CB VAL A 14 -19.743 0.857 11.130 1.00 0.00 C ATOM 229 CG1 VAL A 14 -19.101 -0.305 11.871 1.00 0.00 C ATOM 230 CG2 VAL A 14 -20.675 0.344 10.047 1.00 0.00 C ATOM 0 H VAL A 14 -20.613 3.351 10.727 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.258 1.175 12.606 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.952 1.441 10.659 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.573 -0.942 11.161 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.396 0.079 12.609 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.873 -0.886 12.375 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.122 -0.305 9.368 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.489 -0.219 10.504 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.084 1.187 9.490 1.00 0.00 H new ATOM 240 N MET A 15 -19.921 2.269 14.403 1.00 0.00 N ATOM 241 CA MET A 15 -19.164 2.846 15.518 1.00 0.00 C ATOM 242 C MET A 15 -19.131 4.371 15.430 1.00 0.00 C ATOM 243 O MET A 15 -19.871 5.058 16.139 1.00 0.00 O ATOM 244 CB MET A 15 -17.737 2.284 15.589 1.00 0.00 C ATOM 245 CG MET A 15 -17.679 0.810 15.959 1.00 0.00 C ATOM 246 SD MET A 15 -15.989 0.202 16.133 1.00 0.00 S ATOM 247 CE MET A 15 -16.294 -1.513 16.552 1.00 0.00 C ATOM 0 H MET A 15 -20.776 1.793 14.693 1.00 0.00 H new ATOM 0 HA MET A 15 -19.680 2.563 16.435 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.251 2.427 14.624 1.00 0.00 H new ATOM 0 HB3 MET A 15 -17.167 2.856 16.321 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.215 0.653 16.895 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.194 0.227 15.195 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.344 -2.028 16.693 1.00 0.00 H new ATOM 0 HE2 MET A 15 -16.874 -1.565 17.473 1.00 0.00 H new ATOM 0 HE3 MET A 15 -16.850 -1.991 15.746 1.00 0.00 H new ATOM 257 N GLY A 16 -18.287 4.893 14.553 1.00 0.00 N ATOM 258 CA GLY A 16 -18.182 6.328 14.385 1.00 0.00 C ATOM 259 C GLY A 16 -18.034 6.733 12.932 1.00 0.00 C ATOM 260 O GLY A 16 -17.941 7.917 12.618 1.00 0.00 O ATOM 0 H GLY A 16 -17.670 4.346 13.952 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -19.068 6.805 14.803 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.325 6.695 14.950 1.00 0.00 H new ATOM 264 N ILE A 17 -18.022 5.750 12.040 1.00 0.00 N ATOM 265 CA ILE A 17 -17.853 6.018 10.619 1.00 0.00 C ATOM 266 C ILE A 17 -19.203 5.953 9.910 1.00 0.00 C ATOM 267 O ILE A 17 -19.908 4.946 9.989 1.00 0.00 O ATOM 268 CB ILE A 17 -16.868 5.028 9.936 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.466 5.083 10.571 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.765 5.327 8.446 1.00 0.00 C ATOM 271 CD1 ILE A 17 -15.354 4.388 11.913 1.00 0.00 C ATOM 0 H ILE A 17 -18.127 4.763 12.275 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.428 7.018 10.535 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.266 4.024 10.082 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.752 4.632 9.882 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.177 6.127 10.692 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.072 4.626 7.981 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.748 5.225 7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.402 6.345 8.303 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.333 4.477 12.285 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.040 4.852 12.622 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.608 3.334 11.799 1.00 0.00 H new ATOM 283 N THR A 18 -19.564 7.034 9.234 1.00 0.00 N ATOM 284 CA THR A 18 -20.822 7.098 8.510 1.00 0.00 C ATOM 285 C THR A 18 -20.691 6.459 7.133 1.00 0.00 C ATOM 286 O THR A 18 -19.916 6.927 6.301 1.00 0.00 O ATOM 287 CB THR A 18 -21.281 8.557 8.331 1.00 0.00 C ATOM 288 OG1 THR A 18 -21.180 9.258 9.578 1.00 0.00 O ATOM 289 CG2 THR A 18 -22.717 8.613 7.828 1.00 0.00 C ATOM 0 H THR A 18 -19.000 7.881 9.173 1.00 0.00 H new ATOM 0 HA THR A 18 -21.559 6.552 9.098 1.00 0.00 H new ATOM 0 HB THR A 18 -20.634 9.032 7.593 1.00 0.00 H new ATOM 0 HG1 THR A 18 -21.711 8.794 10.258 1.00 0.00 H new ATOM 0 HG21 THR A 18 -23.020 9.653 7.709 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.786 8.102 6.868 1.00 0.00 H new ATOM 0 HG23 THR A 18 -23.374 8.124 8.547 1.00 0.00 H new ATOM 297 N PHE A 19 -21.429 5.386 6.902 1.00 0.00 N ATOM 298 CA PHE A 19 -21.455 4.754 5.593 1.00 0.00 C ATOM 299 C PHE A 19 -22.768 5.053 4.893 1.00 0.00 C ATOM 300 O PHE A 19 -23.826 5.074 5.522 1.00 0.00 O ATOM 301 CB PHE A 19 -21.267 3.241 5.710 1.00 0.00 C ATOM 302 CG PHE A 19 -19.910 2.838 6.201 1.00 0.00 C ATOM 303 CD1 PHE A 19 -18.857 2.689 5.314 1.00 0.00 C ATOM 304 CD2 PHE A 19 -19.689 2.601 7.546 1.00 0.00 C ATOM 305 CE1 PHE A 19 -17.606 2.315 5.763 1.00 0.00 C ATOM 306 CE2 PHE A 19 -18.442 2.227 8.001 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.400 2.082 7.108 1.00 0.00 C ATOM 0 H PHE A 19 -22.017 4.935 7.602 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.631 5.161 5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -22.022 2.841 6.387 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.441 2.786 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.016 2.867 4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.503 2.710 8.248 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.790 2.205 5.064 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.281 2.048 9.054 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.423 1.786 7.461 1.00 0.00 H new ATOM 317 N ARG A 20 -22.697 5.295 3.597 1.00 0.00 N ATOM 318 CA ARG A 20 -23.883 5.557 2.802 1.00 0.00 C ATOM 319 C ARG A 20 -23.894 4.625 1.598 1.00 0.00 C ATOM 320 O ARG A 20 -22.834 4.242 1.102 1.00 0.00 O ATOM 321 CB ARG A 20 -23.913 7.024 2.355 1.00 0.00 C ATOM 322 CG ARG A 20 -23.957 8.010 3.514 1.00 0.00 C ATOM 323 CD ARG A 20 -23.858 9.453 3.040 1.00 0.00 C ATOM 324 NE ARG A 20 -24.953 9.818 2.140 1.00 0.00 N ATOM 325 CZ ARG A 20 -25.778 10.846 2.338 1.00 0.00 C ATOM 326 NH1 ARG A 20 -25.644 11.620 3.406 1.00 0.00 N ATOM 327 NH2 ARG A 20 -26.732 11.104 1.454 1.00 0.00 N ATOM 0 H ARG A 20 -21.824 5.316 3.069 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.773 5.373 3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -23.032 7.229 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.783 7.184 1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -24.884 7.874 4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -23.139 7.798 4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.863 10.118 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -22.906 9.601 2.530 1.00 0.00 H new ATOM 0 HE ARG A 20 -25.094 9.248 1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -24.905 11.431 4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -26.279 12.405 3.550 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -26.833 10.517 0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -27.365 11.890 1.602 1.00 0.00 H new ATOM 341 N ALA A 21 -25.085 4.242 1.148 1.00 0.00 N ATOM 342 CA ALA A 21 -25.217 3.331 0.017 1.00 0.00 C ATOM 343 C ALA A 21 -24.559 3.906 -1.233 1.00 0.00 C ATOM 344 O ALA A 21 -25.019 4.910 -1.779 1.00 0.00 O ATOM 345 CB ALA A 21 -26.685 3.025 -0.244 1.00 0.00 C ATOM 0 H ALA A 21 -25.971 4.548 1.549 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.704 2.402 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.770 2.344 -1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.123 2.561 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.215 3.951 -0.468 1.00 0.00 H new ATOM 351 N GLY A 22 -23.471 3.277 -1.673 1.00 0.00 N ATOM 352 CA GLY A 22 -22.774 3.744 -2.850 1.00 0.00 C ATOM 353 C GLY A 22 -21.572 4.601 -2.507 1.00 0.00 C ATOM 354 O GLY A 22 -20.933 5.162 -3.397 1.00 0.00 O ATOM 0 H GLY A 22 -23.063 2.453 -1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.449 2.887 -3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.461 4.318 -3.472 1.00 0.00 H new ATOM 358 N VAL A 23 -21.268 4.710 -1.219 1.00 0.00 N ATOM 359 CA VAL A 23 -20.121 5.485 -0.768 1.00 0.00 C ATOM 360 C VAL A 23 -19.054 4.559 -0.195 1.00 0.00 C ATOM 361 O VAL A 23 -19.256 3.922 0.841 1.00 0.00 O ATOM 362 CB VAL A 23 -20.521 6.542 0.286 1.00 0.00 C ATOM 363 CG1 VAL A 23 -19.304 7.319 0.767 1.00 0.00 C ATOM 364 CG2 VAL A 23 -21.567 7.491 -0.283 1.00 0.00 C ATOM 0 H VAL A 23 -21.801 4.271 -0.469 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.720 6.012 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.951 6.022 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.613 8.056 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.587 6.631 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.839 7.827 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.838 8.229 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -21.160 7.999 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -22.453 6.925 -0.571 1.00 0.00 H new ATOM 374 N SER A 24 -17.934 4.477 -0.892 1.00 0.00 N ATOM 375 CA SER A 24 -16.841 3.602 -0.503 1.00 0.00 C ATOM 376 C SER A 24 -15.840 4.349 0.375 1.00 0.00 C ATOM 377 O SER A 24 -15.313 5.392 -0.021 1.00 0.00 O ATOM 378 CB SER A 24 -16.150 3.078 -1.758 1.00 0.00 C ATOM 379 OG SER A 24 -17.078 2.511 -2.650 1.00 0.00 O ATOM 0 H SER A 24 -17.757 5.013 -1.741 1.00 0.00 H new ATOM 0 HA SER A 24 -17.239 2.766 0.073 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.619 3.892 -2.251 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.405 2.332 -1.482 1.00 0.00 H new ATOM 0 HG SER A 24 -16.807 2.705 -3.571 1.00 0.00 H new ATOM 385 N GLN A 25 -15.584 3.819 1.565 1.00 0.00 N ATOM 386 CA GLN A 25 -14.668 4.456 2.505 1.00 0.00 C ATOM 387 C GLN A 25 -13.696 3.438 3.097 1.00 0.00 C ATOM 388 O GLN A 25 -14.019 2.257 3.223 1.00 0.00 O ATOM 389 CB GLN A 25 -15.455 5.159 3.614 1.00 0.00 C ATOM 390 CG GLN A 25 -16.294 6.323 3.108 1.00 0.00 C ATOM 391 CD GLN A 25 -17.213 6.901 4.165 1.00 0.00 C ATOM 392 OE1 GLN A 25 -17.524 8.092 4.150 1.00 0.00 O ATOM 393 NE2 GLN A 25 -17.661 6.065 5.086 1.00 0.00 N ATOM 0 H GLN A 25 -15.997 2.950 1.902 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.084 5.201 1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.107 4.435 4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.759 5.523 4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -15.632 7.108 2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -16.891 5.990 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.380 5.085 5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.287 6.400 5.818 1.00 0.00 H new ATOM 402 N THR A 26 -12.507 3.908 3.443 1.00 0.00 N ATOM 403 CA THR A 26 -11.454 3.053 3.973 1.00 0.00 C ATOM 404 C THR A 26 -11.678 2.758 5.456 1.00 0.00 C ATOM 405 O THR A 26 -12.066 3.644 6.224 1.00 0.00 O ATOM 406 CB THR A 26 -10.076 3.719 3.783 1.00 0.00 C ATOM 407 OG1 THR A 26 -9.942 4.175 2.429 1.00 0.00 O ATOM 408 CG2 THR A 26 -8.947 2.752 4.109 1.00 0.00 C ATOM 0 H THR A 26 -12.245 4.891 3.365 1.00 0.00 H new ATOM 0 HA THR A 26 -11.481 2.112 3.423 1.00 0.00 H new ATOM 0 HB THR A 26 -10.010 4.565 4.467 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.066 4.599 2.312 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.988 3.250 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.035 2.426 5.145 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.008 1.886 3.450 1.00 0.00 H new ATOM 416 N VAL A 27 -11.439 1.514 5.851 1.00 0.00 N ATOM 417 CA VAL A 27 -11.618 1.094 7.233 1.00 0.00 C ATOM 418 C VAL A 27 -10.432 0.252 7.700 1.00 0.00 C ATOM 419 O VAL A 27 -9.694 -0.300 6.880 1.00 0.00 O ATOM 420 CB VAL A 27 -12.918 0.276 7.417 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.137 1.107 7.058 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.883 -1.003 6.587 1.00 0.00 C ATOM 0 H VAL A 27 -11.118 0.774 5.227 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.686 2.001 7.834 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.989 -0.002 8.469 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.038 0.509 7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.182 1.985 7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.068 1.424 6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.809 -1.558 6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.777 -0.749 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.038 -1.616 6.899 1.00 0.00 H new ATOM 432 N PRO A 28 -10.216 0.166 9.022 1.00 0.00 N ATOM 433 CA PRO A 28 -9.206 -0.720 9.604 1.00 0.00 C ATOM 434 C PRO A 28 -9.589 -2.190 9.444 1.00 0.00 C ATOM 435 O PRO A 28 -10.717 -2.508 9.055 1.00 0.00 O ATOM 436 CB PRO A 28 -9.183 -0.332 11.091 1.00 0.00 C ATOM 437 CG PRO A 28 -9.924 0.960 11.178 1.00 0.00 C ATOM 438 CD PRO A 28 -10.913 0.945 10.052 1.00 0.00 C ATOM 0 HA PRO A 28 -8.237 -0.610 9.117 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.657 -1.098 11.704 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.160 -0.223 11.452 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.429 1.057 12.139 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.244 1.807 11.089 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.854 0.479 10.345 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.150 1.952 9.708 1.00 0.00 H new ATOM 446 N LYS A 29 -8.665 -3.086 9.775 1.00 0.00 N ATOM 447 CA LYS A 29 -8.898 -4.517 9.615 1.00 0.00 C ATOM 448 C LYS A 29 -10.001 -4.965 10.569 1.00 0.00 C ATOM 449 O LYS A 29 -10.769 -5.881 10.265 1.00 0.00 O ATOM 450 CB LYS A 29 -7.599 -5.299 9.864 1.00 0.00 C ATOM 451 CG LYS A 29 -7.577 -6.697 9.252 1.00 0.00 C ATOM 452 CD LYS A 29 -8.323 -7.720 10.097 1.00 0.00 C ATOM 453 CE LYS A 29 -8.400 -9.066 9.394 1.00 0.00 C ATOM 454 NZ LYS A 29 -8.970 -10.126 10.268 1.00 0.00 N ATOM 0 H LYS A 29 -7.749 -2.847 10.155 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.219 -4.720 8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.762 -4.727 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.441 -5.384 10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.021 -6.661 8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.543 -7.019 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.821 -7.837 11.057 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.330 -7.358 10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.011 -8.970 8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.402 -9.362 9.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.788 -11.059 9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.525 -10.078 11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.996 -9.983 10.363 1.00 0.00 H new ATOM 468 N LYS A 30 -10.083 -4.290 11.714 1.00 0.00 N ATOM 469 CA LYS A 30 -11.139 -4.546 12.689 1.00 0.00 C ATOM 470 C LYS A 30 -12.511 -4.397 12.040 1.00 0.00 C ATOM 471 O LYS A 30 -13.340 -5.308 12.092 1.00 0.00 O ATOM 472 CB LYS A 30 -11.030 -3.573 13.867 1.00 0.00 C ATOM 473 CG LYS A 30 -9.723 -3.666 14.640 1.00 0.00 C ATOM 474 CD LYS A 30 -9.560 -5.017 15.317 1.00 0.00 C ATOM 475 CE LYS A 30 -8.360 -5.030 16.252 1.00 0.00 C ATOM 476 NZ LYS A 30 -8.556 -4.128 17.420 1.00 0.00 N ATOM 0 H LYS A 30 -9.427 -3.559 11.989 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.021 -5.566 13.053 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.146 -2.555 13.494 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.857 -3.757 14.552 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.887 -3.497 13.961 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.689 -2.877 15.391 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.463 -5.255 15.879 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.442 -5.793 14.560 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.185 -6.047 16.604 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.469 -4.725 15.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.861 -4.360 18.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.427 -3.140 17.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.517 -4.253 17.798 1.00 0.00 H new ATOM 490 N LEU A 31 -12.735 -3.247 11.413 1.00 0.00 N ATOM 491 CA LEU A 31 -14.009 -2.964 10.769 1.00 0.00 C ATOM 492 C LEU A 31 -14.198 -3.817 9.525 1.00 0.00 C ATOM 493 O LEU A 31 -15.314 -4.223 9.220 1.00 0.00 O ATOM 494 CB LEU A 31 -14.125 -1.482 10.406 1.00 0.00 C ATOM 495 CG LEU A 31 -14.222 -0.524 11.594 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.391 0.905 11.110 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.374 -0.918 12.506 1.00 0.00 C ATOM 0 H LEU A 31 -12.049 -2.496 11.338 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.795 -3.212 11.482 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.259 -1.203 9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -15.006 -1.346 9.778 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.296 -0.588 12.165 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.458 1.574 11.968 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.534 1.185 10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.302 0.983 10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.427 -0.225 13.345 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.309 -0.883 11.947 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.213 -1.929 12.880 1.00 0.00 H new ATOM 509 N TYR A 32 -13.107 -4.091 8.813 1.00 0.00 N ATOM 510 CA TYR A 32 -13.172 -4.921 7.615 1.00 0.00 C ATOM 511 C TYR A 32 -13.792 -6.275 7.940 1.00 0.00 C ATOM 512 O TYR A 32 -14.679 -6.746 7.232 1.00 0.00 O ATOM 513 CB TYR A 32 -11.778 -5.117 7.002 1.00 0.00 C ATOM 514 CG TYR A 32 -11.793 -5.936 5.725 1.00 0.00 C ATOM 515 CD1 TYR A 32 -11.946 -5.325 4.486 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.678 -7.321 5.762 1.00 0.00 C ATOM 517 CE1 TYR A 32 -11.985 -6.071 3.322 1.00 0.00 C ATOM 518 CE2 TYR A 32 -11.711 -8.070 4.604 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.867 -7.443 3.387 1.00 0.00 C ATOM 520 OH TYR A 32 -11.920 -8.193 2.233 1.00 0.00 O ATOM 0 H TYR A 32 -12.173 -3.752 9.044 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.799 -4.408 6.886 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.340 -4.141 6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.133 -5.607 7.732 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.036 -4.250 4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.561 -7.819 6.713 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.107 -5.581 2.367 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.615 -9.145 4.651 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.820 -9.142 2.455 1.00 0.00 H new ATOM 530 N GLU A 33 -13.331 -6.890 9.019 1.00 0.00 N ATOM 531 CA GLU A 33 -13.842 -8.190 9.424 1.00 0.00 C ATOM 532 C GLU A 33 -15.260 -8.062 9.970 1.00 0.00 C ATOM 533 O GLU A 33 -16.142 -8.857 9.635 1.00 0.00 O ATOM 534 CB GLU A 33 -12.924 -8.815 10.472 1.00 0.00 C ATOM 535 CG GLU A 33 -13.316 -10.230 10.854 1.00 0.00 C ATOM 536 CD GLU A 33 -12.343 -10.848 11.829 1.00 0.00 C ATOM 537 OE1 GLU A 33 -11.223 -11.200 11.408 1.00 0.00 O ATOM 538 OE2 GLU A 33 -12.686 -10.976 13.020 1.00 0.00 O ATOM 0 H GLU A 33 -12.606 -6.511 9.628 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.868 -8.839 8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.902 -8.820 10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.929 -8.191 11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.313 -10.223 11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.368 -10.846 9.956 1.00 0.00 H new ATOM 545 N TYR A 34 -15.479 -7.038 10.787 1.00 0.00 N ATOM 546 CA TYR A 34 -16.791 -6.784 11.372 1.00 0.00 C ATOM 547 C TYR A 34 -17.843 -6.600 10.278 1.00 0.00 C ATOM 548 O TYR A 34 -18.977 -7.066 10.405 1.00 0.00 O ATOM 549 CB TYR A 34 -16.734 -5.540 12.267 1.00 0.00 C ATOM 550 CG TYR A 34 -18.013 -5.264 13.030 1.00 0.00 C ATOM 551 CD1 TYR A 34 -18.264 -5.883 14.248 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.967 -4.385 12.532 1.00 0.00 C ATOM 553 CE1 TYR A 34 -19.431 -5.636 14.947 1.00 0.00 C ATOM 554 CE2 TYR A 34 -20.134 -4.131 13.226 1.00 0.00 C ATOM 555 CZ TYR A 34 -20.362 -4.759 14.431 1.00 0.00 C ATOM 556 OH TYR A 34 -21.526 -4.512 15.123 1.00 0.00 O ATOM 0 H TYR A 34 -14.761 -6.367 11.061 1.00 0.00 H new ATOM 0 HA TYR A 34 -17.073 -7.645 11.978 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.917 -5.656 12.979 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.498 -4.673 11.650 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.536 -6.568 14.656 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.793 -3.892 11.587 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -19.613 -6.127 15.892 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.864 -3.443 12.826 1.00 0.00 H new ATOM 0 HH TYR A 34 -22.073 -3.870 14.624 1.00 0.00 H new ATOM 566 N LEU A 35 -17.456 -5.932 9.199 1.00 0.00 N ATOM 567 CA LEU A 35 -18.362 -5.680 8.088 1.00 0.00 C ATOM 568 C LEU A 35 -18.318 -6.820 7.076 1.00 0.00 C ATOM 569 O LEU A 35 -19.130 -6.878 6.159 1.00 0.00 O ATOM 570 CB LEU A 35 -18.022 -4.349 7.415 1.00 0.00 C ATOM 571 CG LEU A 35 -18.085 -3.132 8.341 1.00 0.00 C ATOM 572 CD1 LEU A 35 -17.785 -1.856 7.573 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.446 -3.047 9.021 1.00 0.00 C ATOM 0 H LEU A 35 -16.517 -5.554 9.070 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.376 -5.621 8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.019 -4.416 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.708 -4.192 6.583 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.324 -3.249 9.113 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.835 -1.003 8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.786 -1.918 7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.518 -1.730 6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.472 -2.176 9.675 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.226 -2.956 8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.615 -3.948 9.610 1.00 0.00 H new ATOM 585 N ASN A 36 -17.370 -7.730 7.251 1.00 0.00 N ATOM 586 CA ASN A 36 -17.321 -8.944 6.443 1.00 0.00 C ATOM 587 C ASN A 36 -18.389 -9.906 6.950 1.00 0.00 C ATOM 588 O ASN A 36 -18.861 -10.789 6.232 1.00 0.00 O ATOM 589 CB ASN A 36 -15.937 -9.598 6.527 1.00 0.00 C ATOM 590 CG ASN A 36 -15.745 -10.711 5.513 1.00 0.00 C ATOM 591 OD1 ASN A 36 -16.244 -10.644 4.391 1.00 0.00 O ATOM 592 ND2 ASN A 36 -15.027 -11.750 5.906 1.00 0.00 N ATOM 0 H ASN A 36 -16.625 -7.653 7.943 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.508 -8.694 5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.172 -8.837 6.373 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.791 -9.999 7.530 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.871 -12.532 5.270 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.629 -11.769 6.845 1.00 0.00 H new ATOM 599 N GLU A 37 -18.754 -9.719 8.212 1.00 0.00 N ATOM 600 CA GLU A 37 -19.832 -10.477 8.831 1.00 0.00 C ATOM 601 C GLU A 37 -21.185 -9.835 8.522 1.00 0.00 C ATOM 602 O GLU A 37 -22.237 -10.433 8.742 1.00 0.00 O ATOM 603 CB GLU A 37 -19.624 -10.538 10.343 1.00 0.00 C ATOM 604 CG GLU A 37 -18.280 -11.116 10.756 1.00 0.00 C ATOM 605 CD GLU A 37 -18.081 -11.090 12.256 1.00 0.00 C ATOM 606 OE1 GLU A 37 -18.569 -12.010 12.939 1.00 0.00 O ATOM 607 OE2 GLU A 37 -17.455 -10.137 12.763 1.00 0.00 O ATOM 0 H GLU A 37 -18.313 -9.040 8.833 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.823 -11.488 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -19.718 -9.533 10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.419 -11.139 