USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 847 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.6!) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 6 SER OG : rot 160:sc= 0.0779 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0777 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00319 X(o=-0.0032,f=-0.3) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.0388 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -98:sc= 0.0324 USER MOD Single : A 24 SER OG : rot 180:sc= -0.377 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00553 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= 0.0443 K(o=0.044,f=-1.6) USER MOD Single : A 60 GLN : amide:sc= -0.0457 K(o=-0.046,f=-1.7!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -1.52 X(o=-1.5,f=-1.7) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0362 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00258 USER MOD Single : A 81 THR OG1 : rot 27:sc= 0.0822 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0608 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-0.22) USER MOD Single : A 95 LYS NZ :NH3+ -143:sc= 1.01 (180deg=0.293) USER MOD Single : A 98 SER OG : rot 28:sc= 0.158 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 105 THR OG1 : rot 166:sc= 1.51 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 54:sc= 0.00227 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.017 -13.046 14.055 1.00 0.00 N ATOM 2 CA GLY A 1 -8.148 -14.155 13.129 1.00 0.00 C ATOM 3 C GLY A 1 -9.194 -15.159 13.571 1.00 0.00 C ATOM 4 O GLY A 1 -10.008 -14.872 14.448 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.012 -12.151 13.526 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.817 -13.052 14.719 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.127 -13.139 14.585 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.410 -13.772 12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.186 -14.657 13.030 1.00 0.00 H new ATOM 8 N SER A 2 -9.173 -16.340 12.961 1.00 0.00 N ATOM 9 CA SER A 2 -10.131 -17.388 13.293 1.00 0.00 C ATOM 10 C SER A 2 -10.162 -17.639 14.797 1.00 0.00 C ATOM 11 O SER A 2 -9.283 -17.187 15.532 1.00 0.00 O ATOM 12 CB SER A 2 -9.779 -18.682 12.556 1.00 0.00 C ATOM 13 OG SER A 2 -9.955 -18.536 11.157 1.00 0.00 O ATOM 0 H SER A 2 -8.504 -16.595 12.235 1.00 0.00 H new ATOM 0 HA SER A 2 -11.120 -17.055 12.977 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.746 -18.956 12.769 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.406 -19.495 12.922 1.00 0.00 H new ATOM 0 HG SER A 2 -9.722 -19.376 10.709 1.00 0.00 H new ATOM 19 N SER A 3 -11.182 -18.362 15.249 1.00 0.00 N ATOM 20 CA SER A 3 -11.331 -18.670 16.667 1.00 0.00 C ATOM 21 C SER A 3 -11.038 -20.143 16.936 1.00 0.00 C ATOM 22 O SER A 3 -10.354 -20.485 17.900 1.00 0.00 O ATOM 23 CB SER A 3 -12.745 -18.326 17.139 1.00 0.00 C ATOM 24 OG SER A 3 -13.032 -16.954 16.932 1.00 0.00 O ATOM 0 H SER A 3 -11.917 -18.745 14.654 1.00 0.00 H new ATOM 0 HA SER A 3 -10.613 -18.067 17.222 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.470 -18.937 16.602 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.847 -18.567 18.197 1.00 0.00 H new ATOM 0 HG SER A 3 -13.942 -16.760 17.240 1.00 0.00 H new ATOM 30 N GLY A 4 -11.561 -21.012 16.076 1.00 0.00 N ATOM 31 CA GLY A 4 -11.344 -22.437 16.237 1.00 0.00 C ATOM 32 C GLY A 4 -9.992 -22.882 15.715 1.00 0.00 C ATOM 33 O GLY A 4 -8.954 -22.416 16.185 1.00 0.00 O ATOM 0 H GLY A 4 -12.131 -20.754 15.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.425 -22.696 17.293 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.129 -22.982 15.713 1.00 0.00 H new ATOM 37 N SER A 5 -10.004 -23.786 14.741 1.00 0.00 N ATOM 38 CA SER A 5 -8.769 -24.297 14.158 1.00 0.00 C ATOM 39 C SER A 5 -8.588 -23.785 12.732 1.00 0.00 C ATOM 40 O SER A 5 -9.516 -23.826 11.924 1.00 0.00 O ATOM 41 CB SER A 5 -8.772 -25.827 14.166 1.00 0.00 C ATOM 42 OG SER A 5 -7.463 -26.341 13.988 1.00 0.00 O ATOM 0 H SER A 5 -10.855 -24.180 14.339 1.00 0.00 H new ATOM 0 HA SER A 5 -7.936 -23.939 14.762 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.183 -26.188 15.109 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.422 -26.197 13.373 1.00 0.00 H new ATOM 0 HG SER A 5 -7.492 -27.321 13.999 1.00 0.00 H new ATOM 48 N SER A 6 -7.386 -23.303 12.431 1.00 0.00 N ATOM 49 CA SER A 6 -7.084 -22.779 11.105 1.00 0.00 C ATOM 50 C SER A 6 -5.581 -22.580 10.929 1.00 0.00 C ATOM 51 O SER A 6 -4.897 -22.102 11.833 1.00 0.00 O ATOM 52 CB SER A 6 -7.815 -21.455 10.877 1.00 0.00 C ATOM 53 OG SER A 6 -8.055 -21.235 9.498 1.00 0.00 O ATOM 0 H SER A 6 -6.606 -23.265 13.088 1.00 0.00 H new ATOM 0 HA SER A 6 -7.426 -23.506 10.368 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.762 -21.461 11.417 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.222 -20.635 11.281 1.00 0.00 H new ATOM 0 HG SER A 6 -8.777 -20.581 9.392 1.00 0.00 H new ATOM 59 N GLY A 7 -5.074 -22.951 9.757 1.00 0.00 N ATOM 60 CA GLY A 7 -3.656 -22.807 9.483 1.00 0.00 C ATOM 61 C GLY A 7 -3.171 -21.384 9.676 1.00 0.00 C ATOM 62 O GLY A 7 -3.934 -20.511 10.089 1.00 0.00 O ATOM 0 H GLY A 7 -5.620 -23.349 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.093 -23.472 10.138 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.453 -23.121 8.459 1.00 0.00 H new ATOM 66 N SER A 8 -1.897 -21.149 9.376 1.00 0.00 N ATOM 67 CA SER A 8 -1.309 -19.823 9.524 1.00 0.00 C ATOM 68 C SER A 8 -1.637 -18.946 8.319 1.00 0.00 C ATOM 69 O SER A 8 -2.036 -19.443 7.266 1.00 0.00 O ATOM 70 CB SER A 8 0.207 -19.930 9.694 1.00 0.00 C ATOM 71 OG SER A 8 0.792 -20.638 8.614 1.00 0.00 O ATOM 0 H SER A 8 -1.253 -21.860 9.029 1.00 0.00 H new ATOM 0 HA SER A 8 -1.735 -19.361 10.415 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.641 -18.932 9.756 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.436 -20.436 10.632 1.00 0.00 H new ATOM 0 HG SER A 8 1.762 -20.691 8.745 1.00 0.00 H new ATOM 77 N ARG A 9 -1.466 -17.638 8.483 1.00 0.00 N ATOM 78 CA ARG A 9 -1.744 -16.691 7.410 1.00 0.00 C ATOM 79 C ARG A 9 -1.010 -15.374 7.643 1.00 0.00 C ATOM 80 O ARG A 9 -0.804 -14.942 8.778 1.00 