USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 743 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 81 TYR OH : rot 31:sc= 0.0755 USER MOD Set 1.2: A 87 SER OG : rot 101:sc= 1.51 USER MOD Set 2.1: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 68 SER OG : rot 180:sc= 0.0631 USER MOD Set 3.2: A 71 THR OG1 : rot 64:sc= 0.973 USER MOD Set 4.1: A 49 HIS : no HD1:sc= -1.74 K(o=-0.49,f=-5.4!) USER MOD Set 4.2: A 73 TYR OH : rot 153:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 12:sc= 0.469! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -2.1 X(o=-2.1,f=-1.9) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -117:sc= 0.161 USER MOD Single : A 21 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.51) USER MOD Single : A 41 THR OG1 : rot 37:sc= 0.147 USER MOD Single : A 42 TYR OH : rot -119:sc= 0.0174 USER MOD Single : A 44 SER OG : rot -170:sc= -0.215 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -3.48 K(o=-3.5,f=-4.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 160:sc= 0 USER MOD Single : A 70 SER OG : rot -55:sc= 0.419 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -176:sc= 0.765 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 34:sc= 0.00179 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.724 -23.123 12.427 1.00 0.00 N ATOM 2 CA GLY A 1 15.131 -23.351 11.052 1.00 0.00 C ATOM 3 C GLY A 1 14.754 -22.202 10.138 1.00 0.00 C ATOM 4 O GLY A 1 15.194 -21.070 10.337 1.00 0.00 O ATOM 0 H1 GLY A 1 15.004 -23.936 13.011 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.184 -22.263 12.787 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.691 -23.006 12.469 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.210 -23.501 11.016 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.669 -24.268 10.687 1.00 0.00 H new ATOM 8 N SER A 2 13.937 -22.494 9.131 1.00 0.00 N ATOM 9 CA SER A 2 13.504 -21.478 8.179 1.00 0.00 C ATOM 10 C SER A 2 11.991 -21.524 7.984 1.00 0.00 C ATOM 11 O SER A 2 11.358 -22.558 8.201 1.00 0.00 O ATOM 12 CB SER A 2 14.209 -21.675 6.835 1.00 0.00 C ATOM 13 OG SER A 2 13.868 -22.924 6.259 1.00 0.00 O ATOM 0 H SER A 2 13.562 -23.426 8.953 1.00 0.00 H new ATOM 0 HA SER A 2 13.771 -20.501 8.582 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.933 -20.870 6.154 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.288 -21.618 6.975 1.00 0.00 H new ATOM 0 HG SER A 2 14.330 -23.025 5.400 1.00 0.00 H new ATOM 19 N SER A 3 11.419 -20.397 7.575 1.00 0.00 N ATOM 20 CA SER A 3 9.980 -20.306 7.354 1.00 0.00 C ATOM 21 C SER A 3 9.648 -20.445 5.872 1.00 0.00 C ATOM 22 O SER A 3 10.190 -19.727 5.033 1.00 0.00 O ATOM 23 CB SER A 3 9.444 -18.976 7.887 1.00 0.00 C ATOM 24 OG SER A 3 9.765 -17.910 7.010 1.00 0.00 O ATOM 0 H SER A 3 11.929 -19.534 7.390 1.00 0.00 H new ATOM 0 HA SER A 3 9.502 -21.124 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.363 -19.038 8.009 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.865 -18.779 8.873 1.00 0.00 H new ATOM 0 HG SER A 3 10.096 -18.273 6.162 1.00 0.00 H new ATOM 30 N GLY A 4 8.752 -21.376 5.557 1.00 0.00 N ATOM 31 CA GLY A 4 8.362 -21.593 4.176 1.00 0.00 C ATOM 32 C GLY A 4 6.858 -21.661 4.002 1.00 0.00 C ATOM 33 O GLY A 4 6.162 -22.287 4.801 1.00 0.00 O ATOM 0 H GLY A 4 8.290 -21.983 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.760 -20.788 3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.808 -22.520 3.817 1.00 0.00 H new ATOM 37 N SER A 5 6.355 -21.013 2.956 1.00 0.00 N ATOM 38 CA SER A 5 4.922 -20.997 2.683 1.00 0.00 C ATOM 39 C SER A 5 4.629 -20.290 1.364 1.00 0.00 C ATOM 40 O SER A 5 4.918 -19.105 1.204 1.00 0.00 O ATOM 41 CB SER A 5 4.172 -20.307 3.823 1.00 0.00 C ATOM 42 OG SER A 5 2.774 -20.316 3.593 1.00 0.00 O ATOM 0 H SER A 5 6.918 -20.492 2.284 1.00 0.00 H new ATOM 0 HA SER A 5 4.580 -22.029 2.606 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.392 -20.810 4.764 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.521 -19.279 3.922 1.00 0.00 H new ATOM 0 HG SER A 5 2.317 -19.871 4.337 1.00 0.00 H new ATOM 48 N SER A 6 4.051 -21.027 0.420 1.00 0.00 N ATOM 49 CA SER A 6 3.721 -20.473 -0.887 1.00 0.00 C ATOM 50 C SER A 6 2.629 -19.414 -0.769 1.00 0.00 C ATOM 51 O SER A 6 1.722 -19.532 0.054 1.00 0.00 O ATOM 52 CB SER A 6 3.268 -21.585 -1.836 1.00 0.00 C ATOM 53 OG SER A 6 4.354 -22.420 -2.199 1.00 0.00 O ATOM 0 H SER A 6 3.802 -22.009 0.537 1.00 0.00 H new ATOM 0 HA SER A 6 4.617 -20.002 -1.291 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.491 -22.181 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.828 -21.146 -2.731 1.00 0.00 H new ATOM 0 HG SER A 6 4.038 -23.123 -2.804 1.00 0.00 H new ATOM 59 N GLY A 7 2.724 -18.379 -1.598 1.00 0.00 N ATOM 60 CA GLY A 7 1.739 -17.314 -1.571 1.00 0.00 C ATOM 61 C GLY A 7 0.677 -17.478 -2.640 1.00 0.00 C ATOM 62 O GLY A 7 0.993 -17.625 -3.822 1.00 0.00 O ATOM 0 H GLY A 7 3.466 -18.259 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.263 -17.289 -0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.241 -16.356 -1.706 1.00 0.00 H new ATOM 66 N LEU A 8 -0.585 -17.455 -2.227 1.00 0.00 N ATOM 67 CA LEU A 8 -1.698 -17.604 -3.158 1.00 0.00 C ATOM 68 C LEU A 8 -1.771 -16.418 -4.114 1.00 0.00 C ATOM 69 O LEU A 8 -1.473 -15.285 -3.737 1.00 0.00 O ATOM 70 CB LEU A 8 -3.015 -17.739 -2.392 1.00 0.00 C ATOM 71 CG LEU A 8 -3.356 -19.141 -1.885 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.551 -20.097 -3.051 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.268 -19.649 -0.951 1.00 0.00 C ATOM 0 H LEU A 8 -0.863 -17.335 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.531 -18.508 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.986 -17.063 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.825 -17.401 -3.039 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.290 -19.088 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.793 -21.090 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.366 -19.741 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.634 -20.147 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.527 -20.648 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.319 -19.687 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.178 -18.977 -0.098 1.00 0.00 H new ATOM 85 N ALA A 9 -2.172 -16.686 -5.352 1.00 0.00 N ATOM 86 CA ALA A 9 -2.289 -15.640 -6.361 1.00 0.00 C ATOM 87 C ALA A 9 -3.313 -14.589 -5.946 1.00 0.00 C ATOM 88 O ALA A 9 -4.338 -14.894 -5.335 1.00 0.00 O ATOM 89 CB ALA A 9 -2.663 -16.243 -7.706 1.00 0.00 C ATOM 0 H ALA A 9 -2.421 -17.619 -5.681 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.320 -15.149 -6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.747 -15.450 -8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.893 -16.950 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.618 -16.762 -7.619 1.00 0.00 H new ATOM 95 N PRO A 10 -3.033 -13.322 -6.284 1.00 0.00 N ATOM 96 CA PRO A 10 -3.918 -12.201 -5.956 1.00 0.00 C ATOM 97 C PRO A 10 -5.214 -12.231 -6.759 1.00 0.00 C ATOM 98 O PRO A 10 -5.242 -12.634 -7.923 1.00 0.00 O ATOM 99 CB PRO A 10 -3.087 -10.971 -6.330 1.00 0.00 C ATOM 100 CG PRO A 10 -2.137 -11.458 -7.369 1.00 0.00 C ATOM 101 CD PRO A 10 -1.830 -12.886 -7.013 1.00 0.00 C ATOM 0 HA PRO A 10 -4.230 -12.221 -4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.717 -10.169 -6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.557 -10.573 -5.465 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.578 -11.390 -8.363 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -1.229 -10.855 -7.381 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.656 -13.493 -7.901 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.936 -12.963 -6.395 1.00 0.00 H new ATOM 109 N PRO A 11 -6.314 -11.796 -6.127 1.00 0.00 N ATOM 110 CA PRO A 11 -7.633 -11.763 -6.765 1.00 0.00 C ATOM 111 C PRO A 11 -7.723 -10.703 -7.857 1.00 0.00 C ATOM 112 O PRO A 11 -8.166 -10.982 -8.971 1.00 0.00 O ATOM 113 CB PRO A 11 -8.577 -11.421 -5.609 1.00 0.00 C ATOM 114 CG PRO A 11 -7.725 -10.696 -4.626 1.00 0.00 C ATOM 115 CD PRO A 11 -6.354 -11.302 -4.740 1.00 0.00 C ATOM 0 HA PRO A 11 -7.869 -12.704 -7.263 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.407 -10.801 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.009 -12.321 -5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.699 -9.628 -4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.117 -10.805 -3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.572 -10.566 -4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.210 -12.109 -4.022 1.00 0.00 H new ATOM 123 N ARG A 12 -7.299 -9.486 -7.531 1.00 0.00 N ATOM 124 CA ARG A 12 -7.332 -8.384 -8.484 1.00 0.00 C ATOM 125 C ARG A 12 -5.958 -7.734 -8.612 1.00 0.00 C ATOM 126 O ARG A 12 -4.985 -8.191 -8.011 1.00 0.00 O ATOM 127 CB ARG A 12 -8.364 -7.340 -8.054 1.00 0.00 C ATOM 128 CG ARG A 12 -9.750 -7.916 -7.812 1.00 0.00 C ATOM 129 CD ARG A 12 -10.512 -8.100 -9.116 1.00 0.00 C ATOM 130 NE ARG A 12 -10.265 -9.409 -9.714 1.00 0.00 N ATOM 131 CZ ARG A 12 -10.751 -9.782 -10.893 1.00 0.00 C ATOM 132 NH1 ARG A 12 -11.504 -8.948 -11.597 1.00 0.00 N ATOM 133 NH2 ARG A 12 -10.482 -10.990 -11.371 1.00 0.00 N ATOM 0 H ARG A 12 -6.928 -9.239 -6.613 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.616 -8.787 -9.456 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.018 -6.854 -7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.429 -6.569 -8.821 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.663 -8.875 -7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.310 -7.254 -7.152 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.580 -7.981 -8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.221 -7.320 -9.819 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.688 -10.073 -9.198 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.711 -8.018 -11.234 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.876 -9.237 -12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.901 -11.634 -10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.856 -11.275 -12.276 1.00 0.00 H new ATOM 147 N HIS A 13 -5.885 -6.665 -9.399 1.00 0.00 N ATOM 148 CA HIS A 13 -4.630 -5.952 -9.606 1.00 0.00 C ATOM 149 C HIS A 13 -4.614 -4.641 -8.824 1.00 0.00 C ATOM 150 O HIS A 13 -5.665 -4.071 -8.528 1.00 0.00 O ATOM 151 CB HIS A 13 -4.416 -5.674 -11.094 1.00 0.00 C ATOM 152 CG HIS A 13 -5.187 -4.494 -11.600 1.00 0.00 C ATOM 153 ND1 HIS A 13 -4.690 -3.618 -12.541 1.00 0.00 N ATOM 154 CD2 HIS A 13 -6.428 -4.050 -11.293 1.00 0.00 C ATOM 155 CE1 HIS A 13 -5.590 -2.684 -12.789 1.00 0.00 C ATOM 156 NE2 HIS A 13 -6.655 -2.923 -12.044 1.00 0.00 N ATOM 0 H HIS A 13 -6.680 -6.274 -9.904 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.819 -6.582 -9.241 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -3.354 -5.508 -11.275 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -4.703 -6.557 -11.665 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -3.770 -3.681 -12.978 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -7.113 -4.499 -10.588 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.475 -1.864 -13.483 1.00 0.00 H new ATOM 165 N LEU A 14 -3.418 -4.170 -8.493 1.00 0.00 N ATOM 166 CA LEU A 14 -3.265 -2.927 -7.745 1.00 0.00 C ATOM 167 C LEU A 14 -2.930 -1.767 -8.678 1.00 0.00 C ATOM 168 O LEU A 14 -2.442 -1.972 -9.789 1.00 0.00 O ATOM 169 CB LEU A 14 -2.172 -3.076 -6.686 1.00 0.00 C ATOM 170 CG LEU A 14 -2.627 -3.584 -5.318 