10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -18.203 -12.143 10.399 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.481 -10.551 10.276 1.00 0.00 H new ATOM 614 N ASN A 38 -21.146 -8.612 8.009 1.00 0.00 N ATOM 615 CA ASN A 38 -22.360 -7.866 7.690 1.00 0.00 C ATOM 616 C ASN A 38 -22.499 -7.684 6.183 1.00 0.00 C ATOM 617 O ASN A 38 -21.834 -6.837 5.589 1.00 0.00 O ATOM 618 CB ASN A 38 -22.350 -6.502 8.388 1.00 0.00 C ATOM 619 CG ASN A 38 -22.745 -6.586 9.852 1.00 0.00 C ATOM 620 OD1 ASN A 38 -23.556 -7.426 10.244 1.00 0.00 O ATOM 621 ND2 ASN A 38 -22.178 -5.714 10.670 1.00 0.00 N ATOM 0 H ASN A 38 -20.281 -8.111 7.803 1.00 0.00 H new ATOM 0 HA ASN A 38 -23.215 -8.437 8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.354 -6.066 8.310 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.034 -5.829 7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.408 -5.722 11.664 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.511 -5.033 10.307 1.00 0.00 H new ATOM 628 N PRO A 39 -23.383 -8.468 5.546 1.00 0.00 N ATOM 629 CA PRO A 39 -23.522 -8.509 4.080 1.00 0.00 C ATOM 630 C PRO A 39 -24.140 -7.245 3.472 1.00 0.00 C ATOM 631 O PRO A 39 -24.486 -7.229 2.290 1.00 0.00 O ATOM 632 CB PRO A 39 -24.443 -9.716 3.832 1.00 0.00 C ATOM 633 CG PRO A 39 -24.515 -10.440 5.135 1.00 0.00 C ATOM 634 CD PRO A 39 -24.314 -9.399 6.194 1.00 0.00 C ATOM 0 HA PRO A 39 -22.542 -8.582 3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.432 -9.394 3.507 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -24.044 -10.359 3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -25.478 -10.937 5.253 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -23.748 -11.212 5.196 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.250 -8.913 6.469 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -23.895 -9.823 7.107 1.00 0.00 H new ATOM 642 N TYR A 40 -24.263 -6.184 4.262 1.00 0.00 N ATOM 643 CA TYR A 40 -24.807 -4.924 3.755 1.00 0.00 C ATOM 644 C TYR A 40 -23.698 -4.115 3.107 1.00 0.00 C ATOM 645 O TYR A 40 -23.933 -3.035 2.568 1.00 0.00 O ATOM 646 CB TYR A 40 -25.427 -4.082 4.873 1.00 0.00 C ATOM 647 CG TYR A 40 -25.977 -4.884 6.019 1.00 0.00 C ATOM 648 CD1 TYR A 40 -27.135 -5.630 5.886 1.00 0.00 C ATOM 649 CD2 TYR A 40 -25.324 -4.892 7.241 1.00 0.00 C ATOM 650 CE1 TYR A 40 -27.630 -6.365 6.941 1.00 0.00 C ATOM 651 CE2 TYR A 40 -25.809 -5.621 8.301 1.00 0.00 C ATOM 652 CZ TYR A 40 -26.965 -6.360 8.148 1.00 0.00 C ATOM 653 OH TYR A 40 -27.452 -7.103 9.198 1.00 0.00 O ATOM 0 H TYR A 40 -23.997 -6.168 5.247 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.584 -5.171 3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -24.672 -3.394 5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -26.228 -3.474 4.453 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -27.658 -5.636 4.941 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -24.419 -4.316 7.363 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -28.535 -6.942 6.823 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -25.289 -5.616 9.247 1.00 0.00 H new ATOM 0 HH TYR A 40 -26.867 -6.992 9.976 1.00 0.00 H new ATOM 663 N PHE A 41 -22.486 -4.637 3.187 1.00 0.00 N ATOM 664 CA PHE A 41 -21.321 -3.945 2.678 1.00 0.00 C ATOM 665 C PHE A 41 -20.646 -4.746 1.579 1.00 0.00 C ATOM 666 O PHE A 41 -20.410 -5.947 1.724 1.00 0.00 O ATOM 667 CB PHE A 41 -20.312 -3.692 3.803 1.00 0.00 C ATOM 668 CG PHE A 41 -20.792 -2.749 4.871 1.00 0.00 C ATOM 669 CD1 PHE A 41 -21.623 -3.191 5.889 1.00 0.00 C ATOM 670 CD2 PHE A 41 -20.405 -1.419 4.858 1.00 0.00 C ATOM 671 CE1 PHE A 41 -22.058 -2.325 6.871 1.00 0.00 C ATOM 672 CE2 PHE A 41 -20.836 -0.549 5.839 1.00 0.00 C ATOM 673 CZ PHE A 41 -21.665 -1.000 6.846 1.00 0.00 C ATOM 0 H PHE A 41 -22.286 -5.546 3.604 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.659 -2.993 2.268 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -20.057 -4.645 4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.395 -3.293 3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -21.933 -4.225 5.914 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -19.759 -1.059 4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.705 -2.682 7.659 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.524 0.485 5.819 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.006 -0.320 7.612 1.00 0.00 H new ATOM 683 N ILE A 42 -20.354 -4.079 0.478 1.00 0.00 N ATOM 684 CA ILE A 42 -19.455 -4.626 -0.521 1.00 0.00 C ATOM 685 C ILE A 42 -18.068 -4.045 -0.295 1.00 0.00 C ATOM 686 O ILE A 42 -17.809 -2.873 -0.579 1.00 0.00 O ATOM 687 CB ILE A 42 -19.940 -4.339 -1.964 1.00 0.00 C ATOM 688 CG1 ILE A 42 -21.095 -5.279 -2.321 1.00 0.00 C ATOM 689 CG2 ILE A 42 -18.800 -4.478 -2.967 1.00 0.00 C ATOM 690 CD1 ILE A 42 -21.663 -5.054 -3.707 1.00 0.00 C ATOM 0 H ILE A 42 -20.727 -3.157 0.253 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.431 -5.710 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.294 -3.309 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -20.749 -6.310 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -21.892 -5.154 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.171 -4.271 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -18.009 -3.770 -2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.404 -5.493 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -22.476 -5.757 -3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -22.041 -4.035 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -20.881 -5.208 -4.450 1.00 0.00 H new ATOM 702 N LEU A 43 -17.196 -4.862 0.273 1.00 0.00 N ATOM 703 CA LEU A 43 -15.860 -4.425 0.641 1.00 0.00 C ATOM 704 C LEU A 43 -14.900 -4.620 -0.523 1.00 0.00 C ATOM 705 O LEU A 43 -15.197 -5.353 -1.470 1.00 0.00 O ATOM 706 CB LEU A 43 -15.358 -5.187 1.877 1.00 0.00 C ATOM 707 CG LEU A 43 -16.249 -5.086 3.123 1.00 0.00 C ATOM 708 CD1 LEU A 43 -17.367 -6.117 3.081 1.00 0.00 C ATOM 709 CD2 LEU A 43 -15.424 -5.245 4.387 1.00 0.00 C ATOM 0 H LEU A 43 -17.392 -5.839 0.490 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.904 -3.364 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.249 -6.239 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.365 -4.818 2.131 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.703 -4.095 3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.983 -6.023 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.983 -5.950 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.938 -7.118 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.075 -5.170 5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.935 -6.219 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.669 -4.460 4.430 1.00 0.00 H new ATOM 721 N THR A 44 -13.764 -3.949 -0.460 1.00 0.00 N ATOM 722 CA THR A 44 -12.776 -4.005 -1.521 1.00 0.00 C ATOM 723 C THR A 44 -11.374 -3.812 -0.941 1.00 0.00 C ATOM 724 O THR A 44 -11.213 -3.232 0.134 1.00 0.00 O ATOM 725 CB THR A 44 -13.065 -2.917 -2.584 1.00 0.00 C ATOM 726 OG1 THR A 44 -14.446 -2.973 -2.970 1.00 0.00 O ATOM 727 CG2 THR A 44 -12.194 -3.097 -3.822 1.00 0.00 C ATOM 0 H THR A 44 -13.501 -3.353 0.325 1.00 0.00 H new ATOM 0 HA THR A 44 -12.831 -4.983 -1.999 1.00 0.00 H new ATOM 0 HB THR A 44 -12.835 -1.949 -2.140 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.626 -2.282 -3.642 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.425 -2.315 -4.546 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.143 -3.032 -3.540 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.391 -4.073 -4.266 1.00 0.00 H new ATOM 735 N GLN A 45 -10.375 -4.337 -1.628 1.00 0.00 N ATOM 736 CA GLN A 45 -8.992 -4.134 -1.241 1.00 0.00 C ATOM 737 C GLN A 45 -8.217 -3.658 -2.460 1.00 0.00 C ATOM 738 O GLN A 45 -7.985 -4.424 -3.396 1.00 0.00 O ATOM 739 CB GLN A 45 -8.401 -5.440 -0.690 1.00 0.00 C ATOM 740 CG GLN A 45 -7.228 -5.262 0.272 1.00 0.00 C ATOM 741 CD GLN A 45 -5.980 -4.690 -0.376 1.00 0.00 C ATOM 742 OE1 GLN A 45 -5.763 -3.476 -0.384 1.00 0.00 O ATOM 743 NE2 GLN A 45 -5.152 -5.562 -0.927 1.00 0.00 N ATOM 0 H GLN A 45 -10.498 -4.911 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.926 -3.383 -0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.190 -5.991 -0.179 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.074 -6.055 -1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.535 -4.606 1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.985 -6.228 0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.368 -6.558 -0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.297 -5.238 -1.380 1.00 0.00 H new ATOM 752 N GLU A 46 -7.826 -2.395 -2.456 1.00 0.00 N ATOM 753 CA GLU A 46 -7.139 -1.818 -3.598 1.00 0.00 C ATOM 754 C GLU A 46 -5.646 -1.752 -3.318 1.00 0.00 C ATOM 755 O GLU A 46 -5.221 -1.223 -2.291 1.00 0.00 O ATOM 756 CB GLU A 46 -7.680 -0.416 -3.912 1.00 0.00 C ATOM 757 CG GLU A 46 -9.186 -0.373 -4.143 1.00 0.00 C ATOM 758 CD GLU A 46 -9.966 0.103 -2.928 1.00 0.00 C ATOM 759 OE1 GLU A 46 -9.670 -0.351 -1.801 1.00 0.00 O ATOM 760 OE2 GLU A 46 -10.879 0.942 -3.099 1.00 0.00 O ATOM 0 H GLU A 46 -7.972 -1.752 -1.678 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.316 -2.452 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.429 0.252 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.175 -0.033 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.399 0.286 -4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.533 -1.368 -4.422 1.00 0.00 H new ATOM 767 N LEU A 47 -4.861 -2.311 -4.234 1.00 0.00 N ATOM 768 CA LEU A 47 -3.423 -2.443 -4.043 1.00 0.00 C ATOM 769 C LEU A 47 -2.745 -1.084 -3.903 1.00 0.00 C ATOM 770 O LEU A 47 -2.605 -0.333 -4.871 1.00 0.00 O ATOM 771 CB LEU A 47 -2.798 -3.231 -5.197 1.00 0.00 C ATOM 772 CG LEU A 47 -3.324 -4.659 -5.366 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.648 -5.338 -6.544 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.110 -5.465 -4.094 1.00 0.00 C ATOM 0 H LEU A 47 -5.201 -2.682 -5.121 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.266 -2.990 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.969 -2.685 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.719 -3.273 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.395 -4.608 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.034 -6.352 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.853 -4.775 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.572 -5.375 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.491 -6.476 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.045 -5.507 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.640 -4.990 -3.269 1.00 0.00 H new ATOM 786 N ASN A 48 -2.354 -0.775 -2.680 1.00 0.00 N ATOM 787 CA ASN A 48 -1.606 0.433 -2.375 1.00 0.00 C ATOM 788 C ASN A 48 -0.534 0.081 -1.360 1.00 0.00 C ATOM 789 O ASN A 48 -0.790 -0.692 -0.435 1.00 0.00 O ATOM 790 CB ASN A 48 -2.535 1.526 -1.830 1.00 0.00 C ATOM 791 CG ASN A 48 -1.808 2.828 -1.526 1.00 0.00 C ATOM 792 OD1 ASN A 48 -1.360 3.057 -0.405 1.00 0.00 O ATOM 793 ND2 ASN A 48 -1.688 3.691 -2.523 1.00 0.00 N ATOM 0 H ASN A 48 -2.547 -1.358 -1.865 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.145 0.824 -3.282 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.325 1.719 -2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.018 1.165 -0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.211 4.580 -2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.073 3.467 -3.441 1.00 0.00 H new ATOM 800 N ASN A 49 0.662 0.610 -1.557 1.00 0.00 N ATOM 801 CA ASN A 49 1.805 0.245 -0.727 1.00 0.00 C ATOM 802 C ASN A 49 1.604 0.665 0.724 1.00 0.00 C ATOM 803 O ASN A 49 0.975 1.685 1.015 1.00 0.00 O ATOM 804 CB ASN A 49 3.096 0.852 -1.282 1.00 