0.00 O ATOM 81 CB ARG A 9 -3.249 -16.437 7.302 1.00 0.00 C ATOM 82 CG ARG A 9 -4.058 -17.689 7.008 1.00 0.00 C ATOM 83 CD ARG A 9 -5.534 -17.369 6.827 1.00 0.00 C ATOM 84 NE ARG A 9 -6.379 -18.540 7.046 1.00 0.00 N ATOM 85 CZ ARG A 9 -7.687 -18.555 6.816 1.00 0.00 C ATOM 86 NH1 ARG A 9 -8.296 -17.469 6.362 1.00 0.00 N ATOM 87 NH2 ARG A 9 -8.388 -19.660 7.039 1.00 0.00 N ATOM 0 H ARG A 9 -1.136 -17.210 9.348 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.388 -17.125 6.476 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.602 -15.997 8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.430 -15.705 6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.675 -18.168 6.107 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.936 -18.402 7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.822 -16.580 7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.701 -16.985 5.821 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.941 -19.393 7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.760 -16.619 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.301 -17.483 6.186 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.922 -20.498 7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.393 -19.671 6.862 1.00 0.00 H new ATOM 101 N PRO A 10 -0.605 -14.719 6.545 1.00 0.00 N ATOM 102 CA PRO A 10 0.112 -13.442 6.605 1.00 0.00 C ATOM 103 C PRO A 10 -0.779 -12.298 7.077 1.00 0.00 C ATOM 104 O PRO A 10 -1.951 -12.219 6.709 1.00 0.00 O ATOM 105 CB PRO A 10 0.551 -13.214 5.156 1.00 0.00 C ATOM 106 CG PRO A 10 -0.433 -13.976 4.338 1.00 0.00 C ATOM 107 CD PRO A 10 -0.816 -15.174 5.161 1.00 0.00 C ATOM 0 HA PRO A 10 0.938 -13.471 7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.541 -12.154 4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.567 -13.572 4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.306 -13.365 4.108 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.003 -14.280 3.386 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.852 -15.466 4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.197 -16.039 4.924 1.00 0.00 H new ATOM 115 N ARG A 11 -0.216 -11.414 7.894 1.00 0.00 N ATOM 116 CA ARG A 11 -0.960 -10.275 8.418 1.00 0.00 C ATOM 117 C ARG A 11 -0.281 -8.962 8.041 1.00 0.00 C ATOM 118 O ARG A 11 0.758 -8.955 7.379 1.00 0.00 O ATOM 119 CB ARG A 11 -1.088 -10.378 9.939 1.00 0.00 C ATOM 120 CG ARG A 11 -1.394 -11.783 10.431 1.00 0.00 C ATOM 121 CD ARG A 11 -0.122 -12.585 10.651 1.00 0.00 C ATOM 122 NE ARG A 11 -0.219 -13.455 11.820 1.00 0.00 N ATOM 123 CZ ARG A 11 -1.107 -14.437 11.934 1.00 0.00 C ATOM 124 NH1 ARG A 11 -1.970 -14.671 10.955 1.00 0.00 N ATOM 125 NH2 ARG A 11 -1.133 -15.186 13.029 1.00 0.00 N ATOM 0 H ARG A 11 0.753 -11.465 8.208 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.956 -10.289 7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.160 -10.036 10.397 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.877 -9.705 10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.957 -11.729 11.363 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.027 -12.294 9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.084 -13.188 9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.719 -11.903 10.775 1.00 0.00 H new ATOM 0 HE ARG A 11 0.430 -13.300 12.591 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.953 -14.097 10.112 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.651 -15.425 11.045 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.471 -15.008 13.784 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.815 -15.939 13.115 1.00 0.00 H new ATOM 139 N LEU A 12 -0.873 -7.852 8.467 1.00 0.00 N ATOM 140 CA LEU A 12 -0.325 -6.531 8.175 1.00 0.00 C ATOM 141 C LEU A 12 0.514 -6.020 9.342 1.00 0.00 C ATOM 142 O LEU A 12 0.427 -6.536 10.455 1.00 0.00 O ATOM 143 CB LEU A 12 -1.454 -5.545 7.873 1.00 0.00 C ATOM 144 CG LEU A 12 -2.003 -5.570 6.446 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.404 -4.980 6.402 1.00 0.00 C ATOM 146 CD2 LEU A 12 -1.075 -4.816 5.504 1.00 0.00 C ATOM 0 H LEU A 12 -1.733 -7.840 9.016 1.00 0.00 H new ATOM 0 HA LEU A 12 0.318 -6.616 7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.276 -5.743 8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.096 -4.538 8.086 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.058 -6.608 6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.778 -5.006 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.064 -5.562 7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.375 -3.948 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.481 -4.844 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.988 -3.780 5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.090 -5.283 5.512 1.00 0.00 H new ATOM 158 N SER A 13 1.324 -4.999 9.078 1.00 0.00 N ATOM 159 CA SER A 13 2.181 -4.418 10.105 1.00 0.00 C ATOM 160 C SER A 13 1.625 -3.080 10.582 1.00 0.00 C ATOM 161 O SER A 13 0.636 -2.580 10.046 1.00 0.00 O ATOM 162 CB SER A 13 3.601 -4.231 9.569 1.00 0.00 C ATOM 163 OG SER A 13 4.556 -4.321 10.613 1.00 0.00 O ATOM 0 H SER A 13 1.405 -4.557 8.162 1.00 0.00 H new ATOM 0 HA SER A 13 2.208 -5.104 10.952 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.811 -4.988 8.814 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.683 -3.261 9.079 1.00 0.00 H new ATOM 0 HG SER A 13 5.456 -4.200 10.244 1.00 0.00 H new ATOM 169 N GLN A 14 2.268 -2.506 11.593 1.00 0.00 N ATOM 170 CA GLN A 14 1.838 -1.226 12.144 1.00 0.00 C ATOM 171 C GLN A 14 1.711 -0.176 11.045 1.00 0.00 C ATOM 172 O GLN A 14 2.710 0.266 10.475 1.00 0.00 O ATOM 173 CB GLN A 14 2.825 -0.748 13.210 1.00 0.00 C ATOM 174 CG GLN A 14 4.281 -0.874 12.793 1.00 0.00 C ATOM 175 CD GLN A 14 5.217 -0.093 13.694 1.00 0.00 C ATOM 176 OE1 GLN A 14 4.977 1.077 13.992 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.291 -0.738 14.134 1.00 0.00 N ATOM 0 H GLN A 14 3.089 -2.907 12.048 1.00 0.00 H new ATOM 0 HA GLN A 14 0.859 -1.367 12.602 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.613 0.294 13.448 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.667 -1.322 14.123 