USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 972 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 52 CYS SG : rot -125:sc= -2.22! USER MOD Set 1.2: A 54 HIS : no HE2:sc= 0.266 K(o=-2,f=-10!) USER MOD Set 2.1: A 41 SER OG : rot 106:sc= 0.764 USER MOD Set 2.2: A 53 HIS : no HD1:sc= -0.0535 K(o=0.71,f=-3.1!) USER MOD Set 3.1: A 30 ASN : amide:sc= -0.277 X(o=-0.14,f=-0.015) USER MOD Set 3.2: A 38 THR OG1 : rot 132:sc= 0.807 USER MOD Set 3.3: A 55 MET CE :methyl -176:sc= -0.671 (180deg=-0.766) USER MOD Set 4.1: A 4 SER OG : rot 63:sc= 0.549 USER MOD Set 4.2: A 105 THR OG1 : rot 180:sc= 0.505 USER MOD Single : A 1 MET CE :methyl 157:sc= 0 (180deg=-0.572) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0252 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.13) USER MOD Single : A 11 GLN : amide:sc= -1.56! C(o=-1.6!,f=-4.2!) USER MOD Single : A 21 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.5!) USER MOD Single : A 25 CYS SG : rot 82:sc= -3.78! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= -0.0504 K(o=-0.05,f=-0.76) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 118:sc= 0.172 USER MOD Single : A 83 MET CE :methyl 180:sc= -1.9! (180deg=-1.9!) USER MOD Single : A 92 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.32) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 75:sc= 0.521 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 41:sc= 0.16 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.117 K(o=-0.12,f=-3!) USER MOD Single : A 118 GLN : amide:sc= -0.315 X(o=-0.32,f=0) USER MOD Single : A 122 GLN : amide:sc= -3.51! K(o=-3.5!,f=-0.38) USER MOD Single : A 127 ASN : amide:sc= -0.0646 K(o=-0.065,f=-1.6!) USER MOD Single : A 129 LYS NZ :NH3+ 143:sc= 1.24 (180deg=0.0735) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.248 17.680 3.400 1.00 0.00 N ATOM 2 CA MET A 1 6.130 17.153 4.227 1.00 0.00 C ATOM 3 C MET A 1 6.048 15.628 4.061 1.00 0.00 C ATOM 4 O MET A 1 6.223 15.116 2.955 1.00 0.00 O ATOM 5 CB MET A 1 4.792 17.846 3.833 1.00 0.00 C ATOM 6 CG MET A 1 3.552 17.351 4.603 1.00 0.00 C ATOM 7 SD MET A 1 3.760 17.466 6.391 1.00 0.00 S ATOM 8 CE MET A 1 2.242 16.734 7.006 1.00 0.00 C ATOM 0 H1 MET A 1 6.936 18.537 2.901 1.00 0.00 H new ATOM 0 H2 MET A 1 8.055 17.911 4.014 1.00 0.00 H new ATOM 0 H3 MET A 1 7.536 16.961 2.706 1.00 0.00 H new ATOM 0 HA MET A 1 6.314 17.375 5.278 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.895 18.919 3.992 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.623 17.696 2.767 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.684 17.937 4.303 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.348 16.316 4.330 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.398 16.372 8.022 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.451 17.483 7.006 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.953 15.902 6.364 1.00 0.00 H new ATOM 20 N LYS A 2 5.801 14.909 5.182 1.00 0.00 N ATOM 21 CA LYS A 2 5.646 13.445 5.195 1.00 0.00 C ATOM 22 C LYS A 2 4.774 13.031 6.385 1.00 0.00 C ATOM 23 O LYS A 2 4.878 13.611 7.478 1.00 0.00 O ATOM 24 CB LYS A 2 7.030 12.728 5.246 1.00 0.00 C ATOM 25 CG LYS A 2 7.943 13.113 6.440 1.00 0.00 C ATOM 26 CD LYS A 2 9.359 12.493 6.337 1.00 0.00 C ATOM 27 CE LYS A 2 10.275 12.890 7.508 1.00 0.00 C ATOM 28 NZ LYS A 2 9.818 12.354 8.815 1.00 0.00 N ATOM 0 H LYS A 2 5.704 15.335 6.104 1.00 0.00 H new ATOM 0 HA LYS A 2 5.157 13.139 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.860 11.652 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.564 12.942 4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.029 14.198 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.475 12.787 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.273 11.407 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.820 12.806 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.285 12.532 7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.328 13.977 7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.475 12.655 9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.866 12.716 9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.793 11.315 8.774 1.00 0.00 H new ATOM 42 N ILE A 3 3.894 12.046 6.158 1.00 0.00 N ATOM 43 CA ILE A 3 2.981 11.513 7.179 1.00 0.00 C ATOM 44 C ILE A 3 3.324 10.039 7.420 1.00 0.00 C ATOM 45 O ILE A 3 3.392 9.246 6.479 1.00 0.00 O ATOM 46 CB ILE A 3 1.477 11.649 6.724 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.152 13.127 6.333 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.489 11.136 7.816 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.182 13.309 5.647 1.00 0.00 C ATOM 0 H ILE A 3 3.795 11.592 5.250 1.00 0.00 H new ATOM 0 HA ILE A 3 3.102 12.085 8.099 1.00 0.00 H new ATOM 0 HB ILE A 3 1.344 11.018 5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.171 13.741 7.233 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.939 13.498 5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.536 11.248 7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.689 10.084 8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.622 11.716 8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.329 14.363 5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.201 12.724 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.980 12.971 6.308 1.00 0.00 H new ATOM 61 N SER A 4 3.545 9.683 8.684 1.00 0.00 N ATOM 62 CA SER A 4 3.889 8.323 9.087 1.00 0.00 C ATOM 63 C SER A 4 2.739 7.768 9.927 1.00 0.00 C ATOM 64 O SER A 4 2.401 8.338 10.970 1.00 0.00 O ATOM 65 CB SER A 4 5.204 8.338 9.898 1.00 0.00 C ATOM 66 OG SER A 4 5.681 7.026 10.132 1.00 0.00 O ATOM 0 H SER A 4 3.489 10.338 9.464 1.00 0.00 H new ATOM 0 HA SER A 4 4.039 7.690 8.213 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.959 8.911 9.359 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.040 8.843 10.850 1.00 0.00 H new ATOM 0 HG SER A 4 5.889 6.596 9.276 1.00 0.00 H new ATOM 72 N ILE A 5 2.107 6.695 9.445 1.00 0.00 N ATOM 73 CA ILE A 5 1.055 5.965 10.181 1.00 0.00 C ATOM 74 C ILE A 5 1.501 4.514 10.375 1.00 0.00 C ATOM 75 O ILE A 5 2.465 4.065 9.741 1.00 0.00 O ATOM 76 CB ILE A 5 -0.342 6.064 9.455 1.00 0.00 C ATOM 77 CG1 ILE A 5 -0.238 5.640 7.957 1.00 0.00 C ATOM 78 CG2 ILE A 5 -0.912 7.491 9.590 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.492 5.824 7.127 1.00 0.00 C ATOM 0 H ILE A 5 2.308 6.300 8.526 1.00 0.00 H new ATOM 0 HA ILE A 5 0.916 6.425 11.159 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.028 5.369 9.940 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.568 6.210 7.494 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.050 4.590 7.916 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.876 7.547 9.085 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.040 7.733 10.645 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.223 8.203 9.136 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.303 5.497 6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.301 5.231 7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.776 6.876 7.125 1.00 0.00 H new ATOM 91 N GLU A 6 0.833 3.795 11.285 1.00 0.00 N ATOM 92 CA GLU A 6 1.267 2.448 11.701 1.00 0.00 C ATOM 93 C GLU A 6 0.082 1.592 12.145 1.00 0.00 C ATOM 94 O GLU A 6 -1.015 2.109 12.367 1.00 0.00 O ATOM 95 CB GLU A 6 2.325 2.578 12.838 1.00 0.00 C ATOM 96 CG GLU A 6 1.855 3.399 14.066 1.00 0.00 C ATOM 97 CD GLU A 6 2.980 3.721 15.059 1.00 0.00 C ATOM 98 OE1 GLU A 6 3.421 2.818 15.781 1.00 0.00 O ATOM 99 OE2 GLU A 6 3.403 4.891 15.148 1.00 0.00 O ATOM 0 H GLU A 6 -0.014 4.122 11.751 1.00 0.00 H new ATOM 0 HA GLU A 6 1.719 1.943 10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.606 1.579 13.171 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.223 3.042 12.430 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.410 4.332 13.720 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.072 2.845 14.584 1.00 0.00 H new ATOM 106 N ALA A 7 0.338 0.281 12.274 1.00 0.00 N ATOM 107 CA ALA A 7 -0.655 -0.734 12.664 1.00 0.00 C ATOM 108 C ALA A 7 0.065 -2.041 13.040 1.00 0.00 C ATOM 109 O ALA A 7 1.240 -2.221 12.713 1.00 0.00 O ATOM 110 CB ALA A 7 -1.659 -0.986 11.517 1.00 0.00 C ATOM 0 H ALA A 7 1.264 -0.113 12.106 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.212 -0.369 13.527 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.384 -1.739 11.827 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.179 -0.058 11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.123 -1.338 10.636 1.00 0.00 H new ATOM 116 N HIS A 8 -0.638 -2.941 13.743 1.00 0.00 N ATOM 117 CA HIS A 8 -0.163 -4.307 14.038 1.00 0.00 C ATOM 118 C HIS A 8 -1.165 -5.294 13.450 1.00 0.00 C ATOM 119 O HIS A 8 -2.311 -5.325 13.886 1.00 0.00 O ATOM 120 CB HIS A 8 -0.037 -4.536 15.566 1.00 0.00 C ATOM 121 CG HIS A 8 0.958 -3.639 16.246 1.00 0.00 C ATOM 122 ND1 HIS A 8 0.604 -2.619 17.104 1.00 0.00 N ATOM 123 CD2 HIS A 8 2.304 -3.628 16.197 1.00 0.00 C ATOM 124 CE1 HIS A 8 1.693 -2.026 17.547 1.00 0.00 C ATOM 125 NE2 HIS A 8 2.735 -2.617 17.011 1.00 0.00 N ATOM 0 H HIS A 8 -1.561 -2.742 14.128 1.00 0.00 H new ATOM 0 HA HIS A 8 0.824 -4.450 13.598 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.014 -4.389 16.025 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.246 -5.574 15.744 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.928 -4.295 15.621 1.00 0.00 H new ATOM 0 HE1 HIS A 8 1.724 -1.194 18.235 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.709 -2.363 17.175 1.00 0.00 H new ATOM 134 N ILE A 9 -0.752 -6.049 12.422 1.00 0.00 N ATOM 135 CA ILE A 9 -1.579 -7.117 11.838 1.00 0.00 C ATOM 136 C ILE A 9 -1.256 -8.445 12.549 1.00 0.00 C ATOM 137 O ILE A 9 -0.087 -8.835 12.600 1.00 0.00 O ATOM 138 CB ILE A 9 -1.326 -7.248 10.283 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.460 -5.849 9.598 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.305 -8.274 9.649 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.339 -5.846 8.089 1.00 0.00 C ATOM 0 H ILE A 9 0.158 -5.939 11.974 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.631 -6.870 11.979 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.312 -7.615 10.124 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.426 -5.423 9.868 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.695 -5.189 10.007 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.112 -8.347 8.579 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.159 -9.250 10.112 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.332 -7.945 9.811 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.447 -4.827 7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.362 -6.236 7.802 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.120 -6.473 7.660 1.00 0.00 H new ATOM 153 N GLU A 10 -2.294 -9.122 13.099 1.00 0.00 N ATOM 154 CA GLU A 10 -2.152 -10.435 13.776 1.00 0.00 C ATOM 155 C GLU A 10 -2.027 -11.526 12.701 1.00 0.00 C ATOM 156 O GLU A 10 -2.973 -12.268 12.420 1.00 0.00 O ATOM 157 CB GLU A 10 -3.358 -10.729 14.740 1.00 0.00 C ATOM 158 CG GLU A 10 -3.469 -9.814 15.986 1.00 0.00 C ATOM 159 CD GLU A 10 -3.690 -8.317 15.674 1.00 0.00 C ATOM 160 OE1 GLU A 10 -4.852 -7.902 15.445 1.00 0.00 O ATOM 161 OE2 GLU A 10 -2.708 -7.544 15.690 1.00 0.00 O ATOM 0 H GLU A 10 -3.252 -8.773 13.086 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.257 -10.421 14.397 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.283 -10.646 14.169 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.284 -11.763 15.078 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.293 -10.167 16.606 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.559 -9.917 16.577 1.00 0.00 H new ATOM 168 N GLN A 11 -0.849 -11.556 12.084 1.00 0.00 N ATOM 169 CA GLN A 11 -0.556 -12.384 10.917 1.00 0.00 C ATOM 170 C GLN A 11 0.960 -12.393 10.686 1.00 0.00 C ATOM 171 O GLN A 11 1.679 -11.535 11.212 1.00 0.00 O ATOM 172 CB GLN A 11 -1.323 -11.808 9.681 1.00 0.00 C ATOM 173 CG GLN A 11 -1.169 -12.571 8.350 1.00 0.00 C ATOM 174 CD GLN A 11 -1.769 -13.988 8.317 1.00 0.00 C ATOM 175 OE1 GLN A 11 -1.822 -14.709 9.314 1.00 0.00 O ATOM 176 NE2 GLN A 11 -2.206 -14.406 7.146 1.00 0.00 N ATOM 0 H GLN A 11 -0.054 -10.993 12.388 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.885 -13.411 11.074 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.384 -11.767 9.928 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.992 -10.781 9.524 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.633 -11.982 7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.107 -12.641 8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.153 -13.792 6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.598 -15.343 7.053 1.00 0.00 H new ATOM 185 N GLU A 12 1.430 -13.387 9.923 1.00 0.00 N ATOM 186 CA GLU A 12 2.840 -13.515 9.524 1.00 0.00 C ATOM 187 C GLU A 12 3.204 -12.442 8.484 1.00 0.00 C ATOM 188 O GLU A 12 2.407 -12.155 7.590 1.00 0.00 O ATOM 189 CB GLU A 12 3.057 -14.931 8.942 1.00 0.00 C ATOM 190 CG GLU A 12 2.642 -16.068 9.901 1.00 0.00 C ATOM 191 CD GLU A 12 2.737 -17.463 9.271 1.00 0.00 C ATOM 192 OE1 GLU A 12 1.833 -17.833 8.496 1.00 0.00 O ATOM 193 OE2 GLU A 12 3.716 -18.196 9.529 1.00 0.00 O ATOM 0 H GLU A 12 0.837 -14.134 9.561 1.00 0.00 H new ATOM 0 HA GLU A 12 3.485 -13.370 10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.490 -15.024 8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.109 -15.051 8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.275 -16.034 10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.618 -15.897 10.234 1.00 0.00 H new ATOM 200 N ILE A 13 4.432 -11.908 8.603 1.00 0.00 N ATOM 201 CA ILE A 13 4.949 -10.792 7.773 1.00 0.00 C ATOM 202 C ILE A 13 4.982 -11.157 6.277 1.00 0.00 C ATOM 203 O ILE A 13 4.782 -10.301 5.424 1.00 0.00 O ATOM 204 CB ILE A 13 6.392 -10.351 8.249 1.00 0.00 C ATOM 205 CG1 ILE A 13 6.890 -9.067 7.501 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.420 -11.509 8.106 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.274 -8.589 7.920 1.00 0.00 C ATOM 0 H ILE A 13 5.109 -12.242 9.289 1.00 0.00 H new ATOM 0 HA ILE A 13 4.261 -9.957 7.904 1.00 0.00 H new ATOM 0 HB ILE A 13 6.311 -10.103 9.307 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.897 -9.266 6.429 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.175 -8.262 7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.400 -11.169 8.442 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.101 -12.356 8.714 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.481 -11.815 7.061 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.538 -7.697 7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.271 -8.354 8.984 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.005 -9.373 7.723 1.00 0.00 H new ATOM 219 N GLU A 14 5.218 -12.449 5.990 1.00 0.00 N ATOM 220 CA GLU A 14 5.323 -12.977 4.621 1.00 0.00 C ATOM 221 C GLU A 14 3.939 -13.085 3.958 1.00 0.00 C ATOM 222 O GLU A 14 3.822 -12.951 2.746 1.00 0.00 O ATOM 223 CB GLU A 14 6.052 -14.342 4.662 1.00 0.00 C ATOM 224 CG GLU A 14 7.460 -14.262 5.291 1.00 0.00 C ATOM 225 CD GLU A 14 8.187 -15.609 5.304 1.00 0.00 C ATOM 226 OE1 GLU A 14 8.743 -16.009 4.260 1.00 0.00 O ATOM 227 OE2 GLU A 14 8.176 -16.295 6.348 1.00 0.00 O ATOM 0 H GLU A 14 5.342 -13.162 6.709 1.00 0.00 H new ATOM 0 HA GLU A 14 5.905 -12.287 4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.448 -15.052 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.136 -14.732 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.058 -13.538 4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.375 -13.891 6.313 1.00 0.00 H new