0.00 C ATOM 805 CG ASN A 49 3.105 2.368 -1.249 1.00 0.00 C ATOM 806 OD1 ASN A 49 3.541 2.974 -0.272 1.00 0.00 O ATOM 807 ND2 ASN A 49 2.649 2.989 -2.325 1.00 0.00 N ATOM 0 H ASN A 49 0.870 1.294 -2.284 1.00 0.00 H new ATOM 0 HA ASN A 49 1.890 -0.841 -0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.943 0.477 -0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.235 0.516 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.651 4.008 -2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.296 2.448 -3.115 1.00 0.00 H new ATOM 814 N GLN A 50 2.151 -0.140 1.624 1.00 0.00 N ATOM 815 CA GLN A 50 2.034 0.096 3.054 1.00 0.00 C ATOM 816 C GLN A 50 2.997 1.193 3.503 1.00 0.00 C ATOM 817 O GLN A 50 3.676 1.816 2.682 1.00 0.00 O ATOM 818 CB GLN A 50 2.323 -1.202 3.815 1.00 0.00 C ATOM 819 CG GLN A 50 1.322 -2.312 3.531 1.00 0.00 C ATOM 820 CD GLN A 50 -0.026 -2.065 4.178 1.00 0.00 C ATOM 821 OE1 GLN A 50 -0.905 -1.428 3.599 1.00 0.00 O ATOM 822 NE2 GLN A 50 -0.204 -2.582 5.384 1.00 0.00 N ATOM 0 H GLN A 50 2.687 -0.973 1.383 1.00 0.00 H new ATOM 0 HA GLN A 50 1.018 0.425 3.272 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.322 -1.551 3.555 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.327 -0.993 4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.190 -2.410 2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.725 -3.259 3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.549 -3.104 5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.095 -2.458 5.866 1.00 0.00 H new ATOM 831 N LYS A 51 3.057 1.426 4.806 1.00 0.00 N ATOM 832 CA LYS A 51 3.942 2.440 5.350 1.00 0.00 C ATOM 833 C LYS A 51 5.386 1.941 5.306 1.00 0.00 C ATOM 834 O LYS A 51 5.632 0.735 5.244 1.00 0.00 O ATOM 835 CB LYS A 51 3.514 2.807 6.776 1.00 0.00 C ATOM 836 CG LYS A 51 4.185 4.060 7.322 1.00 0.00 C ATOM 837 CD LYS A 51 3.345 4.717 8.409 1.00 0.00 C ATOM 838 CE LYS A 51 1.999 5.176 7.865 1.00 0.00 C ATOM 839 NZ LYS A 51 1.205 5.917 8.878 1.00 0.00 N ATOM 0 H LYS A 51 2.504 0.927 5.503 1.00 0.00 H new ATOM 0 HA LYS A 51 3.878 3.344 4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.433 2.949 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.737 1.970 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.165 3.803 7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.349 4.769 6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.189 4.013 9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.883 5.570 8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.159 5.813 6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.432 4.309 7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.298 6.209 8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.028 5.302 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.733 6.759 9.184 1.00 0.00 H new ATOM 853 N ASP A 52 6.328 2.872 5.322 1.00 0.00 N ATOM 854 CA ASP A 52 7.737 2.548 5.125 1.00 0.00 C ATOM 855 C ASP A 52 8.362 1.902 6.363 1.00 0.00 C ATOM 856 O ASP A 52 7.670 1.602 7.338 1.00 0.00 O ATOM 857 CB ASP A 52 8.514 3.803 4.729 1.00 0.00 C ATOM 858 CG ASP A 52 8.122 4.317 3.358 1.00 0.00 C ATOM 859 OD1 ASP A 52 8.707 3.857 2.354 1.00 0.00 O ATOM 860 OD2 ASP A 52 7.227 5.188 3.272 1.00 0.00 O ATOM 0 H ASP A 52 6.143 3.864 5.470 1.00 0.00 H new ATOM 0 HA ASP A 52 7.794 1.817 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.340 4.583 5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.582 3.585 4.740 1.00 0.00 H new ATOM 865 N ASP A 53 9.680 1.709 6.305 1.00 0.00 N ATOM 866 CA ASP A 53 10.418 0.944 7.313 1.00 0.00 C ATOM 867 C ASP A 53 10.198 1.480 8.723 1.00 0.00 C ATOM 868 O ASP A 53 10.420 2.662 8.994 1.00 0.00 O ATOM 869 CB ASP A 53 11.919 0.944 7.009 1.00 0.00 C ATOM 870 CG ASP A 53 12.259 0.269 5.696 1.00 0.00 C ATOM 871 OD1 ASP A 53 12.091 -0.962 5.588 1.00 0.00 O ATOM 872 OD2 ASP A 53 12.713 0.969 4.768 1.00 0.00 O ATOM 0 H ASP A 53 10.267 2.079 5.558 1.00 0.00 H new ATOM 0 HA ASP A 53 10.031 -0.074 7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.279 1.973 6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.448 0.439 7.818 1.00 0.00 H new ATOM 877 N PRO A 54 9.785 0.596 9.646 1.00 0.00 N ATOM 878 CA PRO A 54 9.551 0.949 11.050 1.00 0.00 C ATOM 879 C PRO A 54 10.851 1.069 11.847 1.00 0.00 C ATOM 880 O PRO A 54 10.965 0.540 12.948 1.00 0.00 O ATOM 881 CB PRO A 54 8.713 -0.222 11.562 1.00 0.00 C ATOM 882 CG PRO A 54 9.145 -1.383 10.737 1.00 0.00 C ATOM 883 CD PRO A 54 9.498 -0.828 9.382 1.00 0.00 C ATOM 0 HA PRO A 54 9.068 1.921 11.156 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.890 -0.402 12.622 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.647 -0.027 11.445 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.002 -1.883 11.188 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.348 -2.123 10.659 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.362 -1.337 8.954 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.676 -0.946 8.675 1.00 0.00 H new ATOM 891 N ILE A 55 11.820 1.775 11.277 1.00 0.00 N ATOM 892 CA ILE A 55 13.109 2.007 11.926 1.00 0.00 C ATOM 893 C ILE A 55 13.899 3.038 11.114 1.00 0.00 C ATOM 894 O ILE A 55 15.118 3.162 11.213 1.00 0.00 O ATOM 895 CB ILE A 55 13.903 0.685 12.067 1.00 0.00 C ATOM 896 CG1 ILE A 55 15.126 0.873 12.972 1.00 0.00 C ATOM 897 CG2 ILE A 55 14.322 0.152 10.701 1.00 0.00 C ATOM 898 CD1 ILE A 55 14.785 1.360 14.366 1.00 0.00 C ATOM 0 H ILE A 55 11.737 2.203 10.355 1.00 0.00 H new ATOM 0 HA ILE A 55 12.942 2.393 12.931 1.00 0.00 H new ATOM 0 HB ILE A 55 13.246 -0.050 12.532 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.659 -0.075 13.048 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.806 1.585 12.505 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.878 -0.777 10.828 1.00 0.00 H new ATOM 0 HG22 ILE A 55 13.435 -0.036 10.096 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.953 0.887 10.201 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.701 1.469 14.947 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.279 2.323 14.301 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.130 0.638 14.853 1.00 0.00 H new ATOM 910 N ASN A 56 13.156 3.813 10.348 1.00 0.00 N ATOM 911 CA ASN A 56 13.733 4.767 9.406 1.00 0.00 C ATOM 912 C ASN A 56 12.704 5.839 9.066 1.00 0.00 C ATOM 913 O ASN A 56 11.812 5.616 8.252 1.00 0.00 O ATOM 914 CB ASN A 56 14.196 4.038 8.134 1.00 0.00 C ATOM 915 CG ASN A 56 14.789 4.962 7.079 1.00 0.00 C ATOM 916 OD1 ASN A 56 14.694 4.696 5.881 1.00 0.00 O ATOM 917 ND2 ASN A 56 15.419 6.043 7.507 1.00 0.00 N ATOM 0 H ASN A 56 12.136 3.803 10.357 1.00 0.00 H new ATOM 0 HA ASN A 56 14.600 5.245 9.862 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.939 3.288 8.406 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.348 3.505 7.703 1.00 0.00 H new ATOM 0 HD21 ASN A 56 15.844 6.685 6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.480 6.235 8.507 1.00 0.00 H new ATOM 924 N TYR A 57 12.814 6.986 9.722 1.00 0.00 N ATOM 925 CA TYR A 57 11.853 8.071 9.541 1.00 0.00 C ATOM 926 C TYR A 57 12.567 9.419 9.517 1.00 0.00 C ATOM 927 O TYR A 57 13.794 9.478 9.539 1.00 0.00 O ATOM 928 CB TYR A 57 10.816 8.063 10.672 1.00 0.00 C ATOM 929 CG TYR A 57 9.981 6.802 10.740 1.00 0.00 C ATOM 930 CD1 TYR A 57 8.800 6.692 10.019 1.00 0.00 C ATOM 931 CD2 TYR A 57 10.375 5.721 11.523 1.00 0.00 C ATOM 932 CE1 TYR A 57 8.033 5.545 10.072 1.00 0.00 C ATOM 933 CE2 TYR A 57 9.614 4.570 11.580 1.00 0.00 C ATOM 934 CZ TYR A 57 8.443 4.488 10.854 1.00 0.00 C ATOM 935 OH TYR A 57 7.682 3.343 10.906 1.00 0.00 O ATOM 0 H TYR A 57 13.560 7.192 10.386 1.00 0.00 H new ATOM 0 HA TYR A 57 11.346 7.918 8.588 1.00 0.00 H new ATOM 0 HB2 TYR A 57 11.331 8.196 11.623 1.00 0.00 H new ATOM 0 HB3 TYR A 57 10.152 8.919 10.547 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.475 7.519 9.405 1.00 0.00 H new ATOM 0 HD2 TYR A 57 11.289 5.783 12.094 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.117 5.477 9.504 1.00 0.00 H new ATOM 0 HE2 TYR A 57 9.934 3.738 12.190 1.00 0.00 H new ATOM 0 HH TYR A 57 7.209 3.225 10.056 1.00 0.00 H new ATOM 945 N THR A 58 11.796 10.494 9.468 1.00 0.00 N ATOM 946 CA THR A 58 12.350 11.836 9.548 1.00 0.00 C ATOM 947 C THR A 58 12.651 12.175 11.000 1.00 0.00 C ATOM 948 O THR A 58 11.799 11.994 11.862 1.00 0.00 O ATOM 949 CB THR A 58 11.370 12.869 8.964 1.00 0.00 C ATOM 950 OG1 THR A 58 10.745 12.336 7.787 1.00 0.00 O ATOM 951 CG2 THR A 58 12.088 14.166 8.620 1.00 0.00 C ATOM 0 H THR A 58 10.781 10.463 9.373 1.00 0.00 H new ATOM 0 HA THR A 58 13.270 11.868 8.964 1.00 0.00 H new ATOM 0 HB THR A 58 10.611 13.084 9.716 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.951 11.821 8.043 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.374 14.879 8.209 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.539 14.582 9.521 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.866 13.967 7.883 1.00 0.00 H new ATOM 959 N GLU A 59 13.861 12.646 11.284 1.00 0.00 N ATOM 960 CA GLU A 59 14.219 12.990 12.654 1.00 0.00 C ATOM 961 C GLU A 59 13.350 14.131 13.171 1.00 0.00 C ATOM 962 O GLU A 59 12.903 14.108 14.315 1.00 0.00 O ATOM 963 CB GLU A 59 15.719 13.308 12.792 1.00 0.00 C ATOM 964 CG GLU A 59 16.348 14.047 11.612 1.00 0.00 C ATOM 965 CD GLU A 59 15.856 15.470 11.463 1.00 0.00 C ATOM 966 OE1 GLU A 59 16.279 16.339 12.255 1.00 0.00 O ATOM 967 OE2 GLU A 59 15.032 15.719 10.555 1.00 0.00 O ATOM 0 H GLU A 59 14.599 12.796 10.596 1.00 0.00 H new ATOM 0 HA GLU A 59 14.026 12.116 13.276 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.864 13.906 13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.258 12.373 12.941 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.431 14.056 11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.135 13.499 10.694 1.00 0.00 H new ATOM 974 N SER A 60 13.080 15.105 12.311 1.00 0.00 N ATOM 975 CA SER A 60 12.171 16.189 12.643 1.00 0.00 C ATOM 976 C SER A 60 10.761 15.644 12.841 1.00 0.00 C ATOM 977 O SER A 60 9.980 16.178 13.629 1.00 0.00 O ATOM 978 CB SER A 60 12.186 17.246 11.538 1.00 0.00 C ATOM 979 OG SER A 60 13.496 17.761 11.347 1.00 0.00 O ATOM 0 H SER A 60 13.481 15.164 11.375 1.00 0.00 H new ATOM 0 HA SER A 60 12.499 16.655 13.572 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.823 16.810 10.607 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.506 18.058 11.796 1.00 0.00 H new ATOM 0 HG SER A 60 14.015 17.138 10.796 1.00 0.00 H new ATOM 985 N GLU A 61 10.455 14.553 12.143 1.00 0.00 N ATOM 986 CA GLU A 61 9.157 13.909 12.272 1.00 0.00 C ATOM 987 C GLU A 61 9.090 13.114 13.575 1.00 0.00 C ATOM 988 O GLU A 61 8.069 13.107 14.263 1.00 0.00 O ATOM 989 CB GLU A 61 8.920 13.008 11.059 1.00 0.00 C ATOM 990 CG GLU A 61 7.699 12.114 11.151 1.00 0.00 C ATOM 991 CD GLU A 61 7.445 11.376 9.852 1.00 0.00 C ATOM 992 OE1 GLU A 61 8.407 10.827 9.272 1.00 0.00 O ATOM 993 OE2 GLU A 61 6.286 11.379 9.384 1.00 0.00 O ATOM 0 H GLU A 61 11.089 14.100 11.485 1.00 0.00 H new ATOM 0 HA GLU A 61 8.372 14.664 12.305 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.826 13.635 10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.800 12.381 10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.835 11.394 11.958 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.826 12.715 11.405 1.00 0.00 H new ATOM 1000 N LEU A 62 10.201 12.471 13.917 1.00 0.00 N ATOM 1001 CA LEU A 62 10.304 11.687 15.141 1.00 0.00 C ATOM 1002 C LEU A 62 10.331 12.585 16.371 1.00 0.00 C ATOM 1003 O LEU A 62 9.921 12.172 17.458 1.00 0.00 O ATOM 1004 CB LEU A 62 11.557 10.811 15.106 1.00 0.00 C ATOM 1005 CG LEU A 62 11.549 9.713 14.043 1.00 0.00 C ATOM 1006 CD1 LEU A 62 12.890 9.003 14.007 1.00 0.00 C ATOM 1007 CD2 LEU A 62 10.428 8.720 14.315 