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.455 -4.178 -4.551 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.275 -2.462 -4.521 1.00 0.00 C ATOM 0 H LEU A 14 -2.539 -4.630 -8.731 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.213 -2.711 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.413 -3.757 -7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.692 -2.107 -6.550 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.368 -4.368 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.799 -4.534 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.036 -5.011 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.690 -3.415 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.593 -2.842 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.556 -1.655 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.141 -2.084 -5.064 1.00 0.00 H new ATOM 184 N GLY A 15 -3.194 -0.548 -8.217 1.00 0.00 N ATOM 185 CA GLY A 15 -2.912 0.626 -9.022 1.00 0.00 C ATOM 186 C GLY A 15 -2.352 1.770 -8.202 1.00 0.00 C ATOM 187 O GLY A 15 -2.932 2.160 -7.188 1.00 0.00 O ATOM 0 H GLY A 15 -3.598 -0.353 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.202 0.363 -9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.827 0.952 -9.517 1.00 0.00 H new ATOM 191 N PHE A 16 -1.218 2.310 -8.639 1.00 0.00 N ATOM 192 CA PHE A 16 -0.577 3.415 -7.936 1.00 0.00 C ATOM 193 C PHE A 16 -0.646 4.697 -8.761 1.00 0.00 C ATOM 194 O PHE A 16 -0.164 4.746 -9.893 1.00 0.00 O ATOM 195 CB PHE A 16 0.881 3.073 -7.626 1.00 0.00 C ATOM 196 CG PHE A 16 1.042 1.837 -6.787 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.852 1.885 -5.415 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.382 0.627 -7.370 1.00 0.00 C ATOM 199 CE1 PHE A 16 0.999 0.750 -4.641 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.529 -0.511 -6.601 1.00 0.00 C ATOM 201 CZ PHE A 16 1.338 -0.450 -5.234 1.00 0.00 C ATOM 0 H PHE A 16 -0.725 2.000 -9.476 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.112 3.576 -7.000 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.422 2.939 -8.563 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.342 3.915 -7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.586 2.820 -4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.534 0.573 -8.438 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.849 0.801 -3.573 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.793 -1.448 -7.068 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.454 -1.338 -4.631 1.00 0.00 H new ATOM 211 N SER A 17 -1.249 5.733 -8.185 1.00 0.00 N ATOM 212 CA SER A 17 -1.385 7.014 -8.868 1.00 0.00 C ATOM 213 C SER A 17 -1.080 8.170 -7.919 1.00 0.00 C ATOM 214 O SER A 17 -0.999 7.986 -6.705 1.00 0.00 O ATOM 215 CB SER A 17 -2.797 7.165 -9.436 1.00 0.00 C ATOM 216 OG SER A 17 -2.812 8.060 -10.535 1.00 0.00 O ATOM 0 H SER A 17 -1.651 5.710 -7.248 1.00 0.00 H new ATOM 0 HA SER A 17 -0.667 7.040 -9.687 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.172 6.191 -9.751 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.468 7.528 -8.658 1.00 0.00 H new ATOM 0 HG SER A 17 -3.726 8.138 -10.881 1.00 0.00 H new ATOM 222 N ASP A 18 -0.912 9.360 -8.483 1.00 0.00 N ATOM 223 CA ASP A 18 -0.617 10.548 -7.690 1.00 0.00 C ATOM 224 C ASP A 18 0.517 10.276 -6.706 1.00 0.00 C ATOM 225 O ASP A 18 0.576 10.870 -5.630 1.00 0.00 O ATOM 226 CB ASP A 18 -1.865 11.005 -6.934 1.00 0.00 C ATOM 227 CG ASP A 18 -1.888 12.504 -6.707 1.00 0.00 C ATOM 228 OD1 ASP A 18 -1.652 13.254 -7.677 1.00 0.00 O ATOM 229 OD2 ASP A 18 -2.141 12.927 -5.559 1.00 0.00 O ATOM 0 H ASP A 18 -0.975 9.528 -9.487 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.303 11.340 -8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.753 10.712 -7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.911 10.494 -5.972 1.00 0.00 H new ATOM 234 N VAL A 19 1.416 9.372 -7.083 1.00 0.00 N ATOM 235 CA VAL A 19 2.549 9.021 -6.235 1.00 0.00 C ATOM 236 C VAL A 19 3.454 10.225 -6.000 1.00 0.00 C ATOM 237 O VAL A 19 3.613 11.075 -6.876 1.00 0.00 O ATOM 238 CB VAL A 19 3.380 7.880 -6.852 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.554 7.527 -5.951 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.506 6.661 -7.105 1.00 0.00 C ATOM 0 H VAL A 19 1.382 8.870 -7.970 1.00 0.00 H new ATOM 0 HA VAL A 19 2.139 8.687 -5.282 1.00 0.00 H new ATOM 0 HB VAL A 19 3.776 8.219 -7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.130 6.719 -6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.192 8.402 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.182 7.207 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.109 5.865 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.079 6.318 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.703 6.926 -7.793 1.00 0.00 H new ATOM 250 N SER A 20 4.046 10.291 -4.812 1.00 0.00 N ATOM 251 CA SER A 20 4.933 11.393 -4.460 1.00 0.00 C ATOM 252 C SER A 20 6.253 10.870 -3.899 1.00 0.00 C ATOM 253 O SER A 20 6.477 9.661 -3.832 1.00 0.00 O ATOM 254 CB SER A 20 4.260 12.311 -3.438 1.00 0.00 C ATOM 255 OG SER A 20 4.883 13.584 -3.407 1.00 0.00 O ATOM 0 H SER A 20 3.927 9.594 -4.077 1.00 0.00 H new ATOM 0 HA SER A 20 5.143 11.962 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.205 12.425 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.307 11.855 -2.449 1.00 0.00 H new ATOM 0 HG SER A 20 5.273 13.736 -2.521 1.00 0.00 H new ATOM 261 N HIS A 21 7.123 11.791 -3.497 1.00 0.00 N ATOM 262 CA HIS A 21 8.421 11.424 -2.941 1.00 0.00 C ATOM 263 C HIS A 21 8.315 11.162 -1.442 1.00 0.00 C ATOM 264 O HIS A 21 9.251 10.653 -0.823 1.00 0.00 O ATOM 265 CB HIS A 21 9.444 12.530 -3.206 1.00 0.00 C ATOM 266 CG HIS A 21 9.003 13.880 -2.731 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.398 14.807 -3.554 1.00 0.00 N ATOM 268 CD2 HIS A 21 9.080 14.457 -1.509 1.00 0.00 C ATOM 269 CE1 HIS A 21 8.124 15.897 -2.859 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.528 15.710 -1.615 1.00 0.00 N ATOM 0 H HIS A 21 6.953 12.796 -3.546 1.00 0.00 H new ATOM 0 HA HIS A 21 8.752 10.508 -3.430 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.383 12.270 -2.716 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.646 12.578 -4.276 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.498 14.014 -0.617 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.651 16.789 -3.242 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.444 16.387 -0.856 1.00 0.00 H new ATOM 279 N ASP A 22 7.172 11.512 -0.864 1.00 0.00 N ATOM 280 CA ASP A 22 6.944 11.315 0.563 1.00 0.00 C ATOM 281 C ASP A 22 5.593 10.649 0.810 1.00 0.00 C ATOM 282 O ASP A 22 5.116 10.592 1.943 1.00 0.00 O ATOM 283 CB ASP A 22 7.010 12.652 1.302 1.00 0.00 C ATOM 284 CG ASP A 22 5.982 13.645 0.796 1.00 0.00 C ATOM 285 OD1 ASP A 22 6.042 14.004 -0.399 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.118 14.062 1.594 1.00 0.00 O ATOM 0 H ASP A 22 6.388 11.934 -1.362 1.00 0.00 H new ATOM 0 HA ASP A 22 7.728 10.660 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.854 12.483 2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.007 13.077 1.190 1.00 0.00 H new ATOM 291 N ALA A 23 4.982 10.148 -0.258 1.00 0.00 N ATOM 292 CA ALA A 23 3.687 9.486 -0.157 1.00 0.00 C ATOM 293 C ALA A 23 3.340 8.759 -1.452 1.00 0.00 C ATOM 294 O ALA A 23 4.003 8.938 -2.472 1.00 0.00 O ATOM 295 CB ALA A 23 2.604 10.496 0.190 1.00 0.00 C ATOM 0 H ALA A 23 5.363 10.188 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 23 3.746 8.745 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.642 9.988 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.838 10.967 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.554 11.258 -0.588 1.00 0.00 H new ATOM 301 N ALA A 24 2.296 7.937 -1.402 1.00 0.00 N ATOM 302 CA ALA A 24 1.860 7.184 -2.571 1.00 0.00 C ATOM 303 C ALA A 24 0.436 6.670 -2.393 1.00 0.00 C ATOM 304 O ALA A 24 0.116 6.035 -1.388 1.00 0.00 O ATOM 305 CB ALA A 24 2.811 6.027 -2.838 1.00 0.00 C ATOM 0 H ALA A 24 1.737 7.776 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 24 1.871 7.855 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.473 5.473 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.814 6.414 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.828 5.363 -1.974 1.00 0.00 H new ATOM 311 N ARG A 25 -0.416 6.949 -3.375 1.00 0.00 N ATOM 312 CA ARG A 25 -1.807 6.517 -3.325 1.00 0.00 C ATOM 313 C ARG A 25 -1.960 5.110 -3.896 1.00 0.00 C ATOM 314 O ARG A 25 -1.574 4.845 -5.034 1.00 0.00 O ATOM 315 CB ARG A 25 -2.695 7.492 -4.100 1.00 0.00 C ATOM 316 CG ARG A 25 -4.165 7.410 -3.722 1.00 0.00 C ATOM 317 CD ARG A 25 -4.889 8.715 -4.012 1.00 0.00 C ATOM 318 NE ARG A 25 -4.768 9.109 -5.413 1.00 0.00 N ATOM 319 CZ ARG A 25 -5.565 8.656 -6.375 1.00 0.00 C ATOM 320 NH1 ARG A 25 -6.535 7.798 -6.087 1.00 0.00 N ATOM 321 NH2 ARG A 25 -5.393 9.061 -7.626 1.00 0.00 N ATOM 0 H ARG A 25 -0.167 7.472 -4.214 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.119 6.503 -2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.341 8.508 -3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.591 7.295 -5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.639 6.599 -4.275 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.256 7.170 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.943 8.610 -3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.483 9.503 -3.378 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.032 9.768 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.670 7.485 -5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.146 7.452 -6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.648 9.721 -7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.005 8.713 -8.364 1.00 0.00 H new ATOM 335 N VAL A 26 -2.525 4.210 -3.097 1.00 0.00 N ATOM 336 CA VAL A 26 -2.729 2.831 -3.522 1.00 0.00 C ATOM 337 C VAL A 26 -4.213 2.488 -3.582 1.00 0.00 C ATOM 338 O VAL A 26 -4.919 2.557 -2.576 1.00 0.00 O ATOM 339 CB VAL A 26 -2.023 1.841 -2.576 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.330 2.179 -1.125 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.433 0.412 -2.898 1.00 0.00 C ATOM 0 H VAL A 26 -2.850 4.412 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.297 2.741 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.947 1.927 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.823 1.469 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.982 3.188 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.406 2.122 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.925 -0.274 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.511 0.307 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.157 0.177 -3.926 1.00 0.00 H new ATOM 351 N PHE A 27 -4.682 2.119 -4.770 1.00 0.00 N ATOM 352 CA PHE A 27 -6.084 1.766 -4.962 1.00 0.00 C ATOM 353 C PHE A 27 -6.213 0.419 -5.668 1.00 0.00 C ATOM 354 O PHE A 27 -5.312 -0.003 -6.393 1.00 0.00 O ATOM 355 CB PHE A 27 -6.798 2.849 -5.772 1.00 0.00 C ATOM 356 CG PHE A 27 -6.318 2.952 -7.192 1.00 0.00 C ATOM 357 CD1 PHE A 27 -5.250 3.772 -7.518 1.00 0.00 C ATOM 358 CD2 PHE A 27 -6.934 2.227 -8.200 1.00 0.00 C ATOM 359 CE1 PHE A 27 -4.805 3.868 -8.824 1.00 0.00 C ATOM 360 CE2 PHE A 27 -6.493 2.319 -9.506 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.428 3.141 -9.819 1.00 0.00 C ATOM 0 H PHE A 27 -4.112 2.057 -5.614 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.552 1.689 -3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.869 2.644 -5.773 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.658 3.811 -5.279 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.759 4.343 -6.743 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.768 1.583 -7.962 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.971 4.511 -9.065 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.981 1.748 -10.282 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.083 3.215 -10.840 1.00 0.00 H new ATOM 371 N TRP A 28 -7.339 -0.250 -5.450 1.00 0.00 N ATOM 372 CA TRP A 28 -7.587 -1.550 -6.064 1.00 0.00 C ATOM 373 C TRP A 28 -8.938 -1.569 -6.770 1.00 0.00 C ATOM 374 O TRP A 28 -9.701 -0.607 -6.695 1.00 0.00 O ATOM 375 CB TRP A 28 -7.534 -2.655 -5.008 1.00 0.00 C ATOM 376 CG TRP A 28 -8.216 -2.284 -3.726 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.427 -2.734 -3.282 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.728 -1.386 -2.723 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.721 -2.170 -2.064 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.695 -1.339 -1.700 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.569 -0.618 -2.590 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.535 -0.554 -0.561 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.412 0.161 -1.460 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.390 0.188 -0.457 1.00 0.00 C ATOM 0 H TRP A 28 -8.095 0.086 -4.853 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.808 -1.728 -6.805 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.998 -3.555 -5.411 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.492 -2.899 -4.800 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.060 -3.431 -3.811 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.566 -2.342 -1.519 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.809 -0.633 -3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.288 -0.532 0.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.520 0.760 -1.348 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.237 0.806 0.415 1.00 0.00 H new ATOM 395 N GLU A 29 -9.227 -2.671 -7.456 1.00 0.00 N ATOM 396 CA GLU A 29 -10.487 -2.814 -8.176 1.00 0.00 C ATOM 397 C GLU A 29 -11.533 -3.509 -7.309 1.00 0.00 C ATOM 398 O GLU A 29 -12.543 -3.999 -7.811 1.00 0.00 O ATOM 399 CB GLU A 29 -10.274 -3.603 -9.470 1.00 0.00 C ATOM 400 CG GLU A 29 -9.404 -2.882 -10.486 1.00 0.00 C ATOM 401 CD GLU A 29 -9.857 -1.457 -10.736 1.00 0.00 C ATOM 402 OE1 GLU A 29 -9.532 -0.578 -9.911 1.00 0.00 O ATOM 403 OE2 GLU A 29 -10.537 -1.221 -11.756 1.00 0.00 O ATOM 0 H GLU A 29 -8.606 -3.477 -7.528 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.850 -1.816 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.817 -4.563 -9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.244 -3.815 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.372 -2.875 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.417 -3.433 -11.426 1.00 0.00 H new ATOM 410 N GLY A 30 -11.282 -3.547 -6.004 1.00 0.00 N ATOM 411 CA GLY A 30 -12.210 -4.184 -5.088 1.00 0.00 C ATOM 412 C GLY A 30 -12.130 -5.697 -5.142 1.00 0.00 C ATOM 413 O GLY A 30 -12.039 -6.282 -6.220 1.00 0.00 O ATOM 0 H GLY A 30 -10.452 -3.148 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.002 -3.848 -4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.226 -3.868 -5.326 1.00 0.00 H new ATOM 417 N ALA A 31 -12.163 -6.331 -3.975 1.00 0.00 N ATOM 418 CA ALA A 31 -12.094 -7.785 -3.893 1.00 0.00 C ATOM 419 C ALA A 31 -13.384 -8.425 -4.396 1.00 0.00 C ATOM 420 O ALA A 31 -14.451 -7.811 -4.395 1.00 0.00 O ATOM 421 CB ALA A 31 -11.810 -8.220 -2.463 1.00 0.00 C ATOM 0 H ALA A 31 -12.237 -5.861 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.278 -8.122 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.761 -9.308 -2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.859 -7.800 -2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.607 -7.864 -1.809 1.00 0.00 H new ATOM 427 N PRO A 32 -13.286 -9.687 -4.838 1.00 0.00 N ATOM 428 CA PRO A 32 -14.435 -10.437 -5.352 1.00 0.00 C ATOM 429 C PRO A 32 -15.432 -10.795 -4.255 1.00 0.00 C ATOM 430 O PRO A 32 -16.499 -11.345 -4.528 1.00 0.00 O ATOM 431 CB PRO A 32 -13.801 -11.704 -5.932 1.00 0.00 C ATOM 432 CG PRO A 32 -12.528 -11.870 -5.177 1.00 0.00 C ATOM 433 CD PRO A 32 -12.045 -10.480 -4.868 1.00 0.00 C ATOM 0 HA PRO A 32 -15.007 -9.859 -6.078 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -14.453 -12.568 -5.803 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -13.617 -11.601 -7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.689 -12.440 -4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.793 -12.416 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.519 -10.440 -3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -11.354 -10.116 -5.628 1.00 0.00 H new ATOM 441 N ARG A 33 -15.078 -10.479 -3.014 1.00 0.00 N ATOM 442 CA ARG A 33 -15.942 -10.767 -1.876 1.00 0.00 C ATOM 443 C ARG A 33 -16.027 -9.566 -0.939 1.00 0.00 C ATOM 444 O ARG A 33 -15.116 -8.742 -0.862 1.00 0.00 O ATOM 445 CB ARG A 33 -15.424 -11.987 -1.112 1.00 0.00 C ATOM 446 CG ARG A 33 -14.288 -11.668 -0.154 1.00 0.00 C ATOM 447 CD ARG A 33 -13.995 -12.839 0.772 1.00 0.00 C ATOM 448 NE ARG A 33 -13.037 -13.773 0.186 1.00 0.00 N ATOM 449 CZ ARG A 33 -12.582 -14.851 0.816 1.00 0.00 C ATOM 450 NH1 ARG A 33 -12.996 -15.129 2.044 1.00 0.00 N ATOM 451 NH2 ARG A 33 -11.712 -15.653 0.216 1.00 0.00 N ATOM 0 H ARG A 33 -14.198 -10.023 -2.771 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.941 -10.981 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.247 -12.431 -0.552 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.085 -12.736 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.391 -11.418 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.546 -10.790 0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.604 -12.464 1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.923 -13.365 0.997 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.699 -13.588 -0.758 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.665 -14.515 2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.645 -15.957 2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.392 -15.442 -0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.363 -16.480 0.700 1.00 0.00 H new ATOM 465 N PRO A 34 -17.148 -9.461 -0.210 1.00 0.00 N ATOM 466 CA PRO A 34 -17.380 -8.364 0.734 1.00 0.00 C ATOM 467 C PRO A 34 -16.475 -8.453 1.958 1.00 0.00 C ATOM 468 O PRO A 34 -16.189 -9.543 2.454 1.00 0.00 O ATOM 469 CB PRO A 34 -18.845 -8.546 1.137 1.00 0.00 C ATOM 470 CG PRO A 34 -19.120 -9.995 0.923 1.00 0.00 C ATOM 471 CD PRO A 34 -18.276 -10.407 -0.251 1.00 0.00 C ATOM 0 HA PRO A 34 -17.164 -7.392 0.291 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.008 -8.262 2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.503 -7.924 0.530 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.865 -10.576 1.810 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.178 -10.166 0.723 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.938 -11.439 -0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -18.828 -10.334 -1.188 1.00 0.00 H new ATOM 479 N VAL A 35 -16.028 -7.299 2.443 1.00 0.00 N ATOM 480 CA VAL A 35 -15.156 -7.246 3.611 1.00 0.00 C ATOM 481 C VAL A 35 -15.699 -6.279 4.658 1.00 0.00 C ATOM 482 O VAL A 35 -16.508 -5.405 4.349 1.00 0.00 O ATOM 483 CB VAL A 35 -13.727 -6.820 3.226 1.00 0.00 C ATOM 484 CG1 VAL A 35 -13.761 -5.638 2.269 1.00 0.00 C ATOM 485 CG2 VAL A 35 -12.918 -6.485 4.470 1.00 0.00 C ATOM 0 H VAL A 35 -16.255 -6.388 2.045 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.126 -8.252 4.030 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.243 -7.654 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.742 -5.351 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.302 -5.917 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.263 -4.797 2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.911 -6.186 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.399 -5.667 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -12.864 -7.361 5.116 1.00 0.00 H new ATOM 495 N ARG A 36 -15.246 -6.443 5.896 1.00 0.00 N ATOM 496 CA ARG A 36 -15.687 -5.585 6.990 1.00 0.00 C ATOM 497 C ARG A 36 -14.664 -4.487 7.265 1.00 0.00 C ATOM 498 O ARG A 36 -15.025 -3.341 7.538 1.00 0.00 O ATOM 499 CB ARG A 36 -15.915 -6.413 8.256 1.00 0.00 C ATOM 500 CG ARG A 36 -14.630 -6.805 8.967 1.00 0.00 C ATOM 501 CD ARG A 36 -14.912 -7.433 10.323 1.00 0.00 C ATOM 502 NE ARG A 36 -13.685 -7.814 11.016 1.00 0.00 N ATOM 503 CZ ARG A 36 -13.652 -8.653 12.045 1.00 0.00 C ATOM 504 NH1 ARG A 36 -14.773 -9.197 12.497 1.00 0.00 N ATOM 505 NH2 ARG A 36 -12.495 -8.950 12.624 1.00 0.00 N ATOM 0 H ARG A 36 -14.574 -7.161 6.167 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.627 -5.118 6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.542 -5.845 8.943 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.466 -7.317 7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.071 -7.507 8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.001 -5.924 9.097 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.472 -6.729 10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.542 -8.313 10.191 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.804 -7.414 10.692 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.664 -8.972 12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.745 -9.841 13.287 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.630 -8.534 12.279 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.471 -9.594 13.414 1.00 0.00 H new ATOM 519 N LEU A 37 -13.386 -4.844 7.192 1.00 0.00 N ATOM 520 CA LEU A 37 -12.310 -3.889 7.433 1.00 0.00 C ATOM 521 C LEU A 37 -11.123 -4.163 6.516 1.00 0.00 C ATOM 522 O LEU A 37 -10.992 -5.255 5.963 1.00 0.00 O ATOM 523 CB LEU A 37 -11.865 -3.951 8.895 1.00 0.00 C ATOM 524 CG LEU A 37 -10.888 -2.865 9.346 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.549 -1.496 9.293 1.00 0.00 C ATOM 526 CD2 LEU A 37 -10.375 -3.157 10.749 1.00 0.00 C ATOM 0 H LEU A 37 -13.070 -5.788 6.968 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.689 -2.890 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.752 -3.899 9.526 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.404 -4.923 9.073 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.038 -2.862 8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.838 -0.736 9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.866 -1.284 8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.417 -1.485 9.952 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.681 -2.373 11.053 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.214 -3.188 11.444 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.862 -4.119 10.756 1.00 0.00 H new ATOM 538 N VAL A 38 -10.259 -3.165 6.361 1.00 0.00 N ATOM 539 CA VAL A 38 -9.080 -3.299 5.514 1.00 0.00 C ATOM 540 C VAL A 38 -7.853 -2.683 6.177 1.00 0.00 C ATOM 541 O VAL A 38 -7.831 -1.489 6.477 1.00 0.00 O ATOM 542 CB VAL A 38 -9.296 -2.635 4.141 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.129 -2.934 3.213 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.609 -3.098 3.527 1.00 0.00 C ATOM 0 H VAL A 38 -10.354 -2.255 6.811 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.914 -4.367 5.371 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.348 -1.556 4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.300 -2.457 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.208 -2.549 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.041 -4.012 3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.746 -2.619 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.589 -4.180 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.434 -2.827 4.185 1.00 0.00 H new ATOM 554 N ARG A 39 -6.833 -3.505 6.402 1.00 0.00 N ATOM 555 CA ARG A 39 -5.602 -3.040 7.030 1.00 0.00 C ATOM 556 C ARG A 39 -4.428 -3.134 6.061 1.00 0.00 C ATOM 557 O ARG A 39 -3.878 -4.212 5.838 1.00 0.00 O ATOM 558 CB ARG A 39 -5.306 -3.860 8.288 1.00 0.00 C ATOM 559 CG ARG A 39 -4.502 -3.103 9.332 1.00 0.00 C ATOM 560 CD ARG A 39 -4.423 -3.874 10.641 1.00 0.00 C ATOM 561 NE ARG A 39 -4.294 -2.986 11.793 1.00 0.00 N ATOM 562 CZ ARG A 39 -4.654 -3.325 13.026 1.00 0.00 C ATOM 563 NH1 ARG A 39 -5.161 -4.526 13.265 1.00 0.00 N ATOM 564 NH2 ARG A 39 -4.505 -2.462 14.022 1.00 0.00 N ATOM 0 H ARG A 39 -6.835 -4.496 6.159 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.738 -1.995 7.308 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.248 -4.183 8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.761 -4.761 8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.496 -2.919 8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.959 -2.129 9.509 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.317 -4.487 10.755 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.572 -4.554 10.610 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.906 -2.055 11.643 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.276 -5.192 12.501 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.437 -4.784 14.213 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.114 -1.537 13.841 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.782 -2.723 14.968 1.00 0.00 H new ATOM 578 N VAL A 40 -4.049 -1.996 5.486 1.00 0.00 N ATOM 579 CA VAL A 40 -2.940 -1.949 4.541 1.00 0.00 C ATOM 580 C VAL A 40 -1.606 -1.813 5.265 1.00 0.00 C ATOM 581 O VAL A 40 -1.483 -1.051 6.225 1.00 0.00 O ATOM 582 CB VAL A 40 -3.096 -0.780 3.550 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.038 -0.858 2.461 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.493 -0.774 2.949 1.00 0.00 C ATOM 0 H VAL A 40 -4.494 -1.095 5.659 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.955 -2.888 3.988 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.955 0.155 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.164 -0.024 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.047 -0.809 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.143 -1.797 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.585 0.058 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.666 -1.711 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.231 -0.665 3.744 1.00 0.00 H new ATOM 594 N THR A 41 -0.607 -2.556 4.800 1.00 0.00 N ATOM 595 CA THR A 41 0.719 -2.519 5.403 1.00 0.00 C ATOM 596 C THR A 41 1.796 -2.284 4.350 1.00 0.00 C ATOM 597 O THR A 41 1.932 -3.059 3.403 1.00 0.00 O ATOM 598 CB THR A 41 1.030 -3.826 6.156 1.00 0.00 C ATOM 599 OG1 THR A 41 0.737 -4.953 5.323 1.00 0.00 O ATOM 600 CG2 THR A 41 0.222 -3.916 7.442 1.00 0.00 C ATOM 0 H THR A 41 -0.691 -3.191 4.007 1.00 0.00 H new ATOM 0 HA THR A 41 0.721 -1.691 6.111 1.00 0.00 H new ATOM 0 HB THR A 41 2.090 -3.829 6.411 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.981 -4.747 4.397 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.459 -4.848 7.956 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.469 -3.073 8.087 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.842 -3.892 7.206 1.00 0.00 H new ATOM 608 N TYR A 42 2.560 -1.211 4.522 1.00 0.00 N ATOM 609 CA TYR A 42 3.625 -0.873 3.585 1.00 0.00 C ATOM 610 C TYR A 42 4.989 -0.930 4.266 1.00 0.00 C ATOM 611 O TYR A 42 5.135 -0.537 5.423 1.00 0.00 O ATOM 612 CB TYR A 42 3.393 0.521 2.998 1.00 0.00 C ATOM 613 CG TYR A 42 3.026 1.560 4.033 1.00 0.00 C ATOM 614 CD1 TYR A 42 1.728 1.658 4.518 1.00 0.00 C ATOM 615 CD2 TYR A 42 3.979 2.443 4.528 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.388 2.607 5.463 1.00 0.00 C ATOM 617 CE2 TYR A 42 3.648 3.394 5.474 1.00 0.00 C ATOM 618 CZ TYR A 42 2.352 3.472 5.938 1.00 0.00 C ATOM 619 OH TYR A 42 2.018 4.417 6.881 1.00 0.00 O ATOM 0 H TYR A 42 2.462 -0.560 5.301 1.00 0.00 H new ATOM 0 HA TYR A 42 3.611 -1.607 2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.295 0.842 2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.599 0.465 2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.971 0.981 4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.995 2.385 4.167 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.373 2.671 5.828 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.400 4.073 5.848 1.00 0.00 H new ATOM 0 HH TYR A 42 2.177 5.313 6.517 1.00 0.00 H new ATOM 629 N VAL A 43 5.986 -1.423 3.538 1.00 0.00 N ATOM 630 CA VAL A 43 7.339 -1.530 4.070 1.00 0.00 C ATOM 631 C VAL A 43 8.378 -1.234 2.993 1.00 0.00 C ATOM 632 O VAL A 43 8.197 -1.586 1.828 1.00 0.00 O ATOM 633 CB VAL A 43 7.604 -2.932 4.650 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.627 -3.974 3.542 1.00 0.00 C ATOM 635 CG2 VAL A 43 8.908 -2.946 5.433 1.00 0.00 C ATOM 0 H VAL A 43 5.882 -1.754 2.579 1.00 0.00 H new ATOM 0 HA VAL A 43 7.425 -0.792 4.867 1.00 0.00 H new ATOM 0 HB VAL A 43 6.793 -3.182 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.816 -4.958 3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.666 -3.980 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.416 -3.731 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.080 -3.944 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.732 -2.674 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.848 -2.229 6.252 1.00 0.00 H new ATOM 645 N SER A 44 9.466 -0.583 3.392 1.00 0.00 N ATOM 646 CA SER A 44 10.533 -0.235 2.461 1.00 0.00 C ATOM 647 C SER A 44 11.436 -1.436 2.197 1.00 0.00 C ATOM 648 O SER A 44 11.829 -2.146 3.123 1.00 0.00 O ATOM 649 CB SER A 44 11.360 0.928 3.012 1.00 0.00 C ATOM 650 OG SER A 44 12.311 1.373 2.060 1.00 0.00 O ATOM 0 H SER A 44 9.632 -0.286 4.354 1.00 0.00 H new ATOM 0 HA SER A 44 10.076 0.068 1.519 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.700 1.752 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.871 0.616 3.923 1.00 0.00 H new ATOM 0 HG SER A 44 12.929 2.004 2.485 1.00 0.00 H new ATOM 656 N SER A 45 11.762 -1.656 0.927 1.00 0.00 N ATOM 657 CA SER A 45 12.615 -2.773 0.540 1.00 0.00 C ATOM 658 C SER A 45 13.844 -2.856 1.440 1.00 0.00 C ATOM 659 O SER A 45 14.083 -1.974 2.264 1.00 0.00 O ATOM 660 CB SER A 45 13.048 -2.628 -0.921 1.00 0.00 C ATOM 661 OG SER A 45 11.964 -2.872 -1.801 1.00 0.00 O ATOM 0 H SER A 45 11.448 -1.075 0.149 1.00 0.00 H new ATOM 0 HA SER A 45 12.041 -3.693 0.653 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.439 -1.625 -1.090 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.858 -3.326 -1.134 1.00 0.00 H new ATOM 0 HG SER A 45 12.266 -2.771 -2.728 1.00 0.00 H new ATOM 667 N GLU A 46 14.620 -3.923 1.276 1.00 0.00 N ATOM 668 CA GLU A 46 15.823 -4.122 2.074 1.00 0.00 C ATOM 669 C GLU A 46 15.554 -3.828 3.547 1.00 0.00 C ATOM 670 O GLU A 46 16.417 -3.315 4.258 1.00 0.00 O ATOM 671 CB GLU A 46 16.955 -3.227 1.564 1.00 0.00 C ATOM 672 CG GLU A 46 17.796 -3.872 0.475 1.00 0.00 C ATOM 673 CD GLU A 46 18.719 -4.949 1.012 1.00 0.00 C ATOM 674 OE1 GLU A 46 18.209 -5.994 1.468 1.00 0.00 O ATOM 675 OE2 GLU A 46 19.951 -4.747 0.975 1.00 0.00 O ATOM 0 H GLU A 46 14.437 -4.662 0.598 1.00 0.00 H new ATOM 0 HA GLU A 46 16.122 -5.166 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.529 -2.299 1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.601 -2.960 2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.138 -4.305 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.389 -3.105 -0.023 1.00 0.00 H new ATOM 682 N GLY A 47 14.347 -4.157 3.999 1.00 0.00 N ATOM 683 CA GLY A 47 13.984 -3.920 5.384 1.00 0.00 C ATOM 684 C GLY A 47 14.204 -2.481 5.804 1.00 0.00 C ATOM 685 O GLY A 47 15.307 -2.104 6.199 1.00 0.00 O ATOM 0 H GLY A 47 13.615 -4.583 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.936 -4.182 5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.570 -4.576 6.027 1.00 0.00 H new ATOM 689 N GLY A 48 13.152 -1.673 5.717 1.00 0.00 N ATOM 690 CA GLY A 48 13.257 -0.275 6.093 1.00 0.00 C ATOM 691 C GLY A 48 12.018 0.229 6.806 1.00 0.00 C ATOM 692 O GLY A 48 11.417 -0.490 7.605 1.00 0.00 O ATOM 0 H GLY A 48 12.229 -1.961 5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.124 -0.140 6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.428 0.326 5.200 1.00 0.00 H new ATOM 696 N HIS A 49 11.634 1.468 6.518 1.00 0.00 N ATOM 697 CA HIS A 49 10.458 2.068 7.139 1.00 0.00 C ATOM 698 C HIS A 49 9.202 1.268 6.808 1.00 0.00 C ATOM 699 O HIS A 49 8.996 0.862 5.664 1.00 0.00 O ATOM 700 CB HIS A 49 10.292 3.515 6.674 1.00 0.00 C ATOM 701 CG HIS A 49 8.878 4.005 6.731 1.00 0.00 C ATOM 702 ND1 HIS A 49 8.277 4.690 5.697 1.00 0.00 N ATOM 703 CD2 HIS A 49 7.944 3.902 7.706 1.00 0.00 C ATOM 704 CE1 HIS A 49 7.035 4.990 6.034 1.00 0.00 C ATOM 705 NE2 HIS A 49 6.808 4.523 7.248 1.00 0.00 N ATOM 0 H HIS A 49 12.120 2.076 5.859 1.00 0.00 H new ATOM 0 HA HIS A 49 10.602 2.056 8.219 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.916 4.160 7.292 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.657 3.603 5.651 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.069 3.421 8.665 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.326 5.526 5.421 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.931 4.609 7.762 1.00 0.00 H new ATOM 714 N SER A 50 8.365 1.045 7.817 1.00 0.00 N ATOM 715 CA SER A 50 7.131 0.290 7.634 1.00 0.00 C ATOM 716 C SER A 50 5.983 0.931 8.408 1.00 0.00 C ATOM 717 O SER A 50 6.196 1.589 9.425 1.00 0.00 O ATOM 718 CB SER A 50 7.323 -1.158 8.089 1.00 0.00 C ATOM 719 OG SER A 50 7.617 -1.223 9.473 1.00 0.00 O ATOM 0 H SER A 50 8.519 1.377 8.769 1.00 0.00 H new ATOM 0 HA SER A 50 6.881 0.300 6.573 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.420 -1.731 7.879 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.132 -1.617 7.520 1.00 0.00 H new ATOM 0 HG SER A 50 7.733 -2.159 9.739 1.00 0.00 H new ATOM 725 N GLY A 51 4.763 0.732 7.916 1.00 0.00 N ATOM 726 CA GLY A 51 3.598 1.296 8.573 1.00 0.00 C ATOM 727 C GLY A 51 2.370 0.419 8.428 1.00 0.00 C ATOM 728 O GLY A 51 2.466 -0.725 7.984 1.00 0.00 O ATOM 0 H GLY A 51 4.561 0.191 7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.815 1.440 9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.389 2.280 8.154 1.00 0.00 H new ATOM 732 N GLN A 52 1.214 0.957 8.804 1.00 0.00 N ATOM 733 CA GLN A 52 -0.038 0.214 8.715 1.00 0.00 C ATOM 734 C GLN A 52 -1.236 1.146 8.865 1.00 0.00 C ATOM 735 O GLN A 52 -1.402 1.801 9.894 1.00 0.00 O ATOM 736 CB GLN A 52 -0.086 -0.875 9.788 1.00 0.00 C ATOM 737 CG GLN A 52 -1.429 -1.582 9.877 1.00 0.00 C ATOM 738 CD GLN A 52 -1.577 -2.395 11.148 1.00 0.00 C ATOM 739 OE1 GLN A 52 -1.849 -1.851 12.219 1.00 0.00 O ATOM 740 NE2 GLN A 52 -1.400 -3.707 11.036 1.00 0.00 N ATOM 0 H GLN A 52 1.118 1.903 9.173 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.085 -0.253 7.731 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.690 -1.612 9.581 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.146 -0.430 10.756 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.228 -0.843 9.828 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.548 -2.238 9.015 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.176 -4.116 10.129 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.488 -4.305 11.857 1.00 0.00 H new ATOM 749 N THR A 53 -2.069 1.202 7.831 1.00 0.00 N ATOM 750 CA THR A 53 -3.251 2.055 7.846 1.00 0.00 C ATOM 751 C THR A 53 -4.529 1.224 7.847 1.00 0.00 C ATOM 752 O THR A 53 -4.532 0.075 7.405 1.00 0.00 O ATOM 753 CB THR A 53 -3.272 3.008 6.636 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.128 4.123 6.906 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.751 2.285 5.386 1.00 0.00 C ATOM 0 H THR A 53 -1.947 0.666 6.972 1.00 0.00 H new ATOM 0 HA THR A 53 -3.204 2.644 8.762 1.00 0.00 H new ATOM 0 HB THR A 53 -2.256 3.364 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.135 4.725 6.133 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.757 2.978 4.545 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.080 1.454 5.167 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.759 1.904 5.550 1.00 0.00 H new ATOM 763 N GLU A 54 -5.612 1.812 8.344 1.00 0.00 N ATOM 764 CA GLU A 54 -6.896 1.124 8.401 1.00 0.00 C ATOM 765 C GLU A 54 -7.924 1.815 7.510 1.00 0.00 C ATOM 766 O GLU A 54 -7.955 3.042 7.417 1.00 0.00 O ATOM 767 CB GLU A 54 -7.408 1.071 9.842 1.00 0.00 C ATOM 768 CG GLU A 54 -6.870 -0.106 10.637 1.00 0.00 C ATOM 769 CD GLU A 54 -7.671 -0.376 11.896 1.00 0.00 C ATOM 770 OE1 GLU A 54 -8.046 0.599 12.581 1.00 0.00 O ATOM 771 OE2 GLU A 54 -7.923 -1.562 12.196 1.00 0.00 O ATOM 0 H GLU A 54 -5.626 2.763 8.713 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.750 0.107 8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.135 1.996 10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.497 1.023 9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.876 -0.997 10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.831 0.087 10.906 1.00 0.00 H new ATOM 778 N ALA A 55 -8.762 1.018 6.856 1.00 0.00 N ATOM 779 CA ALA A 55 -9.792 1.552 5.973 1.00 0.00 C ATOM 780 C ALA A 55 -11.011 0.637 5.935 1.00 0.00 C ATOM 781 O ALA A 55 -10.919 -0.570 6.157 1.00 0.00 O ATOM 782 CB ALA A 55 -9.234 1.749 4.571 1.00 0.00 C ATOM 0 H ALA A 55 -8.748 0.000 6.921 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.108 2.518 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.013 2.148 3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.398 2.448 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.890 0.792 4.179 1.00 0.00 H new ATOM 788 N PRO A 56 -12.183 1.224 5.650 1.00 0.00 N ATOM 789 CA PRO A 56 -13.444 0.479 5.577 1.00 0.00 C ATOM 790 C PRO A 56 -13.501 -0.448 4.368 1.00 0.00 C ATOM 791 O PRO A 56 -13.002 -0.114 3.294 1.00 0.00 O ATOM 792 CB PRO A 56 -14.500 1.581 5.457 1.00 0.00 C ATOM 793 CG PRO A 56 -13.776 2.735 4.854 1.00 0.00 C ATOM 794 CD PRO A 56 -12.368 2.658 5.375 1.00 0.00 C ATOM 0 HA PRO A 56 -13.583 -0.172 6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.333 1.264 4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.915 1.839 6.431 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.793 2.681 3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.244 3.679 5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.648 3.023 4.642 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.239 3.259 6.275 1.00 0.00 H new ATOM 802 N GLY A 57 -14.114 -1.614 4.549 1.00 0.00 N ATOM 803 CA GLY A 57 -14.225 -2.570 3.464 1.00 0.00 C ATOM 804 C GLY A 57 -14.775 -1.947 2.196 1.00 0.00 C ATOM 805 O GLY A 57 -14.619 -2.499 1.107 1.00 0.00 O ATOM 0 H GLY A 57 -14.536 -1.913 5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.244 -2.998 3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.872 -3.391 3.772 1.00 0.00 H new ATOM 809 N ASN A 58 -15.422 -0.795 2.337 1.00 0.00 N ATOM 810 CA ASN A 58 -15.999 -0.098 1.194 1.00 0.00 C ATOM 811 C ASN A 58 -14.952 0.767 0.499 1.00 0.00 C ATOM 812 O ASN A 58 -15.042 1.024 -0.701 1.00 0.00 O ATOM 813 CB ASN A 58 -17.178 0.769 1.641 1.00 0.00 C ATOM 814 CG ASN A 58 -18.119 0.030 2.572 1.00 0.00 C ATOM 815 OD1 ASN A 58 -18.347 -1.170 2.418 1.00 0.00 O ATOM 816 ND2 ASN A 58 -18.672 0.745 3.544 1.00 0.00 N ATOM 0 H ASN A 58 -15.560 -0.325 3.231 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.355 -0.846 0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.801 1.660 2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.730 1.107 0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.315 0.302 4.201 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.454 1.737 3.634 1.00 0.00 H new ATOM 823 N ALA A 59 -13.959 1.212 1.262 1.00 0.00 N ATOM 824 CA ALA A 59 -12.894 2.046 0.719 1.00 0.00 C ATOM 825 C ALA A 59 -12.062 1.278 -0.303 1.00 0.00 C ATOM 826 O ALA A 59 -11.449 0.260 0.019 1.00 0.00 O ATOM 827 CB ALA A 59 -12.006 2.564 1.841 1.00 0.00 C ATOM 0 H ALA A 59 -13.870 1.009 2.258 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.354 2.894 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.215 3.185 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.604 3.156 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.563 1.722 2.372 1.00 0.00 H new ATOM 833 N THR A 60 -12.047 1.771 -1.537 1.00 0.00 N ATOM 834 CA THR A 60 -11.293 1.130 -2.607 1.00 0.00 C ATOM 835 C THR A 60 -10.021 1.908 -2.925 1.00 0.00 C ATOM 836 O THR A 60 -9.384 1.681 -3.954 1.00 0.00 O ATOM 837 CB THR A 60 -12.136 1.001 -3.889 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.599 2.292 -4.303 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.325 0.079 -3.665 1.00 0.00 C ATOM 0 H THR A 60 -12.549 2.613 -1.820 1.00 0.00 H new ATOM 0 HA THR A 60 -11.028 0.133 -2.254 1.00 0.00 H new ATOM 0 HB THR A 60 -11.507 0.573 -4.669 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.133 2.202 -5.120 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.905 0.004 -4.585 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.969 -0.911 -3.378 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.954 0.482 -2.871 1.00 0.00 H new ATOM 847 N SER A 61 -9.655 2.825 -2.035 1.00 0.00 N ATOM 848 CA SER A 61 -8.460 3.639 -2.223 1.00 0.00 C ATOM 849 C SER A 61 -7.970 4.200 -0.892 1.00 0.00 C ATOM 850 O SER A 61 -8.762 4.653 -0.067 1.00 0.00 O ATOM 851 CB SER A 61 -8.745 4.784 -3.198 1.00 0.00 C ATOM 852 OG SER A 61 -9.967 5.429 -2.884 1.00 0.00 O ATOM 0 H SER A 61 -10.169 3.023 -1.177 1.00 0.00 H new ATOM 0 HA SER A 61 -7.679 3.003 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.930 5.506 -3.164 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.786 4.397 -4.216 1.00 0.00 H new ATOM 0 HG SER A 61 -10.125 6.157 -3.520 1.00 0.00 H new ATOM 858 N ALA A 62 -6.657 4.164 -0.690 1.00 0.00 N ATOM 859 CA ALA A 62 -6.059 4.670 0.540 1.00 0.00 C ATOM 860 C ALA A 62 -4.641 5.173 0.294 1.00 0.00 C ATOM 861 O ALA A 62 -3.872 4.556 -0.443 1.00 0.00 O ATOM 862 CB ALA A 62 -6.059 3.589 1.610 1.00 0.00 C ATOM 0 H ALA A 62 -5.987 3.790 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.660 5.510 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.610 3.980 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.084 3.279 1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.483 2.732 1.261 1.00 0.00 H new ATOM 868 N MET A 63 -4.301 6.298 0.915 1.00 0.00 N ATOM 869 CA MET A 63 -2.974 6.884 0.764 1.00 0.00 C ATOM 870 C MET A 63 -2.004 6.306 1.790 1.00 0.00 C ATOM 871 O MET A 63 -2.420 5.710 2.785 1.00 0.00 O ATOM 872 CB MET A 63 -3.044 8.405 0.911 1.00 0.00 C ATOM 873 CG MET A 63 -3.636 9.106 -0.301 1.00 0.00 C ATOM 874 SD MET A 63 -3.085 10.816 -0.451 1.00 0.00 S ATOM 875 CE MET A 63 -1.463 10.588 -1.176 1.00 0.00 C ATOM 0 H MET A 63 -4.926 6.822 1.527 1.00 0.00 H new ATOM 0 HA MET A 63 -2.608 6.640 -0.233 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.641 8.650 1.790 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.040 8.791 1.090 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.361 8.559 -1.203 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.724 9.083 -0.234 1.00 0.00 H new ATOM 0 HE1 MET A 63 -0.993 11.560 -1.330 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.846 9.989 -0.506 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.561 10.077 -2.134 1.00 0.00 H new ATOM 885 N LEU A 64 -0.712 6.485 1.542 1.00 0.00 N ATOM 886 CA LEU A 64 0.317 5.982 2.445 1.00 0.00 C ATOM 887 C LEU A 64 1.362 7.055 2.733 1.00 0.00 C ATOM 888 O LEU A 64 1.491 8.026 1.988 1.00 0.00 O ATOM 889 CB LEU A 64 0.991 4.747 1.844 1.00 0.00 C ATOM 890 CG LEU A 64 0.054 3.691 1.255 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.794 2.821 0.252 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.550 2.837 2.361 1.00 0.00 C ATOM 0 H LEU A 64 -0.352 6.975 0.723 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.163 5.707 3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.674 5.075 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.597 4.275 2.618 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.756 4.202 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.112 2.076 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.178 3.444 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.624 2.319 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.214 2.091 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.247 2.336 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.116 3.472 3.043 1.00 0.00 H new ATOM 904 N GLY A 65 2.108 6.872 3.818 1.00 0.00 N ATOM 905 CA GLY A 65 3.134 7.831 4.184 1.00 0.00 C ATOM 906 C GLY A 65 3.153 8.120 5.672 1.00 0.00 C ATOM 907 O GLY A 65 2.313 7.636 6.431 1.00 0.00 O ATOM 0 H GLY A 65 2.020 6.076 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.109 7.450 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.970 8.760 3.639 1.00 0.00 H new ATOM 911 N PRO A 66 4.132 8.926 6.109 1.00 0.00 N ATOM 912 CA PRO A 66 5.138 9.507 5.215 1.00 0.00 C ATOM 913 C PRO A 66 6.107 8.461 4.675 1.00 0.00 C ATOM 914 O PRO A 66 6.704 7.700 5.437 1.00 0.00 O ATOM 915 CB PRO A 66 5.875 10.506 6.112 1.00 0.00 C ATOM 916 CG PRO A 66 5.688 9.983 7.494 1.00 0.00 C ATOM 917 CD PRO A 66 4.333 9.331 7.511 1.00 0.00 C ATOM 0 HA PRO A 66 4.686 9.959 4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.932 10.567 5.851 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.462 11.510 6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.469 9.267 7.749 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.743 10.788 8.227 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.308 8.474 8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.559 10.022 7.845 1.00 0.00 H new ATOM 925 N LEU A 67 6.259 8.429 3.355 1.00 0.00 N ATOM 926 CA LEU A 67 7.157 7.476 2.712 1.00 0.00 C ATOM 927 C LEU A 67 8.491 8.131 2.368 1.00 0.00 C ATOM 928 O LEU A 67 8.721 9.298 2.684 1.00 0.00 O ATOM 929 CB LEU A 67 6.511 6.912 1.445 1.00 0.00 C ATOM 930 CG LEU A 67 5.063 6.440 1.583 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.519 5.989 0.237 1.00 0.00 C ATOM 932 CD2 LEU A 67 4.963 5.317 2.605 1.00 0.00 C ATOM 0 H LEU A 67 5.772 9.052 2.710 1.00 0.00 H new ATOM 0 HA LEU A 67 7.343 6.661 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.550 7.677 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.114 6.073 1.096 1.00 0.00 H new ATOM 0 HG LEU A 67 4.459 7.277 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.488 5.656 