ATOM 234 N ALA A 15 2.900 -13.315 4.782 1.00 0.00 N ATOM 235 CA ALA A 15 1.491 -13.329 4.333 1.00 0.00 C ATOM 236 C ALA A 15 0.976 -11.900 4.078 1.00 0.00 C ATOM 237 O ALA A 15 0.210 -11.662 3.135 1.00 0.00 O ATOM 238 CB ALA A 15 0.627 -14.038 5.379 1.00 0.00 C ATOM 0 H ALA A 15 3.012 -13.497 5.779 1.00 0.00 H new ATOM 0 HA ALA A 15 1.429 -13.873 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.411 -14.048 5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.977 -15.062 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.699 -13.509 6.329 1.00 0.00 H new ATOM 244 N VAL A 16 1.400 -10.971 4.950 1.00 0.00 N ATOM 245 CA VAL A 16 1.116 -9.531 4.821 1.00 0.00 C ATOM 246 C VAL A 16 1.768 -8.984 3.523 1.00 0.00 C ATOM 247 O VAL A 16 1.115 -8.316 2.712 1.00 0.00 O ATOM 248 CB VAL A 16 1.640 -8.761 6.097 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.448 -7.239 5.977 1.00 0.00 C ATOM 250 CG2 VAL A 16 0.953 -9.288 7.381 1.00 0.00 C ATOM 0 H VAL A 16 1.956 -11.200 5.774 1.00 0.00 H new ATOM 0 HA VAL A 16 0.039 -9.374 4.754 1.00 0.00 H new ATOM 0 HB VAL A 16 2.711 -8.953 6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.823 -6.753 6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.997 -6.870 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.388 -7.014 5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.330 -8.742 8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.125 -9.143 7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.169 -10.350 7.500 1.00 0.00 H new ATOM 260 N TRP A 17 3.050 -9.341 3.333 1.00 0.00 N ATOM 261 CA TRP A 17 3.870 -8.948 2.162 1.00 0.00 C ATOM 262 C TRP A 17 3.292 -9.540 0.859 1.00 0.00 C ATOM 263 O TRP A 17 3.233 -8.856 -0.177 1.00 0.00 O ATOM 264 CB TRP A 17 5.331 -9.425 2.380 1.00 0.00 C ATOM 265 CG TRP A 17 6.296 -9.055 1.270 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.714 -9.850 0.242 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.965 -7.799 1.096 1.00 0.00 C ATOM 268 NE1 TRP A 17 7.577 -9.161 -0.561 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.755 -7.905 -0.054 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.971 -6.595 1.799 1.00 0.00 C ATOM 271 CZ2 TRP A 17 8.549 -6.857 -0.518 1.00 0.00 C ATOM 272 CZ3 TRP A 17 7.762 -5.561 1.343 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.542 -5.697 0.193 1.00 0.00 C ATOM 0 H TRP A 17 3.560 -9.922 3.999 1.00 0.00 H new ATOM 0 HA TRP A 17 3.855 -7.863 2.064 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.699 -9.005 3.316 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.331 -10.509 2.495 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.407 -10.874 0.087 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.018 -9.526 -1.405 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.366 -6.474 2.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.148 -6.962 -1.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.778 -4.628 1.886 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.150 -4.868 -0.138 1.00 0.00 H new ATOM 284 N TRP A 18 2.874 -10.818 0.943 1.00 0.00 N ATOM 285 CA TRP A 18 2.217 -11.539 -0.156 1.00 0.00 C ATOM 286 C TRP A 18 0.976 -10.773 -0.624 1.00 0.00 C ATOM 287 O TRP A 18 0.842 -10.466 -1.798 1.00 0.00 O ATOM 288 CB TRP A 18 1.833 -12.973 0.298 1.00 0.00 C ATOM 289 CG TRP A 18 1.051 -13.776 -0.725 1.00 0.00 C ATOM 290 CD1 TRP A 18 1.554 -14.531 -1.748 1.00 0.00 C ATOM 291 CD2 TRP A 18 -0.379 -13.890 -0.815 1.00 0.00 C ATOM 292 NE1 TRP A 18 0.528 -15.091 -2.466 1.00 0.00 N ATOM 293 CE2 TRP A 18 -0.663 -14.719 -1.907 1.00 0.00 C ATOM 294 CE3 TRP A 18 -1.440 -13.365 -0.073 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -1.968 -15.044 -2.269 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -2.727 -13.684 -0.430 1.00 0.00 C ATOM 297 CH2 TRP A 18 -2.985 -14.515 -1.520 1.00 0.00 C ATOM 0 H TRP A 18 2.986 -11.381 1.786 1.00 0.00 H new ATOM 0 HA TRP A 18 2.912 -11.615 -0.992 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.744 -13.517 0.546 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.244 -12.904 1.212 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.604 -14.667 -1.960 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.636 -15.689 -3.285 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.251 -12.717 0.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.171 -15.690 -3.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.552 -13.285 0.142 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.008 -14.746 -1.779 1.00 0.00 H new ATOM 308 N ALA A 19 0.088 -10.463 0.329 1.00 0.00 N ATOM 309 CA ALA A 19 -1.187 -9.783 0.050 1.00 0.00 C ATOM 310 C ALA A 19 -0.985 -8.340 -0.444 1.00 0.00 C ATOM 311 O ALA A 19 -1.802 -7.815 -1.206 1.00 0.00 O ATOM 312 CB ALA A 19 -2.068 -9.830 1.296 1.00 0.00 C ATOM 0 H ALA A 19 0.232 -10.676 1.316 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.686 -10.311 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.013 -9.327 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.260 -10.868 1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.560 -9.328 2.120 1.00 0.00 H new ATOM 318 N TRP A 20 0.115 -7.708 -0.003 1.00 0.00 N ATOM 319 CA TRP A 20 0.477 -6.352 -0.437 1.00 0.00 C ATOM 320 C TRP A 20 0.864 -6.357 -1.936 1.00 0.00 C ATOM 321 O TRP A 20 0.601 -5.397 -2.672 1.00 0.00 O ATOM 322 CB TRP A 20 1.637 -5.795 0.438 1.00 0.00 C ATOM 323 CG TRP A 20 1.911 -4.319 0.214 1.00 0.00 C ATOM 324 CD1 TRP A 20 2.748 -3.759 -0.712 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.318 -3.221 0.921 1.00 0.00 C ATOM 326 NE1 TRP A 20 2.699 -2.392 -0.628 1.00 0.00 N ATOM 327 CE2 TRP A 20 1.840 -2.040 0.374 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.399 -3.127 1.971 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.468 -0.784 0.830 1.00 0.00 C ATOM 330 CZ3 TRP A 20 0.033 -1.878 2.426 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.568 -0.721 1.857 1.00 0.00 C ATOM 0 H TRP A 20 0.773 -8.120 0.659 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.385 -5.698 -0.310 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.398 -5.956 1.489 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.544 -6.361 0.227 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.359 -4.314 -1.408 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.219 -1.743 -1.218 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.017 -4.018 2.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 1.875 0.114 0.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.678 -1.794 3.235 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.265 0.244 2.236 1.00 0.00 H new ATOM 342 N ASN A 21 1.497 -7.460 -2.364 1.00 0.00 N ATOM 343 CA ASN A 21 1.966 -7.654 -3.749 1.00 0.00 C ATOM 344 C ASN A 21 0.868 -8.271 -4.653 1.00 0.00 C ATOM 345 O ASN A 21 0.801 -7.974 -5.859 1.00 0.00 O ATOM 346 CB ASN A 21 3.219 -8.571 -3.720 1.00 0.00 C ATOM 347 CG ASN A 21 3.872 -8.786 -5.081 1.00 0.00 C ATOM 348 OD1 ASN A 21 3.891 -7.901 -5.928 1.00 0.00 O ATOM 349 ND2 ASN A 21 4.398 -9.975 -5.304 1.00 0.00 N ATOM 0 H ASN A 21 1.701 -8.252 -1.754 1.00 0.00 H new ATOM 0 HA ASN A 21 2.215 -6.682 -4.174 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.955 -8.139 -3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.936 -9.540 -3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.837 -10.178 -6.202 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.366 -10.691 -4.578 1.00 0.00 H new ATOM 356 N ASP A 22 0.016 -9.135 -4.058 1.00 0.00 N ATOM 357 CA ASP A 22 -0.932 -10.010 -4.793 1.00 0.00 C ATOM 358 C ASP A 22 -2.036 -9.194 -5.502 1.00 0.00 C ATOM 359 O ASP A 22 -2.737 -8.438 -4.840 1.00 0.00 O ATOM 360 CB ASP A 22 -1.572 -11.045 -3.821 1.00 0.00 C ATOM 361 CG ASP A 22 -2.483 -12.045 -4.552 1.00 0.00 C ATOM 362 OD1 ASP A 22 -1.969 -13.054 -5.084 1.00 0.00 O ATOM 363 OD2 ASP A 22 -3.710 -11.815 -4.624 1.00 0.00 O ATOM 0 H ASP A 22 -0.036 -9.248 -3.046 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.366 -10.537 -5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.783 -11.588 -3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.150 -10.518 -3.062 1.00 0.00 H new ATOM 368 N PRO A 23 -2.234 -9.377 -6.856 1.00 0.00 N ATOM 369 CA PRO A 23 -3.183 -8.564 -7.666 1.00 0.00 C ATOM 370 C PRO A 23 -4.657 -8.736 -7.258 1.00 0.00 C ATOM 371 O PRO A 23 -5.419 -7.773 -7.288 1.00 0.00 O ATOM 372 CB PRO A 23 -2.944 -9.064 -9.121 1.00 0.00 C ATOM 373 CG PRO A 23 -2.364 -10.433 -8.971 1.00 0.00 C ATOM 374 CD PRO A 23 -1.535 -10.380 -7.713 1.00 0.00 C ATOM 0 HA PRO A 23 -3.001 -7.498 -7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.875 -9.090 -9.687 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.263 -8.404 -9.658 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.148 -11.186 -8.893 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.753 -10.698 -9.834 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.486 -11.354 -7.227 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.509 -10.078 -7.924 1.00 0.00 H new ATOM 382 N ASP A 24 -5.042 -9.972 -6.890 1.00 0.00 N ATOM 383 CA ASP A 24 -6.423 -10.295 -6.473 1.00 0.00 C ATOM 384 C ASP A 24 -6.755 -9.607 -5.144 1.00 0.00 C ATOM 385 O ASP A 24 -7.895 -9.184 -4.916 1.00 0.00 O ATOM 386 CB ASP A 24 -6.611 -11.827 -6.344 1.00 0.00 C ATOM 387 CG ASP A 24 -6.392 -12.571 -7.666 1.00 0.00 C ATOM 388 OD1 ASP A 24 -5.222 -12.785 -8.046 1.00 0.00 O ATOM 389 OD2 ASP A 24 -7.382 -12.939 -8.340 1.00 0.00 O ATOM 0 H ASP A 24 -4.410 -10.772 -6.873 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.106 -9.926 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.916 -12.211 -5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.617 -12.035 -5.979 1.00 0.00 H new ATOM 394 N CYS A 25 -5.739 -9.498 -4.283 1.00 0.00 N ATOM 395 CA CYS A 25 -5.839 -8.782 -3.008 1.00 0.00 C ATOM 396 C CYS A 25 -5.973 -7.268 -3.272 1.00 0.00 C ATOM 397 O CYS A 25 -6.856 -6.616 -2.721 1.00 0.00 O ATOM 398 CB CYS A 25 -4.611 -9.098 -2.128 1.00 0.00 C ATOM 399 SG CYS A 25 -4.683 -8.392 -0.475 1.00 0.00 S ATOM 0 H CYS A 25 -4.820 -9.906 -4.452 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.728 -9.112 -2.470 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.508 -10.180 -2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.715 -8.730 -2.629 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.393 -9.162 0.295 1.00 0.00 H new ATOM 405 N ILE A 26 -5.103 -6.741 -4.163 1.00 0.00 N ATOM 406 CA ILE A 26 -5.110 -5.328 -4.612 1.00 0.00 C ATOM 407 C ILE A 26 -6.438 -4.955 -5.321 1.00 0.00 C ATOM 408 O ILE A 26 -6.844 -3.785 -5.328 1.00 0.00 O ATOM 409 CB ILE A 26 -3.863 -5.034 -5.542 1.00 0.00 C ATOM 410 CG1 ILE A 26 -2.530 -5.291 -4.762 1.00 0.00 C ATOM 411 CG2 ILE A 26 -3.890 -3.588 -6.109 1.00 0.00 C ATOM 412 CD1 ILE A 26 -1.275 -5.203 -5.610 1.00 0.00 C ATOM 0 H ILE A 26 -4.364 -7.293 -4.598 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.034 -4.698 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.917 -5.717 -6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.455 -4.569 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.576 -6.280 -4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.017 -3.429 -6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.796 -3.445 -6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.877 -2.874 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.401 -5.395 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.322 -5.944 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.199 -4.206 -6.045 1.00 0.00 H new ATOM 424 N ALA A 27 -7.131 -5.953 -5.901 1.00 0.00 N ATOM 425 CA ALA A 27 -8.479 -5.751 -6.480 1.00 0.00 C ATOM 426 C ALA A 27 -9.480 -5.272 -5.400 1.00 0.00 C ATOM 427 O ALA A 27 -10.382 -4.480 -5.690 1.00 0.00 O ATOM 428 CB ALA A 27 -8.972 -7.035 -7.171 1.00 0.00 C ATOM 0 H ALA A 27 -6.782 -6.908 -5.983 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.412 -4.969 -7.236 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.964 -6.865 -7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.282 -7.306 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.019 -7.845 -6.443 1.00 0.00 H new ATOM 434 N ARG A 28 -9.250 -5.727 -4.150 1.00 0.00 N ATOM 435 CA ARG A 28 -10.095 -5.412 -2.984 1.00 0.00 C ATOM 436 C ARG A 28 -9.604 -4.136 -2.259 1.00 0.00 C ATOM 437 O ARG A 28 -10.372 -3.186 -2.116 1.00 0.00 O ATOM 438 CB ARG A 28 -10.097 -6.621 -2.024 1.00 0.00 C ATOM 439 CG ARG A 28 -10.987 -6.464 -0.779 1.00 0.00 C ATOM 440 CD ARG A 28 -11.056 -7.758 0.038 1.00 0.00 C ATOM 441 NE ARG A 28 -11.895 -7.631 1.237 1.00 0.00 N ATOM 442 CZ ARG A 28 -12.486 -8.656 1.875 1.00 0.00 C ATOM 443 NH1 ARG A 28 -12.357 -9.910 1.438 1.00 0.00 N ATOM 444 NH2 ARG A 28 -13.173 -8.423 2.974 1.00 0.00 N ATOM 0 H ARG A 28 -8.461 -6.332 -3.922 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.111 -5.215 -3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.423 -7.503 -2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.074 -6.809 -1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.599 -5.660 -0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.992 -6.173 -1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.447 -8.558 -0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.048 -8.049 0.335 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.040 -6.694 1.614 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.802 -10.105 0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.814 -10.673 1.937 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.253 -7.472 3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.625 -9.194 3.466 1.00 0.00 H new ATOM 458 N TRP A 29 -8.333 -4.131 -1.774 1.00 0.00 N ATOM 459 CA TRP A 29 -7.724 -2.944 -1.129 1.00 0.00 C ATOM 460 C TRP A 29 -6.897 -2.167 -2.170 1.00 0.00 C ATOM 461 O TRP A 29 -6.156 -2.769 -2.946 1.00 0.00 O ATOM 462 CB TRP A 29 -6.827 -3.354 0.099 1.00 0.00 C ATOM 463 CG TRP A 29 -5.488 -3.979 -0.274 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.228 -5.292 -0.500 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.240 -3.295 -0.506 1.00 0.00 C ATOM 466 NE1 TRP A 29 -3.926 -5.462 -0.891 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.301 -4.254 -0.884 1.00 0.00 C ATOM 468 CE3 TRP A 29 -3.835 -1.963 -0.429 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -1.991 -3.927 -1.201 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -2.531 -1.633 -0.737 1.00 0.00 C ATOM 471 CH2 TRP A 29 -1.620 -2.616 -1.119 1.00 0.00 C ATOM 0 H TRP A 29 -7.713 -4.939 -1.820 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.522 -2.306 -0.749 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -6.643 -2.470 0.709 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.382 -4.059 0.718 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.947 -6.090 -0.387 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.495 -6.351 -1.146 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.535 -1.197 -0.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.286 -4.687 -1.