1.00 0.00 C ATOM 0 H LEU A 62 11.052 12.479 13.355 1.00 0.00 H new ATOM 0 HA LEU A 62 9.423 11.049 15.205 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.424 11.450 14.940 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.685 10.348 16.084 1.00 0.00 H new ATOM 0 HG LEU A 62 11.375 10.173 13.070 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.869 8.224 13.245 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.675 9.721 13.770 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.090 8.554 14.980 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.435 7.944 13.549 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.575 8.265 15.294 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.470 9.239 14.296 1.00 0.00 H new ATOM 1019 N LYS A 63 10.818 13.810 16.196 1.00 0.00 N ATOM 1020 CA LYS A 63 10.820 14.798 17.270 1.00 0.00 C ATOM 1021 C LYS A 63 9.421 15.380 17.467 1.00 0.00 C ATOM 1022 O LYS A 63 9.199 16.216 18.341 1.00 0.00 O ATOM 1023 CB LYS A 63 11.846 15.906 16.991 1.00 0.00 C ATOM 1024 CG LYS A 63 13.277 15.464 17.266 1.00 0.00 C ATOM 1025 CD LYS A 63 14.311 16.514 16.879 1.00 0.00 C ATOM 1026 CE LYS A 63 14.425 16.661 15.366 1.00 0.00 C ATOM 1027 NZ LYS A 63 15.623 17.443 14.957 1.00 0.00 N ATOM 0 H LYS A 63 11.217 14.143 15.318 1.00 0.00 H new ATOM 0 HA LYS A 63 11.112 14.299 18.194 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.761 16.221 15.951 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.613 16.775 17.607 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.382 15.232 18.326 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.479 14.544 16.717 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.038 17.473 17.318 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.281 16.239 17.292 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.468 15.672 14.911 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.529 17.149 14.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.940 17.127 14.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.381 18.454 14.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.386 17.295 15.648 1.00 0.00 H new ATOM 1041 N GLY A 64 8.487 14.925 16.643 1.00 0.00 N ATOM 1042 CA GLY A 64 7.092 15.266 16.825 1.00 0.00 C ATOM 1043 C GLY A 64 6.267 14.026 17.103 1.00 0.00 C ATOM 1044 O GLY A 64 5.074 13.975 16.805 1.00 0.00 O ATOM 0 H GLY A 64 8.675 14.320 15.844 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.990 15.969 17.652 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.716 15.766 15.933 1.00 0.00 H new ATOM 1048 N MET A 65 6.922 13.016 17.662 1.00 0.00 N ATOM 1049 CA MET A 65 6.280 11.744 17.969 1.00 0.00 C ATOM 1050 C MET A 65 6.344 11.463 19.465 1.00 0.00 C ATOM 1051 O MET A 65 7.165 12.043 20.176 1.00 0.00 O ATOM 1052 CB MET A 65 6.953 10.600 17.205 1.00 0.00 C ATOM 1053 CG MET A 65 6.767 10.652 15.696 1.00 0.00 C ATOM 1054 SD MET A 65 5.047 10.465 15.192 1.00 0.00 S ATOM 1055 CE MET A 65 5.218 10.418 13.409 1.00 0.00 C ATOM 0 H MET A 65 7.909 13.055 17.915 1.00 0.00 H new ATOM 0 HA MET A 65 5.237 11.810 17.661 1.00 0.00 H new ATOM 0 HB2 MET A 65 8.020 10.610 17.427 1.00 0.00 H new ATOM 0 HB3 MET A 65 6.560 9.653 17.574 1.00 0.00 H new ATOM 0 HG2 MET A 65 7.149 11.602 15.321 1.00 0.00 H new ATOM 0 HG3 MET A 65 7.363 9.864 15.235 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.235 10.305 12.952 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.675 11.345 13.063 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.849 9.575 13.126 1.00 0.00 H new ATOM 1065 N ASN A 66 5.493 10.556 19.926 1.00 0.00 N ATOM 1066 CA ASN A 66 5.428 10.206 21.342 1.00 0.00 C ATOM 1067 C ASN A 66 6.352 9.029 21.644 1.00 0.00 C ATOM 1068 O ASN A 66 7.177 8.644 20.812 1.00 0.00 O ATOM 1069 CB ASN A 66 3.993 9.845 21.738 1.00 0.00 C ATOM 1070 CG ASN A 66 2.986 10.901 21.332 1.00 0.00 C ATOM 1071 OD1 ASN A 66 2.685 11.820 22.093 1.00 0.00 O ATOM 1072 ND2 ASN A 66 2.467 10.783 20.120 1.00 0.00 N ATOM 0 H ASN A 66 4.834 10.046 19.338 1.00 0.00 H new ATOM 0 HA ASN A 66 5.752 11.071 21.921 1.00 0.00 H new ATOM 0 HB2 ASN A 66 3.722 8.895 21.276 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.945 9.700 22.817 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.791 11.469 19.786 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.744 10.006 19.520 1.00 0.00 H new ATOM 1079 N LYS A 67 6.210 8.446 22.828 1.00 0.00 N ATOM 1080 CA LYS A 67 7.082 7.353 23.241 1.00 0.00 C ATOM 1081 C LYS A 67 6.648 6.028 22.608 1.00 0.00 C ATOM 1082 O LYS A 67 7.492 5.207 22.242 1.00 0.00 O ATOM 1083 CB LYS A 67 7.105 7.219 24.771 1.00 0.00 C ATOM 1084 CG LYS A 67 5.803 6.701 25.368 1.00 0.00 C ATOM 1085 CD LYS A 67 5.921 6.458 26.864 1.00 0.00 C ATOM 1086 CE LYS A 67 5.907 7.756 27.654 1.00 0.00 C ATOM 1087 NZ LYS A 67 4.596 8.455 27.552 1.00 0.00 N ATOM 0 H LYS A 67 5.504 8.709 23.515 1.00 0.00 H new ATOM 0 HA LYS A 67 8.088 7.588 22.893 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.915 6.547 25.054 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.331 8.192 25.207 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.006 7.420 25.179 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.520 5.773 24.871 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.098 5.824 27.194 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.844 5.917 27.072 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.126 7.546 28.701 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.697 8.412 27.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.513 9.151 28.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.533 8.942 26.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.826 7.761 27.629 1.00 0.00 H new ATOM 1101 N ALA A 68 5.338 5.852 22.451 1.00 0.00 N ATOM 1102 CA ALA A 68 4.767 4.575 22.024 1.00 0.00 C ATOM 1103 C ALA A 68 5.246 4.171 20.635 1.00 0.00 C ATOM 1104 O ALA A 68 5.684 3.036 20.422 1.00 0.00 O ATOM 1105 CB ALA A 68 3.248 4.644 22.056 1.00 0.00 C ATOM 0 H ALA A 68 4.646 6.584 22.614 1.00 0.00 H new ATOM 0 HA ALA A 68 5.110 3.812 22.723 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.834 3.688 21.736 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.915 4.863 23.071 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.905 5.431 21.384 1.00 0.00 H new ATOM 1111 N GLU A 69 5.160 5.098 19.695 1.00 0.00 N ATOM 1112 CA GLU A 69 5.600 4.848 18.334 1.00 0.00 C ATOM 1113 C GLU A 69 7.099 4.566 18.293 1.00 0.00 C ATOM 1114 O GLU A 69 7.526 3.596 17.679 1.00 0.00 O ATOM 1115 CB GLU A 69 5.231 6.016 17.402 1.00 0.00 C ATOM 1116 CG GLU A 69 5.473 7.403 17.985 1.00 0.00 C ATOM 1117 CD GLU A 69 4.293 7.932 18.786 1.00 0.00 C ATOM 1118 OE1 GLU A 69 4.008 7.388 19.869 1.00 0.00 O ATOM 1119 OE2 GLU A 69 3.664 8.918 18.352 1.00 0.00 O ATOM 0 H GLU A 69 4.787 6.035 19.852 1.00 0.00 H new ATOM 0 HA GLU A 69 5.078 3.962 17.972 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.804 5.921 16.480 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.178 5.929 17.134 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.354 7.372 18.626 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.694 8.097 17.174 1.00 0.00 H new ATOM 1126 N HIS A 70 7.893 5.396 18.977 1.00 0.00 N ATOM 1127 CA HIS A 70 9.336 5.182 19.066 1.00 0.00 C ATOM 1128 C HIS A 70 9.652 3.791 19.606 1.00 0.00 C ATOM 1129 O HIS A 70 10.560 3.122 19.117 1.00 0.00 O ATOM 1130 CB HIS A 70 9.997 6.239 19.957 1.00 0.00 C ATOM 1131 CG HIS A 70 10.248 7.551 19.277 1.00 0.00 C ATOM 1132 ND1 HIS A 70 11.513 7.992 18.950 1.00 0.00 N ATOM 1133 CD2 HIS A 70 9.400 8.529 18.884 1.00 0.00 C ATOM 1134 CE1 HIS A 70 11.429 9.186 18.393 1.00 0.00 C ATOM 1135 NE2 HIS A 70 10.159 9.536 18.339 1.00 0.00 N ATOM 0 H HIS A 70 7.559 6.221 19.476 1.00 0.00 H new ATOM 0 HA HIS A 70 9.738 5.269 18.057 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.364 6.410 20.828 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.945 5.846 20.324 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.324 8.520 18.981 1.00 0.00 H new ATOM 0 HE1 HIS A 70 12.261 9.777 18.041 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.799 10.410 17.956 1.00 0.00 H new ATOM 1144 N GLU A 71 8.898 3.362 20.612 1.00 0.00 N ATOM 1145 CA GLU A 71 9.091 2.042 21.192 1.00 0.00 C ATOM 1146 C GLU A 71 8.752 0.951 20.188 1.00 0.00 C ATOM 1147 O GLU A 71 9.547 0.040 19.964 1.00 0.00 O ATOM 1148 CB GLU A 71 8.254 1.871 22.460 1.00 0.00 C ATOM 1149 CG GLU A 71 8.839 2.579 23.668 1.00 0.00 C ATOM 1150 CD GLU A 71 8.033 2.346 24.927 1.00 0.00 C ATOM 1151 OE1 GLU A 71 7.853 1.171 25.312 1.00 0.00 O ATOM 1152 OE2 GLU A 71 7.592 3.336 25.547 1.00 0.00 O ATOM 0 H GLU A 71 8.151 3.908 21.040 1.00 0.00 H new ATOM 0 HA GLU A 71 10.144 1.951 21.460 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.249 2.251 22.277 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.158 0.808 22.682 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.861 2.235 23.827 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.891 3.649 23.467 1.00 0.00 H new ATOM 1159 N SER A 72 7.582 1.061 19.572 1.00 0.00 N ATOM 1160 CA SER A 72 7.136 0.083 18.586 1.00 0.00 C ATOM 1161 C SER A 72 8.132 -0.012 17.425 1.00 0.00 C ATOM 1162 O SER A 72 8.406 -1.097 16.915 1.00 0.00 O ATOM 1163 CB SER A 72 5.745 0.462 18.074 1.00 0.00 C ATOM 1164 OG SER A 72 4.837 0.627 19.156 1.00 0.00 O ATOM 0 H SER A 72 6.922 1.821 19.738 1.00 0.00 H new ATOM 0 HA SER A 72 7.083 -0.896 19.062 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.804 1.386 17.498 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.377 -0.311 17.399 1.00 0.00 H new ATOM 0 HG SER A 72 5.001 1.489 19.592 1.00 0.00 H new ATOM 1170 N ILE A 73 8.681 1.133 17.036 1.00 0.00 N ATOM 1171 CA ILE A 73 9.692 1.199 15.989 1.00 0.00 C ATOM 1172 C ILE A 73 10.875 0.275 16.295 1.00 0.00 C ATOM 1173 O ILE A 73 11.141 -0.690 15.568 1.00 0.00 O ATOM 1174 CB ILE A 73 10.197 2.657 15.818 1.00 0.00 C ATOM 1175 CG1 ILE A 73 9.119 3.521 15.160 1.00 0.00 C ATOM 1176 CG2 ILE A 73 11.487 2.714 15.009 1.00 0.00 C ATOM 1177 CD1 ILE A 73 9.465 4.994 15.116 1.00 0.00 C ATOM 0 H ILE A 73 8.438 2.039 17.437 1.00 0.00 H new ATOM 0 HA ILE A 73 9.228 0.865 15.061 1.00 0.00 H new ATOM 0 HB ILE A 73 10.411 3.051 16.812 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.951 3.165 14.143 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.182 3.393 15.702 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.809 3.751 14.911 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.261 2.140 15.518 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.314 2.292 14.019 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.655 5.544 14.636 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.604 5.366 16.131 1.00 0.00 H new ATOM 0 HD13 ILE A 73 10.385 5.135 14.549 1.00 0.00 H new ATOM 1189 N ILE A 74 11.560 0.538 17.393 1.00 0.00 N ATOM 1190 CA ILE A 74 12.809 -0.150 17.659 1.00 0.00 C ATOM 1191 C ILE A 74 12.581 -1.556 18.212 1.00 0.00 C ATOM 1192 O ILE A 74 13.456 -2.416 18.115 1.00 0.00 O ATOM 1193 CB ILE A 74 13.720 0.648 18.608 1.00 0.00 C ATOM 1194 CG1 ILE A 74 13.516 2.156 18.418 1.00 0.00 C ATOM 1195 CG2 ILE A 74 15.162 0.285 18.314 1.00 0.00 C ATOM 1196 CD1 ILE A 74 14.367 3.010 19.336 1.00 0.00 C ATOM 0 H ILE A 74 11.278 1.212 18.105 1.00 0.00 H new ATOM 0 HA ILE A 74 13.315 -0.238 16.697 1.00 0.00 H new ATOM 0 HB ILE A 74 13.470 0.399 19.640 1.00 0.00 H new ATOM 0 HG12 ILE A 74 13.741 2.416 17.384 1.00 0.00 H new ATOM 0 HG13 ILE A 74 12.466 2.395 18.585 1.00 0.00 H new ATOM 0 HG21 ILE A 74 15.821 0.843 18.979 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.308 -0.784 18.472 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.396 