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.554 6.821 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.124 5.166 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.926 4.994 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.580 4.477 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.312 5.674 3.574 1.00 0.00 H new ATOM 944 N SER A 68 9.367 7.372 1.716 1.00 0.00 N ATOM 945 CA SER A 68 10.678 7.879 1.330 1.00 0.00 C ATOM 946 C SER A 68 10.702 8.256 -0.148 1.00 0.00 C ATOM 947 O SER A 68 9.700 8.120 -0.850 1.00 0.00 O ATOM 948 CB SER A 68 11.757 6.832 1.618 1.00 0.00 C ATOM 949 OG SER A 68 13.046 7.422 1.642 1.00 0.00 O ATOM 0 H SER A 68 9.192 6.404 1.444 1.00 0.00 H new ATOM 0 HA SER A 68 10.882 8.774 1.918 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.556 6.351 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.724 6.052 0.857 1.00 0.00 H new ATOM 0 HG SER A 68 13.718 6.733 1.829 1.00 0.00 H new ATOM 955 N SER A 69 11.852 8.732 -0.613 1.00 0.00 N ATOM 956 CA SER A 69 12.007 9.133 -2.006 1.00 0.00 C ATOM 957 C SER A 69 12.892 8.147 -2.761 1.00 0.00 C ATOM 958 O SER A 69 13.746 7.485 -2.171 1.00 0.00 O ATOM 959 CB SER A 69 12.603 10.540 -2.090 1.00 0.00 C ATOM 960 OG SER A 69 13.709 10.678 -1.216 1.00 0.00 O ATOM 0 H SER A 69 12.691 8.850 -0.045 1.00 0.00 H new ATOM 0 HA SER A 69 11.020 9.136 -2.469 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.917 10.745 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.841 11.277 -1.836 1.00 0.00 H new ATOM 0 HG SER A 69 14.260 11.436 -1.503 1.00 0.00 H new ATOM 966 N SER A 70 12.682 8.054 -4.070 1.00 0.00 N ATOM 967 CA SER A 70 13.457 7.146 -4.907 1.00 0.00 C ATOM 968 C SER A 70 13.664 5.806 -4.207 1.00 0.00 C ATOM 969 O SER A 70 14.690 5.149 -4.388 1.00 0.00 O ATOM 970 CB SER A 70 14.812 7.768 -5.251 1.00 0.00 C ATOM 971 OG SER A 70 15.473 7.024 -6.260 1.00 0.00 O ATOM 0 H SER A 70 11.981 8.597 -4.574 1.00 0.00 H new ATOM 0 HA SER A 70 12.899 6.974 -5.827 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.670 8.795 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.435 7.808 -4.357 1.00 0.00 H new ATOM 0 HG SER A 70 15.556 6.090 -5.976 1.00 0.00 H new ATOM 977 N THR A 71 12.680 5.405 -3.407 1.00 0.00 N ATOM 978 CA THR A 71 12.753 4.144 -2.680 1.00 0.00 C ATOM 979 C THR A 71 11.506 3.300 -2.916 1.00 0.00 C ATOM 980 O THR A 71 10.383 3.803 -2.863 1.00 0.00 O ATOM 981 CB THR A 71 12.921 4.378 -1.166 1.00 0.00 C ATOM 982 OG1 THR A 71 14.178 5.011 -0.905 1.00 0.00 O ATOM 983 CG2 THR A 71 12.840 3.065 -0.403 1.00 0.00 C ATOM 0 H THR A 71 11.824 5.936 -3.247 1.00 0.00 H new ATOM 0 HA THR A 71 13.626 3.611 -3.058 1.00 0.00 H new ATOM 0 HB THR A 71 12.112 5.026 -0.829 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.186 5.902 -1.312 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.961 3.256 0.663 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.870 2.600 -0.580 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.630 2.397 -0.744 1.00 0.00 H new ATOM 991 N THR A 72 11.709 2.013 -3.178 1.00 0.00 N ATOM 992 CA THR A 72 10.601 1.098 -3.423 1.00 0.00 C ATOM 993 C THR A 72 9.903 0.719 -2.122 1.00 0.00 C ATOM 994 O THR A 72 10.554 0.445 -1.114 1.00 0.00 O ATOM 995 CB THR A 72 11.078 -0.185 -4.130 1.00 0.00 C ATOM 996 OG1 THR A 72 11.633 0.138 -5.409 1.00 0.00 O ATOM 997 CG2 THR A 72 9.928 -1.166 -4.303 1.00 0.00 C ATOM 0 H THR A 72 12.631 1.580 -3.226 1.00 0.00 H new ATOM 0 HA THR A 72 9.897 1.620 -4.071 1.00 0.00 H new ATOM 0 HB THR A 72 11.843 -0.652 -3.510 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.935 -0.683 -5.851 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.288 -2.064 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.527 -1.432 -3.325 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.144 -0.705 -4.904 1.00 0.00 H new ATOM 1005 N TYR A 73 8.575 0.705 -2.152 1.00 0.00 N ATOM 1006 CA TYR A 73 7.788 0.360 -0.974 1.00 0.00 C ATOM 1007 C TYR A 73 6.808 -0.768 -1.283 1.00 0.00 C ATOM 1008 O TYR A 73 5.948 -0.639 -2.155 1.00 0.00 O ATOM 1009 CB TYR A 73 7.027 1.586 -0.467 1.00 0.00 C ATOM 1010 CG TYR A 73 7.798 2.402 0.546 1.00 0.00 C ATOM 1011 CD1 TYR A 73 8.771 3.307 0.143 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.554 2.265 1.907 1.00 0.00 C ATOM 1013 CE1 TYR A 73 9.479 4.054 1.065 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.256 3.009 2.837 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.217 3.901 2.410 1.00 0.00 C ATOM 1016 OH TYR A 73 9.920 4.643 3.333 1.00 0.00 O ATOM 0 H TYR A 73 8.021 0.928 -2.979 1.00 0.00 H new ATOM 0 HA TYR A 73 8.474 0.018 -0.198 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.773 2.222 -1.315 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.088 1.261 -0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.978 3.429 -0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.803 1.566 2.244 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.233 4.753 0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.053 2.892 3.891 1.00 0.00 H new ATOM 0 HH TYR A 73 9.376 4.763 4.139 1.00 0.00 H new ATOM 1026 N THR A 74 6.945 -1.876 -0.562 1.00 0.00 N ATOM 1027 CA THR A 74 6.074 -3.028 -0.758 1.00 0.00 C ATOM 1028 C THR A 74 4.738 -2.834 -0.051 1.00 0.00 C ATOM 1029 O THR A 74 4.644 -2.968 1.169 1.00 0.00 O ATOM 1030 CB THR A 74 6.731 -4.323 -0.243 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.056 -4.444 -0.772 1.00 0.00 O ATOM 1032 CG2 THR A 74 5.909 -5.541 -0.638 1.00 0.00 C ATOM 0 H THR A 74 7.651 -2.000 0.163 1.00 0.00 H new ATOM 0 HA THR A 74 5.904 -3.117 -1.831 1.00 0.00 H new ATOM 0 HB THR A 74 6.778 -4.273 0.845 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.467 -5.269 -0.439 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.392 -6.443 -0.264 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.910 -5.460 -0.210 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.835 -5.593 -1.724 1.00 0.00 H new ATOM 1040 N VAL A 75 3.704 -2.518 -0.825 1.00 0.00 N ATOM 1041 CA VAL A 75 2.372 -2.307 -0.273 1.00 0.00 C ATOM 1042 C VAL A 75 1.551 -3.591 -0.313 1.00 0.00 C ATOM 1043 O VAL A 75 1.489 -4.268 -1.339 1.00 0.00 O ATOM 1044 CB VAL A 75 1.616 -1.203 -1.036 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.260 -0.944 -0.397 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.444 0.072 -1.086 1.00 0.00 C ATOM 0 H VAL A 75 3.764 -2.403 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 75 2.505 -1.996 0.763 1.00 0.00 H new ATOM 0 HB VAL A 75 1.449 -1.541 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.259 -0.161 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.333 -1.858 -0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.399 -0.627 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.895 0.841 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.644 0.416 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.388 -0.127 -1.594 1.00 0.00 H new ATOM 1056 N ARG A 76 0.921 -3.920 0.810 1.00 0.00 N ATOM 1057 CA ARG A 76 0.104 -5.123 0.904 1.00 0.00 C ATOM 1058 C ARG A 76 -1.242 -4.817 1.553 1.00 0.00 C ATOM 1059 O ARG A 76 -1.355 -4.764 2.778 1.00 0.00 O ATOM 1060 CB ARG A 76 0.836 -6.201 1.706 1.00 0.00 C ATOM 1061 CG ARG A 76 1.704 -7.111 0.852 1.00 0.00 C ATOM 1062 CD ARG A 76 2.818 -7.745 1.670 1.00 0.00 C ATOM 1063 NE ARG A 76 2.356 -8.918 2.409 1.00 0.00 N ATOM 1064 CZ ARG A 76 3.118 -9.601 3.255 1.00 0.00 C ATOM 1065 NH1 ARG A 76 4.373 -9.230 3.469 1.00 0.00 N ATOM 1066 NH2 ARG A 76 2.626 -10.657 3.890 1.00 0.00 N ATOM 0 H ARG A 76 0.961 -3.370 1.668 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.075 -5.490 -0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.460 -5.720 2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.103 -6.807 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.087 -7.892 0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.135 -6.539 0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.635 -8.032 1.008 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.217 -7.010 2.369 1.00 0.00 H new ATOM 0 HE ARG A 76 1.395 -9.229 2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.755 -8.418 2.983 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.957 -9.756 4.119 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.661 -10.945 3.729 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.213 -11.181 4.540 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.261 -4.616 0.724 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.600 -4.315 1.217 1.00 0.00 C ATOM 1082 C VAL A 77 -4.275 -5.565 1.772 1.00 0.00 C ATOM 1083 O VAL A 77 -4.767 -6.405 1.018 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.486 -3.717 0.108 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.908 -3.519 0.608 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.900 -2.404 -0.391 1.00 0.00 C ATOM 0 H VAL A 77 -2.185 -4.656 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.485 -3.582 2.015 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.515 -4.417 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.519 -3.096 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.324 -4.480 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.903 -2.840 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.538 -1.995 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.840 -1.695 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.902 -2.580 -0.792 1.00 0.00 H new ATOM 1096 N THR A 78 -4.295 -5.681 3.096 1.00 0.00 N ATOM 1097 CA THR A 78 -4.909 -6.828 3.753 1.00 0.00 C ATOM 1098 C THR A 78 -6.381 -6.569 4.051 1.00 0.00 C ATOM 1099 O THR A 78 -6.717 -5.694 4.851 1.00 0.00 O ATOM 1100 CB THR A 78 -4.184 -7.177 5.067 1.00 0.00 C ATOM 1101 OG1 THR A 78 -2.767 -7.113 4.877 1.00 0.00 O ATOM 1102 CG2 THR A 78 -4.574 -8.567 5.547 1.00 0.00 C ATOM 0 H THR A 78 -3.893 -4.995 3.734 1.00 0.00 H new ATOM 0 HA THR A 78 -4.824 -7.669 3.065 1.00 0.00 H new ATOM 0 HB THR A 78 -4.481 -6.451 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.314 -7.334 5.717 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.050 -8.791 6.476 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.650 -8.604 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.302 -9.303 4.790 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.254 -7.333 3.405 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.692 -7.185 3.602 1.00 0.00 C ATOM 1112 C CYS A 79 -9.218 -8.231 4.579 1.00 0.00 C ATOM 1113 O CYS A 79 -9.473 -9.375 4.203 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.425 -7.304 2.265 1.00 0.00 C ATOM 1115 SG CYS A 79 -8.746 -6.260 0.955 1.00 0.00 S ATOM 0 H CYS A 79 -6.992 -8.061 2.740 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.876 -6.197 4.023 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.396 -8.343 1.938 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.474 -7.046 2.414 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.431 -6.432 -0.136 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.376 -7.832 5.836 1.00 0.00 N ATOM 1122 CA LEU A 80 -9.870 -8.735 6.870 1.00 0.00 C ATOM 1123 C LEU A 80 -11.363 -8.994 6.699 1.00 0.00 C ATOM 1124 O LEU A 80 -12.193 -8.158 7.058 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.597 -8.152 8.257 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.259 -8.531 8.894 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.039 -10.034 8.819 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.117 -7.788 