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.213 -0.602 -0.681 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.604 -2.336 -1.354 1.00 0.00 H new ATOM 482 N ASN A 30 -7.021 -0.838 -2.133 1.00 0.00 N ATOM 483 CA ASN A 30 -6.291 0.116 -3.002 1.00 0.00 C ATOM 484 C ASN A 30 -6.912 1.494 -2.773 1.00 0.00 C ATOM 485 O ASN A 30 -6.226 2.514 -2.671 1.00 0.00 O ATOM 486 CB ASN A 30 -6.385 -0.249 -4.524 1.00 0.00 C ATOM 487 CG ASN A 30 -5.592 0.663 -5.471 1.00 0.00 C ATOM 488 OD1 ASN A 30 -4.528 1.184 -5.130 1.00 0.00 O ATOM 489 ND2 ASN A 30 -6.106 0.852 -6.684 1.00 0.00 N ATOM 0 H ASN A 30 -7.650 -0.371 -1.480 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.233 0.088 -2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.036 -1.273 -4.657 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.434 -0.229 -4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.618 1.441 -7.359 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.988 0.408 -6.939 1.00 0.00 H new ATOM 496 N ALA A 31 -8.252 1.479 -2.716 1.00 0.00 N ATOM 497 CA ALA A 31 -9.097 2.649 -2.516 1.00 0.00 C ATOM 498 C ALA A 31 -9.363 2.893 -1.032 1.00 0.00 C ATOM 499 O ALA A 31 -9.322 1.972 -0.199 1.00 0.00 O ATOM 500 CB ALA A 31 -10.414 2.434 -3.268 1.00 0.00 C ATOM 0 H ALA A 31 -8.789 0.617 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.586 3.531 -2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.059 3.302 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.209 2.302 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.913 1.545 -2.881 1.00 0.00 H new ATOM 506 N ALA A 32 -9.631 4.165 -0.724 1.00 0.00 N ATOM 507 CA ALA A 32 -10.037 4.629 0.611 1.00 0.00 C ATOM 508 C ALA A 32 -11.576 4.651 0.738 1.00 0.00 C ATOM 509 O ALA A 32 -12.110 4.965 1.805 1.00 0.00 O ATOM 510 CB ALA A 32 -9.447 6.030 0.865 1.00 0.00 C ATOM 0 H ALA A 32 -9.571 4.919 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.653 3.938 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.746 6.377 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.359 5.982 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -9.818 6.723 0.110 1.00 0.00 H new ATOM 516 N SER A 33 -12.284 4.289 -0.353 1.00 0.00 N ATOM 517 CA SER A 33 -13.744 4.419 -0.464 1.00 0.00 C ATOM 518 C SER A 33 -14.331 3.163 -1.139 1.00 0.00 C ATOM 519 O SER A 33 -13.823 2.710 -2.175 1.00 0.00 O ATOM 520 CB SER A 33 -14.089 5.685 -1.270 1.00 0.00 C ATOM 521 OG SER A 33 -13.550 6.851 -0.656 1.00 0.00 O ATOM 0 H SER A 33 -11.849 3.895 -1.187 1.00 0.00 H new ATOM 0 HA SER A 33 -14.180 4.510 0.531 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.699 5.591 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.171 5.782 -1.353 1.00 0.00 H new ATOM 0 HG SER A 33 -13.783 7.639 -1.190 1.00 0.00 H new ATOM 527 N SER A 34 -15.422 2.646 -0.541 1.00 0.00 N ATOM 528 CA SER A 34 -16.088 1.383 -0.941 1.00 0.00 C ATOM 529 C SER A 34 -16.719 1.460 -2.352 1.00 0.00 C ATOM 530 O SER A 34 -16.955 0.431 -2.991 1.00 0.00 O ATOM 531 CB SER A 34 -17.158 1.010 0.120 1.00 0.00 C ATOM 532 OG SER A 34 -17.743 -0.263 -0.135 1.00 0.00 O ATOM 0 H SER A 34 -15.877 3.101 0.250 1.00 0.00 H new ATOM 0 HA SER A 34 -15.326 0.605 -0.990 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.701 1.007 1.110 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.938 1.771 0.131 1.00 0.00 H new ATOM 0 HG SER A 34 -18.410 -0.461 0.556 1.00 0.00 H new ATOM 538 N ASP A 35 -16.951 2.690 -2.849 1.00 0.00 N ATOM 539 CA ASP A 35 -17.533 2.927 -4.186 1.00 0.00 C ATOM 540 C ASP A 35 -16.458 2.907 -5.296 1.00 0.00 C ATOM 541 O ASP A 35 -16.709 3.361 -6.414 1.00 0.00 O ATOM 542 CB ASP A 35 -18.341 4.257 -4.196 1.00 0.00 C ATOM 543 CG ASP A 35 -17.492 5.506 -3.909 1.00 0.00 C ATOM 544 OD1 ASP A 35 -17.114 5.718 -2.734 1.00 0.00 O ATOM 545 OD2 ASP A 35 -17.226 6.295 -4.842 1.00 0.00 O ATOM 0 H ASP A 35 -16.741 3.547 -2.337 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.219 2.108 -4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.821 4.372 -5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -19.137 4.193 -3.454 1.00 0.00 H new ATOM 550 N TRP A 36 -15.267 2.357 -4.983 1.00 0.00 N ATOM 551 CA TRP A 36 -14.189 2.102 -5.959 1.00 0.00 C ATOM 552 C TRP A 36 -13.746 0.635 -5.858 1.00 0.00 C ATOM 553 O TRP A 36 -14.084 -0.063 -4.896 1.00 0.00 O ATOM 554 CB TRP A 36 -12.977 3.031 -5.701 1.00 0.00 C ATOM 555 CG TRP A 36 -13.261 4.511 -5.855 1.00 0.00 C ATOM 556 CD1 TRP A 36 -13.893 5.325 -4.958 1.00 0.00 C ATOM 557 CD2 TRP A 36 -12.900 5.347 -6.962 1.00 0.00 C ATOM 558 NE1 TRP A 36 -13.965 6.598 -5.449 1.00 0.00 N ATOM 559 CE2 TRP A 36 -13.358 6.640 -6.670 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.236 5.127 -8.172 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -13.179 7.707 -7.543 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -12.056 6.183 -9.037 1.00 0.00 C ATOM 563 CH2 TRP A 36 -12.525 7.460 -8.718 1.00 0.00 C ATOM 0 H TRP A 36 -15.024 2.074 -4.034 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.571 2.307 -6.959 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -12.608 2.850 -4.691 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.176 2.757 -6.387 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -14.279 5.008 -4.000 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -14.402 7.390 -4.978 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.869 4.143 -8.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -13.543 8.695 -7.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.545 6.022 -9.975 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.367 8.270 -9.415 1.00 0.00 H new ATOM 574 N HIS A 37 -12.982 0.191 -6.866 1.00 0.00 N ATOM 575 CA HIS A 37 -12.406 -1.169 -6.945 1.00 0.00 C ATOM 576 C HIS A 37 -11.361 -1.190 -8.076 1.00 0.00 C ATOM 577 O HIS A 37 -11.562 -0.550 -9.110 1.00 0.00 O ATOM 578 CB HIS A 37 -13.505 -2.232 -7.217 1.00 0.00 C ATOM 579 CG HIS A 37 -14.248 -2.024 -8.509 1.00 0.00 C ATOM 580 ND1 HIS A 37 -13.952 -2.700 -9.675 1.00 0.00 N ATOM 581 CD2 HIS A 37 -15.254 -1.179 -8.819 1.00 0.00 C ATOM 582 CE1 HIS A 37 -14.741 -2.275 -10.637 1.00 0.00 C ATOM 583 NE2 HIS A 37 -15.539 -1.354 -10.144 1.00 0.00 N ATOM 0 H HIS A 37 -12.739 0.774 -7.667 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.940 -1.416 -5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -13.046 -3.220 -7.228 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.219 -2.222 -6.393 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.234 -3.417 -9.775 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -15.743 -0.492 -8.145 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.735 -2.624 -11.659 1.00 0.00 H new ATOM 592 N THR A 38 -10.260 -1.932 -7.894 1.00 0.00 N ATOM 593 CA THR A 38 -9.189 -2.012 -8.906 1.00 0.00 C ATOM 594 C THR A 38 -9.578 -3.031 -10.005 1.00 0.00 C ATOM 595 O THR A 38 -9.654 -4.238 -9.745 1.00 0.00 O ATOM 596 CB THR A 38 -7.824 -2.386 -8.242 1.00 0.00 C ATOM 597 OG1 THR A 38 -7.640 -1.561 -7.090 1.00 0.00 O ATOM 598 CG2 THR A 38 -6.629 -2.185 -9.197 1.00 0.00 C ATOM 0 H THR A 38 -10.084 -2.487 -7.056 1.00 0.00 H new ATOM 0 HA THR A 38 -9.068 -1.034 -9.371 1.00 0.00 H new ATOM 0 HB THR A 38 -7.858 -3.443 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.374 -2.117 -6.328 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.706 -2.459 -8.687 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.757 -2.814 -10.078 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.579 -1.140 -9.502 1.00 0.00 H new ATOM 606 N THR A 39 -9.822 -2.523 -11.229 1.00 0.00 N ATOM 607 CA THR A 39 -10.345 -3.321 -12.361 1.00 0.00 C ATOM 608 C THR A 39 -9.210 -4.083 -13.078 1.00 0.00 C ATOM 609 O THR A 39 -9.453 -5.093 -13.751 1.00 0.00 O ATOM 610 CB THR A 39 -11.111 -2.400 -13.376 1.00 0.00 C ATOM 611 OG1 THR A 39 -11.713 -3.188 -14.424 1.00 0.00 O ATOM 612 CG2 THR A 39 -10.197 -1.315 -13.994 1.00 0.00 C ATOM 0 H THR A 39 -9.662 -1.543 -11.464 1.00 0.00 H new ATOM 0 HA THR A 39 -11.043 -4.055 -11.959 1.00 0.00 H new ATOM 0 HB THR A 39 -11.891 -1.891 -12.810 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.187 -2.597 -15.046 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.775 -0.705 -14.689 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.797 -0.682 -13.202 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.375 -1.792 -14.527 1.00 0.00 H new ATOM 620 N GLY A 40 -7.974 -3.612 -12.878 1.00 0.00 N ATOM 621 CA GLY A 40 -6.785 -4.265 -13.414 1.00 0.00 C ATOM 622 C GLY A 40 -5.539 -3.758 -12.720 1.00 0.00 C ATOM 623 O GLY A 40 -5.475 -2.579 -12.362 1.00 0.00 O ATOM 0 H GLY A 40 -7.775 -2.768 -12.340 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.866 -5.344 -13.284 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.713 -4.078 -14.485 1.00 0.00 H new ATOM 627 N SER A 41 -4.548 -4.633 -12.515 1.00 0.00 N ATOM 628 CA SER A 41 -3.283 -4.256 -11.867 1.00 0.00 C ATOM 629 C SER A 41 -2.123 -5.090 -12.428 1.00 0.00 C ATOM 630 O SER A 41 -2.301 -6.256 -12.793 1.00 0.00 O ATOM 631 CB SER A 41 -3.391 -4.424 -10.325 1.00 0.00 C ATOM 632 OG SER A 41 -2.207 -3.988 -9.670 1.00 0.00 O ATOM 0 H SER A 41 -4.597 -5.614 -12.790 1.00 0.00 H new ATOM 0 HA SER A 41 -3.082 -3.206 -12.082 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.244 -3.855 -9.955 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.577 -5.471 -10.084 1.00 0.00 H new ATOM 0 HG SER A 41 -2.375 -3.130 -9.227 1.00 0.00 H new ATOM 638 N ARG A 42 -0.941 -4.458 -12.512 1.00 0.00 N ATOM 639 CA ARG A 42 0.334 -5.119 -12.843 1.00 0.00 C ATOM 640 C ARG A 42 1.376 -4.639 -11.832 1.00 0.00 C ATOM 641 O ARG A 42 1.507 -3.436 -11.629 1.00 0.00 O ATOM 642 CB ARG A 42 0.810 -4.755 -14.283 1.00 0.00 C ATOM 643 CG ARG A 42 -0.108 -5.242 -15.422 1.00 0.00 C ATOM 644 CD ARG A 42 0.426 -4.847 -16.815 1.00 0.00 C ATOM 645 NE ARG A 42 0.550 -3.381 -16.968 1.00 0.00 N ATOM 646 CZ ARG A 42 1.485 -2.745 -17.700 1.00 0.00 C ATOM 647 NH1 ARG A 42 2.420 -3.422 -18.369 1.00 0.00 N ATOM 648 NH2 ARG A 42 1.489 -1.419 -17.753 1.00 0.00 N ATOM 0 H ARG A 42 -0.842 -3.456 -12.349 1.00 0.00 H new ATOM 0 HA ARG A 42 0.202 -6.200 -12.802 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.906 -3.671 -14.353 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.805 -5.173 -14.436 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.207 -6.326 -15.367 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.105 -4.824 -15.286 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.399 -5.311 -16.975 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.243 -5.236 -17.583 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.131 -2.802 -16.477 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.436 -4.441 -18.332 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.119 -2.920 -18.917 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.786 -0.886 -17.241 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.195 -0.933 -18.306 1.00 0.00 H new ATOM 662 N VAL A 43 2.080 -5.571 -11.169 1.00 0.00 N ATOM 663 CA VAL A 43 3.156 -5.244 -10.214 1.00 0.00 C ATOM 664 C VAL A 43 4.431 -6.008 -10.605 1.00 0.00 C ATOM 665 O VAL A 43 4.368 -7.188 -10.953 1.00 0.00 O ATOM 666 CB VAL A 43 2.748 -5.607 -8.724 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.908 -5.371 -7.737 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.497 -4.818 -8.279 1.00 0.00 C ATOM 0 H VAL A 43 1.921 -6.572 -11.279 1.00 0.00 H new ATOM 0 HA VAL A 43 3.334 -4.169 -10.256 1.00 0.00 H new ATOM 0 HB VAL A 43 2.510 -6.671 -8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.587 -5.632 -6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.758 -5.993 -8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.201 -4.322 -7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.242 -5.088 -7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.703 -3.749 -8.332 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.662 -5.059 -8.936 1.00 0.00 H new ATOM 678 N ASP A 44 5.569 -5.309 -10.574 1.00 0.00 N ATOM 679 CA ASP A 44 6.907 -5.906 -10.674 1.00 0.00 C ATOM 680 C ASP A 44 7.616 -5.602 -9.363 1.00 0.00 C ATOM 681 O ASP A 44 8.232 -4.543 -9.221 1.00 0.00 O ATOM 682 CB ASP A 44 7.705 -5.319 -11.873 1.00 0.00 C ATOM 683 CG ASP A 44 7.093 -5.663 -13.231 1.00 0.00 C ATOM 684 OD1 ASP A 44 7.439 -6.723 -13.804 1.00 0.00 O ATOM 685 OD2 ASP A 44 6.258 -4.883 -13.731 1.00 0.00 O ATOM 0 H ASP A 44 5.588 -4.294 -10.477 1.00 0.00 H new ATOM 0 HA ASP A 44 6.833 -6.980 -10.848 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.758 -4.235 -11.770 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.728 -5.693 -11.838 1.00 0.00 H new ATOM 690 N LEU A 45 7.475 -6.502 -8.383 1.00 0.00 N ATOM 691 CA LEU A 45 8.000 -6.286 -7.026 1.00 0.00 C ATOM 692 C LEU A 45 9.517 -6.593 -6.989 1.00 0.00 C ATOM 693 O LEU A 45 9.939 -7.669 -6.557 1.00 0.00 O ATOM 694 CB LEU A 45 7.230 -7.170 -6.007 1.00 0.00 C ATOM 695 CG LEU A 45 7.606 -6.969 -4.501 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.166 -5.580 -4.000 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.029 -8.101 -3.623 1.00 0.00 C ATOM 0 H LEU A 45 6.998 -7.395 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 45 7.855 -5.242 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.163 -6.978 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.396 -8.216 -6.266 1.00 0.00 H new ATOM 0 HG LEU A 45 8.692 -7.017 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.440 -5.468 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.661 -4.807 -4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.086 -5.481 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.308 -7.933 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.943 -8.112 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.429 -9.059 -3.955 1.00 0.00 H new ATOM 709 N VAL A 46 10.297 -5.667 -7.556 1.00 0.00 N ATOM 710 CA VAL A 46 11.781 -5.671 -7.574 1.00 0.00 C ATOM 711 C VAL A 46 12.261 -4.216 -7.478 1.00 0.00 C ATOM 712 O VAL A 46 11.462 -3.287 -7.686 1.00 0.00 O ATOM 713 CB VAL A 46 12.376 -6.334 -8.888 1.00 0.00 C ATOM 714 CG1 VAL A 46 12.212 -7.868 -8.869 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.745 -5.730 -10.168 1.00 0.00 C ATOM 0 H VAL A 46 9.905 -4.857 -8.037 1.00 0.00 H new ATOM 0 HA VAL A 46 12.131 -6.267 -6.731 1.00 0.00 H new ATOM 0 HB VAL A 46 13.443 -6.110 -8.905 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.630 -8.290 -9.783 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.737 -8.279 -8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.154 -8.120 -8.804 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.177 -6.208 -11.047 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.668 -5.897 -10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.946 -4.659 -10.202 1.00 0.00 H new ATOM 725 N VAL A 47 13.559 -4.015 -7.172 1.00 0.00 N ATOM 726 CA VAL A 47 14.163 -2.669 -7.150 1.00 0.00 C ATOM 727 C VAL A 47 14.244 -2.146 -8.591 1.00 0.00 C ATOM 728 O VAL A 47 15.074 -2.608 -9.382 1.00 0.00 O ATOM 729 CB VAL A 47 15.596 -2.642 -6.485 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.153 -1.195 -6.422 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.569 -3.291 -5.084 1.00 0.00 C ATOM 0 H VAL A 47 14.207 -4.767 -6.937 1.00 0.00 H new ATOM 0 HA VAL A 47 13.529 -2.030 -6.536 1.00 0.00 H new ATOM 0 HB VAL A 47 16.267 -3.230 -7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.140 -1.205 -5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.229 -0.790 -7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.482 -0.572 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.568 -3.259 -4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.877 -2.745 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.243 -4.328 -5.169 1.00 0.00 H new ATOM 741 N GLY A 48 13.337 -1.230 -8.932 1.00 0.00 N ATOM 742 CA GLY A 48 13.257 -0.643 -10.269 1.00 0.00 C ATOM 743 C GLY A 48 12.014 -1.074 -11.016 1.00 0.00 C ATOM 744 O GLY A 48 11.713 -0.517 -12.071 1.00 0.00 O ATOM 0 H GLY A 48 12.634 -0.873 -8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.269 0.444 -10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.139 -0.929 -10.842 1.00 0.00 H new ATOM 748 N GLY A 49 