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.568 -1.926 12.802 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.393 -0.522 11.767 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.451 -1.708 13.862 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.956 -0.264 14.744 1.00 0.00 H new ATOM 186 N LEU A 15 0.477 0.219 10.751 1.00 0.00 N ATOM 187 CA LEU A 15 0.219 1.218 9.719 1.00 0.00 C ATOM 188 C LEU A 15 0.340 2.629 10.285 1.00 0.00 C ATOM 189 O LEU A 15 -0.552 3.107 10.985 1.00 0.00 O ATOM 190 CB LEU A 15 -1.174 1.013 9.121 1.00 0.00 C ATOM 191 CG LEU A 15 -1.652 2.092 8.149 1.00 0.00 C ATOM 192 CD1 LEU A 15 -0.754 2.141 6.923 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.097 1.842 7.743 1.00 0.00 C ATOM 0 H LEU A 15 -0.360 -0.137 11.212 1.00 0.00 H new ATOM 0 HA LEU A 15 0.966 1.096 8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.188 0.054 8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.892 0.944 9.938 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.599 3.057 8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.109 2.915 6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.267 2.368 7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.775 1.175 6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.420 2.620 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.175 0.869 7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.732 1.858 8.629 1.00 0.00 H new ATOM 205 N SER A 16 1.449 3.292 9.974 1.00 0.00 N ATOM 206 CA SER A 16 1.688 4.649 10.452 1.00 0.00 C ATOM 207 C SER A 16 1.446 5.667 9.342 1.00 0.00 C ATOM 208 O SER A 16 1.372 5.314 8.165 1.00 0.00 O ATOM 209 CB SER A 16 3.119 4.782 10.979 1.00 0.00 C ATOM 210 OG SER A 16 3.189 4.450 12.355 1.00 0.00 O ATOM 0 H SER A 16 2.196 2.912 9.393 1.00 0.00 H new ATOM 0 HA SER A 16 0.989 4.850 11.264 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.781 4.129 10.410 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.471 5.803 10.830 1.00 0.00 H new ATOM 0 HG SER A 16 4.114 4.541 12.667 1.00 0.00 H new ATOM 216 N VAL A 17 1.323 6.934 9.726 1.00 0.00 N ATOM 217 CA VAL A 17 1.090 8.005 8.765 1.00 0.00 C ATOM 218 C VAL A 17 2.218 9.030 8.800 1.00 0.00 C ATOM 219 O VAL A 17 2.420 9.714 9.804 1.00 0.00 O ATOM 220 CB VAL A 17 -0.247 8.720 9.034 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.380 9.953 8.154 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.414 7.769 8.814 1.00 0.00 C ATOM 0 H VAL A 17 1.381 7.243 10.696 1.00 0.00 H new ATOM 0 HA VAL A 17 1.054 7.542 7.779 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.263 9.043 10.075 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.331 10.445 8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.438 10.642 8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.342 9.657 7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.351 8.291 9.009 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.404 7.413 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.324 6.920 9.492 1.00 0.00 H new ATOM 232 N THR A 18 2.952 9.132 7.696 1.00 0.00 N ATOM 233 CA THR A 18 4.061 10.073 7.600 1.00 0.00 C ATOM 234 C THR A 18 3.785 11.142 6.548 1.00 0.00 C ATOM 235 O THR A 18 2.855 11.017 5.751 1.00 0.00 O ATOM 236 CB THR A 18 5.378 9.355 7.252 1.00 0.00 C ATOM 237 OG1 THR A 18 5.429 9.076 5.848 1.00 0.00 O ATOM 238 CG2 THR A 18 5.512 8.058 8.037 1.00 0.00 C ATOM 0 H THR A 18 2.798 8.574 6.856 1.00 0.00 H new ATOM 0 HA THR A 18 4.161 10.545 8.577 1.00 0.00 H new ATOM 0 HB THR A 18 6.205 10.012 7.522 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.270 8.621 5.635 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.450 7.569 7.774 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.503 8.276 9.105 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.679 7.398 7.795 1.00 0.00 H new ATOM 246 N ASP A 19 4.599 12.192 6.552 1.00 0.00 N ATOM 247 CA ASP A 19 4.443 13.283 5.596 1.00 0.00 C ATOM 248 C ASP A 19 3.076 13.943 5.743 1.00 0.00 C ATOM 249 O ASP A 19 2.526 14.477 4.780 1.00 0.00 O ATOM 250 CB ASP A 19 4.624 12.768 4.168 1.00 0.00 C ATOM 251 CG ASP A 19 5.201 13.820 3.242 1.00 0.00 C ATOM 252 OD1 ASP A 19 5.991 14.662 3.719 1.00 0.00 O ATOM 253 OD2 ASP A 19 4.865 13.800 2.039 1.00 0.00 O ATOM 0 H ASP A 19 5.373 12.311 7.206 1.00 0.00 H new ATOM 0 HA ASP A 19 5.210 14.028 5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.281 11.898 4.179 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.661 12.435 3.780 1.00 0.00 H new ATOM 258 N VAL A 20 2.531 13.901 6.955 1.00 0.00 N ATOM 259 CA VAL A 20 1.227 14.495 7.228 1.00 0.00 C ATOM 260 C VAL A 20 1.121 15.889 6.620 1.00 0.00 C ATOM 261 O VAL A 20 1.667 16.855 7.154 1.00 0.00 O ATOM 262 CB VAL A 20 0.958 14.584 8.742 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.495 14.950 9.005 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.318 13.274 9.425 1.00 0.00 C ATOM 0 H VAL A 20 2.972 13.462 7.763 1.00 0.00 H new ATOM 0 HA VAL A 20 0.480 13.846 6.772 1.00 0.00 H new ATOM 0 HB VAL A 20 1.587 15.370 9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.667 15.008 10.080 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.715 15.915 8.549 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.146 14.189 8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.122 13.355 10.494 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.716 12.468 9.006 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.375 13.059 9.266 1.00 0.00 H new ATOM 274 N THR A 21 0.412 15.987 5.500 1.00 0.00 N ATOM 275 CA THR A 21 0.233 17.263 4.819 1.00 0.00 C ATOM 276 C THR A 21 -0.987 18.005 5.352 1.00 0.00 C ATOM 277 O THR A 21 -1.921 17.394 5.873 1.00 0.00 O ATOM 278 CB THR A 21 0.078 17.071 3.298 1.00 0.00 C ATOM 279 OG1 THR A 21 0.801 15.910 2.875 1.00 0.00 O ATOM 280 CG2 THR A 21 0.583 18.292 2.544 1.00 0.00 C ATOM 0 H THR A 21 -0.048 15.198 5.045 1.00 0.00 H new ATOM 0 HA THR A 21 1.128 17.853 5.015 1.00 0.00 H new ATOM 0 HB THR A 21 -0.981 16.940 3.077 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.831 15.882 1.896 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.463 18.133 1.472 