8.216 1.00 0.00 C ATOM 0 H LEU A 80 -9.169 -6.889 6.164 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.342 -9.684 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.649 -7.065 8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.397 -8.468 8.926 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.282 -8.240 9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.082 -10.285 9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.841 -10.546 9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.036 -10.350 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.173 -8.069 8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.091 -8.048 7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.268 -6.714 8.322 1.00 0.00 H new ATOM 1140 N TYR A 81 -11.698 -10.156 6.149 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.092 -10.524 5.930 1.00 0.00 C ATOM 1142 C TYR A 81 -13.778 -10.869 7.249 1.00 0.00 C ATOM 1143 O TYR A 81 -13.160 -11.375 8.186 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.182 -11.712 4.970 1.00 0.00 C ATOM 1145 CG TYR A 81 -12.387 -11.524 3.698 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -12.488 -10.351 2.959 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -11.534 -12.518 3.236 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -11.764 -10.176 1.796 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -10.805 -12.351 2.074 1.00 0.00 C ATOM 1150 CZ TYR A 81 -10.924 -11.178 1.358 1.00 0.00 C ATOM 1151 OH TYR A 81 -10.200 -11.006 0.200 1.00 0.00 O ATOM 0 H TYR A 81 -11.024 -10.859 5.847 1.00 0.00 H new ATOM 0 HA TYR A 81 -13.603 -9.668 5.489 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -12.829 -12.608 5.480 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.228 -11.883 4.713 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -13.144 -9.563 3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.439 -13.437 3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.855 -9.259 1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.146 -13.134 1.729 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.989 -10.056 0.084 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.087 -10.589 7.324 1.00 0.00 N ATOM 1162 CA PRO A 82 -15.888 -10.861 8.522 1.00 0.00 C ATOM 1163 C PRO A 82 -16.094 -12.354 8.754 1.00 0.00 C ATOM 1164 O PRO A 82 -17.078 -12.933 8.297 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.223 -10.177 8.219 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.302 -10.142 6.731 1.00 0.00 C ATOM 1167 CD PRO A 82 -15.888 -9.985 6.245 1.00 0.00 C ATOM 0 HA PRO A 82 -15.404 -10.497 9.428 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.058 -10.732 8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.258 -9.173 8.641 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -17.749 -11.057 6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -17.925 -9.314 6.393 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -15.731 -10.495 5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.630 -8.937 6.091 1.00 0.00 H new ATOM 1175 N GLY A 83 -15.158 -12.972 9.468 1.00 0.00 N ATOM 1176 CA GLY A 83 -15.256 -14.392 9.749 1.00 0.00 C ATOM 1177 C GLY A 83 -15.206 -15.237 8.491 1.00 0.00 C ATOM 1178 O GLY A 83 -16.163 -15.937 8.167 1.00 0.00 O ATOM 0 H GLY A 83 -14.334 -12.514 9.857 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.442 -14.685 10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -16.187 -14.591 10.280 1.00 0.00 H new ATOM 1182 N GLY A 84 -14.085 -15.169 7.779 1.00 0.00 N ATOM 1183 CA GLY A 84 -13.935 -15.937 6.556 1.00 0.00 C ATOM 1184 C GLY A 84 -12.583 -15.730 5.904 1.00 0.00 C ATOM 1185 O GLY A 84 -12.500 -15.363 4.733 1.00 0.00 O ATOM 0 H GLY A 84 -13.278 -14.596 8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.070 -16.996 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.720 -15.655 5.855 1.00 0.00 H new ATOM 1189 N GLY A 85 -11.518 -15.965 6.665 1.00 0.00 N ATOM 1190 CA GLY A 85 -10.177 -15.795 6.137 1.00 0.00 C ATOM 1191 C GLY A 85 -9.874 -14.354 5.776 1.00 0.00 C ATOM 1192 O GLY A 85 -10.597 -13.442 6.176 1.00 0.00 O ATOM 0 H GLY A 85 -11.560 -16.270 7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.453 -16.141 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.056 -16.421 5.253 1.00 0.00 H new ATOM 1196 N SER A 86 -8.800 -14.148 5.020 1.00 0.00 N ATOM 1197 CA SER A 86 -8.400 -12.808 4.610 1.00 0.00 C ATOM 1198 C SER A 86 -7.437 -12.866 3.428 1.00 0.00 C ATOM 1199 O SER A 86 -6.744 -13.863 3.226 1.00 0.00 O ATOM 1200 CB SER A 86 -7.746 -12.068 5.779 1.00 0.00 C ATOM 1201 OG SER A 86 -6.701 -12.837 6.349 1.00 0.00 O ATOM 0 H SER A 86 -8.192 -14.892 4.679 1.00 0.00 H new ATOM 0 HA SER A 86 -9.295 -12.267 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.352 -11.112 5.434 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.496 -11.848 6.539 1.00 0.00 H new ATOM 0 HG SER A 86 -6.298 -12.342 7.092 1.00 0.00 H new ATOM 1207 N SER A 87 -7.400 -11.789 2.649 1.00 0.00 N ATOM 1208 CA SER A 87 -6.526 -11.718 1.484 1.00 0.00 C ATOM 1209 C SER A 87 -5.488 -10.612 1.651 1.00 0.00 C ATOM 1210 O SER A 87 -5.603 -9.763 2.535 1.00 0.00 O ATOM 1211 CB SER A 87 -7.348 -11.474 0.217 1.00 0.00 C ATOM 1212 OG SER A 87 -8.194 -12.576 -0.061 1.00 0.00 O ATOM 0 H SER A 87 -7.965 -10.954 2.804 1.00 0.00 H new ATOM 0 HA SER A 87 -6.005 -12.671 1.392 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.948 -10.572 0.337 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.680 -11.302 -0.627 1.00 0.00 H new ATOM 0 HG SER A 87 -9.108 -12.367 0.225 1.00 0.00 H new ATOM 1218 N THR A 88 -4.472 -10.629 0.793 1.00 0.00 N ATOM 1219 CA THR A 88 -3.412 -9.630 0.845 1.00 0.00 C ATOM 1220 C THR A 88 -2.903 -9.296 -0.553 1.00 0.00 C ATOM 1221 O THR A 88 -2.179 -10.082 -1.165 1.00 0.00 O ATOM 1222 CB THR A 88 -2.230 -10.108 1.709 1.00 0.00 C ATOM 1223 OG1 THR A 88 -2.712 -10.625 2.955 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.254 -8.971 1.969 1.00 0.00 C ATOM 0 H THR A 88 -4.361 -11.324 0.054 1.00 0.00 H new ATOM 0 HA THR A 88 -3.843 -8.736 1.296 1.00 0.00 H new ATOM 0 HB THR A 88 -1.708 -10.896 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.955 -10.928 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.428 -9.333 2.581 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.867 -8.600 1.020 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.767 -8.164 2.492 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.285 -8.126 -1.053 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.865 -7.687 -2.379 1.00 0.00 C ATOM 1234 C LEU A 89 -1.497 -7.015 -2.324 1.00 0.00 C ATOM 1235 O LEU A 89 -1.362 -5.895 -1.830 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.896 -6.723 -2.968 1.00 0.00 C ATOM 1237 CG LEU A 89 -5.020 -7.359 -3.787 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.174 -6.384 -3.958 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.501 -7.817 -5.142 1.00 0.00 C ATOM 0 H LEU A 89 -3.885 -7.464 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.791 -8.566 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.344 -6.158 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.373 -6.006 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.386 -8.232 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.964 -6.854 -4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.564 -6.107 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.822 -5.491 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.315 -8.267 -5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.107 -6.961 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.709 -8.552 -4.999 1.00 0.00 H new ATOM 1251 N THR A 90 -0.483 -7.707 -2.835 1.00 0.00 N ATOM 1252 CA THR A 90 0.875 -7.177 -2.845 1.00 0.00 C ATOM 1253 C THR A 90 1.097 -6.254 -4.037 1.00 0.00 C ATOM 1254 O THR A 90 0.649 -6.539 -5.147 1.00 0.00 O ATOM 1255 CB THR A 90 1.919 -8.309 -2.885 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.229 -8.642 -4.243 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.407 -9.544 -2.159 1.00 0.00 C ATOM 0 H THR A 90 -0.577 -8.635 -3.247 1.00 0.00 H new ATOM 0 HA THR A 90 0.999 -6.610 -1.923 1.00 0.00 H new ATOM 0 HB THR A 90 2.821 -7.959 -2.382 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.895 -9.361 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.161 -10.330 -2.201 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.200 -9.295 -1.118 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.492 -9.894 -2.637 1.00 0.00 H new ATOM 1265 N GLY A 91 1.791 -5.145 -3.801 1.00 0.00 N ATOM 1266 CA GLY A 91 2.061 -4.197 -4.866 1.00 0.00 C ATOM 1267 C GLY A 91 3.261 -3.320 -4.572 1.00 0.00 C ATOM 1268 O GLY A 91 3.305 -2.640 -3.546 1.00 0.00 O ATOM 0 H GLY A 91 2.171 -4.886 -2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.231 -4.739 -5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.184 -3.568 -5.019 1.00 0.00 H new ATOM 1272 N ARG A 92 4.239 -3.336 -5.471 1.00 0.00 N ATOM 1273 CA ARG A 92 5.448 -2.539 -5.301 1.00 0.00 C ATOM 1274 C ARG A 92 5.309 -1.187 -5.996 1.00 0.00 C ATOM 1275 O ARG A 92 4.763 -1.095 -7.095 1.00 0.00 O ATOM 1276 CB ARG A 92 6.661 -3.287 -5.857 1.00 0.00 C ATOM 1277 CG ARG A 92 6.990 -4.562 -5.097 1.00 0.00 C ATOM 1278 CD ARG A 92 8.449 -4.953 -5.271 1.00 0.00 C ATOM 1279 NE ARG A 92 8.694 -5.595 -6.559 1.00 0.00 N ATOM 1280 CZ ARG A 92 9.907 -5.873 -7.024 1.00 0.00 C ATOM 1281 NH1 ARG A 92 10.980 -5.565 -6.309 1.00 0.00 N ATOM 1282 NH2 ARG A 92 10.048 -6.459 -8.206 1.00 0.00 N ATOM 0 H ARG A 92 4.218 -3.893 -6.325 1.00 0.00 H new ATOM 0 HA ARG A 92 5.593 -2.368 -4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.477 -3.534 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.527 -2.626 -5.833 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.774 -4.422 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.351 -5.372 -5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.075 -4.065 -5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.741 -5.629 -4.468 1.00 0.00 H new ATOM 0 HE ARG A 92 7.889 -5.844 -7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.875 -5.114 -5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.911 -5.779 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.224 -6.697 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.980 -6.672 -8.562 1.00 0.00 H new ATOM 1296 N VAL A 93 5.806 -0.140 -5.346 1.00 0.00 N ATOM 1297 CA VAL A 93 5.739 1.207 -5.900 1.00 0.00 C ATOM 1298 C VAL A 93 6.981 2.014 -5.538 1.00 0.00 C ATOM 1299 O VAL A 93 7.385 2.064 -4.376 1.00 0.00 O ATOM 1300 CB VAL A 93 4.489 1.957 -5.402 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.560 2.172 -3.897 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.338 3.284 -6.131 1.00 0.00 C ATOM 0 H VAL A 93 6.260 -0.199 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 93 5.682 1.101 -6.983 1.00 0.00 H new ATOM 0 HB VAL A 93 3.611 1.348 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.669 2.703 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.617 1.207 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.445 2.760 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.450 3.800 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.217 3.902 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.238 3.102 -7.201 1.00 0.00 H new ATOM 1312 N THR A 94 7.583 2.645 -6.541 1.00 0.00 N ATOM 1313 CA THR A 94 8.780 3.449 -6.329 1.00 0.00 C ATOM 