11.298 -2.078 -10.472 1.00 0.00 N ATOM 749 CA GLY A 49 10.055 -2.571 -11.063 1.00 0.00 C ATOM 750 C GLY A 49 8.897 -1.610 -10.885 1.00 0.00 C ATOM 751 O GLY A 49 8.879 -0.834 -9.934 1.00 0.00 O ATOM 0 H GLY A 49 11.569 -2.562 -9.616 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.211 -2.752 -12.127 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.798 -3.529 -10.611 1.00 0.00 H new ATOM 755 N ARG A 50 7.923 -1.666 -11.802 1.00 0.00 N ATOM 756 CA ARG A 50 6.797 -0.714 -11.843 1.00 0.00 C ATOM 757 C ARG A 50 5.503 -1.409 -11.388 1.00 0.00 C ATOM 758 O ARG A 50 5.325 -2.612 -11.602 1.00 0.00 O ATOM 759 CB ARG A 50 6.646 -0.159 -13.291 1.00 0.00 C ATOM 760 CG ARG A 50 5.658 1.020 -13.439 1.00 0.00 C ATOM 761 CD ARG A 50 5.563 1.538 -14.881 1.00 0.00 C ATOM 762 NE ARG A 50 6.875 1.942 -15.425 1.00 0.00 N ATOM 763 CZ ARG A 50 7.127 2.274 -16.709 1.00 0.00 C ATOM 764 NH1 ARG A 50 6.166 2.247 -17.633 1.00 0.00 N ATOM 765 NH2 ARG A 50 8.359 2.607 -17.060 1.00 0.00 N ATOM 0 H ARG A 50 7.890 -2.371 -12.538 1.00 0.00 H new ATOM 0 HA ARG A 50 6.993 0.116 -11.165 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.626 0.161 -13.645 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.321 -0.970 -13.943 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.670 0.704 -13.105 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.970 1.834 -12.785 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.134 0.762 -15.515 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.882 2.389 -14.914 1.00 0.00 H new ATOM 0 HE ARG A 50 7.659 1.973 -14.774 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.218 1.972 -17.375 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.379 2.502 -18.598 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.104 2.611 -16.364 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.563 2.860 -18.027 1.00 0.00 H new ATOM 779 N PHE A 51 4.613 -0.641 -10.745 1.00 0.00 N ATOM 780 CA PHE A 51 3.249 -1.082 -10.402 1.00 0.00 C ATOM 781 C PHE A 51 2.223 -0.092 -10.982 1.00 0.00 C ATOM 782 O PHE A 51 2.495 1.111 -11.097 1.00 0.00 O ATOM 783 CB PHE A 51 3.068 -1.233 -8.866 1.00 0.00 C ATOM 784 CG PHE A 51 3.153 0.065 -8.057 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.383 0.586 -7.671 1.00 0.00 C ATOM 786 CD2 PHE A 51 1.996 0.756 -7.680 1.00 0.00 C ATOM 787 CE1 PHE A 51 4.457 1.758 -6.947 1.00 0.00 C ATOM 788 CE2 PHE A 51 2.071 1.928 -6.958 1.00 0.00 C ATOM 789 CZ PHE A 51 3.302 2.427 -6.589 1.00 0.00 C ATOM 0 H PHE A 51 4.819 0.312 -10.445 1.00 0.00 H new ATOM 0 HA PHE A 51 3.083 -2.065 -10.843 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.099 -1.695 -8.676 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.827 -1.921 -8.495 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.291 0.067 -7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.029 0.365 -7.959 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.420 2.154 -6.659 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.169 2.453 -6.682 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.364 3.342 -6.019 1.00 0.00 H new ATOM 799 N CYS A 52 1.044 -0.614 -11.343 1.00 0.00 N ATOM 800 CA CYS A 52 -0.063 0.184 -11.869 1.00 0.00 C ATOM 801 C CYS A 52 -1.386 -0.390 -11.364 1.00 0.00 C ATOM 802 O CYS A 52 -1.772 -1.491 -11.748 1.00 0.00 O ATOM 803 CB CYS A 52 -0.029 0.195 -13.411 1.00 0.00 C ATOM 804 SG CYS A 52 -1.390 1.107 -14.155 1.00 0.00 S ATOM 0 H CYS A 52 0.833 -1.610 -11.277 1.00 0.00 H new ATOM 0 HA CYS A 52 0.035 1.212 -11.521 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.914 0.631 -13.742 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.050 -0.833 -13.774 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.018 0.340 -14.996 1.00 0.00 H new ATOM 810 N HIS A 53 -2.056 0.347 -10.466 1.00 0.00 N ATOM 811 CA HIS A 53 -3.337 -0.065 -9.880 1.00 0.00 C ATOM 812 C HIS A 53 -4.466 0.771 -10.504 1.00 0.00 C ATOM 813 O HIS A 53 -4.685 1.924 -10.109 1.00 0.00 O ATOM 814 CB HIS A 53 -3.322 0.127 -8.336 1.00 0.00 C ATOM 815 CG HIS A 53 -2.169 -0.523 -7.607 1.00 0.00 C ATOM 816 ND1 HIS A 53 -1.503 -1.644 -8.061 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.563 -0.182 -6.442 1.00 0.00 C ATOM 818 CE1 HIS A 53 -0.543 -1.956 -7.216 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.556 -1.088 -6.227 1.00 0.00 N ATOM 0 H HIS A 53 -1.722 1.249 -10.125 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.502 -1.122 -10.089 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.308 1.196 -8.121 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.253 -0.267 -7.930 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.825 0.648 -5.803 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.141 -2.786 -7.317 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.080 -1.089 -5.430 1.00 0.00 H new ATOM 828 N HIS A 54 -5.159 0.197 -11.498 1.00 0.00 N ATOM 829 CA HIS A 54 -6.257 0.879 -12.219 1.00 0.00 C ATOM 830 C HIS A 54 -7.512 0.917 -11.335 1.00 0.00 C ATOM 831 O HIS A 54 -8.297 -0.032 -11.325 1.00 0.00 O ATOM 832 CB HIS A 54 -6.566 0.167 -13.566 1.00 0.00 C ATOM 833 CG HIS A 54 -5.423 0.169 -14.544 1.00 0.00 C ATOM 834 ND1 HIS A 54 -5.420 0.923 -15.695 1.00 0.00 N ATOM 835 CD2 HIS A 54 -4.252 -0.513 -14.549 1.00 0.00 C ATOM 836 CE1 HIS A 54 -4.310 0.700 -16.365 1.00 0.00 C ATOM 837 NE2 HIS A 54 -3.586 -0.164 -15.690 1.00 0.00 N ATOM 0 H HIS A 54 -4.979 -0.751 -11.828 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.944 1.899 -12.443 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.852 -0.865 -13.361 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.426 0.650 -14.030 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -6.164 1.558 -15.984 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.909 -1.203 -13.793 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -4.040 1.150 -17.309 1.00 0.00 H new ATOM 846 N MET A 55 -7.676 2.008 -10.578 1.00 0.00 N ATOM 847 CA MET A 55 -8.782 2.151 -9.625 1.00 0.00 C ATOM 848 C MET A 55 -10.001 2.755 -10.349 1.00 0.00 C ATOM 849 O MET A 55 -9.998 3.934 -10.699 1.00 0.00 O ATOM 850 CB MET A 55 -8.365 3.035 -8.425 1.00 0.00 C ATOM 851 CG MET A 55 -9.422 3.115 -7.315 1.00 0.00 C ATOM 852 SD MET A 55 -9.037 4.351 -6.058 1.00 0.00 S ATOM 853 CE MET A 55 -7.452 3.763 -5.464 1.00 0.00 C ATOM 0 H MET A 55 -7.049 2.812 -10.608 1.00 0.00 H new ATOM 0 HA MET A 55 -9.046 1.168 -9.234 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.438 2.645 -8.004 1.00 0.00 H new ATOM 0 HB3 MET A 55 -8.153 4.042 -8.784 1.00 0.00 H new ATOM 0 HG2 MET A 55 -10.390 3.347 -7.759 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.515 2.139 -6.839 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.121 4.386 -4.633 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.550 2.731 -5.127 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.720 3.813 -6.270 1.00 0.00 H new ATOM 863 N ALA A 56 -11.020 1.919 -10.566 1.00 0.00 N ATOM 864 CA ALA A 56 -12.258 2.280 -11.271 1.00 0.00 C ATOM 865 C ALA A 56 -13.411 2.313 -10.261 1.00 0.00 C ATOM 866 O ALA A 56 -13.551 1.392 -9.454 1.00 0.00 O ATOM 867 CB ALA A 56 -12.541 1.249 -12.380 1.00 0.00 C ATOM 0 H ALA A 56 -11.009 0.949 -10.250 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.155 3.263 -11.731 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.459 1.518 -12.902 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.712 1.239 -13.087 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.652 0.259 -11.937 1.00 0.00 H new ATOM 873 N ALA A 57 -14.215 3.382 -10.301 1.00 0.00 N ATOM 874 CA ALA A 57 -15.430 3.502 -9.480 1.00 0.00 C ATOM 875 C ALA A 57 -16.482 2.481 -9.959 1.00 0.00 C ATOM 876 O ALA A 57 -16.560 2.198 -11.160 1.00 0.00 O ATOM 877 CB ALA A 57 -15.964 4.939 -9.545 1.00 0.00 C ATOM 0 H ALA A 57 -14.044 4.188 -10.902 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.196 3.281 -8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -16.864 5.021 -8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.206 5.626 -9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.202 5.192 -10.578 1.00 0.00 H new ATOM 883 N LYS A 58 -17.282 1.947 -9.010 1.00 0.00 N ATOM 884 CA LYS A 58 -18.274 0.876 -9.285 1.00 0.00 C ATOM 885 C LYS A 58 -19.394 1.368 -10.232 1.00 0.00 C ATOM 886 O LYS A 58 -19.933 0.588 -11.016 1.00 0.00 O ATOM 887 CB LYS A 58 -18.878 0.309 -7.963 1.00 0.00 C ATOM 888 CG LYS A 58 -19.574 1.352 -7.071 1.00 0.00 C ATOM 889 CD LYS A 58 -20.397 0.716 -5.920 1.00 0.00 C ATOM 890 CE LYS A 58 -19.556 -0.176 -4.997 1.00 0.00 C ATOM 891 NZ LYS A 58 -20.343 -0.685 -3.839 1.00 0.00 N ATOM 0 H LYS A 58 -17.261 2.243 -8.034 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.743 0.068 -9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.597 -0.471 -8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.081 -0.164 -7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.823 2.018 -6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.233 1.965 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.856 1.509 -5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.208 0.125 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.164 -1.019 -5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.698 0.388 -4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.736 -1.283 -3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.696 0.118 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.147 -1.246 -4.186 1.00 0.00 H new ATOM 905 N ASP A 59 -19.725 2.667 -10.143 1.00 0.00 N ATOM 906 CA ASP A 59 -20.692 3.329 -11.058 1.00 0.00 C ATOM 907 C ASP A 59 -20.083 3.518 -12.464 1.00 0.00 C ATOM 908 O ASP A 59 -20.803 3.544 -13.467 1.00 0.00 O ATOM 909 CB ASP A 59 -21.124 4.686 -10.455 1.00 0.00 C ATOM 910 CG ASP A 59 -19.937 5.621 -10.179 1.00 0.00 C ATOM 911 OD1 ASP A 59 -19.238 5.424 -9.161 1.00 0.00 O ATOM 912 OD2 ASP A 59 -19.689 6.541 -10.976 1.00 0.00 O ATOM 0 H ASP A 59 -19.335 3.293 -9.439 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.570 2.693 -11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.816 5.178 -11.138 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.665 4.509 -9.525 1.00 0.00 H new ATOM 917 N GLY A 60 -18.743 3.626 -12.512 1.00 0.00 N ATOM 918 CA GLY A 60 -17.991 3.643 -13.769 1.00 0.00 C ATOM 919 C GLY A 60 -17.792 5.023 -14.393 1.00 0.00 C ATOM 920 O GLY A 60 -17.369 5.108 -15.546 1.00 0.00 O ATOM 0 H GLY A 60 -18.157 3.703 -11.681 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.012 3.197 -13.593 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -18.506 3.008 -14.490 1.00 0.00 H new ATOM 924 N SER A 61 -18.088 6.108 -13.644 1.00 0.00 N ATOM 925 CA SER A 61 -17.902 7.490 -14.144 1.00 0.00 C ATOM 926 C SER A 61 -16.423 7.912 -14.073 1.00 0.00 C ATOM 927 O SER A 61 -15.888 8.479 -15.032 1.00 0.00 O ATOM 928 CB SER A 61 -18.795 8.485 -13.363 1.00 0.00 C ATOM 929 OG SER A 61 -18.717 9.806 -13.890 1.00 0.00 O ATOM 0 H SER A 61 -18.456 6.055 -12.694 1.00 0.00 H new ATOM 0 HA SER A 61 -18.206 7.509 -15.190 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.830 8.144 -13.394 1.00 0.00 H new ATOM 0 HB3 SER A 61 -18.494 8.495 -12.315 1.00 0.00 H new ATOM 0 HG SER A 61 -19.296 10.401 -13.369 1.00 0.00 H new ATOM 935 N ALA A 62 -15.769 7.633 -12.935 1.00 0.00 N ATOM 936 CA ALA A 62 -14.353 8.009 -12.707 1.00 0.00 C ATOM 937 C ALA A 62 -13.466 6.765 -12.571 1.00 0.00 C ATOM 938 O ALA A 62 -13.914 5.725 -12.084 1.00 0.00 O ATOM 939 CB ALA A 62 -14.228 8.901 -11.465 1.00 0.00 C ATOM 0 H ALA A 62 -16.197 7.144 -12.149 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.009 8.572 -13.575 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.182 9.168 -11.312 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.817 9.807 -11.607 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.596 8.363 -10.592 1.00 0.00 H new ATOM 945 N GLY A 63 -12.200 6.910 -12.990 1.00 0.00 N ATOM 946 CA GLY A 63 -11.221 5.832 -12.971 1.00 0.00 C ATOM 947 C GLY A 63 -9.811 6.401 -13.039 1.00 0.00 C ATOM 948 O GLY A 63 -9.387 6.869 -14.096 1.00 0.00 O ATOM 0 H GLY A 63 -11.832 7.789 -13.353 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.339 5.240 -12.063 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.391 5.161 -13.813 1.00 0.00 H new ATOM 952 N PHE A 64 -9.101 6.396 -11.899 1.00 0.00 N ATOM 953 CA PHE A 64 -7.750 6.988 -11.772 1.00 0.00 C ATOM 954 C PHE A 64 -6.686 5.884 -11.789 1.00 0.00 C ATOM 955 O PHE A 64 -6.856 4.845 -11.141 1.00 0.00 O ATOM 956 CB PHE A 64 -7.651 7.815 -10.463 1.00 0.00 C ATOM 957 CG PHE A 64 -8.518 9.085 -10.458 1.00 0.00 C ATOM 958 CD1 PHE A 64 -9.911 9.003 -10.491 1.00 0.00 C ATOM 959 CD2 PHE A 64 -7.940 10.358 -10.436 1.00 0.00 C ATOM 960 CE1 PHE A 64 -10.698 10.143 -10.507 1.00 0.00 C ATOM 961 CE2 PHE A 64 -8.730 11.497 -10.446 1.00 0.00 C ATOM 962 CZ PHE A 64 -10.108 11.390 -10.486 1.00 0.00 C ATOM 0 H PHE A 64 -9.445 5.981 -11.033 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.575 7.653 -12.618 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.944 7.184 -9.624 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.611 8.097 -10.301 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -10.384 8.032 -10.504 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.865 10.455 -10.411 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -11.774 10.056 -10.536 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.267 12.472 -10.422 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.720 12.279 -10.501 1.00 0.00 H new ATOM 972 N ASP A 65 -5.599 6.129 -12.539 1.00 0.00 N ATOM 973 CA ASP A 65 -4.449 5.204 -12.642 1.00 0.00 C ATOM 974 C ASP A 65 -3.458 5.480 -11.501 1.00 0.00 C ATOM 975 O ASP A 65 -2.831 6.539 -11.466 1.00 0.00 O ATOM 976 CB ASP A 65 -3.729 5.352 -14.014 1.00 0.00 C ATOM 977 CG ASP A 65 -4.621 4.968 -15.202 1.00 0.00 C ATOM 978 OD1 ASP A 65 -4.813 3.758 -15.442 1.00 0.00 O ATOM 979 OD2 ASP A 65 -5.147 5.867 -15.894 1.00 0.00 O ATOM 0 H ASP A 65 -5.489 6.977 -13.095 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.824 4.183 -12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.396 6.383 -14.134 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.836 4.726 -14.019 1.00 0.00 H new ATOM 984 N PHE A 66 -3.315 4.518 -10.576 1.00 0.00 N ATOM 985 CA PHE A 66 -2.366 4.617 -9.444 1.00 0.00 C ATOM 986 C PHE A 66 -1.066 3.908 -9.841 1.00 0.00 C ATOM 987 O PHE A 66 -0.740 2.811 -9.365 1.00 0.00 O ATOM 988 CB PHE A 66 -3.002 4.049 -8.131 1.00 0.00 C ATOM 989 CG PHE A 66 -4.034 4.993 -7.512 1.00 0.00 C ATOM 990 CD1 PHE A 66 -5.228 5.289 -8.176 1.00 0.00 C ATOM 991 CD2 PHE A 66 -3.795 5.607 -6.284 1.00 0.00 C ATOM 992 CE1 PHE A 66 -6.145 6.170 -7.627 1.00 0.00 C ATOM 993 CE2 PHE A 66 -4.715 6.481 -5.735 1.00 0.00 C ATOM 994 CZ PHE A 66 -5.889 6.765 -6.409 1.00 0.00 C ATOM 0 H PHE A 66 -3.850 3.650 -10.587 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.133 5.660 -9.228 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.477 3.092 -8.348 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.212 3.856 -7.405 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.438 4.825 -9.128 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.878 5.397 -5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.062 6.391 -8.153 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.517 6.942 -4.779 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.605 7.452 -5.982 1.00 0.00 H new ATOM 1004 N THR A 67 -0.361 4.557 -10.782 1.00 0.00 N ATOM 1005 CA THR A 67 0.910 4.084 -11.317 1.00 0.00 C ATOM 1006 C THR A 67 2.067 4.580 -10.435 1.00 0.00 C ATOM 1007 O THR A 67 1.923 5.575 -9.714 1.00 0.00 O