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.011 19.169 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.637 18.450 2.772 1.00 0.00 H new ATOM 288 N THR A 22 -0.975 19.328 5.219 1.00 0.00 N ATOM 289 CA THR A 22 -2.080 20.154 5.688 1.00 0.00 C ATOM 290 C THR A 22 -3.422 19.481 5.420 1.00 0.00 C ATOM 291 O THR A 22 -4.238 19.320 6.328 1.00 0.00 O ATOM 292 CB THR A 22 -2.071 21.540 5.015 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.820 21.402 3.612 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.013 22.437 5.639 1.00 0.00 C ATOM 0 H THR A 22 -0.211 19.850 4.790 1.00 0.00 H new ATOM 0 HA THR A 22 -1.947 20.279 6.763 1.00 0.00 H new ATOM 0 HB THR A 22 -3.048 21.999 5.165 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.818 22.287 3.191 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.025 23.410 5.148 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.224 22.564 6.701 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.031 21.981 5.516 1.00 0.00 H new ATOM 302 N SER A 23 -3.643 19.089 4.170 1.00 0.00 N ATOM 303 CA SER A 23 -4.888 18.435 3.783 1.00 0.00 C ATOM 304 C SER A 23 -4.612 17.078 3.142 1.00 0.00 C ATOM 305 O SER A 23 -5.418 16.574 2.360 1.00 0.00 O ATOM 306 CB SER A 23 -5.672 19.320 2.812 1.00 0.00 C ATOM 307 OG SER A 23 -6.072 20.529 3.434 1.00 0.00 O ATOM 0 H SER A 23 -2.977 19.213 3.408 1.00 0.00 H new ATOM 0 HA SER A 23 -5.483 18.278 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.057 19.542 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.551 18.783 2.454 1.00 0.00 H new ATOM 0 HG SER A 23 -7.003 20.452 3.729 1.00 0.00 H new ATOM 313 N SER A 24 -3.467 16.493 3.479 1.00 0.00 N ATOM 314 CA SER A 24 -3.082 15.196 2.934 1.00 0.00 C ATOM 315 C SER A 24 -2.120 14.476 3.874 1.00 0.00 C ATOM 316 O SER A 24 -1.785 14.983 4.946 1.00 0.00 O ATOM 317 CB SER A 24 -2.436 15.369 1.558 1.00 0.00 C ATOM 318 OG SER A 24 -3.014 16.456 0.856 1.00 0.00 O ATOM 0 H SER A 24 -2.790 16.896 4.127 1.00 0.00 H new ATOM 0 HA SER A 24 -3.983 14.591 2.831 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.365 15.535 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.556 14.453 0.979 1.00 0.00 H new ATOM 0 HG SER A 24 -2.583 16.546 -0.019 1.00 0.00 H new ATOM 324 N LEU A 25 -1.679 13.292 3.465 1.00 0.00 N ATOM 325 CA LEU A 25 -0.755 12.500 4.270 1.00 0.00 C ATOM 326 C LEU A 25 -0.298 11.259 3.510 1.00 0.00 C ATOM 327 O LEU A 25 -0.733 11.012 2.385 1.00 0.00 O ATOM 328 CB LEU A 25 -1.415 12.092 5.587 1.00 0.00 C ATOM 329 CG LEU A 25 -2.934 11.917 5.551 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.305 10.615 4.857 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.509 11.955 6.959 1.00 0.00 C ATOM 0 H LEU A 25 -1.946 12.859 2.581 1.00 0.00 H new ATOM 0 HA LEU A 25 0.119 13.114 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.969 11.154 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.174 12.843 6.339 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.362 12.743 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.390 10.508 4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.926 10.627 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.865 9.777 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.591 11.829 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.074 11.150 7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.274 12.913 7.422 1.00 0.00 H new ATOM 343 N ARG A 26 0.581 10.480 4.133 1.00 0.00 N ATOM 344 CA ARG A 26 1.096 9.264 3.517 1.00 0.00 C ATOM 345 C ARG A 26 1.081 8.104 4.508 1.00 0.00 C ATOM 346 O ARG A 26 1.290 8.294 5.707 1.00 0.00 O ATOM 347 CB ARG A 26 2.518 9.490 3.002 1.00 0.00 C ATOM 348 CG ARG A 26 3.021 8.381 2.092 1.00 0.00 C ATOM 349 CD ARG A 26 4.533 8.237 2.171 1.00 0.00 C ATOM 350 NE ARG A 26 4.986 6.944 1.668 1.00 0.00 N ATOM 351 CZ ARG A 26 5.088 6.653 0.376 1.00 0.00 C ATOM 352 NH1 ARG A 26 4.769 7.559 -0.538 1.00 0.00 N ATOM 353 NH2 ARG A 26 5.509 5.454 -0.005 1.00 0.00 N ATOM 0 H ARG A 26 0.951 10.670 5.064 1.00 0.00 H new ATOM 0 HA ARG A 26 0.449 9.011 2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.553 10.436 2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.193 9.584 3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.550 7.438 2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.728 8.592 1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.004 9.035 1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.855 8.357 3.205 1.00 0.00 H new ATOM 0 HE ARG A 26 5.238 6.224 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.444 8.482 -0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.848 7.333 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.755 4.754 0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.587 5.232 -0.998 1.00 0.00 H new ATOM 367 N LEU A 27 0.831 6.902 4.000 1.00 0.00 N ATOM 368 CA LEU A 27 0.788 5.710 4.840 1.00 0.00 C ATOM 369 C LEU A 27 1.931 4.760 4.496 1.00 0.00 C ATOM 370 O LEU A 27 2.496 4.822 3.405 1.00 0.00 O ATOM 371 CB LEU A 27 -0.553 4.994 4.675 1.00 0.00 C ATOM 372 CG LEU A 27 -1.741 5.615 5.412 1.00 0.00 C ATOM 373 CD1 LEU A 27 -3.037 5.334 4.667 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.818 5.088 6.837 1.00 0.00 C ATOM 0 H LEU A 27 0.655 6.727 3.011 1.00 0.00 H new ATOM 0 HA LEU A 27 0.900 6.023 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.792 4.953 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.437 3.965 5.016 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.596 6.695 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.871 5.783 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.981 5.760 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.189 4.257 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.669 5.540 7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.940 4.005 6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.900 5.341 7.368 1.00 0.00 H new ATOM 386 N ASN A 28 2.263 3.878 5.434 1.00 0.00 N ATOM 387 CA ASN A 28 3.337 2.913 5.229 1.00 0.00 C ATOM 388 C ASN A 28 3.118 1.667 6.081 1.00 0.00 C ATOM 389 O ASN A 28 3.128 1.733 7.310 1.00 0.00 O ATOM 390 CB ASN A 28 4.690 3.544 5.567 1.00 