0.534 17.279 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.167 4.064 19.142 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.126 2.780 20.374 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.421 2.801 19.153 1.00 0.00 H new ATOM 1208 N SER A 75 11.402 -1.803 18.772 1.00 0.00 N ATOM 1209 CA SER A 75 11.066 -3.147 19.231 1.00 0.00 C ATOM 1210 C SER A 75 10.841 -4.061 18.031 1.00 0.00 C ATOM 1211 O SER A 75 11.010 -5.279 18.123 1.00 0.00 O ATOM 1212 CB SER A 75 9.836 -3.126 20.143 1.00 0.00 C ATOM 1213 OG SER A 75 8.756 -2.447 19.534 1.00 0.00 O ATOM 0 H SER A 75 10.674 -1.104 18.918 1.00 0.00 H new ATOM 0 HA SER A 75 11.900 -3.535 19.816 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.539 -4.148 20.380 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.088 -2.641 21.086 1.00 0.00 H new ATOM 0 HG SER A 75 8.887 -1.480 19.622 1.00 0.00 H new ATOM 1219 N ASN A 76 10.462 -3.470 16.901 1.00 0.00 N ATOM 1220 CA ASN A 76 10.374 -4.209 15.650 1.00 0.00 C ATOM 1221 C ASN A 76 11.766 -4.442 15.081 1.00 0.00 C ATOM 1222 O ASN A 76 12.022 -5.468 14.446 1.00 0.00 O ATOM 1223 CB ASN A 76 9.502 -3.477 14.629 1.00 0.00 C ATOM 1224 CG ASN A 76 8.023 -3.609 14.929 1.00 0.00 C ATOM 1225 OD1 ASN A 76 7.580 -4.601 15.508 1.00 0.00 O ATOM 1226 ND2 ASN A 76 7.247 -2.614 14.532 1.00 0.00 N ATOM 0 H ASN A 76 10.212 -2.484 16.828 1.00 0.00 H new ATOM 0 HA ASN A 76 9.906 -5.171 15.860 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.774 -2.422 14.614 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.704 -3.872 13.633 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.242 -2.652 14.703 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.654 -1.809 14.055 1.00 0.00 H new ATOM 1233 N LEU A 77 12.661 -3.488 15.304 1.00 0.00 N ATOM 1234 CA LEU A 77 14.062 -3.636 14.910 1.00 0.00 C ATOM 1235 C LEU A 77 14.713 -4.805 15.654 1.00 0.00 C ATOM 1236 O LEU A 77 15.527 -5.541 15.095 1.00 0.00 O ATOM 1237 CB LEU A 77 14.841 -2.356 15.179 1.00 0.00 C ATOM 1238 CG LEU A 77 16.338 -2.428 14.867 1.00 0.00 C ATOM 1239 CD1 LEU A 77 16.570 -2.529 13.367 1.00 0.00 C ATOM 1240 CD2 LEU A 77 17.066 -1.229 15.447 1.00 0.00 C ATOM 0 H LEU A 77 12.444 -2.600 15.757 1.00 0.00 H new ATOM 0 HA LEU A 77 14.086 -3.841 13.840 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.401 -1.551 14.590 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.717 -2.087 16.228 1.00 0.00 H new ATOM 0 HG LEU A 77 16.741 -3.327 15.334 1.00 0.00 H new ATOM 0 HD11 LEU A 77 17.640 -2.579 13.167 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.087 -3.428 12.984 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.149 -1.653 12.874 1.00 0.00 H new ATOM 0 HD21 LEU A 77 18.128 -1.300 15.214 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.661 -0.314 15.016 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.933 -1.211 16.529 1.00 0.00 H new ATOM 1252 N GLY A 78 14.366 -4.956 16.925 1.00 0.00 N ATOM 1253 CA GLY A 78 14.911 -6.041 17.714 1.00 0.00 C ATOM 1254 C GLY A 78 15.463 -5.564 19.039 1.00 0.00 C ATOM 1255 O GLY A 78 15.188 -6.157 20.084 1.00 0.00 O ATOM 0 H GLY A 78 13.717 -4.347 17.423 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.134 -6.784 17.893 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.702 -6.536 17.150 1.00 0.00 H new ATOM 1259 N ARG A 79 16.248 -4.494 19.005 1.00 0.00 N ATOM 1260 CA ARG A 79 16.806 -3.933 20.227 1.00 0.00 C ATOM 1261 C ARG A 79 15.741 -3.132 20.958 1.00 0.00 C ATOM 1262 O ARG A 79 15.295 -2.088 20.486 1.00 0.00 O ATOM 1263 CB ARG A 79 18.035 -3.067 19.935 1.00 0.00 C ATOM 1264 CG ARG A 79 18.670 -2.477 21.187 1.00 0.00 C ATOM 1265 CD ARG A 79 20.062 -1.935 20.906 1.00 0.00 C ATOM 1266 NE ARG A 79 20.659 -1.304 22.081 1.00 0.00 N ATOM 1267 CZ ARG A 79 21.475 -1.929 22.929 1.00 0.00 C ATOM 1268 NH1 ARG A 79 21.766 -3.214 22.755 1.00 0.00 N ATOM 1269 NH2 ARG A 79 21.994 -1.270 23.956 1.00 0.00 N ATOM 0 H ARG A 79 16.510 -4.001 18.151 1.00 0.00 H new ATOM 0 HA ARG A 79 17.133 -4.754 20.865 1.00 0.00 H new ATOM 0 HB2 ARG A 79 18.777 -3.668 19.409 1.00 0.00 H new ATOM 0 HB3 ARG A 79 17.748 -2.256 19.265 1.00 0.00 H new ATOM 0 HG2 ARG A 79 18.039 -1.677 21.573 1.00 0.00 H new ATOM 0 HG3 ARG A 79 18.726 -3.241 21.962 1.00 0.00 H new ATOM 0 HD2 ARG A 79 20.704 -2.748 20.567 1.00 0.00 H new ATOM 0 HD3 ARG A 79 20.010 -1.210 20.094 1.00 0.00 H new ATOM 0 HE ARG A 79 20.438 -0.325 22.263 1.00 0.00 H new ATOM 0 HH11 ARG A 79 21.364 -3.726 21.970 1.00 0.00 H new ATOM 0 HH12 ARG A 79 22.391 -3.688 23.407 1.00 0.00 H new ATOM 0 HH21 ARG A 79 21.769 -0.285 24.097 1.00 0.00 H new ATOM 0 HH22 ARG A 79 22.619 -1.748 24.605 1.00 0.00 H new ATOM 1283 N ASN A 80 15.335 -3.650 22.103 1.00 0.00 N ATOM 1284 CA ASN A 80 14.248 -3.072 22.881 1.00 0.00 C ATOM 1285 C ASN A 80 14.593 -1.656 23.340 1.00 0.00 C ATOM 1286 O ASN A 80 15.675 -1.401 23.874 1.00 0.00 O ATOM 1287 CB ASN A 80 13.921 -3.974 24.082 1.00 0.00 C ATOM 1288 CG ASN A 80 15.004 -3.966 25.145 1.00 0.00 C ATOM 1289 OD1 ASN A 80 16.033 -4.629 25.008 1.00 0.00 O ATOM 1290 ND2 ASN A 80 14.760 -3.254 26.232 1.00 0.00 N ATOM 0 H ASN A 80 15.748 -4.483 22.522 1.00 0.00 H new ATOM 0 HA ASN A 80 13.365 -3.006 22.245 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.981 -3.649 24.527 1.00 0.00 H new ATOM 0 HB3 ASN A 80 13.772 -4.995 23.732 1.00 0.00 H new ATOM 0 HD21 ASN A 80 15.436 -3.241 26.995 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.895 -2.718 26.307 1.00 0.00 H new ATOM 1297 N PRO A 81 13.673 -0.712 23.117 1.00 0.00 N ATOM 1298 CA PRO A 81 13.870 0.694 23.457 1.00 0.00 C ATOM 1299 C PRO A 81 13.481 1.012 24.898 1.00 0.00 C ATOM 1300 O PRO A 81 13.151 2.150 25.224 1.00 0.00 O ATOM 1301 CB PRO A 81 12.930 1.393 22.481 1.00 0.00 C ATOM 1302 CG PRO A 81 11.796 0.441 22.311 1.00 0.00 C ATOM 1303 CD PRO A 81 12.359 -0.943 22.493 1.00 0.00 C ATOM 0 HA PRO A 81 14.913 1.001 23.383 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.589 2.351 22.875 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.424 1.597 21.531 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.012 0.639 23.042 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.346 0.548 21.324 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.718 -1.555 23.127 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.455 -1.464 21.540 1.00 0.00 H new ATOM 1311 N SER A 82 13.525 0.005 25.756 1.00 0.00 N ATOM 1312 CA SER A 82 13.181 0.182 27.158 1.00 0.00 C ATOM 1313 C SER A 82 14.290 0.935 27.885 1.00 0.00 C ATOM 1314 O SER A 82 14.026 1.761 28.760 1.00 0.00 O ATOM 1315 CB SER A 82 12.951 -1.178 27.812 1.00 0.00 C ATOM 1316 OG SER A 82 12.141 -2.004 26.988 1.00 0.00 O ATOM 0 H SER A 82 13.796 -0.946 25.505 1.00 0.00 H new ATOM 0 HA SER A 82 12.264 0.767 27.224 1.00 0.00 H new ATOM 0 HB2 SER A 82 13.909 -1.666 27.994 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.473 -1.044 28.782 1.00 0.00 H new ATOM 0 HG SER A 82 12.007 -2.871 27.425 1.00 0.00 H new ATOM 1322 N ASP A 83 15.531 0.653 27.506 1.00 0.00 N ATOM 1323 CA ASP A 83 16.687 1.289 28.126 1.00 0.00 C ATOM 1324 C ASP A 83 16.811 2.740 27.666 1.00 0.00 C ATOM 1325 O ASP A 83 17.342 3.591 28.383 1.00 0.00 O ATOM 1326 CB ASP A 83 17.962 0.517 27.784 1.00 0.00 C ATOM 1327 CG ASP A 83 19.157 0.972 28.596 1.00 0.00 C ATOM 1328 OD1 ASP A 83 19.314 0.499 29.742 1.00 0.00 O ATOM 1329 OD2 ASP A 83 19.953 1.785 28.091 1.00 0.00 O ATOM 0 H ASP A 83 15.763 -0.014 26.770 1.00 0.00 H new ATOM 0 HA ASP A 83 16.548 1.279 29.207 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.795 -0.546 27.956 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.181 0.638 26.723 1.00 0.00 H new ATOM 1334 N PHE A 84 16.307 3.008 26.471 1.00 0.00 N ATOM 1335 CA PHE A 84 16.306 4.354 25.921 1.00 0.00 C ATOM 1336 C PHE A 84 15.115 5.124 26.477 1.00 0.00 C ATOM 1337 O PHE A 84 13.969 4.852 26.124 1.00 0.00 O ATOM 1338 CB PHE A 84 16.246 4.309 24.391 1.00 0.00 C ATOM 1339 CG PHE A 84 17.402 3.583 23.761 1.00 0.00 C ATOM 1340 CD1 PHE A 84 17.346 2.213 23.547 1.00 0.00 C ATOM 1341 CD2 PHE A 84 18.545 4.267 23.382 1.00 0.00 C ATOM 1342 CE1 PHE A 84 18.406 1.543 22.968 1.00 0.00 C ATOM 1343 CE2 PHE A 84 19.609 3.603 22.802 1.00 0.00 C ATOM 1344 CZ PHE A 84 19.539 2.238 22.596 1.00 0.00 C ATOM 0 H PHE A 84 15.891 2.305 25.860 1.00 0.00 H new ATOM 0 HA PHE A 84 17.228 4.859 26.208 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.317 3.827 24.087 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.217 5.329 24.007 1.00 0.00 H new ATOM 0 HD1 PHE A 84 16.462 1.664 23.837 1.00 0.00 H new ATOM 0 HD2 PHE A 84 18.606 5.333 23.542 1.00 0.00 H new ATOM 0 HE1 PHE A 84 18.348 0.477 22.807 1.00 0.00 H new ATOM 0 HE2 PHE A 84 20.494 4.150 22.510 1.00 0.00 H new ATOM 0 HZ PHE A 84 20.370 1.716 22.145 1.00 0.00 H new ATOM 1354 N LYS A 85 15.391 6.078 27.346 1.00 0.00 N ATOM 1355 CA LYS A 85 14.343 6.758 28.086 1.00 0.00 C ATOM 1356 C LYS A 85 14.009 8.100 27.452 1.00 0.00 C ATOM 1357 O LYS A 85 12.855 8.370 27.107 1.00 0.00 O ATOM 1358 CB LYS A 85 14.793 6.956 29.535 1.00 0.00 C ATOM 1359 CG LYS A 85 13.694 7.439 30.467 1.00 0.00 C ATOM 1360 CD LYS A 85 14.215 7.622 31.885 1.00 0.00 C ATOM 1361 CE LYS A 85 14.859 6.349 32.416 1.00 0.00 C ATOM 1362 NZ LYS A 85 15.441 6.542 33.771 1.00 0.00 N ATOM 0 H LYS A 85 16.335 6.401 27.558 1.00 0.00 H new ATOM 0 HA LYS A 85 13.443 6.144 28.063 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.187 6.013 29.914 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.613 7.674 29.554 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.292 8.383 30.100 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.873 6.722 30.468 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.943 8.433 31.904 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.394 7.915 32.539 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.115 5.554 32.451 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.640 6.024 31.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.869 5.651 34.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.170 7.283 33.