ATOM 1008 CB THR A 67 1.113 4.594 -12.779 1.00 0.00 C ATOM 1009 OG1 THR A 67 1.113 6.033 -12.812 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.022 4.089 -13.728 1.00 0.00 C ATOM 0 H THR A 67 -0.670 5.438 -11.194 1.00 0.00 H new ATOM 0 HA THR A 67 0.898 2.994 -11.322 1.00 0.00 H new ATOM 0 HB THR A 67 2.074 4.202 -13.114 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.243 6.339 -13.734 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.208 4.471 -14.732 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.032 2.999 -13.747 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.951 4.437 -13.382 1.00 0.00 H new ATOM 1018 N GLY A 68 3.198 3.880 -10.516 1.00 0.00 N ATOM 1019 CA GLY A 68 4.386 4.217 -9.751 1.00 0.00 C ATOM 1020 C GLY A 68 5.478 3.193 -9.963 1.00 0.00 C ATOM 1021 O GLY A 68 5.252 2.183 -10.617 1.00 0.00 O ATOM 0 H GLY A 68 3.311 3.063 -11.116 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.745 5.203 -10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.136 4.273 -8.691 1.00 0.00 H new ATOM 1025 N THR A 69 6.657 3.435 -9.385 1.00 0.00 N ATOM 1026 CA THR A 69 7.818 2.549 -9.537 1.00 0.00 C ATOM 1027 C THR A 69 8.469 2.323 -8.162 1.00 0.00 C ATOM 1028 O THR A 69 8.710 3.287 -7.417 1.00 0.00 O ATOM 1029 CB THR A 69 8.853 3.164 -10.548 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.202 3.401 -11.813 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.076 2.250 -10.762 1.00 0.00 C ATOM 0 H THR A 69 6.836 4.250 -8.798 1.00 0.00 H new ATOM 0 HA THR A 69 7.489 1.590 -9.938 1.00 0.00 H new ATOM 0 HB THR A 69 9.214 4.100 -10.122 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.845 3.786 -12.445 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.761 2.719 -11.468 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.585 2.095 -9.811 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.747 1.289 -11.159 1.00 0.00 H new ATOM 1039 N PHE A 70 8.710 1.041 -7.829 1.00 0.00 N ATOM 1040 CA PHE A 70 9.468 0.644 -6.642 1.00 0.00 C ATOM 1041 C PHE A 70 10.918 1.142 -6.766 1.00 0.00 C ATOM 1042 O PHE A 70 11.660 0.718 -7.656 1.00 0.00 O ATOM 1043 CB PHE A 70 9.437 -0.892 -6.468 1.00 0.00 C ATOM 1044 CG PHE A 70 8.037 -1.478 -6.293 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.357 -1.344 -5.084 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.399 -2.149 -7.333 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.084 -1.864 -4.920 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.132 -2.667 -7.169 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.474 -2.528 -5.963 1.00 0.00 C ATOM 0 H PHE A 70 8.379 0.252 -8.384 1.00 0.00 H new ATOM 0 HA PHE A 70 9.011 1.094 -5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.905 -1.354 -7.337 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.041 -1.160 -5.601 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.830 -0.827 -4.262 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.903 -2.265 -8.281 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.570 -1.750 -3.977 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.652 -3.184 -7.987 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.483 -2.939 -5.837 1.00 0.00 H new ATOM 1059 N THR A 71 11.297 2.060 -5.876 1.00 0.00 N ATOM 1060 CA THR A 71 12.611 2.718 -5.907 1.00 0.00 C ATOM 1061 C THR A 71 13.613 1.994 -4.970 1.00 0.00 C ATOM 1062 O THR A 71 14.829 2.179 -5.095 1.00 0.00 O ATOM 1063 CB THR A 71 12.457 4.245 -5.558 1.00 0.00 C ATOM 1064 OG1 THR A 71 13.715 4.933 -5.669 1.00 0.00 O ATOM 1065 CG2 THR A 71 11.861 4.475 -4.161 1.00 0.00 C ATOM 0 H THR A 71 10.701 2.372 -5.109 1.00 0.00 H new ATOM 0 HA THR A 71 13.022 2.652 -6.914 1.00 0.00 H new ATOM 0 HB THR A 71 11.758 4.654 -6.288 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.591 5.880 -5.448 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.777 5.545 -3.973 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.873 4.019 -4.107 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.510 4.024 -3.410 1.00 0.00 H new ATOM 1073 N ARG A 72 13.083 1.146 -4.057 1.00 0.00 N ATOM 1074 CA ARG A 72 13.883 0.355 -3.094 1.00 0.00 C ATOM 1075 C ARG A 72 12.990 -0.757 -2.498 1.00 0.00 C ATOM 1076 O ARG A 72 11.921 -0.461 -1.978 1.00 0.00 O ATOM 1077 CB ARG A 72 14.426 1.291 -1.973 1.00 0.00 C ATOM 1078 CG ARG A 72 15.124 0.593 -0.785 1.00 0.00 C ATOM 1079 CD ARG A 72 15.655 1.604 0.254 1.00 0.00 C ATOM 1080 NE ARG A 72 16.190 0.936 1.449 1.00 0.00 N ATOM 1081 CZ ARG A 72 16.748 1.558 2.498 1.00 0.00 C ATOM 1082 NH1 ARG A 72 16.884 2.879 2.522 1.00 0.00 N ATOM 1083 NH2 ARG A 72 17.156 0.853 3.529 1.00 0.00 N ATOM 0 H ARG A 72 12.079 0.991 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 72 14.734 -0.104 -3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.131 1.991 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.595 1.880 -1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.422 -0.087 -0.302 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.951 -0.012 -1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.436 2.214 -0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.851 2.280 0.546 1.00 0.00 H new ATOM 0 HE ARG A 72 16.132 -0.082 1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.561 3.439 1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.311 3.333 3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.048 -0.161 3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.581 1.320 4.330 1.00 0.00 H new ATOM 1097 N VAL A 73 13.430 -2.032 -2.581 1.00 0.00 N ATOM 1098 CA VAL A 73 12.618 -3.202 -2.136 1.00 0.00 C ATOM 1099 C VAL A 73 13.487 -4.148 -1.301 1.00 0.00 C ATOM 1100 O VAL A 73 14.473 -4.689 -1.800 1.00 0.00 O ATOM 1101 CB VAL A 73 11.992 -4.017 -3.345 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.129 -5.209 -2.851 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.170 -3.094 -4.259 1.00 0.00 C ATOM 0 H VAL A 73 14.346 -2.285 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 73 11.794 -2.803 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 73 12.820 -4.429 -3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.719 -5.741 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.748 -5.888 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.313 -4.836 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.751 -3.675 -5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.361 -2.640 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.814 -2.311 -4.660 1.00 0.00 H new ATOM 1113 N GLU A 74 13.119 -4.315 -0.025 1.00 0.00 N ATOM 1114 CA GLU A 74 13.773 -5.245 0.907 1.00 0.00 C ATOM 1115 C GLU A 74 12.706 -6.175 1.505 1.00 0.00 C ATOM 1116 O GLU A 74 12.089 -5.861 2.524 1.00 0.00 O ATOM 1117 CB GLU A 74 14.516 -4.440 2.011 1.00 0.00 C ATOM 1118 CG GLU A 74 15.667 -3.557 1.485 1.00 0.00 C ATOM 1119 CD GLU A 74 16.284 -2.664 2.562 1.00 0.00 C ATOM 1120 OE1 GLU A 74 15.682 -1.627 2.887 1.00 0.00 O ATOM 1121 OE2 GLU A 74 17.364 -2.999 3.104 1.00 0.00 O ATOM 0 H GLU A 74 12.346 -3.800 0.397 1.00 0.00 H new ATOM 0 HA GLU A 74 14.512 -5.854 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.796 -3.807 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.916 -5.138 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.443 -4.196 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.295 -2.932 0.674 1.00 0.00 H new ATOM 1128 N ALA A 75 12.483 -7.305 0.827 1.00 0.00 N ATOM 1129 CA ALA A 75 11.442 -8.277 1.183 1.00 0.00 C ATOM 1130 C ALA A 75 11.830 -9.069 2.447 1.00 0.00 C ATOM 1131 O ALA A 75 12.943 -9.605 2.510 1.00 0.00 O ATOM 1132 CB ALA A 75 11.218 -9.233 0.003 1.00 0.00 C ATOM 0 H ALA A 75 13.026 -7.574 0.006 1.00 0.00 H new ATOM 0 HA ALA A 75 10.519 -7.739 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.446 -9.957 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.903 -8.664 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.147 -9.758 -0.221 1.00 0.00 H new ATOM 1138 N PRO A 76 10.934 -9.154 3.487 1.00 0.00 N ATOM 1139 CA PRO A 76 9.644 -8.431 3.584 1.00 0.00 C ATOM 1140 C PRO A 76 9.677 -7.246 4.586 1.00 0.00 C ATOM 1141 O PRO A 76 8.629 -6.765 5.015 1.00 0.00 O ATOM 1142 CB PRO A 76 8.732 -9.571 4.096 1.00 0.00 C ATOM 1143 CG PRO A 76 9.624 -10.436 4.966 1.00 0.00 C ATOM 1144 CD PRO A 76 11.068 -10.048 4.656 1.00 0.00 C ATOM 0 HA PRO A 76 9.335 -7.959 2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.891 -9.176 4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.315 -10.144 3.267 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.401 -10.279 6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.456 -11.493 4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.539 -9.541 5.499 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.679 -10.921 4.427 1.00 0.00 H new ATOM 1152 N THR A 77 10.891 -6.768 4.907 1.00 0.00 N ATOM 1153 CA THR A 77 11.140 -5.877 6.050 1.00 0.00 C ATOM 1154 C THR A 77 10.804 -4.404 5.751 1.00 0.00 C ATOM 1155 O THR A 77 10.215 -3.711 6.590 1.00 0.00 O ATOM 1156 CB THR A 77 12.627 -6.006 6.494 1.00 0.00 C ATOM 1157 OG1 THR A 77 13.493 -5.701 5.389 1.00 0.00 O ATOM 1158 CG2 THR A 77 12.930 -7.420 7.020 1.00 0.00 C ATOM 0 H THR A 77 11.733 -6.991 4.376 1.00 0.00 H new ATOM 0 HA THR A 77 10.475 -6.191 6.855 1.00 0.00 H new ATOM 0 HB THR A 77 12.803 -5.297 7.303 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.427 -5.782 5.674 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.976 -7.479 7.322 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.292 -7.634 7.877 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.738 -8.150 6.233 1.00 0.00 H new ATOM 1166 N ARG A 78 11.219 -3.919 4.574 1.00 0.00 N ATOM 1167 CA ARG A 78 10.988 -2.526 4.138 1.00 0.00 C ATOM 1168 C ARG A 78 10.596 -2.502 2.658 1.00 0.00 C ATOM 1169 O ARG A 78 11.081 -3.307 1.860 1.00 0.00 O ATOM 1170 CB ARG A 78 12.260 -1.637 4.381 1.00 0.00 C ATOM 1171 CG ARG A 78 12.546 -1.309 5.866 1.00 0.00 C ATOM 1172 CD ARG A 78 13.795 -0.422 6.070 1.00 0.00 C ATOM 1173 NE ARG A 78 15.038 -1.093 5.645 1.00 0.00 N ATOM 1174 CZ ARG A 78 16.281 -0.776 6.063 1.00 0.00 C ATOM 1175 NH1 ARG A 78 16.491 0.230 6.909 1.00 0.00 N ATOM 1176 NH2 ARG A 78 17.319 -1.447 5.590 1.00 0.00 N ATOM 0 H ARG A 78 11.727 -4.480 3.891 1.00 0.00 H new ATOM 0 HA ARG A 78 10.173 -2.112 4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.128 -2.146 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.143 -0.702 3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.679 -0.805 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.677 -2.240 6.417 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.675 0.504 5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.875 -0.148 7.122 1.00 0.00 H new ATOM 0 HE ARG A 78 14.950 -1.861 4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.704 0.779 7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.439 0.452 7.212 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.176 -2.198 4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.262 -1.213 5.901 1.00 0.00 H new ATOM 1190 N LEU A 79 9.704 -1.576 2.300 1.00 0.00 N ATOM 1191 CA LEU A 79 9.301 -1.349 0.912 1.00 0.00 C ATOM 1192 C LEU A 79 9.243 0.148 0.667 1.00 0.00 C ATOM 1193 O LEU A 79 8.725 0.890 1.497 1.00 0.00 O ATOM 1194 CB LEU A 79 7.921 -2.001 0.618 1.00 0.00 C ATOM 1195 CG LEU A 79 7.443 -1.947 -0.866 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.488 -2.559 -1.822 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.069 -2.634 -1.037 1.00 0.00 C ATOM 0 H LEU A 79 9.240 -0.961 2.968 1.00 0.00 H new ATOM 0 HA LEU A 79 10.028 -1.809 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.961 -3.045 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.170 -1.512 1.239 1.00 0.00 H new ATOM 0 HG LEU A 79 7.329 -0.896 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.120 -2.504 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.423 -2.005 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.660 -3.601 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.763 -2.580 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.144 -3.678 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.330 -2.129 -0.416 1.00 0.00 H new ATOM 1209 N SER A 80 9.781 0.584 -0.472 1.00 0.00 N ATOM 1210 CA SER A 80 9.790 1.992 -0.864 1.00 0.00 C ATOM 1211 C SER A 80 9.455 2.100 -2.356 1.00 0.00 C ATOM 1212 O SER A 80 10.007 1.367 -3.191 1.00 0.00 O ATOM 1213 CB SER A 80 11.158 2.627 -0.556 1.00 0.00 C ATOM 1214 OG SER A 80 11.137 4.021 -0.816 1.00 0.00 O ATOM 0 H SER A 80 10.225 -0.033 -1.152 1.00 0.00 H new ATOM 0 HA SER A 80 9.038 2.536 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.419 2.451 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.929 2.151 -1.162 1.00 0.00 H new ATOM 0 HG SER A 80 11.303 4.511 0.016 1.00 0.00 H new ATOM 1220 N PHE A 81 8.559 3.030 -2.679 1.00 0.00 N ATOM 1221 CA PHE A 81 8.015 3.209 -4.020 1.00 0.00 C ATOM 1222 C PHE A 81 7.480 4.635 -4.161 1.00 0.00 C ATOM 1223 O PHE A 81 6.878 5.176 -3.229 1.00 0.00 O ATOM 1224 CB PHE A 81 6.908 2.162 -4.318 1.00 0.00 C ATOM 1225 CG PHE A 81 5.796 2.040 -3.260 1.00 0.00 C ATOM 1226 CD1 PHE A 81 5.934 1.174 -2.174 1.00 0.00 C ATOM 1227 CD2 PHE A 81 4.609 2.767 -3.366 1.00 0.00 C ATOM 1228 CE1 PHE A 81 4.928 1.037 -1.235 1.00 0.00 C ATOM 1229 CE2 PHE A 81 3.604 2.631 -2.422 1.00 0.00 C ATOM 1230 CZ PHE A 81 3.765 1.766 -1.360 1.00 0.00 C ATOM 0 H PHE A 81 8.184 3.693 -2.001 1.00 0.00 H new ATOM 0 HA PHE A 81 8.808 3.054 -4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.448 2.411 -5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.380 1.186 -4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.843 0.601 -2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.472 3.445 -4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.054 0.359 -0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.693 3.203 -2.518 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.980 1.660 -0.626 1.00 0.00 H new ATOM 1240 N VAL A 82 7.690 5.218 -5.342 1.00 0.00 N ATOM 1241 CA VAL A 82 7.294 6.593 -5.649 1.00 0.00 C ATOM 1242 C VAL A 82 6.245 6.546 -6.757 1.00 0.00 C ATOM 1243 O VAL A 82 6.518 6.021 -7.848 1.00 0.00 O ATOM 1244 CB VAL A 82 8.531 7.456 -6.107 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.117 8.914 -6.429 1.00 0.00 C ATOM 1246 CG2 VAL A 82 9.662 7.415 -5.050 1.00 0.00 C ATOM 0 H VAL A 82 8.145 4.743 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 82 6.885 7.062 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 82 8.917 7.015 -7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.994 9.481 -6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.380 8.914 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.685 9.374 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.502 8.019 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.291 7.812 -4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.990 6.385 -4.907 1.00 0.00 H new ATOM 1256 N MET A 83 5.051 7.111 -6.488 1.00 0.00 N ATOM 1257 CA MET A 83 3.941 7.093 -7.457 1.00 0.00 C ATOM 1258 C MET A 83 4.054 8.294 -8.408 1.00 0.00 C ATOM 1259 O MET A 83 4.958 9.139 -8.277 1.00 0.00 O ATOM 1260 CB MET A 83 2.532 7.031 -6.774 1.00 0.00 C ATOM 1261 CG MET A 83 2.313 7.977 -5.587 1.00 0.00 C ATOM 1262 SD MET A 83 2.984 7.306 -4.051 1.00 0.00 S ATOM 1263 CE MET A 83 2.068 5.768 -3.894 1.00 0.00 C ATOM 0 H MET A 83 4.833 7.583 -5.611 1.00 0.00 H new ATOM 0 HA MET A 83 4.029 6.173 -8.035 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.776 7.247 -7.529 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.361 6.010 -6.434 