1314 C THR A 94 8.424 4.914 -6.101 1.00 0.00 C ATOM 1315 O THR A 94 7.939 5.595 -7.005 1.00 0.00 O ATOM 1316 CB THR A 94 9.744 3.348 -7.526 1.00 0.00 C ATOM 1317 OG1 THR A 94 10.012 1.973 -7.824 1.00 0.00 O ATOM 1318 CG2 THR A 94 11.049 4.073 -7.233 1.00 0.00 C ATOM 0 H THR A 94 7.261 2.615 -7.508 1.00 0.00 H new ATOM 0 HA THR A 94 9.273 3.054 -5.441 1.00 0.00 H new ATOM 0 HB THR A 94 9.270 3.820 -8.387 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.624 1.917 -8.587 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.714 3.988 -8.093 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.844 5.125 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.526 3.626 -6.360 1.00 0.00 H new ATOM 1326 N THR A 95 8.669 5.395 -4.886 1.00 0.00 N ATOM 1327 CA THR A 95 8.375 6.779 -4.538 1.00 0.00 C ATOM 1328 C THR A 95 9.178 7.746 -5.401 1.00 0.00 C ATOM 1329 O THR A 95 10.214 7.383 -5.958 1.00 0.00 O ATOM 1330 CB THR A 95 8.676 7.062 -3.054 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.893 6.413 -2.669 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.536 6.580 -2.169 1.00 0.00 C ATOM 0 H THR A 95 9.071 4.846 -4.126 1.00 0.00 H new ATOM 0 HA THR A 95 7.311 6.931 -4.721 1.00 0.00 H new ATOM 0 HB THR A 95 8.783 8.139 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.049 6.551 -1.711 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.771 6.791 -1.126 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.617 7.097 -2.445 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.402 5.506 -2.301 1.00 0.00 H new ATOM 1340 N LYS A 96 8.694 8.979 -5.507 1.00 0.00 N ATOM 1341 CA LYS A 96 9.367 10.000 -6.301 1.00 0.00 C ATOM 1342 C LYS A 96 10.578 10.555 -5.559 1.00 0.00 C ATOM 1343 O LYS A 96 10.742 10.329 -4.359 1.00 0.00 O ATOM 1344 CB LYS A 96 8.398 11.135 -6.638 1.00 0.00 C ATOM 1345 CG LYS A 96 7.093 10.658 -7.253 1.00 0.00 C ATOM 1346 CD LYS A 96 6.511 11.696 -8.198 1.00 0.00 C ATOM 1347 CE LYS A 96 5.672 11.047 -9.289 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.986 12.061 -10.138 1.00 0.00 N ATOM 0 H LYS A 96 7.837 9.295 -5.053 1.00 0.00 H new ATOM 0 HA LYS A 96 9.710 9.537 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.178 11.696 -5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.885 11.824 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.263 9.727 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.375 10.441 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.897 12.399 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.319 12.270 -8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.310 10.422 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.929 10.391 -8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.425 11.579 -10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.358 12.642 -9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.696 12.671 -10.592 1.00 0.00 H new ATOM 1362 N LYS A 97 11.425 11.284 -6.278 1.00 0.00 N ATOM 1363 CA LYS A 97 12.620 11.874 -5.688 1.00 0.00 C ATOM 1364 C LYS A 97 12.264 13.092 -4.841 1.00 0.00 C ATOM 1365 O LYS A 97 11.369 13.862 -5.190 1.00 0.00 O ATOM 1366 CB LYS A 97 13.611 12.274 -6.784 1.00 0.00 C ATOM 1367 CG LYS A 97 14.539 11.148 -7.204 1.00 0.00 C ATOM 1368 CD LYS A 97 15.254 11.471 -8.506 1.00 0.00 C ATOM 1369 CE LYS A 97 15.573 10.210 -9.294 1.00 0.00 C ATOM 1370 NZ LYS A 97 14.463 9.834 -10.212 1.00 0.00 N ATOM 0 H LYS A 97 11.305 11.480 -7.272 1.00 0.00 H new ATOM 0 HA LYS A 97 13.083 11.127 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.056 12.620 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.209 13.115 -6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.274 10.969 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.967 10.228 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.632 12.131 -9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.177 12.011 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.485 10.363 -9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.767 9.389 -8.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.719 8.970 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.599 9.663 -9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.295 10.606 -10.888 1.00 0.00 H new ATOM 1384 N ALA A 98 12.971 13.261 -3.729 1.00 0.00 N ATOM 1385 CA ALA A 98 12.731 14.387 -2.835 1.00 0.00 C ATOM 1386 C ALA A 98 13.709 15.524 -3.110 1.00 0.00 C ATOM 1387 O ALA A 98 14.862 15.307 -3.484 1.00 0.00 O ATOM 1388 CB ALA A 98 12.833 13.940 -1.384 1.00 0.00 C ATOM 0 H ALA A 98 13.715 12.632 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 98 11.723 14.757 -3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.652 14.791 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.091 13.166 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.830 13.542 -1.195 1.00 0.00 H new ATOM 1394 N PRO A 99 13.241 16.767 -2.922 1.00 0.00 N ATOM 1395 CA PRO A 99 14.058 17.963 -3.145 1.00 0.00 C ATOM 1396 C PRO A 99 15.159 18.115 -2.101 1.00 0.00 C ATOM 1397 O PRO A 99 14.927 17.922 -0.908 1.00 0.00 O ATOM 1398 CB PRO A 99 13.050 19.109 -3.030 1.00 0.00 C ATOM 1399 CG PRO A 99 11.961 18.569 -2.168 1.00 0.00 C ATOM 1400 CD PRO A 99 11.877 17.100 -2.478 1.00 0.00 C ATOM 0 HA PRO A 99 14.577 17.929 -4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.505 19.994 -2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.671 19.403 -4.009 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.181 18.733 -1.113 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.014 19.067 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.587 16.520 -1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.140 16.895 -3.254 1.00 0.00 H new ATOM 1408 N SER A 100 16.358 18.463 -2.559 1.00 0.00 N ATOM 1409 CA SER A 100 17.496 18.638 -1.664 1.00 0.00 C ATOM 1410 C SER A 100 17.086 19.397 -0.406 1.00 0.00 C ATOM 1411 O SER A 100 16.248 20.298 -0.439 1.00 0.00 O ATOM 1412 CB SER A 100 18.624 19.384 -2.379 1.00 0.00 C ATOM 1413 OG SER A 100 18.233 20.706 -2.708 1.00 0.00 O ATOM 0 H SER A 100 16.566 18.629 -3.544 1.00 0.00 H new ATOM 0 HA SER A 100 17.852 17.650 -1.371 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.508 19.411 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 100 18.902 18.847 -3.286 1.00 0.00 H new ATOM 0 HG SER A 100 18.972 21.162 -3.162 1.00 0.00 H new ATOM 1419 N PRO A 101 17.691 19.025 0.732 1.00 0.00 N ATOM 1420 CA PRO A 101 17.407 19.657 2.024 1.00 0.00 C ATOM 1421 C PRO A 101 17.932 21.087 2.097 1.00 0.00 C ATOM 1422 O PRO A 101 17.612 21.829 3.026 1.00 0.00 O ATOM 1423 CB PRO A 101 18.143 18.765 3.026 1.00 0.00 C ATOM 1424 CG PRO A 101 19.240 18.136 2.238 1.00 0.00 C ATOM 1425 CD PRO A 101 18.700 17.958 0.846 1.00 0.00 C ATOM 0 HA PRO A 101 16.336 19.737 2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 101 18.537 19.347 3.859 1.00 0.00 H new ATOM 0 HB3 PRO A 101 17.478 18.012 3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 101 20.129 18.767 2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 101 19.531 17.178 2.669 1.00 0.00 H new ATOM 0 HD2 PRO A 101 19.483 18.063 0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 101 18.258 16.971 0.710 1.00 0.00 H new ATOM 1433 N SER A 102 18.739 21.468 1.112 1.00 0.00 N ATOM 1434 CA SER A 102 19.311 22.808 1.067 1.00 0.00 C ATOM 1435 C SER A 102 18.226 23.854 0.828 1.00 0.00 C ATOM 1436 O SER A 102 17.518 23.810 -0.178 1.00 0.00 O ATOM 1437 CB SER A 102 20.372 22.896 -0.032 1.00 0.00 C ATOM 1438 OG SER A 102 20.766 24.239 -0.253 1.00 0.00 O ATOM 0 H SER A 102 19.011 20.867 0.334 1.00 0.00 H new ATOM 0 HA SER A 102 19.779 23.009 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.241 22.300 0.248 1.00 0.00 H new ATOM 0 HB3 SER A 102 19.979 22.472 -0.956 1.00 0.00 H new ATOM 0 HG SER A 102 21.446 24.269 -0.958 1.00 0.00 H new ATOM 1444 N SER A 103 18.102 24.793 1.760 1.00 0.00 N ATOM 1445 CA SER A 103 17.101 25.849 1.653 1.00 0.00 C ATOM 1446 C SER A 103 17.764 27.203 1.420 1.00 0.00 C ATOM 1447 O SER A 103 18.697 27.580 2.127 1.00 0.00 O ATOM 1448 CB SER A 103 16.245 25.898 2.920 1.00 0.00 C ATOM 1449 OG SER A 103 17.054 25.983 4.080 1.00 0.00 O ATOM 0 H SER A 103 18.682 24.845 2.598 1.00 0.00 H new ATOM 0 HA SER A 103 16.461 25.626 0.799 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.575 26.757 2.877 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.619 25.007 2.974 1.00 0.00 H new ATOM 0 HG SER A 103 17.856 26.511 3.882 1.00 0.00 H new ATOM 1455 N GLY A 104 17.272 27.932 0.423 1.00 0.00 N ATOM 1456 CA GLY A 104 17.827 29.236 0.113 1.00 0.00 C ATOM 1457 C GLY A 104 16.772 30.324 0.089 1.00 0.00 C ATOM 1458 O GLY A 104 15.700 30.192 0.680 1.00 0.00 O ATOM 0 H GLY A 104 16.499 27.642 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 104 18.588 29.488 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 104 18.324 29.195 -0.856 1.00 0.00 H new ATOM 1462 N PRO A 105 17.073 31.431 -0.606 1.00 0.00 N ATOM 1463 CA PRO A 105 16.156 32.569 -0.720 1.00 0.00 C ATOM 1464 C PRO A 105 14.936 32.246 -1.575 1.00 0.00 C ATOM 1465 O PRO A 105 14.805 31.137 -2.094 1.00 0.00 O ATOM 1466 CB PRO A 105 17.010 33.647 -1.392 1.00 0.00 C ATOM 1467 CG PRO A 105 18.050 32.892 -2.145 1.00 0.00 C ATOM 1468 CD PRO A 105 18.333 31.657 -1.335 1.00 0.00 C ATOM 0 HA PRO A 105 15.754 32.867 0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 105 16.411 34.268 -2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 105 17.460 34.312 -0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 105 17.697 32.632 -3.143 1.00 0.00 H new ATOM 0 HG3 PRO A 105 18.952 33.491 -2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 105 18.587 30.809 -1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 105 19.170 31.807 -0.653 1.00 0.00 H new ATOM 1476 N SER A 106 14.044 33.221 -1.718 1.00 0.00 N ATOM 1477 CA SER A 106 12.832 33.039 -2.508 1.00 0.00 C ATOM 1478 C SER A 106 12.258 34.385 -2.941 1.00 0.00 C ATOM 1479 O SER A 106 12.786 35.439 -2.588 1.00 0.00 O ATOM 1480 CB SER A 106 11.787 32.261 -1.705 1.00 0.00 C ATOM 1481 OG SER A 106 10.815 31.682 -2.559 1.00 0.00 O ATOM 0 H SER A 106 14.138 34.145 -1.297 1.00 0.00 H new ATOM 0 HA SER A 106 13.092 32.470 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.278 31.480 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.300 32.928 -0.994 1.00 0.00 H new ATOM 0 HG SER A 106 10.160 31.189 -2.022 1.00 0.00 H new ATOM 1487 N SER A 107 11.174 34.339 -3.709 1.00 0.00 N ATOM 1488 CA SER A 107 10.530 35.554 -4.195 1.00 0.00 C ATOM 1489 C SER A 107 9.013 35.449 -4.075 1.00 0.00 C ATOM 1490 O SER A 107 8.443 34.365 -4.188 1.00 0.00 O ATOM 1491 CB SER A 107 10.922 35.818 -5.650 1.00 0.00 C ATOM 1492 OG SER A 107 10.318 37.005 -6.134 1.00 0.00 O ATOM 0 H SER A 107 10.723 33.474 -4.008 1.00 0.00 H new ATOM 0 HA SER A 107 10.869 36.387 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.006 35.900 -5.729 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.620 34.974 -6.270 1.00 0.00 H new ATOM 0 HG SER A 107 10.586 37.152 -7.065 1.00 0.00 H new ATOM 1498 N GLY A 108 8.363 36.587 -3.847 1.00 0.00 N ATOM 1499 CA GLY A 108 6.918 36.603 -3.716 1.00 0.00 C ATOM 1500 C GLY A 108 6.222 35.940 -4.888 1.00 0.00 C ATOM 1501 O GLY A 108 6.054 36.550 -5.944 1.00 0.00 O ATOM 0 H GLY A 108 8.812 37.498 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.634 36.095 -2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.575 37.634 -3.630 1.00 0.00 H new TER 1505 GLY A 108