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.692 6.827 34.433 1.00 0.00 H new ATOM 1376 N ASN A 86 15.026 8.927 27.279 1.00 0.00 N ATOM 1377 CA ASN A 86 14.845 10.290 26.798 1.00 0.00 C ATOM 1378 C ASN A 86 14.750 10.322 25.272 1.00 0.00 C ATOM 1379 O ASN A 86 15.195 9.390 24.596 1.00 0.00 O ATOM 1380 CB ASN A 86 16.007 11.160 27.298 1.00 0.00 C ATOM 1381 CG ASN A 86 15.926 12.607 26.845 1.00 0.00 C ATOM 1382 OD1 ASN A 86 14.842 13.158 26.642 1.00 0.00 O ATOM 1383 ND2 ASN A 86 17.077 13.230 26.693 1.00 0.00 N ATOM 0 H ASN A 86 15.997 8.676 27.466 1.00 0.00 H new ATOM 0 HA ASN A 86 13.909 10.688 27.189 1.00 0.00 H new ATOM 0 HB2 ASN A 86 16.029 11.130 28.387 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.946 10.731 26.949 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.093 14.206 26.397 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.952 12.736 26.872 1.00 0.00 H new ATOM 1390 N ALA A 87 14.156 11.392 24.741 1.00 0.00 N ATOM 1391 CA ALA A 87 13.979 11.559 23.301 1.00 0.00 C ATOM 1392 C ALA A 87 15.305 11.432 22.566 1.00 0.00 C ATOM 1393 O ALA A 87 15.395 10.712 21.572 1.00 0.00 O ATOM 1394 CB ALA A 87 13.339 12.907 22.994 1.00 0.00 C ATOM 0 H ALA A 87 13.786 12.164 25.296 1.00 0.00 H new ATOM 0 HA ALA A 87 13.318 10.766 22.953 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.215 13.014 21.916 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.365 12.966 23.479 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.979 13.707 23.367 1.00 0.00 H new ATOM 1400 N ASP A 88 16.328 12.120 23.075 1.00 0.00 N ATOM 1401 CA ASP A 88 17.661 12.099 22.471 1.00 0.00 C ATOM 1402 C ASP A 88 18.123 10.670 22.226 1.00 0.00 C ATOM 1403 O ASP A 88 18.545 10.327 21.125 1.00 0.00 O ATOM 1404 CB ASP A 88 18.685 12.807 23.369 1.00 0.00 C ATOM 1405 CG ASP A 88 18.435 14.295 23.510 1.00 0.00 C ATOM 1406 OD1 ASP A 88 18.721 15.043 22.555 1.00 0.00 O ATOM 1407 OD2 ASP A 88 17.974 14.724 24.588 1.00 0.00 O ATOM 0 H ASP A 88 16.258 12.702 23.910 1.00 0.00 H new ATOM 0 HA ASP A 88 17.593 12.626 21.519 1.00 0.00 H new ATOM 0 HB2 ASP A 88 18.669 12.348 24.358 1.00 0.00 H new ATOM 0 HB3 ASP A 88 19.684 12.651 22.961 1.00 0.00 H new ATOM 1412 N GLU A 89 18.001 9.841 23.253 1.00 0.00 N ATOM 1413 CA GLU A 89 18.457 8.458 23.193 1.00 0.00 C ATOM 1414 C GLU A 89 17.681 7.672 22.140 1.00 0.00 C ATOM 1415 O GLU A 89 18.269 6.997 21.293 1.00 0.00 O ATOM 1416 CB GLU A 89 18.284 7.795 24.559 1.00 0.00 C ATOM 1417 CG GLU A 89 18.848 8.609 25.709 1.00 0.00 C ATOM 1418 CD GLU A 89 18.681 7.919 27.045 1.00 0.00 C ATOM 1419 OE1 GLU A 89 17.541 7.860 27.552 1.00 0.00 O ATOM 1420 OE2 GLU A 89 19.689 7.440 27.600 1.00 0.00 O ATOM 0 H GLU A 89 17.586 10.105 24.147 1.00 0.00 H new ATOM 0 HA GLU A 89 19.511 8.458 22.917 1.00 0.00 H new ATOM 0 HB2 GLU A 89 17.223 7.620 24.736 1.00 0.00 H new ATOM 0 HB3 GLU A 89 18.770 6.819 24.544 1.00 0.00 H new ATOM 0 HG2 GLU A 89 19.907 8.798 25.531 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.352 9.579 25.740 1.00 0.00 H new ATOM 1427 N ARG A 90 16.358 7.778 22.191 1.00 0.00 N ATOM 1428 CA ARG A 90 15.492 7.028 21.289 1.00 0.00 C ATOM 1429 C ARG A 90 15.709 7.454 19.838 1.00 0.00 C ATOM 1430 O ARG A 90 15.789 6.618 18.939 1.00 0.00 O ATOM 1431 CB ARG A 90 14.018 7.221 21.666 1.00 0.00 C ATOM 1432 CG ARG A 90 13.699 6.894 23.118 1.00 0.00 C ATOM 1433 CD ARG A 90 12.206 6.995 23.400 1.00 0.00 C ATOM 1434 NE ARG A 90 11.912 6.921 24.830 1.00 0.00 N ATOM 1435 CZ ARG A 90 10.994 6.118 25.375 1.00 0.00 C ATOM 1436 NH1 ARG A 90 10.260 5.314 24.613 1.00 0.00 N ATOM 1437 NH2 ARG A 90 10.808 6.129 26.687 1.00 0.00 N ATOM 0 H ARG A 90 15.861 8.378 22.849 1.00 0.00 H new ATOM 0 HA ARG A 90 15.750 5.974 21.387 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.736 8.255 21.467 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.404 6.593 21.020 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.046 5.887 23.350 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.241 7.577 23.773 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.824 7.934 23.000 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.684 6.191 22.881 1.00 0.00 H new ATOM 0 HE ARG A 90 12.445 7.525 25.456 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.395 5.306 23.602 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.562 4.705 25.039 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.364 6.749 27.276 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.108 5.518 27.108 1.00 0.00 H new ATOM 1451 N ILE A 91 15.808 8.760 19.621 1.00 0.00 N ATOM 1452 CA ILE A 91 15.945 9.304 18.275 1.00 0.00 C ATOM 1453 C ILE A 91 17.323 9.003 17.697 1.00 0.00 C ATOM 1454 O ILE A 91 17.438 8.592 16.542 1.00 0.00 O ATOM 1455 CB ILE A 91 15.695 10.829 18.256 1.00 0.00 C ATOM 1456 CG1 ILE A 91 14.271 11.130 18.731 1.00 0.00 C ATOM 1457 CG2 ILE A 91 15.922 11.398 16.861 1.00 0.00 C ATOM 1458 CD1 ILE A 91 14.000 12.600 18.959 1.00 0.00 C ATOM 0 H ILE A 91 15.796 9.463 20.360 1.00 0.00 H new ATOM 0 HA ILE A 91 15.190 8.819 17.656 1.00 0.00 H new ATOM 0 HB ILE A 91 16.403 11.305 18.934 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.564 10.750 17.993 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.085 10.588 19.658 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.740 12.473 16.872 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.950 11.207 16.553 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.238 10.922 16.158 1.00 0.00 H new ATOM 0 HD11 ILE A 91 12.971 12.733 19.294 1.00 0.00 H new ATOM 0 HD12 ILE A 91 14.681 12.982 19.719 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.152 13.147 18.028 1.00 0.00 H new ATOM 1470 N ALA A 92 18.362 9.183 18.508 1.00 0.00 N ATOM 1471 CA ALA A 92 19.731 8.957 18.060 1.00 0.00 C ATOM 1472 C ALA A 92 19.923 7.525 17.579 1.00 0.00 C ATOM 1473 O ALA A 92 20.592 7.282 16.572 1.00 0.00 O ATOM 1474 CB ALA A 92 20.718 9.278 19.172 1.00 0.00 C ATOM 0 H ALA A 92 18.281 9.485 19.479 1.00 0.00 H new ATOM 0 HA ALA A 92 19.922 9.625 17.220 1.00 0.00 H new ATOM 0 HB1 ALA A 92 21.734 9.103 18.818 1.00 0.00 H new ATOM 0 HB2 ALA A 92 20.610 10.323 19.464 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.518 8.639 20.032 1.00 0.00 H new ATOM 1480 N TYR A 93 19.327 6.573 18.288 1.00 0.00 N ATOM 1481 CA TYR A 93 19.457 5.180 17.906 1.00 0.00 C ATOM 1482 C TYR A 93 18.732 4.918 16.592 1.00 0.00 C ATOM 1483 O TYR A 93 19.257 4.227 15.723 1.00 0.00 O ATOM 1484 CB TYR A 93 18.939 4.239 18.994 1.00 0.00 C ATOM 1485 CG TYR A 93 19.275 2.794 18.709 1.00 0.00 C ATOM 1486 CD1 TYR A 93 20.598 2.372 18.654 1.00 0.00 C ATOM 1487 CD2 TYR A 93 18.279 1.860 18.467 1.00 0.00 C ATOM 1488 CE1 TYR A 93 20.918 1.060 18.370 1.00 0.00 C ATOM 1489 CE2 TYR A 93 18.593 0.545 18.178 1.00 0.00 C ATOM 1490 CZ TYR A 93 19.912 0.151 18.131 1.00 0.00 C ATOM 1491 OH TYR A 93 20.227 -1.156 17.835 1.00 0.00 O ATOM 0 H TYR A 93 18.758 6.740 19.118 1.00 0.00 H new ATOM 0 HA TYR A 93 20.520 4.977 17.774 1.00 0.00 H new ATOM 0 HB2 TYR A 93 19.367 4.527 19.954 1.00 0.00 H new ATOM 0 HB3 TYR A 93 17.858 4.348 19.081 1.00 0.00 H new ATOM 0 HD1 TYR A 93 21.390 3.083 18.837 1.00 0.00 H new ATOM 0 HD2 TYR A 93 17.243 2.164 18.505 1.00 0.00 H new ATOM 0 HE1 TYR A 93 21.951 0.748 18.335 1.00 0.00 H new ATOM 0 HE2 TYR A 93 17.807 -0.171 17.990 1.00 0.00 H new ATOM 0 HH TYR A 93 19.403 -1.667 17.695 1.00 0.00 H new ATOM 1501 N ILE A 94 17.533 5.481 16.440 1.00 0.00 N ATOM 1502 CA ILE A 94 16.791 5.350 15.188 1.00 0.00 C ATOM 1503 C ILE A 94 17.594 5.968 14.038 1.00 0.00 C ATOM 1504 O ILE A 94 17.652 5.411 12.942 1.00 0.00 O ATOM 1505 CB ILE A 94 15.387 6.009 15.266 1.00 0.00 C ATOM 1506 CG1 ILE A 94 14.531 5.343 16.354 1.00 0.00 C ATOM 1507 CG2 ILE A 94 14.683 5.917 13.918 1.00 0.00 C ATOM 1508 CD1 ILE A 94 13.169 5.987 16.557 1.00 0.00 C ATOM 0 H ILE A 94 17.060 6.026 17.160 1.00 0.00 H new ATOM 0 HA ILE A 94 16.643 4.286 15.006 1.00 0.00 H new ATOM 0 HB ILE A 94 15.519 7.059 15.525 1.00 0.00 H new ATOM 0 HG12 ILE A 94 14.389 4.293 16.097 1.00 0.00 H new ATOM 0 HG13 ILE A 94 15.077 5.369 17.297 1.00 0.00 H new ATOM 0 HG21 ILE A 94 13.700 6.383 13.988 1.00 0.00 H new ATOM 0 HG22 ILE A 94 15.276 6.432 13.162 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.569 4.870 13.638 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.629 5.457 17.342 1.00 0.00 H new ATOM 0 HD12 ILE A 94 13.299 7.030 16.847 1.00 0.00 H new ATOM 0 HD13 ILE A 94 12.601 5.937 15.628 1.00 0.00 H new ATOM 1520 N LEU A 95 18.238 7.103 14.316 1.00 0.00 N ATOM 1521 CA LEU A 95 19.084 7.790 13.336 1.00 0.00 C ATOM 1522 C LEU A 95 20.172 6.878 12.781 1.00 0.00 C ATOM 1523 O LEU A 95 20.462 6.903 11.585 1.00 0.00 O ATOM 1524 CB LEU A 95 19.734 9.026 13.965 1.00 0.00 C ATOM 1525 CG LEU A 95 18.832 10.253 14.094 1.00 0.00 C ATOM 1526 CD1 LEU A 95 19.504 11.316 14.950 1.00 0.00 C ATOM 1527 CD2 LEU A 95 18.508 10.813 12.718 1.00 0.00 C ATOM 0 H LEU A 95 18.189 7.570 15.221 1.00 0.00 H new ATOM 0 HA LEU A 95 18.437 8.090 12.511 1.00 0.00 H new ATOM 0 HB2 LEU A 95 20.097 8.758 14.957 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.605 9.299 13.370 1.00 0.00 H new ATOM 0 HG LEU A 95 17.903 9.953 14.578 1.00 0.00 H new ATOM 0 HD11 LEU A 95 18.850 12.184 15.033 1.00 0.00 H new ATOM 0 HD12 LEU A 95 19.700 10.913 15.944 1.00 0.00 H new ATOM 0 HD13 LEU A 95 20.445 11.614 14.488 1.00 0.00 H new ATOM 0 HD21 LEU A 95 17.865 11.687 12.823 1.00 0.00 H new ATOM 0 HD22 LEU A 95 19.432 11.100 12.215 1.00 0.00 H new ATOM 0 HD23 LEU A 95 17.995 10.054 12.128 1.00 0.00 H new ATOM 1539 N LYS A 96 20.771 6.074 13.651 1.00 0.00 N ATOM 1540 CA LYS A 96 21.847 5.175 13.240 1.00 0.00 C ATOM 1541 C LYS A 96 21.370 4.183 12.176 1.00 0.00 C ATOM 1542 O LYS A 96 22.125 3.821 11.272 1.00 0.00 O ATOM 1543 CB LYS A 96 22.412 4.430 14.451 1.00 0.00 C ATOM 1544 CG LYS A 96 22.929 5.356 15.540 1.00 0.00 C ATOM 1545 CD LYS A 96 23.564 4.581 16.682 1.00 0.00 C ATOM 1546 CE LYS A 96 23.927 5.493 17.845 1.00 0.00 C ATOM 1547 NZ LYS A 96 24.870 6.574 17.444 1.00 0.00 N ATOM 0 H LYS A 96 20.533 6.025 14.642 1.00 0.00 H new ATOM 0 HA LYS A 96 22.639 5.781 12.799 1.00 0.00 H new ATOM 0 HB2 LYS A 96 21.636 3.788 14.868 1.00 0.00 H new ATOM 0 HB3 LYS A 96 23.222 3.779 14.123 1.00 0.00 H new ATOM 0 HG2 LYS A 96 23.661 6.044 15.116 1.00 0.00 H new ATOM 0 HG3 LYS A 96 22.107 5.961 15.923 1.00 0.00 H new ATOM 0 HD2 LYS A 96 22.875 3.809 17.026 1.00 0.00 H new ATOM 0 HD3 LYS A 96 24.460 4.073 16.324 1.00 0.00 H new ATOM 0 HE2 LYS A 96 23.019 5.939 18.251 1.00 0.00 H new ATOM 0 HE3 LYS A 96 24.375 4.900 18.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 25.180 7.095 18.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 25.697 6.156 16.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 24.392 7.227 16.790 1.00 0.00 H new ATOM 1561 N GLN A 97 20.111 3.765 12.271 1.00 0.00 N ATOM 1562 CA GLN A 97 19.539 2.845 11.290 1.00 0.00 C ATOM 1563 C GLN A 97 19.044 3.605 10.067 1.00 0.00 C ATOM 1564 O GLN A 97 18.842 3.027 9.001 1.00 0.00 O ATOM 1565 CB GLN A 97 18.390 2.035 11.893 1.00 0.00 C ATOM 1566 CG GLN A 97 18.835 0.850 12.741 1.00 0.00 C ATOM 1567 CD GLN A 97 19.652 1.255 13.949 1.00 0.00 C ATOM 1568 OE1 GLN A 97 20.879 1.309 13.898 1.00 0.00 O ATOM 1569 NE2 GLN A 97 18.971 1.549 15.042 1.00 0.00 N ATOM 0 H GLN A 97 19.470 4.046 13.013 1.00 0.00 H new ATOM 0 HA GLN A 97 20.327 2.155 10.988 1.00 0.00 H new ATOM 0 HB2 GLN A 97 17.778 2.696 12.506 1.00 0.00 H new ATOM 0 HB3 GLN A 97 17.755 1.671 11.085 1.00 0.00 H new ATOM 0 HG2 GLN A 97 17.955 0.299 13.073 1.00 0.00 H new ATOM 0 HG3 GLN A 97 19.423 0.170 12.124 1.00 0.00 H new ATOM 0 HE21 GLN A 97 17.953 1.491 15.040 1.00 0.00 H new ATOM 0 HE22 GLN A 97 19.463 1.834 15.888 1.00 0.00 H new ATOM 1578 N ILE A 98 18.840 4.903 10.232 1.00 0.00 N ATOM 1579 CA ILE A 98 18.448 5.759 9.127 1.00 0.00 C ATOM 1580 C ILE A 98 19.612 5.919 8.156 1.00 0.00 C ATOM 1581 O ILE A 98 19.433 5.865 6.937 1.00 0.00 O ATOM 1582 CB ILE A 98 17.971 7.141 9.634 1.00 0.00 C ATOM 1583 CG1 ILE A 98 16.680 6.975 10.441 1.00 0.00 C ATOM 1584 CG2 ILE A 98 17.765 8.109 8.473 1.00 0.00 C ATOM 1585 CD1 ILE A 98 16.165 8.257 11.059 1.00 0.00 C ATOM 0 H ILE A 98 18.940 5.386 11.125 1.00 0.00 H new ATOM 0 HA ILE A 98 17.613 5.289 8.607 1.00 0.00 H new ATOM 0 HB ILE A 98 18.741 7.563 10.280 1.00 0.00 H new ATOM 0 HG12 ILE A 98 15.909 6.563 9.790 1.00 0.00 H new ATOM 0 HG13 ILE A 98 16.851 6.246 11.233 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.430 9.072 8.858 1.00 0.00 H new ATOM 0 HG22 ILE A 98 18.705 8.239 7.937 1.00 0.00 H new ATOM 0 HG23 ILE A 98 17.013 7.708 7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 98 15.249 8.052 11.613 1.00 0.00 H new ATOM 0 HD12 ILE A 98 16.916 8.661 11.738 1.00 0.00 H new ATOM 0 HD13 ILE A 98 15.959 8.983 10.272 1.00 0.00 H new ATOM 1597 N ASP A 99 20.807 6.093 8.707 1.00 0.00 N ATOM 1598 CA ASP A 99 22.014 6.190 7.895 1.00 0.00 C ATOM 1599 C ASP A 99 22.428 4.818 7.388 1.00 0.00 C ATOM 1600 O ASP A 99 22.706 4.642 6.200 1.00 0.00 O ATOM 1601 CB ASP A 99 23.167 6.815 8.687 1.00 0.00 C ATOM 1602 CG ASP A 99 22.980 8.297 8.935 1.00 0.00 C ATOM 1603 OD1 ASP A 99 22.988 9.073 7.955 1.00 0.00 O ATOM 1604 OD2 ASP A 99 22.836 8.697 10.111 1.00 0.00 O ATOM 0 H ASP A 99 20.966 6.170 9.712 1.00 0.00 H new ATOM 0 HA ASP A 99 