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.783 8.938 -5.798 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.246 8.164 -5.465 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.381 5.249 -2.988 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.001 5.984 -3.838 1.00 0.00 H new ATOM 0 HE3 MET A 83 2.265 5.137 -4.760 1.00 0.00 H new ATOM 1273 N ASP A 84 3.108 8.352 -9.353 1.00 0.00 N ATOM 1274 CA ASP A 84 3.108 9.303 -10.483 1.00 0.00 C ATOM 1275 C ASP A 84 2.893 10.777 -10.036 1.00 0.00 C ATOM 1276 O ASP A 84 3.069 11.708 -10.831 1.00 0.00 O ATOM 1277 CB ASP A 84 2.024 8.849 -11.502 1.00 0.00 C ATOM 1278 CG ASP A 84 2.028 9.641 -12.824 1.00 0.00 C ATOM 1279 OD1 ASP A 84 3.062 9.617 -13.528 1.00 0.00 O ATOM 1280 OD2 ASP A 84 1.000 10.262 -13.171 1.00 0.00 O ATOM 0 H ASP A 84 2.301 7.728 -9.358 1.00 0.00 H new ATOM 0 HA ASP A 84 4.092 9.289 -10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.171 7.792 -11.724 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.042 8.944 -11.038 1.00 0.00 H new ATOM 1285 N ASP A 85 2.531 10.984 -8.750 1.00 0.00 N ATOM 1286 CA ASP A 85 2.386 12.338 -8.166 1.00 0.00 C ATOM 1287 C ASP A 85 3.740 12.865 -7.622 1.00 0.00 C ATOM 1288 O ASP A 85 3.962 14.077 -7.539 1.00 0.00 O ATOM 1289 CB ASP A 85 1.309 12.329 -7.042 1.00 0.00 C ATOM 1290 CG ASP A 85 0.994 13.746 -6.516 1.00 0.00 C ATOM 1291 OD1 ASP A 85 0.317 14.516 -7.224 1.00 0.00 O ATOM 1292 OD2 ASP A 85 1.434 14.108 -5.403 1.00 0.00 O ATOM 0 H ASP A 85 2.333 10.228 -8.094 1.00 0.00 H new ATOM 0 HA ASP A 85 2.061 13.014 -8.957 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.394 11.874 -7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.655 11.707 -6.217 1.00 0.00 H new ATOM 1297 N GLY A 86 4.668 11.943 -7.322 1.00 0.00 N ATOM 1298 CA GLY A 86 5.958 12.288 -6.701 1.00 0.00 C ATOM 1299 C GLY A 86 5.988 12.034 -5.204 1.00 0.00 C ATOM 1300 O GLY A 86 6.961 12.387 -4.530 1.00 0.00 O ATOM 0 H GLY A 86 4.548 10.946 -7.501 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.749 11.709 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.175 13.340 -6.889 1.00 0.00 H new ATOM 1304 N ARG A 87 4.902 11.442 -4.679 1.00 0.00 N ATOM 1305 CA ARG A 87 4.827 11.002 -3.282 1.00 0.00 C ATOM 1306 C ARG A 87 5.761 9.795 -3.092 1.00 0.00 C ATOM 1307 O ARG A 87 5.519 8.726 -3.667 1.00 0.00 O ATOM 1308 CB ARG A 87 3.355 10.663 -2.908 1.00 0.00 C ATOM 1309 CG ARG A 87 2.323 11.780 -3.216 1.00 0.00 C ATOM 1310 CD ARG A 87 2.363 12.987 -2.255 1.00 0.00 C ATOM 1311 NE ARG A 87 3.670 13.681 -2.184 1.00 0.00 N ATOM 1312 CZ ARG A 87 3.996 14.846 -2.775 1.00 0.00 C ATOM 1313 NH1 ARG A 87 3.128 15.523 -3.508 1.00 0.00 N ATOM 1314 NH2 ARG A 87 5.206 15.335 -2.599 1.00 0.00 N ATOM 0 H ARG A 87 4.053 11.257 -5.214 1.00 0.00 H new ATOM 0 HA ARG A 87 5.153 11.799 -2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.060 9.760 -3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.311 10.433 -1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.490 12.138 -4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.323 11.347 -3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.603 13.705 -2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.093 12.647 -1.255 1.00 0.00 H new ATOM 0 HE ARG A 87 4.398 13.230 -1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.182 15.165 -3.638 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.405 16.403 -3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.880 14.832 -2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.469 16.216 -3.040 1.00 0.00 H new ATOM 1328 N GLU A 88 6.858 10.014 -2.348 1.00 0.00 N ATOM 1329 CA GLU A 88 7.874 8.985 -2.062 1.00 0.00 C ATOM 1330 C GLU A 88 7.465 8.204 -0.791 1.00 0.00 C ATOM 1331 O GLU A 88 7.657 8.671 0.330 1.00 0.00 O ATOM 1332 CB GLU A 88 9.255 9.683 -1.876 1.00 0.00 C ATOM 1333 CG GLU A 88 9.693 10.574 -3.064 1.00 0.00 C ATOM 1334 CD GLU A 88 11.078 11.228 -2.884 1.00 0.00 C ATOM 1335 OE1 GLU A 88 12.096 10.510 -2.948 1.00 0.00 O ATOM 1336 OE2 GLU A 88 11.153 12.462 -2.682 1.00 0.00 O ATOM 0 H GLU A 88 7.067 10.918 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 88 7.949 8.277 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.220 10.294 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.015 8.918 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.703 9.971 -3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.949 11.357 -3.210 1.00 0.00 H new ATOM 1343 N VAL A 89 6.926 7.000 -0.984 1.00 0.00 N ATOM 1344 CA VAL A 89 6.243 6.227 0.078 1.00 0.00 C ATOM 1345 C VAL A 89 7.124 5.062 0.553 1.00 0.00 C ATOM 1346 O VAL A 89 7.634 4.314 -0.264 1.00 0.00 O ATOM 1347 CB VAL A 89 4.865 5.685 -0.464 1.00 0.00 C ATOM 1348 CG1 VAL A 89 4.095 4.864 0.597 1.00 0.00 C ATOM 1349 CG2 VAL A 89 4.017 6.862 -0.976 1.00 0.00 C ATOM 0 H VAL A 89 6.946 6.522 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 89 6.061 6.884 0.929 1.00 0.00 H new ATOM 0 HB VAL A 89 5.072 5.002 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.154 4.514 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.697 4.008 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.891 5.491 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.064 6.488 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.836 7.562 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.549 7.371 -1.780 1.00 0.00 H new ATOM 1359 N ASP A 90 7.283 4.924 1.885 1.00 0.00 N ATOM 1360 CA ASP A 90 8.052 3.836 2.519 1.00 0.00 C ATOM 1361 C ASP A 90 7.134 3.088 3.488 1.00 0.00 C ATOM 1362 O ASP A 90 6.860 3.567 4.593 1.00 0.00 O ATOM 1363 CB ASP A 90 9.267 4.416 3.304 1.00 0.00 C ATOM 1364 CG ASP A 90 10.306 5.095 2.406 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.047 6.218 1.925 1.00 0.00 O ATOM 1366 OD2 ASP A 90 11.392 4.522 2.179 1.00 0.00 O ATOM 0 H ASP A 90 6.876 5.573 2.558 1.00 0.00 H new ATOM 0 HA ASP A 90 8.424 3.160 1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.905 5.137 4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.749 3.611 3.859 1.00 0.00 H new ATOM 1371 N VAL A 91 6.674 1.903 3.079 1.00 0.00 N ATOM 1372 CA VAL A 91 5.863 1.021 3.926 1.00 0.00 C ATOM 1373 C VAL A 91 6.783 -0.074 4.494 1.00 0.00 C ATOM 1374 O VAL A 91 7.256 -0.940 3.759 1.00 0.00 O ATOM 1375 CB VAL A 91 4.644 0.396 3.139 1.00 0.00 C ATOM 1376 CG1 VAL A 91 3.733 -0.423 4.089 1.00 0.00 C ATOM 1377 CG2 VAL A 91 3.843 1.502 2.419 1.00 0.00 C ATOM 0 H VAL A 91 6.853 1.526 2.148 1.00 0.00 H new ATOM 0 HA VAL A 91 5.427 1.603 4.738 1.00 0.00 H new ATOM 0 HB VAL A 91 5.036 -0.287 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.901 -0.843 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.310 -1.231 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.346 0.228 4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.007 1.055 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.464 2.213 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.492 2.020 1.713 1.00 0.00 H new ATOM 1387 N GLN A 92 7.036 -0.001 5.800 1.00 0.00 N ATOM 1388 CA GLN A 92 7.912 -0.922 6.531 1.00 0.00 C ATOM 1389 C GLN A 92 7.040 -1.971 7.231 1.00 0.00 C ATOM 1390 O GLN A 92 6.035 -1.631 7.851 1.00 0.00 O ATOM 1391 CB GLN A 92 8.725 -0.108 7.582 1.00 0.00 C ATOM 1392 CG GLN A 92 9.596 -0.948 8.544 1.00 0.00 C ATOM 1393 CD GLN A 92 10.351 -0.106 9.590 1.00 0.00 C ATOM 1394 OE1 GLN A 92 10.724 1.041 9.332 1.00 0.00 O ATOM 1395 NE2 GLN A 92 10.580 -0.663 10.769 1.00 0.00 N ATOM 0 H GLN A 92 6.628 0.719 6.397 1.00 0.00 H new ATOM 0 HA GLN A 92 8.603 -1.422 5.853 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.371 0.593 7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.029 0.485 8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.961 -1.668 9.060 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.318 -1.520 7.961 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.260 -1.614 10.955 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.076 -0.142 11.492 1.00 0.00 H new ATOM 1404 N PHE A 93 7.416 -3.243 7.108 1.00 0.00 N ATOM 1405 CA PHE A 93 6.739 -4.353 7.782 1.00 0.00 C ATOM 1406 C PHE A 93 7.735 -4.928 8.792 1.00 0.00 C ATOM 1407 O PHE A 93 8.739 -5.536 8.408 1.00 0.00 O ATOM 1408 CB PHE A 93 6.298 -5.428 6.750 1.00 0.00 C ATOM 1409 CG PHE A 93 5.492 -4.888 5.551 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.136 -4.311 4.451 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.100 -4.948 5.529 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.411 -3.822 3.374 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.379 -4.460 4.447 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.035 -3.894 3.377 1.00 0.00 C ATOM 0 H PHE A 93 8.206 -3.536 6.533 1.00 0.00 H new ATOM 0 HA PHE A 93 5.835 -4.016 8.288 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.187 -5.934 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.697 -6.179 7.264 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.214 -4.245 4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.573 -5.381 6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.926 -3.384 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.301 -4.525 4.445 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.472 -3.507 2.541 1.00 0.00 H new ATOM 1424 N ALA A 94 7.483 -4.679 10.075 1.00 0.00 N ATOM 1425 CA ALA A 94 8.405 -5.039 11.164 1.00 0.00 C ATOM 1426 C ALA A 94 7.848 -6.233 11.948 1.00 0.00 C ATOM 1427 O ALA A 94 7.057 -6.054 12.869 1.00 0.00 O ATOM 1428 CB ALA A 94 8.654 -3.821 12.080 1.00 0.00 C ATOM 0 H ALA A 94 6.631 -4.220 10.396 1.00 0.00 H new ATOM 0 HA ALA A 94 9.365 -5.334 10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.338 -4.102 12.881 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.092 -3.011 11.497 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.709 -3.489 12.510 1.00 0.00 H new ATOM 1434 N SER A 95 8.253 -7.456 11.542 1.00 0.00 N ATOM 1435 CA SER A 95 7.800 -8.709 12.180 1.00 0.00 C ATOM 1436 C SER A 95 8.171 -8.756 13.671 1.00 0.00 C ATOM 1437 O SER A 95 9.233 -8.266 14.081 1.00 0.00 O ATOM 1438 CB SER A 95 8.387 -9.928 11.438 1.00 0.00 C ATOM 1439 OG SER A 95 9.803 -9.884 11.375 1.00 0.00 O ATOM 0 H SER A 95 8.900 -7.601 10.767 1.00 0.00 H new ATOM 0 HA SER A 95 6.713 -8.741 12.113 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.075 -10.843 11.942 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.981 -9.967 10.427 1.00 0.00 H new ATOM 0 HG SER A 95 10.134 -10.674 10.899 1.00 0.00 H new ATOM 1445 N GLU A 96 7.275 -9.346 14.463 1.00 0.00 N ATOM 1446 CA GLU A 96 7.412 -9.443 15.923 1.00 0.00 C ATOM 1447 C GLU A 96 6.821 -10.790 16.380 1.00 0.00 C ATOM 1448 O GLU A 96 5.935 -11.332 15.700 1.00 0.00 O ATOM 1449 CB GLU A 96 6.707 -8.231 16.611 1.00 0.00 C ATOM 1450 CG GLU A 96 5.194 -8.153 16.374 1.00 0.00 C ATOM 1451 CD GLU A 96 4.574 -6.844 16.865 1.00 0.00 C ATOM 1452 OE1 GLU A 96 4.523 -5.877 16.081 1.00 0.00 O ATOM 1453 OE2 GLU A 96 4.149 -6.769 18.037 1.00 0.00 O ATOM 0 H GLU A 96 6.421 -9.777 14.107 1.00 0.00 H new ATOM 0 HA GLU A 96 8.462 -9.406 16.213 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.891 -8.282 17.684 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.166 -7.309 16.252 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.993 -8.265 15.309 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.710 -8.989 16.879 1.00 0.00 H new ATOM 1460 N PRO A 97 7.321 -11.393 17.503 1.00 0.00 N ATOM 1461 CA PRO A 97 6.664 -12.570 18.115 1.00 0.00 C ATOM 1462 C PRO A 97 5.209 -12.230 18.529 1.00 0.00 C ATOM 1463 O PRO A 97 4.983 -11.641 19.587 1.00 0.00 O ATOM 1464 CB PRO A 97 7.574 -12.905 19.333 1.00 0.00 C ATOM 1465 CG PRO A 97 8.902 -12.278 19.004 1.00 0.00 C ATOM 1466 CD PRO A 97 8.574 -11.027 18.220 1.00 0.00 C ATOM 0 HA PRO A 97 6.568 -13.420 17.439 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.163 -12.499 20.257 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.668 -13.982 19.472 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.458 -12.039 19.910 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.522 -12.957 18.419 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.427 -10.168 18.875 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.373 -10.765 17.526 1.00 0.00 H new ATOM 1474 N GLY A 98 4.243 -12.546 17.636 1.00 0.00 N ATOM 1475 CA GLY A 98 2.815 -12.291 17.879 1.00 0.00 C ATOM 1476 C GLY A 98 2.159 -11.324 16.886 1.00 0.00 C ATOM 1477 O GLY A 98 1.054 -10.843 17.160 1.00 0.00 O ATOM 0 H GLY A 98 4.435 -12.982 16.734 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.280 -13.240 17.848 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.697 -11.891 18.886 1.00 0.00 H new ATOM 1481 N GLY A 99 2.814 -11.008 15.740 1.00 0.00 N ATOM 1482 CA GLY A 99 2.191 -10.146 14.708 1.00 0.00 C ATOM 1483 C GLY A 99 3.195 -9.458 13.782 1.00 0.00 C ATOM 1484 O GLY A 99 4.340 -9.894 13.667 1.00 0.00 O ATOM 0 H GLY A 99 3.754 -11.330 15.511 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.512 -10.750 14.106 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.587 -9.385 15.202 1.00 0.00 H new ATOM 1488 N THR A 100 2.752 -8.364 13.122 1.00 0.00 N ATOM 1489 CA THR A 100 3.588 -7.567 12.201 1.00 0.00 C ATOM 1490 C THR A 100 3.284 -6.074 12.405 1.00 0.00 C ATOM 1491 O THR A 100 2.154 -5.631 12.158 1.00 0.00 O ATOM 1492 CB THR A 100 3.296 -7.931 10.698 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.384 -9.347 10.508 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.272 -7.235 9.721 1.00 0.00 C ATOM 0 H THR A 100 1.800 -8.009 13.215 1.00 0.00 H new ATOM 0 HA THR A 100 4.633 -7.788 12.420 1.00 0.00 H new ATOM 0 HB THR A 100 2.288 -7.578 10.479 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.586 -9.777 10.880 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.027 -7.520 8.698 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.184 -6.154 9.828 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.293 -7.540 9.948 1.00 0.00 H new ATOM 1502 N TRP A 101 4.292 -5.308 12.835 1.00 0.00 N ATOM 1503 CA TRP A 101 4.175 -3.850 12.973 1.00 0.00 C ATOM 1504 C TRP A 101 4.375 -3.194 11.596 1.00 0.00 C ATOM 1505 O TRP A 101 5.503 -2.909 11.179 1.00 0.00 O ATOM 1506 CB TRP A 101 5.234 -3.344 13.991 1.00 0.00 C ATOM 1507 CG TRP A 101 5.134 -1.883 14.384 1.00 0.00 C ATOM 1508 CD1 TRP A 101 4.035 -1.070 14.342 1.00 0.00 C ATOM 1509 CD2 TRP A 101 6.193 -1.093 14.932 1.00 0.00 C ATOM 1510 NE1 TRP A 101 4.356 0.171 14.814 1.00 0.00 N ATOM 1511 CE2 TRP A 101 5.677 0.184 15.178 1.00 0.00 C ATOM 1512 CE3 TRP A 101 7.544 -1.348 15.220 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 6.451 1.206 15.719 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 8.312 -0.333 15.754 1.00 0.00 C ATOM 1515 CH2 TRP A 101 7.767 0.935 15.993 1.00 0.00 C ATOM 0 H TRP A 101 5.207 -5.677 13.096 1.00 0.00 H new ATOM 0 HA TRP A 101 3.185 -3.583 13.344 1.00 0.00 H new ATOM 0 HB2 TRP A 101 5.158 -3.949 14.895 1.00 0.00 H new ATOM 0 HB3 TRP A 101 6.225 -3.520 13.572 1.00 0.00 H new ATOM 0 HD1 TRP A 101 3.058 -1.365 13.988 1.00 0.00 H new ATOM 0 HE1 TRP A 101 3.715 0.961 14.884 1.00 0.00 H new ATOM 0 HE3 TRP A 101 7.974 -2.320 15.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 6.029 2.180 15.