0.00 C ATOM 391 CG ASN A 28 4.972 4.784 4.740 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.497 4.697 3.630 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.624 5.946 5.279 1.00 0.00 N ATOM 0 H ASN A 28 1.804 3.812 6.342 1.00 0.00 H new ATOM 0 HA ASN A 28 3.333 2.620 4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.713 3.804 6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.481 2.812 5.401 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.789 6.814 4.770 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.191 5.971 6.202 1.00 0.00 H new ATOM 400 N TRP A 29 2.922 0.532 5.419 1.00 0.00 N ATOM 401 CA TRP A 29 2.701 -0.730 6.116 1.00 0.00 C ATOM 402 C TRP A 29 3.641 -1.811 5.594 1.00 0.00 C ATOM 403 O TRP A 29 4.205 -1.684 4.508 1.00 0.00 O ATOM 404 CB TRP A 29 1.247 -1.178 5.953 1.00 0.00 C ATOM 405 CG TRP A 29 0.839 -1.363 4.523 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.927 -2.510 3.787 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.281 -0.369 3.657 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.457 -2.289 2.515 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.054 -0.984 2.410 1.00 0.00 C ATOM 410 CE3 TRP A 29 -0.052 0.979 3.813 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.489 -0.295 1.328 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.590 1.661 2.738 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.805 1.024 1.509 1.00 0.00 C ATOM 0 H TRP A 29 2.912 0.460 4.402 1.00 0.00 H new ATOM 0 HA TRP A 29 2.909 -0.574 7.175 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.101 -2.116 6.489 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.593 -0.440 6.417 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.310 -3.452 4.151 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.415 -2.984 1.770 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.108 1.479 4.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.655 -0.785 0.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.849 2.704 2.847 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.228 1.585 0.689 1.00 0.00 H new ATOM 424 N GLU A 30 3.803 -2.875 6.375 1.00 0.00 N ATOM 425 CA GLU A 30 4.676 -3.978 5.990 1.00 0.00 C ATOM 426 C GLU A 30 3.899 -5.289 5.922 1.00 0.00 C ATOM 427 O GLU A 30 3.069 -5.576 6.785 1.00 0.00 O ATOM 428 CB GLU A 30 5.835 -4.110 6.981 1.00 0.00 C ATOM 429 CG GLU A 30 6.722 -5.316 6.721 1.00 0.00 C ATOM 430 CD GLU A 30 7.838 -5.019 5.739 1.00 0.00 C ATOM 431 OE1 GLU A 30 8.563 -4.023 5.948 1.00 0.00 O ATOM 432 OE2 GLU A 30 7.987 -5.781 4.761 1.00 0.00 O ATOM 0 H GLU A 30 3.342 -2.996 7.277 1.00 0.00 H new ATOM 0 HA GLU A 30 5.077 -3.762 5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.443 -3.206 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.432 -4.177 7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.153 -5.655 7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.113 -6.134 6.336 1.00 0.00 H new ATOM 439 N ALA A 31 4.173 -6.080 4.890 1.00 0.00 N ATOM 440 CA ALA A 31 3.501 -7.361 4.710 1.00 0.00 C ATOM 441 C ALA A 31 4.448 -8.399 4.116 1.00 0.00 C ATOM 442 O ALA A 31 5.369 -8.077 3.365 1.00 0.00 O ATOM 443 CB ALA A 31 2.275 -7.194 3.824 1.00 0.00 C ATOM 0 H ALA A 31 4.856 -5.856 4.166 1.00 0.00 H new ATOM 0 HA ALA A 31 3.182 -7.717 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.783 -8.158 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.583 -6.492 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.580 -6.812 2.850 1.00 0.00 H new ATOM 449 N PRO A 32 4.218 -9.675 4.459 1.00 0.00 N ATOM 450 CA PRO A 32 5.041 -10.786 3.971 1.00 0.00 C ATOM 451 C PRO A 32 4.838 -11.047 2.482 1.00 0.00 C ATOM 452 O PRO A 32 3.893 -10.555 1.864 1.00 0.00 O ATOM 453 CB PRO A 32 4.550 -11.979 4.795 1.00 0.00 C ATOM 454 CG PRO A 32 3.155 -11.626 5.180 1.00 0.00 C ATOM 455 CD PRO A 32 3.138 -10.132 5.349 1.00 0.00 C ATOM 0 HA PRO A 32 6.106 -10.584 4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.579 -12.900 4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.175 -12.137 5.674 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.447 -11.940 4.413 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.867 -12.127 6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.176 -9.706 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.321 -9.843 6.384 1.00 0.00 H new ATOM 463 N PRO A 33 5.743 -11.840 1.891 1.00 0.00 N ATOM 464 CA PRO A 33 5.684 -12.185 0.467 1.00 0.00 C ATOM 465 C PRO A 33 4.517 -13.112 0.144 1.00 0.00 C ATOM 466 O PRO A 33 4.149 -13.967 0.948 1.00 0.00 O ATOM 467 CB PRO A 33 7.016 -12.897 0.219 1.00 0.00 C ATOM 468 CG PRO A 33 7.408 -13.442 1.548 1.00 0.00 C ATOM 469 CD PRO A 33 6.895 -12.461 2.566 1.00 0.00 C ATOM 0 HA PRO A 33 5.532 -11.306 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.908 -13.692 -0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.768 -12.207 -0.163 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.977 -14.430 1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.490 -13.551 1.621 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.599 -12.958 3.490 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.652 -11.723 2.830 1.00 0.00 H new ATOM 477 N GLY A 34 3.938 -12.936 -1.041 1.00 0.00 N ATOM 478 CA GLY A 34 2.819 -13.764 -1.449 1.00 0.00 C ATOM 479 C GLY A 34 1.680 -13.734 -0.450 1.00 0.00 C ATOM 480 O GLY A 34 1.006 -14.741 -0.235 1.00 0.00 O ATOM 0 H GLY A 34 4.224 -12.235 -1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.456 -13.426 -2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.159 -14.792 -1.577 1.00 0.00 H new ATOM 484 N ALA A 35 1.465 -12.576 0.165 1.00 0.00 N ATOM 485 CA ALA A 35 0.399 -12.419 1.148 1.00 0.00 C ATOM 486 C ALA A 35 -0.898 -11.971 0.483 1.00 0.00 C ATOM 487 O ALA A 35 -1.881 -12.712 0.455 1.00 0.00 O ATOM 488 CB ALA A 35 0.815 -11.425 2.222 1.00 0.00 C ATOM 0 H ALA A 35 2.014 -11.733 0.000 1.00 0.00 H new ATOM 0 HA ALA A 35 0.222 -13.388 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.010 -11.317 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.712 -11.786 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.021 -10.458 1.763 1.00 0.00 H new ATOM 494 N PHE A 36 -0.896 -10.753 -0.049 1.00 0.00 N ATOM 495 CA PHE A 36 -2.074 -10.206 -0.712 1.00 0.00 C ATOM 496 C PHE A 36 -1.731 -9.723 -2.118 1.00 0.00 C ATOM 497 O PHE A 36 -0.617 -9.267 -2.376 1.00 0.00 O ATOM 498 CB PHE A 36 -2.656 -9.052 0.108 1.00 0.00 C ATOM 499 CG PHE A 36 -2.563 -9.265 1.592 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.562 -9.944 2.272 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.478 -8.786 2.307 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.479 -10.140 3.637 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.390 -8.979 3.673 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.391 -9.658 4.338 1.00 0.00 C ATOM 0 H PHE A 36 -0.092 -10.126 -0.034 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.818 -10.999 -0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.133 -8.132 -0.152 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.702 -8.913 -0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.415 -10.324 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.691 -8.255 1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.264 -10.670 4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.539 -8.599 4.219 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.324 -9.812 5.405 1.00 0.00 H new ATOM 514 N ASP A 37 -2.697 -9.828 -3.024 1.00 0.00 N ATOM 515 CA ASP A 37 -2.500 -9.403 -4.405 1.00 0.00 C ATOM 516 C ASP A 37 -2.521 -7.881 -4.513 1.00 0.00 C ATOM 517 O ASP A 37 -1.711 -7.288 -5.225 1.00 0.00 O ATOM 518 CB ASP A 37 -3.579 -10.006 -5.306 1.00 0.00 C ATOM 519 CG ASP A 37 -3.361 -9.675 -6.770 1.00 0.00 C ATOM 520 OD1 ASP A 37 -2.190 -9.639 -7.203 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.362 -9.454 -7.482 1.00 0.00 O ATOM 0 H ASP A 37 -3.624 -10.204 -2.827 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.524 -9.759 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.591 -11.089 -5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.556 -9.637 -4.995 1.00 0.00 H new ATOM 526 N SER A 38 -3.455 -7.256 -3.803 1.00 0.00 N ATOM 527 CA SER A 38 -3.585 -5.803 -3.823 1.00 0.00 C ATOM 528 C SER A 38 -4.033 -5.280 -2.461 1.00 0.00 C ATOM 529 O SER A 38 -4.278 -6.053 -1.536 1.00 0.00 O ATOM 530 CB SER A 38 -4.583 -5.375 -4.900 1.00 0.00 C ATOM 531 OG SER A 38 -5.728 -6.210 -4.896 1.00 0.00 O ATOM 0 H SER A 38 -4.132 -7.732 -3.207 1.00 0.00 H new ATOM 0 HA SER A 38 -2.608 -5.377 -4.053 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.883 -4.341 -4.732 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.105 -5.413 -5.879 1.00 0.00 H new ATOM 0 HG SER A 38 -6.351 -5.914 -5.592 1.00 0.00 H new ATOM 537 N PHE A 39 -4.137 -3.960 -2.348 1.00 0.00 N ATOM 538 CA PHE A 39 -4.554 -3.331 -1.100 1.00 0.00 C ATOM 539 C PHE A 39 -5.617 -2.266 -1.356 1.00 0.00 C ATOM 540 O PHE A 39 -5.438 -1.384 -2.197 1.00 0.00 O ATOM 541 CB PHE A 39 -3.350 -2.705 -0.392 1.00 0.00 C ATOM 542 CG PHE A 39 -2.568 -3.683 0.437 1.00 0.00 C ATOM 543 CD1 PHE A 39 -3.171 -4.362 1.484 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.230 -3.923 0.170 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.454 -5.263 2.248 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.508 -4.823 0.931 1.00 0.00 C ATOM 547 CZ PHE A 39 -1.120 -5.493 1.972 1.00 0.00 C ATOM 0 H PHE A 39 -3.938 -3.306 -3.105 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.983 -4.102 -0.460 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.689 -2.263 -1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.696 -1.893 0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.213 -4.185 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.746 -3.401 -0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.936 -5.787 3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.534 -5.002 0.712 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.557 -6.195 2.569 1.00 0.00 H new ATOM 557 N LEU A 40 -6.723 -2.356 -0.626 1.00 0.00 N ATOM 558 CA LEU A 40 -7.817 -1.401 -0.774 1.00 0.00 C ATOM 559 C LEU A 40 -7.977 -0.558 0.487 1.00 0.00 C ATOM 560 O LEU A 40 -8.462 -1.041 1.512 1.00 0.00 O ATOM 561 CB LEU A 40 -9.123 -2.136 -1.080 1.00 0.00 C ATOM 562 CG LEU A 40 -10.275 -1.271 -1.592 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.968 -0.741 -2.984 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.575 -2.061 -1.595 1.00 0.00 C ATOM 0 H LEU A 40 -6.887 -3.080 0.074 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.578 -0.737 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.917 -2.908 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.452 -2.644 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.391 -0.421 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.799 -0.128 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.061 -0.138 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.823 -1.577 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.384 -1.429 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.471 -2.931 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.803 -2.390 -0.581 1.00 0.00 H new ATOM 576 N LEU A 41 -7.570 0.703 0.405 1.00 0.00 N ATOM 577 CA LEU A 41 -7.670 1.615 1.539 1.00 0.00 C ATOM 578 C LEU A 41 -8.984 2.388 1.501 1.00 0.00 C ATOM 579 O LEU A 41 -9.501 2.701 0.429 1.00 0.00 O ATOM 580 CB LEU A 41 -6.492 2.590 1.541 1.00 0.00 C ATOM 581 CG LEU A 41 -6.543 3.704 2.588 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.876 3.255 3.878 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.883 4.967 2.055 1.00 0.00 C ATOM 0 H LEU A 41 -7.167 1.118 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.644 1.022 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.575 2.020 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.425 3.049 0.555 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.588 3.927 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.922 4.061 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.393 2.379 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.834 3.003 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.928 5.749 