21.788 6.834 7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 99 23.264 6.302 9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 99 24.100 6.658 8.145 1.00 0.00 H new ATOM 1609 N ASN A 100 22.467 3.843 8.284 1.00 0.00 N ATOM 1610 CA ASN A 100 22.847 2.493 7.903 1.00 0.00 C ATOM 1611 C ASN A 100 21.728 1.504 8.199 1.00 0.00 C ATOM 1612 O ASN A 100 21.655 0.932 9.288 1.00 0.00 O ATOM 1613 CB ASN A 100 24.134 2.055 8.614 1.00 0.00 C ATOM 1614 CG ASN A 100 24.544 0.636 8.246 1.00 0.00 C ATOM 1615 OD1 ASN A 100 24.273 0.160 7.143 1.00 0.00 O ATOM 1616 ND2 ASN A 100 25.203 -0.050 9.167 1.00 0.00 N ATOM 0 H ASN A 100 22.242 3.961 9.272 1.00 0.00 H new ATOM 0 HA ASN A 100 23.031 2.500 6.829 1.00 0.00 H new ATOM 0 HB2 ASN A 100 24.940 2.742 8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 100 23.991 2.121 9.693 1.00 0.00 H new ATOM 0 HD21 ASN A 100 25.504 -1.005 8.974 1.00 0.00 H new ATOM 0 HD22 ASN A 100 25.410 0.377 10.070 1.00 0.00 H new ATOM 1623 N LYS A 101 20.840 1.337 7.235 1.00 0.00 N ATOM 1624 CA LYS A 101 19.827 0.299 7.304 1.00 0.00 C ATOM 1625 C LYS A 101 20.373 -0.962 6.650 1.00 0.00 C ATOM 1626 O LYS A 101 20.222 -2.068 7.175 1.00 0.00 O ATOM 1627 CB LYS A 101 18.535 0.754 6.618 1.00 0.00 C ATOM 1628 CG LYS A 101 17.455 -0.314 6.571 1.00 0.00 C ATOM 1629 CD LYS A 101 16.176 0.202 5.928 1.00 0.00 C ATOM 1630 CE LYS A 101 16.440 0.819 4.562 1.00 0.00 C ATOM 1631 NZ LYS A 101 15.188 1.003 3.787 1.00 0.00 N ATOM 0 H LYS A 101 20.800 1.910 6.392 1.00 0.00 H new ATOM 0 HA LYS A 101 19.587 0.092 8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 101 18.146 1.628 7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 101 18.767 1.068 5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 101 17.820 -1.176 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 101 17.240 -0.658 7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.464 -0.617 5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.715 0.945 6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.934 1.782 4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.124 0.181 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.153 1.971 3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.163 0.323 3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.369 0.845 4.408 1.00 0.00 H new ATOM 1645 N GLY A 102 21.012 -0.779 5.498 1.00 0.00 N ATOM 1646 CA GLY A 102 21.732 -1.858 4.846 1.00 0.00 C ATOM 1647 C GLY A 102 20.837 -2.834 4.104 1.00 0.00 C ATOM 1648 O GLY A 102 20.960 -2.986 2.889 1.00 0.00 O ATOM 0 H GLY A 102 21.043 0.110 4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 102 22.449 -1.431 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 102 22.306 -2.404 5.595 1.00 0.00 H new ATOM 1652 N GLU A 103 19.943 -3.488 4.844 1.00 0.00 N ATOM 1653 CA GLU A 103 19.110 -4.567 4.315 1.00 0.00 C ATOM 1654 C GLU A 103 20.005 -5.761 3.962 1.00 0.00 C ATOM 1655 O GLU A 103 21.103 -5.889 4.513 1.00 0.00 O ATOM 1656 CB GLU A 103 18.290 -4.095 3.101 1.00 0.00 C ATOM 1657 CG GLU A 103 17.060 -4.952 2.823 1.00 0.00 C ATOM 1658 CD GLU A 103 16.287 -4.498 1.603 1.00 0.00 C ATOM 1659 OE1 GLU A 103 15.485 -3.548 1.722 1.00 0.00 O ATOM 1660 OE2 GLU A 103 16.468 -5.094 0.521 1.00 0.00 O ATOM 0 H GLU A 103 19.776 -3.284 5.829 1.00 0.00 H new ATOM 0 HA GLU A 103 18.392 -4.875 5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 103 17.975 -3.065 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 103 18.930 -4.096 2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 103 17.369 -5.988 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 103 16.403 -4.928 3.692 1.00 0.00 H new ATOM 1667 N LEU A 104 19.544 -6.630 3.059 1.00 0.00 N ATOM 1668 CA LEU A 104 20.268 -7.854 2.720 1.00 0.00 C ATOM 1669 C LEU A 104 20.497 -8.677 3.982 1.00 0.00 C ATOM 1670 O LEU A 104 21.634 -8.907 4.398 1.00 0.00 O ATOM 1671 CB LEU A 104 21.610 -7.554 2.024 1.00 0.00 C ATOM 1672 CG LEU A 104 21.524 -7.077 0.566 1.00 0.00 C ATOM 1673 CD1 LEU A 104 20.910 -5.688 0.468 1.00 0.00 C ATOM 1674 CD2 LEU A 104 22.903 -7.092 -0.074 1.00 0.00 C ATOM 0 H LEU A 104 18.669 -6.506 2.549 1.00 0.00 H new ATOM 0 HA LEU A 104 19.660 -8.423 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 104 22.134 -6.794 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 104 22.221 -8.456 2.054 1.00 0.00 H new ATOM 0 HG LEU A 104 20.873 -7.766 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 104 20.865 -5.383 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 104 19.903 -5.705 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 104 21.522 -4.980 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 104 22.828 -6.752 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 104 23.568 -6.429 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 104 23.302 -8.106 -0.054 1.00 0.00 H new ATOM 1686 N GLU A 105 19.396 -9.102 4.585 1.00 0.00 N ATOM 1687 CA GLU A 105 19.418 -9.778 5.875 1.00 0.00 C ATOM 1688 C GLU A 105 20.107 -11.133 5.773 1.00 0.00 C ATOM 1689 O GLU A 105 20.954 -11.471 6.602 1.00 0.00 O ATOM 1690 CB GLU A 105 17.989 -9.971 6.383 1.00 0.00 C ATOM 1691 CG GLU A 105 17.155 -8.701 6.373 1.00 0.00 C ATOM 1692 CD GLU A 105 15.700 -8.969 6.695 1.00 0.00 C ATOM 1693 OE1 GLU A 105 15.013 -9.606 5.865 1.00 0.00 O ATOM 1694 OE2 GLU A 105 15.234 -8.541 7.767 1.00 0.00 O ATOM 0 H GLU A 105 18.461 -8.988 4.194 1.00 0.00 H new ATOM 0 HA GLU A 105 19.978 -9.157 6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.494 -10.724 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 105 18.025 -10.362 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 105 17.562 -7.996 7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.227 -8.229 5.393 1.00 0.00 H new ATOM 1701 N HIS A 106 19.735 -11.904 4.759 1.00 0.00 N ATOM 1702 CA HIS A 106 20.270 -13.250 4.586 1.00 0.00 C ATOM 1703 C HIS A 106 20.042 -13.750 3.165 1.00 0.00 C ATOM 1704 O HIS A 106 18.906 -13.873 2.709 1.00 0.00 O ATOM 1705 CB HIS A 106 19.654 -14.229 5.603 1.00 0.00 C ATOM 1706 CG HIS A 106 18.153 -14.222 5.655 1.00 0.00 C ATOM 1707 ND1 HIS A 106 17.366 -15.127 4.981 1.00 0.00 N ATOM 1708 CD2 HIS A 106 17.299 -13.408 6.317 1.00 0.00 C ATOM 1709 CE1 HIS A 106 16.096 -14.869 5.222 1.00 0.00 C ATOM 1710 NE2 HIS A 106 16.027 -13.830 6.031 1.00 0.00 N ATOM 0 H HIS A 106 19.065 -11.621 4.044 1.00 0.00 H new ATOM 0 HA HIS A 106 21.344 -13.202 4.766 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.990 -15.238 5.364 1.00 0.00 H new ATOM 0 HB3 HIS A 106 20.039 -13.991 6.595 1.00 0.00 H new ATOM 0 HD2 HIS A 106 17.570 -12.579 6.953 1.00 0.00 H new ATOM 0 HE1 HIS A 106 15.254 -15.416 4.824 1.00 0.00 H new ATOM 0 HE2 HIS A 106 15.168 -13.410 6.386 1.00 0.00 H new ATOM 1719 N HIS A 107 21.136 -14.021 2.474 1.00 0.00 N ATOM 1720 CA HIS A 107 21.093 -14.535 1.116 1.00 0.00 C ATOM 1721 C HIS A 107 22.441 -15.160 0.780 1.00 0.00 C ATOM 1722 O HIS A 107 23.472 -14.674 1.246 1.00 0.00 O ATOM 1723 CB HIS A 107 20.758 -13.408 0.130 1.00 0.00 C ATOM 1724 CG HIS A 107 20.472 -13.879 -1.264 1.00 0.00 C ATOM 1725 ND1 HIS A 107 19.347 -14.597 -1.597 1.00 0.00 N ATOM 1726 CD2 HIS A 107 21.168 -13.723 -2.414 1.00 0.00 C ATOM 1727 CE1 HIS A 107 19.363 -14.863 -2.887 1.00 0.00 C ATOM 1728 NE2 HIS A 107 20.457 -14.342 -3.411 1.00 0.00 N ATOM 0 H HIS A 107 22.080 -13.891 2.839 1.00 0.00 H new ATOM 0 HA HIS A 107 20.314 -15.293 1.036 1.00 0.00 H new ATOM 0 HB2 HIS A 107 19.892 -12.860 0.502 1.00 0.00 H new ATOM 0 HB3 HIS A 107 21.591 -12.706 0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 107 22.110 -13.206 -2.526 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.607 -15.415 -3.426 1.00 0.00 H new ATOM 0 HE2 HIS A 107 20.728 -14.391 -4.393 1.00 0.00 H new ATOM 1737 N HIS A 108 22.420 -16.256 0.013 1.00 0.00 N ATOM 1738 CA HIS A 108 23.636 -16.994 -0.367 1.00 0.00 C ATOM 1739 C HIS A 108 24.104 -17.883 0.788 1.00 0.00 C ATOM 1740 O HIS A 108 24.566 -19.005 0.575 1.00 0.00 O ATOM 1741 CB HIS A 108 24.754 -16.040 -0.834 1.00 0.00 C ATOM 1742 CG HIS A 108 26.073 -16.702 -1.105 1.00 0.00 C ATOM 1743 ND1 HIS A 108 26.213 -17.817 -1.901 1.00 0.00 N ATOM 1744 CD2 HIS A 108 27.318 -16.392 -0.676 1.00 0.00 C ATOM 1745 CE1 HIS A 108 27.484 -18.162 -1.952 1.00 0.00 C ATOM 1746 NE2 HIS A 108 28.175 -17.314 -1.219 1.00 0.00 N ATOM 0 H HIS A 108 21.561 -16.658 -0.363 1.00 0.00 H new ATOM 0 HA HIS A 108 23.392 -17.637 -1.213 1.00 0.00 H new ATOM 0 HB2 HIS A 108 24.425 -15.533 -1.741 1.00 0.00 H new ATOM 0 HB3 HIS A 108 24.898 -15.272 -0.074 1.00 0.00 H new ATOM 0 HD2 HIS A 108 27.587 -15.572 -0.027 1.00 0.00 H new ATOM 0 HE1 HIS A 108 27.890 -18.998 -2.502 1.00 0.00 H new ATOM 0 HE2 HIS A 108 29.185 -17.339 -1.078 1.00 0.00 H new ATOM 1755 N HIS A 109 23.975 -17.377 2.006 1.00 0.00 N ATOM 1756 CA HIS A 109 24.222 -18.175 3.197 1.00 0.00 C ATOM 1757 C HIS A 109 23.138 -19.237 3.340 1.00 0.00 C ATOM 1758 O HIS A 109 21.955 -18.916 3.449 1.00 0.00 O ATOM 1759 CB HIS A 109 24.254 -17.282 4.445 1.00 0.00 C ATOM 1760 CG HIS A 109 24.296 -18.046 5.736 1.00 0.00 C ATOM 1761 ND1 HIS A 109 23.295 -17.975 6.682 1.00 0.00 N ATOM 1762 CD2 HIS A 109 25.218 -18.907 6.232 1.00 0.00 C ATOM 1763 CE1 HIS A 109 23.600 -18.757 7.701 1.00 0.00 C ATOM 1764 NE2 HIS A 109 24.759 -19.334 7.451 1.00 0.00 N ATOM 0 H HIS A 109 23.699 -16.413 2.195 1.00 0.00 H new ATOM 0 HA HIS A 109 25.191 -18.664 3.098 1.00 0.00 H new ATOM 0 HB2 HIS A 109 25.126 -16.630 4.391 1.00 0.00 H new ATOM 0 HB3 HIS A 109 23.374 -16.639 4.443 1.00 0.00 H new ATOM 0 HD2 HIS A 109 26.142 -19.201 5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 109 23.002 -18.900 8.589 1.00 0.00 H new ATOM 0 HE2 HIS A 109 25.237 -19.992 8.066 1.00 0.00 H new ATOM 1773 N HIS A 110 23.545 -20.496 3.340 1.00 0.00 N ATOM 1774 CA HIS A 110 22.604 -21.599 3.450 1.00 0.00 C ATOM 1775 C HIS A 110 23.104 -22.625 4.455 1.00 0.00 C ATOM 1776 O HIS A 110 24.185 -22.476 5.018 1.00 0.00 O ATOM 1777 CB HIS A 110 22.378 -22.270 2.083 1.00 0.00 C ATOM 1778 CG HIS A 110 23.606 -22.905 1.489 1.00 0.00 C ATOM 1779 ND1 HIS A 110 23.976 -24.214 1.728 1.00 0.00 N ATOM 1780 CD2 HIS A 110 24.543 -22.403 0.649 1.00 0.00 C ATOM 1781 CE1 HIS A 110 25.083 -24.485 1.065 1.00 0.00 C ATOM 1782 NE2 HIS A 110 25.449 -23.405 0.400 1.00 0.00 N ATOM 0 H HIS A 110 24.522 -20.780 3.265 1.00 0.00 H new ATOM 0 HA HIS A 110 21.653 -21.195 3.797 1.00 0.00 H new ATOM 0 HB2 HIS A 110 21.606 -23.032 2.190 1.00 0.00 H new ATOM 0 HB3 HIS A 110 21.996 -21.525 1.385 1.00 0.00 H new ATOM 0 HD1 HIS A 110 23.471 -24.869 2.325 1.00 0.00 H new ATOM 0 HD2 HIS A 110 24.572 -21.400 0.249 1.00 0.00 H new ATOM 0 HE1 HIS A 110 25.603 -25.432 1.066 1.00 0.00 H new ATOM 1791 N HIS A 111 22.301 -23.649 4.685 1.00 0.00 N ATOM 1792 CA HIS A 111 22.710 -24.772 5.512 1.00 0.00 C ATOM 1793 C HIS A 111 23.715 -25.619 4.745 1.00 0.00 C ATOM 1794 O HIS A 111 23.332 -26.199 3.708 1.00 0.00 O ATOM 1795 CB HIS A 111 21.492 -25.612 5.910 1.00 0.00 C ATOM 1796 CG HIS A 111 21.809 -26.749 6.835 1.00 0.00 C ATOM 1797 ND1 HIS A 111 21.764 -28.071 6.449 1.00 0.00 N ATOM 1798 CD2 HIS A 111 22.154 -26.756 8.145 1.00 0.00 C ATOM 1799 CE1 HIS A 111 22.066 -28.839 7.477 1.00 0.00 C ATOM 1800 NE2 HIS A 111 22.308 -28.068 8.520 1.00 0.00 N ATOM 1801 OXT HIS A 111 24.883 -25.687 5.169 1.00 0.00 O ATOM 0 H HIS A 111 21.356 -23.726 4.308 1.00 0.00 H new ATOM 0 HA HIS A 111 23.176 -24.400 6.424 1.00 0.00 H new ATOM 0 HB2 HIS A 111 20.757 -24.964 6.387 1.00 0.00 H new ATOM 0 HB3 HIS A 111 21.028 -26.010 5.008 1.00 0.00 H new ATOM 0 HD2 HIS A 111 22.284 -25.890 8.777 1.00 0.00 H new ATOM 0 HE1 HIS A 111 22.108 -29.918 7.467 1.00 0.00 H new ATOM 0 HE2 HIS A 111 22.567 -28.393 9.452 1.00 0.00 H new TER 1810 HIS A 111