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 9.349 -0.519 15.991 1.00 0.00 H new ATOM 0 HH2 TRP A 101 8.395 1.714 16.401 1.00 0.00 H new ATOM 1526 N VAL A 102 3.256 -2.965 10.898 1.00 0.00 N ATOM 1527 CA VAL A 102 3.255 -2.350 9.574 1.00 0.00 C ATOM 1528 C VAL A 102 3.176 -0.836 9.752 1.00 0.00 C ATOM 1529 O VAL A 102 2.130 -0.296 10.120 1.00 0.00 O ATOM 1530 CB VAL A 102 2.054 -2.860 8.677 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.091 -2.210 7.267 1.00 0.00 C ATOM 1532 CG2 VAL A 102 2.068 -4.401 8.579 1.00 0.00 C ATOM 0 H VAL A 102 2.325 -3.203 11.241 1.00 0.00 H new ATOM 0 HA VAL A 102 4.172 -2.631 9.056 1.00 0.00 H new ATOM 0 HB VAL A 102 1.122 -2.557 9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.254 -2.579 6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.017 -1.127 7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.028 -2.467 6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.236 -4.734 7.959 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.007 -4.729 8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.971 -4.830 9.576 1.00 0.00 H new ATOM 1542 N GLN A 103 4.306 -0.174 9.499 1.00 0.00 N ATOM 1543 CA GLN A 103 4.401 1.280 9.536 1.00 0.00 C ATOM 1544 C GLN A 103 4.339 1.774 8.091 1.00 0.00 C ATOM 1545 O GLN A 103 5.318 1.706 7.352 1.00 0.00 O ATOM 1546 CB GLN A 103 5.745 1.701 10.204 1.00 0.00 C ATOM 1547 CG GLN A 103 5.886 1.282 11.678 1.00 0.00 C ATOM 1548 CD GLN A 103 7.228 1.694 12.281 1.00 0.00 C ATOM 1549 OE1 GLN A 103 8.183 0.916 12.278 1.00 0.00 O ATOM 1550 NE2 GLN A 103 7.311 2.927 12.779 1.00 0.00 N ATOM 0 H GLN A 103 5.183 -0.637 9.262 1.00 0.00 H new ATOM 0 HA GLN A 103 3.588 1.714 10.119 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.569 1.268 9.636 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.846 2.784 10.137 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.079 1.730 12.258 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.773 0.201 11.757 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.496 3.540 12.762 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.190 3.258 13.177 1.00 0.00 H new ATOM 1559 N GLU A 104 3.166 2.272 7.709 1.00 0.00 N ATOM 1560 CA GLU A 104 2.912 2.798 6.367 1.00 0.00 C ATOM 1561 C GLU A 104 3.245 4.293 6.393 1.00 0.00 C ATOM 1562 O GLU A 104 2.503 5.102 6.928 1.00 0.00 O ATOM 1563 CB GLU A 104 1.424 2.529 5.994 1.00 0.00 C ATOM 1564 CG GLU A 104 0.984 3.013 4.600 1.00 0.00 C ATOM 1565 CD GLU A 104 -0.493 2.692 4.309 1.00 0.00 C ATOM 1566 OE1 GLU A 104 -1.364 3.281 4.980 1.00 0.00 O ATOM 1567 OE2 GLU A 104 -0.782 1.850 3.429 1.00 0.00 O ATOM 0 H GLU A 104 2.356 2.323 8.327 1.00 0.00 H new ATOM 0 HA GLU A 104 3.528 2.314 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.241 1.457 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.790 3.007 6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.141 4.089 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.611 2.546 3.841 1.00 0.00 H new ATOM 1574 N THR A 105 4.410 4.644 5.879 1.00 0.00 N ATOM 1575 CA THR A 105 4.857 6.043 5.812 1.00 0.00 C ATOM 1576 C THR A 105 4.759 6.478 4.356 1.00 0.00 C ATOM 1577 O THR A 105 5.177 5.739 3.473 1.00 0.00 O ATOM 1578 CB THR A 105 6.324 6.194 6.345 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.413 5.586 7.645 1.00 0.00 O ATOM 1580 CG2 THR A 105 6.771 7.671 6.429 1.00 0.00 C ATOM 0 H THR A 105 5.079 3.977 5.494 1.00 0.00 H new ATOM 0 HA THR A 105 4.230 6.673 6.443 1.00 0.00 H new ATOM 0 HB THR A 105 6.990 5.696 5.640 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.328 5.674 7.986 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.793 7.721 6.804 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.725 8.122 5.438 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.110 8.213 7.105 1.00 0.00 H new ATOM 1588 N PHE A 106 4.173 7.638 4.115 1.00 0.00 N ATOM 1589 CA PHE A 106 4.033 8.199 2.775 1.00 0.00 C ATOM 1590 C PHE A 106 4.414 9.679 2.811 1.00 0.00 C ATOM 1591 O PHE A 106 3.977 10.424 3.700 1.00 0.00 O ATOM 1592 CB PHE A 106 2.588 7.982 2.227 1.00 0.00 C ATOM 1593 CG PHE A 106 1.458 8.582 3.063 1.00 0.00 C ATOM 1594 CD1 PHE A 106 0.998 7.939 4.213 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.850 9.777 2.686 1.00 0.00 C ATOM 1596 CE1 PHE A 106 -0.040 8.474 4.953 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.179 10.307 3.425 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.626 9.656 4.557 1.00 0.00 C ATOM 0 H PHE A 106 3.776 8.225 4.848 1.00 0.00 H new ATOM 0 HA PHE A 106 4.706 7.683 2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.534 8.404 1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.414 6.910 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.458 7.014 4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.192 10.293 1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.391 7.966 5.839 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.639 11.235 3.120 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.437 10.075 5.134 1.00 0.00 H new ATOM 1608 N ASP A 107 5.275 10.077 1.860 1.00 0.00 N ATOM 1609 CA ASP A 107 5.604 11.482 1.623 1.00 0.00 C ATOM 1610 C ASP A 107 4.336 12.208 1.154 1.00 0.00 C ATOM 1611 O ASP A 107 3.562 11.662 0.360 1.00 0.00 O ATOM 1612 CB ASP A 107 6.763 11.596 0.593 1.00 0.00 C ATOM 1613 CG ASP A 107 6.907 12.976 -0.067 1.00 0.00 C ATOM 1614 OD1 ASP A 107 7.493 13.890 0.544 1.00 0.00 O ATOM 1615 OD2 ASP A 107 6.451 13.142 -1.213 1.00 0.00 O ATOM 0 H ASP A 107 5.759 9.430 1.237 1.00 0.00 H new ATOM 0 HA ASP A 107 5.952 11.954 2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.700 11.349 1.093 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.611 10.850 -0.187 1.00 0.00 H new ATOM 1620 N ALA A 108 4.131 13.412 1.686 1.00 0.00 N ATOM 1621 CA ALA A 108 2.933 14.223 1.452 1.00 0.00 C ATOM 1622 C ALA A 108 3.351 15.608 0.952 1.00 0.00 C ATOM 1623 O ALA A 108 4.536 15.870 0.738 1.00 0.00 O ATOM 1624 CB ALA A 108 2.130 14.322 2.767 1.00 0.00 C ATOM 0 H ALA A 108 4.806 13.862 2.305 1.00 0.00 H new ATOM 0 HA ALA A 108 2.301 13.762 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.236 14.924 2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.840 13.323 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.746 14.789 3.535 1.00 0.00 H new ATOM 1630 N GLU A 109 2.374 16.489 0.748 1.00 0.00 N ATOM 1631 CA GLU A 109 2.622 17.897 0.395 1.00 0.00 C ATOM 1632 C GLU A 109 1.675 18.803 1.195 1.00 0.00 C ATOM 1633 O GLU A 109 0.820 18.314 1.955 1.00 0.00 O ATOM 1634 CB GLU A 109 2.488 18.124 -1.139 1.00 0.00 C ATOM 1635 CG GLU A 109 1.064 18.052 -1.725 1.00 0.00 C ATOM 1636 CD GLU A 109 0.377 16.690 -1.585 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -0.290 16.454 -0.562 1.00 0.00 O ATOM 1638 OE2 GLU A 109 0.476 15.859 -2.514 1.00 0.00 O ATOM 0 H GLU A 109 1.384 16.253 0.821 1.00 0.00 H new ATOM 0 HA GLU A 109 3.647 18.156 0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.905 19.103 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.104 17.383 -1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.447 18.806 -1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 109 1.108 18.313 -2.782 1.00 0.00 H new ATOM 1688 N THR A 113 -5.034 18.201 2.031 1.00 0.00 N ATOM 1689 CA THR A 113 -5.178 18.255 3.493 1.00 0.00 C ATOM 1690 C THR A 113 -4.489 17.031 4.140 1.00 0.00 C ATOM 1691 O THR A 113 -4.930 15.915 3.891 1.00 0.00 O ATOM 1692 CB THR A 113 -6.689 18.298 3.897 1.00 0.00 C ATOM 1693 OG1 THR A 113 -7.339 19.355 3.183 1.00 0.00 O ATOM 1694 CG2 THR A 113 -6.872 18.508 5.415 1.00 0.00 C ATOM 0 HA THR A 113 -4.698 19.165 3.854 1.00 0.00 H new ATOM 0 HB THR A 113 -7.135 17.337 3.640 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.013 19.374 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.935 18.532 5.653 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.397 17.689 5.955 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.413 19.452 5.710 1.00 0.00 H new ATOM 1702 N PRO A 114 -3.382 17.225 4.935 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.586 16.119 5.522 1.00 0.00 C ATOM 1704 C PRO A 114 -3.437 15.109 6.313 1.00 0.00 C ATOM 1705 O PRO A 114 -3.273 13.904 6.146 1.00 0.00 O ATOM 1706 CB PRO A 114 -1.535 16.836 6.429 1.00 0.00 C ATOM 1707 CG PRO A 114 -2.023 18.246 6.561 1.00 0.00 C ATOM 1708 CD PRO A 114 -2.792 18.535 5.297 1.00 0.00 C ATOM 0 HA PRO A 114 -2.123 15.510 4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.461 16.353 7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.542 16.804 5.981 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.658 18.359 7.440 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -1.190 18.939 6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.562 19.289 5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.140 18.911 4.509 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.355 15.619 7.157 1.00 0.00 N ATOM 1717 CA ALA A 115 -5.279 14.774 7.948 1.00 0.00 C ATOM 1718 C ALA A 115 -6.183 13.885 7.059 1.00 0.00 C ATOM 1719 O ALA A 115 -6.500 12.749 7.432 1.00 0.00 O ATOM 1720 CB ALA A 115 -6.128 15.645 8.873 1.00 0.00 C ATOM 0 H ALA A 115 -4.479 16.620 7.311 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.666 14.100 8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.803 15.013 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.478 16.195 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.709 16.349 8.278 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.580 14.418 5.882 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.397 13.684 4.890 1.00 0.00 C ATOM 1728 C GLN A 116 -6.568 12.565 4.236 1.00 0.00 C ATOM 1729 O GLN A 116 -7.073 11.457 4.023 1.00 0.00 O ATOM 1730 CB GLN A 116 -7.930 14.650 3.801 1.00 0.00 C ATOM 1731 CG GLN A 116 -8.837 13.989 2.747 1.00 0.00 C ATOM 1732 CD GLN A 116 -9.324 14.967 1.682 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -8.697 15.128 0.637 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -10.426 15.639 1.955 1.00 0.00 N ATOM 0 H GLN A 116 -6.344 15.367 5.593 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.246 13.239 5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -8.485 15.453 4.286 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.081 15.109 3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.293 13.177 2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.698 13.544 3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -10.918 15.477 2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.786 16.321 1.287 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.289 12.869 3.921 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.354 11.900 3.312 1.00 0.00 C ATOM 1745 C GLN A 117 -4.129 10.728 4.281 1.00 0.00 C ATOM 1746 O GLN A 117 -4.201 9.561 3.896 1.00 0.00 O ATOM 1747 CB GLN A 117 -2.996 12.565 2.992 1.00 0.00 C ATOM 1748 CG GLN A 117 -3.075 13.875 2.193 1.00 0.00 C ATOM 1749 CD GLN A 117 -1.700 14.475 1.910 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -0.733 13.746 1.700 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -1.590 15.791 1.950 1.00 0.00 N ATOM 0 H GLN A 117 -4.879 13.789 4.081 1.00 0.00 H new ATOM 0 HA GLN A 117 -4.791 11.539 2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.477 12.762 3.930 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.386 11.855 2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.588 13.690 1.249 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.676 14.597 2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.413 16.366 2.127 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.682 16.232 1.804 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.877 11.094 5.552 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.674 10.160 6.667 1.00 0.00 C ATOM 1762 C GLN A 118 -4.865 9.205 6.812 1.00 0.00 C ATOM 1763 O GLN A 118 -4.688 7.991 6.877 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.464 10.971 7.978 1.00 0.00 C ATOM 1765 CG GLN A 118 -3.262 10.114 9.244 1.00 0.00 C ATOM 1766 CD GLN A 118 -3.166 10.909 10.550 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -3.591 10.439 11.605 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -2.573 12.088 10.504 1.00 0.00 N ATOM 0 H GLN A 118 -3.808 12.072 5.835 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.790 9.554 6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.596 11.619 7.853 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.327 11.620 8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.090 9.409 9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.352 9.525 9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -2.231 12.452 9.615 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -2.457 12.634 11.358 1.00 0.00 H new ATOM 1777 N ALA A 119 -6.073 9.789 6.818 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.336 9.046 6.943 1.00 0.00 C ATOM 1779 C ALA A 119 -7.566 8.124 5.730 1.00 0.00 C ATOM 1780 O ALA A 119 -8.090 7.015 5.878 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.496 10.030 7.092 1.00 0.00 C ATOM 0 H ALA A 119 -6.202 10.798 6.736 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.279 8.415 7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.432 9.478 7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.344 10.639 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.541 10.675 6.215 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.150 8.593 4.538 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.305 7.829 3.298 1.00 0.00 C ATOM 1789 C GLY A 120 -6.465 6.574 3.281 1.00 0.00 C ATOM 1790 O GLY A 120 -6.990 5.472 3.107 1.00 0.00 O ATOM 0 H GLY A 120 -6.703 9.501 4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.354 7.562 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.030 8.458 2.451 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.159 6.754 3.515 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.188 5.655 3.564 1.00 0.00 C ATOM 1796 C TRP A 121 -4.481 4.692 4.728 1.00 0.00 C ATOM 1797 O TRP A 121 -4.326 3.484 4.578 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.754 6.219 3.643 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.243 6.782 2.328 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.590 7.965 1.735 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.285 6.171 1.452 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -1.906 8.122 0.560 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.096 7.042 0.365 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.561 4.975 1.487 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.218 6.757 -0.675 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 0.308 4.691 0.453 1.00 0.00 C ATOM 1807 CH2 TRP A 121 0.477 5.581 -0.611 1.00 0.00 C ATOM 0 H TRP A 121 -4.744 7.672 3.677 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.280 5.075 2.646 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.723 7.003 4.400 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -2.081 5.429 3.975 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.301 8.672 2.136 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -1.989 8.920 -0.070 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -0.680 4.285 2.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -0.090 7.439 -1.