2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.841 4.758 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.406 5.300 1.158 1.00 0.00 H new ATOM 595 N ARG A 42 -9.519 2.695 2.679 1.00 0.00 N ATOM 596 CA ARG A 42 -10.772 3.432 2.780 1.00 0.00 C ATOM 597 C ARG A 42 -10.700 4.477 3.890 1.00 0.00 C ATOM 598 O ARG A 42 -10.608 4.138 5.071 1.00 0.00 O ATOM 599 CB ARG A 42 -11.934 2.472 3.043 1.00 0.00 C ATOM 600 CG ARG A 42 -12.428 1.758 1.796 1.00 0.00 C ATOM 601 CD ARG A 42 -13.525 0.757 2.125 1.00 0.00 C ATOM 602 NE ARG A 42 -14.847 1.377 2.131 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.559 1.602 1.032 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.078 1.259 -0.155 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.755 2.170 1.119 1.00 0.00 N ATOM 0 H ARG A 42 -9.104 2.444 3.576 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.940 3.944 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.622 1.729 3.777 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.761 3.028 3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.804 2.490 1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.596 1.243 1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.508 -0.053 1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.329 0.312 3.100 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.246 1.653 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.159 0.821 -0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.627 1.433 -0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.129 2.435 2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.300 2.342 0.274 1.00 0.00 H new ATOM 619 N PHE A 43 -10.743 5.748 3.504 1.00 0.00 N ATOM 620 CA PHE A 43 -10.681 6.842 4.466 1.00 0.00 C ATOM 621 C PHE A 43 -12.002 7.603 4.509 1.00 0.00 C ATOM 622 O PHE A 43 -12.444 8.160 3.505 1.00 0.00 O ATOM 623 CB PHE A 43 -9.540 7.797 4.110 1.00 0.00 C ATOM 624 CG PHE A 43 -9.613 8.322 2.705 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.055 7.609 1.656 1.00 0.00 C ATOM 626 CD2 PHE A 43 -10.239 9.528 2.433 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.121 8.088 0.361 1.00 0.00 C ATOM 628 CE2 PHE A 43 -10.308 10.012 1.140 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.747 9.292 0.103 1.00 0.00 C ATOM 0 H PHE A 43 -10.821 6.046 2.531 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.495 6.416 5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.551 8.637 4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.589 7.282 4.248 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.563 6.668 1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.678 10.096 3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.684 7.522 -0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.800 10.952 0.941 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.798 9.670 -0.908 1.00 0.00 H new ATOM 639 N GLY A 44 -12.630 7.622 5.681 1.00 0.00 N ATOM 640 CA GLY A 44 -13.895 8.317 5.835 1.00 0.00 C ATOM 641 C GLY A 44 -13.884 9.290 6.997 1.00 0.00 C ATOM 642 O GLY A 44 -13.021 9.216 7.871 1.00 0.00 O ATOM 0 H GLY A 44 -12.285 7.168 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.124 8.856 4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.691 7.587 5.983 1.00 0.00 H new ATOM 646 N VAL A 45 -14.847 10.207 7.007 1.00 0.00 N ATOM 647 CA VAL A 45 -14.945 11.200 8.070 1.00 0.00 C ATOM 648 C VAL A 45 -15.733 10.658 9.258 1.00 0.00 C ATOM 649 O VAL A 45 -16.947 10.465 9.193 1.00 0.00 O ATOM 650 CB VAL A 45 -15.616 12.493 7.570 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.769 13.490 8.709 1.00 0.00 C ATOM 652 CG2 VAL A 45 -14.820 13.098 6.424 1.00 0.00 C ATOM 0 H VAL A 45 -15.570 10.282 6.291 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.927 11.427 8.386 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.611 12.246 7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.245 14.397 8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.385 13.053 9.495 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.787 13.735 9.113 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.309 14.011 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.812 13.332 6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.768 12.385 5.601 1.00 0.00 H new ATOM 662 N PRO A 46 -15.027 10.406 10.370 1.00 0.00 N ATOM 663 CA PRO A 46 -15.640 9.883 11.595 1.00 0.00 C ATOM 664 C PRO A 46 -16.536 10.910 12.278 1.00 0.00 C ATOM 665 O PRO A 46 -16.058 11.922 12.790 1.00 0.00 O ATOM 666 CB PRO A 46 -14.437 9.550 12.480 1.00 0.00 C ATOM 667 CG PRO A 46 -13.351 10.448 11.996 1.00 0.00 C ATOM 668 CD PRO A 46 -13.577 10.612 10.518 1.00 0.00 C ATOM 0 HA PRO A 46 -16.288 9.029 11.394 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.658 9.728 13.532 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.155 8.501 12.386 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.385 11.411 12.505 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.370 10.017 12.195 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.274 11.600 10.172 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.007 9.884 9.941 1.00 0.00 H new ATOM 676 N SER A 47 -17.838 10.642 12.284 1.00 0.00 N ATOM 677 CA SER A 47 -18.802 11.545 12.902 1.00 0.00 C ATOM 678 C SER A 47 -19.401 10.922 14.160 1.00 0.00 C ATOM 679 O SER A 47 -19.801 9.758 14.177 1.00 0.00 O ATOM 680 CB SER A 47 -19.915 11.893 11.912 1.00 0.00 C ATOM 681 OG SER A 47 -20.729 10.765 11.642 1.00 0.00 O ATOM 0 H SER A 47 -18.250 9.807 11.868 1.00 0.00 H new ATOM 0 HA SER A 47 -18.278 12.458 13.184 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.527 12.699 12.317 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.478 12.261 10.984 1.00 0.00 H new ATOM 0 HG SER A 47 -21.434 11.014 11.008 1.00 0.00 H new ATOM 687 N PRO A 48 -19.464 11.716 15.239 1.00 0.00 N ATOM 688 CA PRO A 48 -20.013 11.265 16.522 1.00 0.00 C ATOM 689 C PRO A 48 -21.522 11.056 16.465 1.00 0.00 C ATOM 690 O PRO A 48 -22.191 11.536 15.550 1.00 0.00 O ATOM 691 CB PRO A 48 -19.667 12.409 17.478 1.00 0.00 C ATOM 692 CG PRO A 48 -19.547 13.610 16.603 1.00 0.00 C ATOM 693 CD PRO A 48 -19.006 13.114 15.291 