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 0.866 3.766 0.466 1.00 0.00 H new ATOM 0 HH2 TRP A 121 1.172 5.335 -1.400 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.951 5.232 5.874 1.00 0.00 N ATOM 1819 CA GLN A 122 -5.436 4.404 7.000 1.00 0.00 C ATOM 1820 C GLN A 122 -6.652 3.563 6.580 1.00 0.00 C ATOM 1821 O GLN A 122 -6.821 2.458 7.071 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.792 5.277 8.245 1.00 0.00 C ATOM 1823 CG GLN A 122 -4.579 5.687 9.111 1.00 0.00 C ATOM 1824 CD GLN A 122 -3.965 4.514 9.892 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -4.327 4.270 11.044 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -3.069 3.762 9.262 1.00 0.00 N ATOM 0 H GLN A 122 -5.005 6.236 6.043 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.624 3.733 7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -6.301 6.179 7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -6.498 4.727 8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -3.815 6.127 8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.888 6.460 9.814 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -2.791 3.992 8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.659 2.955 9.732 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.478 4.109 5.669 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.621 3.380 5.105 1.00 0.00 C ATOM 1837 C GLY A 123 -8.193 2.227 4.197 1.00 0.00 C ATOM 1838 O GLY A 123 -8.775 1.141 4.243 1.00 0.00 O ATOM 0 H GLY A 123 -7.371 5.057 5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.235 2.990 5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.244 4.072 4.538 1.00 0.00 H new ATOM 1842 N ILE A 124 -7.154 2.486 3.385 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.556 1.500 2.464 1.00 0.00 C ATOM 1844 C ILE A 124 -5.868 0.359 3.259 1.00 0.00 C ATOM 1845 O ILE A 124 -6.066 -0.831 2.964 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.515 2.220 1.520 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.180 3.421 0.775 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.890 1.242 0.508 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.225 4.280 -0.039 1.00 0.00 C ATOM 0 H ILE A 124 -6.699 3.398 3.348 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.345 1.060 1.854 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.713 2.600 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.953 3.034 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.678 4.054 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.179 1.776 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.373 0.446 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.675 0.811 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -5.780 5.087 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.465 4.703 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.744 3.667 -0.802 1.00 0.00 H new ATOM 1861 N LEU A 125 -5.111 0.756 4.299 1.00 0.00 N ATOM 1862 CA LEU A 125 -4.334 -0.154 5.162 1.00 0.00 C ATOM 1863 C LEU A 125 -5.266 -0.999 6.060 1.00 0.00 C ATOM 1864 O LEU A 125 -4.975 -2.162 6.356 1.00 0.00 O ATOM 1865 CB LEU A 125 -3.345 0.680 6.025 1.00 0.00 C ATOM 1866 CG LEU A 125 -2.337 -0.123 6.907 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -1.408 -1.016 6.042 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -1.519 0.831 7.815 1.00 0.00 C ATOM 0 H LEU A 125 -5.021 1.736 4.568 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.771 -0.845 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.774 1.327 5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.927 1.329 6.679 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.914 -0.788 7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.720 -1.560 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.010 -1.726 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.840 -0.390 5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.823 0.250 8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.961 1.534 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -2.196 1.381 8.468 1.00 0.00 H new ATOM 1880 N ASP A 126 -6.379 -0.380 6.497 1.00 0.00 N ATOM 1881 CA ASP A 126 -7.452 -1.048 7.266 1.00 0.00 C ATOM 1882 C ASP A 126 -8.186 -2.091 6.412 1.00 0.00 C ATOM 1883 O ASP A 126 -8.445 -3.196 6.882 1.00 0.00 O ATOM 1884 CB ASP A 126 -8.448 0.007 7.818 1.00 0.00 C ATOM 1885 CG ASP A 126 -9.702 -0.596 8.478 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -9.589 -1.207 9.559 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -10.802 -0.486 7.893 1.00 0.00 O ATOM 0 H ASP A 126 -6.563 0.609 6.325 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.993 -1.573 8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.932 0.632 8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.758 0.660 7.002 1.00 0.00 H new ATOM 1892 N ASN A 127 -8.500 -1.732 5.151 1.00 0.00 N ATOM 1893 CA ASN A 127 -9.178 -2.647 4.196 1.00 0.00 C ATOM 1894 C ASN A 127 -8.257 -3.851 3.901 1.00 0.00 C ATOM 1895 O ASN A 127 -8.711 -5.009 3.828 1.00 0.00 O ATOM 1896 CB ASN A 127 -9.546 -1.869 2.896 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.439 -2.636 1.899 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -10.386 -3.860 1.773 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -11.284 -1.916 1.185 1.00 0.00 N ATOM 0 H ASN A 127 -8.296 -0.811 4.764 1.00 0.00 H new ATOM 0 HA ASN A 127 -10.103 -3.027 4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -10.053 -0.945 3.176 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.624 -1.585 2.389 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -11.905 -2.372 0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -11.316 -0.903 1.301 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.960 -3.532 3.786 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.876 -4.498 3.609 1.00 0.00 C ATOM 1908 C PHE A 128 -5.817 -5.487 4.793 1.00 0.00 C ATOM 1909 O PHE A 128 -6.000 -6.686 4.592 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.540 -3.718 3.429 1.00 0.00 C ATOM 1911 CG PHE A 128 -3.281 -4.575 3.454 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -3.021 -5.490 2.442 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -2.370 -4.469 4.505 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -1.885 -6.262 2.470 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -1.233 -5.245 4.530 1.00 0.00 C ATOM 1916 CZ PHE A 128 -0.995 -6.145 3.514 1.00 0.00 C ATOM 0 H PHE A 128 -6.631 -2.567 3.815 1.00 0.00 H new ATOM 0 HA PHE A 128 -6.055 -5.099 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.576 -3.181 2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.466 -2.969 4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.719 -5.596 1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.558 -3.771 5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.690 -6.962 1.671 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.529 -5.149 5.344 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.108 -6.760 3.537 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.617 -4.957 6.025 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.446 -5.768 7.254 1.00 0.00 C ATOM 1928 C LYS A 129 -6.646 -6.709 7.484 1.00 0.00 C ATOM 1929 O LYS A 129 -6.468 -7.918 7.699 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.236 -4.844 8.491 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.177 -5.605 9.836 1.00 0.00 C ATOM 1932 CD LYS A 129 -4.947 -4.702 11.076 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.080 -5.490 12.393 1.00 0.00 C ATOM 1934 NZ LYS A 129 -4.950 -4.636 13.605 1.00 0.00 N ATOM 0 H LYS A 129 -5.570 -3.952 6.194 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.559 -6.387 7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.311 -4.283 8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -6.047 -4.117 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.109 -6.154 9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.377 -6.343 9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -3.955 -4.254 11.020 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -5.667 -3.884 11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -6.048 -5.991 12.412 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -4.317 -6.268 12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.605 -4.973 14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -3.975 -4.686 13.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.179 -3.651 13.362 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.863 -6.137 7.370 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.124 -6.880 7.563 1.00 0.00 C ATOM 1950 C ARG A 130 -9.256 -8.034 6.558 1.00 0.00 C ATOM 1951 O ARG A 130 -9.768 -9.088 6.915 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.358 -5.939 7.469 1.00 0.00 C ATOM 1953 CG ARG A 130 -10.498 -4.948 8.648 1.00 0.00 C ATOM 1954 CD ARG A 130 -11.729 -4.035 8.516 1.00 0.00 C ATOM 1955 NE ARG A 130 -11.661 -3.180 7.314 1.00 0.00 N ATOM 1956 CZ ARG A 130 -12.597 -3.108 6.354 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -13.701 -3.852 6.411 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -12.426 -2.270 5.345 1.00 0.00 N ATOM 0 H ARG A 130 -7.998 -5.152 7.143 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.094 -7.304 8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.298 -5.373 6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -11.260 -6.548 7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -10.565 -5.508 9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -9.600 -4.333 8.708 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.630 -4.646 8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -11.810 -3.407 9.403 1.00 0.00 H new ATOM 0 HE ARG A 130 -10.833 -2.595 7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -13.846 -4.490 7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -14.401 -3.783 5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -11.590 -1.687 5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -13.130 -2.207 4.610 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.776 -7.830 5.311 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.748 -8.900 4.294 1.00 0.00 C ATOM 1974 C TYR A 131 -7.770 -10.028 4.697 1.00 0.00 C ATOM 1975 O TYR A 131 -8.134 -11.206 4.637 1.00 0.00 O ATOM 1976 CB TYR A 131 -8.365 -8.359 2.886 1.00 0.00 C ATOM 1977 CG TYR A 131 -8.046 -9.478 1.876 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -9.055 -10.308 1.373 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.732 -9.768 1.490 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.768 -11.348 0.510 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -6.446 -10.819 0.640 1.00 0.00 C ATOM 1982 CZ TYR A 131 -7.462 -11.603 0.156 1.00 0.00 C ATOM 1983 OH TYR A 131 -7.166 -12.661 -0.672 1.00 0.00 O ATOM 0 H TYR A 131 -8.404 -6.937 4.987 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.759 -9.303 4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -9.185 -7.753 2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.499 -7.703 2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -10.079 -10.132 1.666 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.924 -9.157 1.865 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -9.566 -11.959 0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -5.424 -11.023 0.357 1.00 0.00 H new ATOM 0 HH TYR A 131 -6.198 -12.698 -0.822 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.527 -9.654 5.068 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.429 -10.626 5.296 1.00 0.00 C ATOM 1995 C VAL A 132 -5.771 -11.570 6.472 1.00 0.00 C ATOM 1996 O VAL A 132 -5.452 -12.772 6.449 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.055 -9.890 5.555 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -2.886 -10.889 5.670 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.758 -8.857 4.449 1.00 0.00 C ATOM 0 H VAL A 132 -6.255 -8.682 5.217 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.322 -11.225 4.392 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.151 -9.366 6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.958 -10.345 5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.071 -11.572 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.801 -11.458 4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.806 -8.367 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.705 -9.362 3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.552 -8.111 4.425 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.471 -11.002 7.472 1.00 0.00 N ATOM 2010 CA GLU A 133 -6.911 -11.726 8.675 1.00 0.00 C ATOM 2011 C GLU A 133 -8.250 -12.457 8.450 1.00 0.00 C ATOM 2012 O GLU A 133 -8.507 -13.467 9.102 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.035 -10.746 9.857 1.00 0.00 C ATOM 2014 CG GLU A 133 -5.736 -9.996 10.209 1.00 0.00 C ATOM 2015 CD GLU A 133 -5.945 -8.974 11.332 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -6.869 -8.135 11.205 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -5.209 -8.994 12.341 1.00 0.00 O ATOM 0 H GLU A 133 -6.748 -10.020 7.466 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.160 -12.482 8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.810 -10.015 9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -7.370 -11.298 10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -4.974 -10.714 10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -5.360 -9.487 9.322 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.102 -11.950 7.529 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.388 -12.615 7.179 1.00 0.00 C ATOM 2026 C ALA A 134 -10.103 -13.906 6.409 1.00 0.00 C ATOM 2027 O ALA A 134 -10.691 -14.959 6.681 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.292 -11.695 6.340 1.00 0.00 C ATOM 0 H ALA A 134 -8.927 -11.087 7.015 1.00 0.00 H new ATOM 0 HA ALA A 134 -10.914 -12.843 8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.221 -12.214 6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.516 -10.790 6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -10.781 -11.427 5.415 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.154 -13.786 5.471 1.00 0.00 N ATOM 2035 CA ALA A 135 -8.645 -14.892 4.660 1.00 0.00 C ATOM 2036 C ALA A 135 -7.926 -15.901 5.564 1.00 0.00 C ATOM 2037 O ALA A 135 -8.104 -17.114 5.432 1.00 0.00 O ATOM 2038 CB ALA A 135 -7.681 -14.352 3.599 1.00 0.00 C ATOM 0 H ALA A 135 -8.710 -12.894 5.252 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.475 -15.391 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.303 -15.178 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.206 -13.645 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -6.847 -13.849 4.088 1.00 0.00 H new ATOM 2044 N GLY A 136 -7.109 -15.363 6.492 1.00 0.00 N ATOM 2045 CA GLY A 136 -6.400 -16.165 7.485 1.00 0.00 C ATOM 2046 C GLY A 136 -5.052 -16.660 6.982 1.00 0.00 C ATOM 2047 O GLY A 136 -4.047 -16.535 7.687 1.00 0.00 O ATOM 0 H GLY A 136 -6.929 -14.362 6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -6.252 -15.572 8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -7.016 -17.020 7.763 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.056 -17.277 5.766 1.00 0.00 N ATOM 2052 CA LEU A 137 -3.860 -17.879 5.099 1.00 0.00 C ATOM 2053 C LEU A 137 -3.185 -18.950 5.985 1.00 0.00 C ATOM 2054 O LEU A 137 -1.997 -19.275 5.831 1.00 0.00 O ATOM 2055 CB LEU A 137 -2.867 -16.765 4.667 1.00 0.00 C ATOM 2056 CG LEU A 137 -3.371 -15.808 3.535 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -2.414 -14.606 3.328 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -3.581 -16.586 2.217 1.00 0.00 C ATOM 0 H LEU A 137 -5.906 -17.373 5.210 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.195 -18.396 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.620 -16.164 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.943 -17.237 4.334 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.332 -15.402 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -2.800 -13.966 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.343 -14.034 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -1.425 -14.972 3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -3.931 -15.903 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -2.638 -17.035 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.322 -17.370 2.371 1.00 0.00 H new