1.00 0.00 C ATOM 0 HA PRO A 48 -19.604 10.301 16.824 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -20.443 12.544 18.231 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -18.736 12.212 18.011 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -20.515 14.093 16.468 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -18.880 14.350 17.045 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -19.391 13.694 14.453 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.919 13.182 15.253 1.00 0.00 H new ATOM 701 N SER A 49 -22.053 10.337 17.449 1.00 0.00 N ATOM 702 CA SER A 49 -23.484 10.062 17.509 1.00 0.00 C ATOM 703 C SER A 49 -24.203 11.106 18.359 1.00 0.00 C ATOM 704 O SER A 49 -25.339 10.901 18.787 1.00 0.00 O ATOM 705 CB SER A 49 -23.733 8.665 18.080 1.00 0.00 C ATOM 706 OG SER A 49 -23.023 8.475 19.291 1.00 0.00 O ATOM 0 H SER A 49 -21.514 9.934 18.216 1.00 0.00 H new ATOM 0 HA SER A 49 -23.880 10.108 16.495 1.00 0.00 H new ATOM 0 HB2 SER A 49 -24.800 8.525 18.254 1.00 0.00 H new ATOM 0 HB3 SER A 49 -23.427 7.912 17.354 1.00 0.00 H new ATOM 0 HG SER A 49 -23.200 7.575 19.636 1.00 0.00 H new ATOM 712 N THR A 50 -23.531 12.228 18.600 1.00 0.00 N ATOM 713 CA THR A 50 -24.103 13.304 19.399 1.00 0.00 C ATOM 714 C THR A 50 -24.427 14.518 18.536 1.00 0.00 C ATOM 715 O THR A 50 -25.370 15.258 18.816 1.00 0.00 O ATOM 716 CB THR A 50 -23.149 13.732 20.530 1.00 0.00 C ATOM 717 OG1 THR A 50 -22.648 12.577 21.212 1.00 0.00 O ATOM 718 CG2 THR A 50 -23.859 14.644 21.520 1.00 0.00 C ATOM 0 H THR A 50 -22.590 12.415 18.253 1.00 0.00 H new ATOM 0 HA THR A 50 -25.023 12.917 19.837 1.00 0.00 H new ATOM 0 HB THR A 50 -22.318 14.280 20.087 1.00 0.00 H new ATOM 0 HG1 THR A 50 -22.041 12.858 21.928 1.00 0.00 H new ATOM 0 HG21 THR A 50 -23.166 14.933 22.310 1.00 0.00 H new ATOM 0 HG22 THR A 50 -24.213 15.536 21.003 1.00 0.00 H new ATOM 0 HG23 THR A 50 -24.707 14.117 21.957 1.00 0.00 H new ATOM 726 N LEU A 51 -23.639 14.717 17.484 1.00 0.00 N ATOM 727 CA LEU A 51 -23.842 15.842 16.578 1.00 0.00 C ATOM 728 C LEU A 51 -24.739 15.444 15.410 1.00 0.00 C ATOM 729 O LEU A 51 -24.814 14.272 15.043 1.00 0.00 O ATOM 730 CB LEU A 51 -22.498 16.349 16.054 1.00 0.00 C ATOM 731 CG LEU A 51 -22.503 17.748 15.437 1.00 0.00 C ATOM 732 CD1 LEU A 51 -22.794 18.798 16.498 1.00 0.00 C ATOM 733 CD2 LEU A 51 -21.175 18.034 14.752 1.00 0.00 C ATOM 0 H LEU A 51 -22.854 14.114 17.238 1.00 0.00 H new ATOM 0 HA LEU A 51 -24.333 16.641 17.134 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.783 16.339 16.877 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -22.133 15.645 15.306 1.00 0.00 H new ATOM 0 HG LEU A 51 -23.292 17.790 14.687 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -22.794 19.787 16.041 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -23.770 18.605 16.943 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -22.027 18.756 17.272 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -21.197 19.034 14.319 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -20.368 17.973 15.482 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -21.007 17.301 13.963 1.00 0.00 H new ATOM 745 N GLU A 52 -25.416 16.430 14.828 1.00 0.00 N ATOM 746 CA GLU A 52 -26.307 16.182 13.700 1.00 0.00 C ATOM 747 C GLU A 52 -25.520 16.097 12.395 1.00 0.00 C ATOM 748 O GLU A 52 -24.490 16.747 12.218 1.00 0.00 O ATOM 749 CB GLU A 52 -27.361 17.287 13.602 1.00 0.00 C ATOM 750 CG GLU A 52 -26.778 18.662 13.321 1.00 0.00 C ATOM 751 CD GLU A 52 -27.842 19.690 12.989 1.00 0.00 C ATOM 752 OE1 GLU A 52 -28.193 19.816 11.798 1.00 0.00 O ATOM 753 OE2 GLU A 52 -28.322 20.368 13.921 1.00 0.00 O ATOM 0 H GLU A 52 -25.364 17.406 15.119 1.00 0.00 H new ATOM 0 HA GLU A 52 -26.806 15.228 13.866 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -28.068 17.033 12.813 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -27.924 17.324 14.535 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -26.213 18.997 14.191 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -26.075 18.592 12.491 1.00 0.00 H new ATOM 760 N PRO A 53 -26.017 15.275 11.459 1.00 0.00 N ATOM 761 CA PRO A 53 -25.378 15.084 10.153 1.00 0.00 C ATOM 762 C PRO A 53 -25.489 16.320 9.267 1.00 0.00 C ATOM 763 O PRO A 53 -26.366 17.161 9.465 1.00 0.00 O ATOM 764 CB PRO A 53 -26.158 13.917 9.543 1.00 0.00 C ATOM 765 CG PRO A 53 -27.491 13.965 10.207 1.00 0.00 C ATOM 766 CD PRO A 53 -27.241 14.469 11.602 1.00 0.00 C ATOM 0 HA PRO A 53 -24.308 14.897 10.247 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -26.250 14.024 8.462 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -25.658 12.966 9.728 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -28.171 14.626 9.669 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -27.953 12.978 10.226 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -28.075 15.067 11.969 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -27.102 13.649 12.307 1.00 0.00 H new ATOM 774 N HIS A 54 -24.594 16.425 8.290 1.00 0.00 N ATOM 775 CA HIS A 54 -24.592 17.558 7.373 1.00 0.00 C ATOM 776 C HIS A 54 -25.435 17.258 6.137 1.00 0.00 C ATOM 777 O HIS A 54 -25.462 16.136 5.632 1.00 0.00 O ATOM 778 CB HIS A 54 -23.162 17.903 6.957 1.00 0.00 C ATOM 779 CG HIS A 54 -22.361 18.549 8.046 1.00 0.00 C ATOM 780 ND1 HIS A 54 -22.495 19.877 8.392 1.00 0.00 N ATOM 781 CD2 HIS A 54 -21.414 18.041 8.868 1.00 0.00 C ATOM 782 CE1 HIS A 54 -21.663 20.158 9.379 1.00 0.00 C ATOM 783 NE2 HIS A 54 -20.996 19.061 9.687 1.00 0.00 N ATOM 0 H HIS A 54 -23.861 15.739 8.113 1.00 0.00 H new ATOM 0 HA HIS A 54 -25.028 18.413 7.890 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.656 16.992 6.636 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.194 18.570 6.096 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -21.054 17.023 8.878 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -21.548 21.121 9.853 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -20.286 18.984 10.415 1.00 0.00 H new ATOM 792 N PRO A 55 -26.141 18.284 5.638 1.00 0.00 N ATOM 793 CA PRO A 55 -26.998 18.154 4.456 1.00 0.00 C ATOM 794 C PRO A 55 -26.193 17.958 3.175 1.00 0.00 C ATOM 795 O PRO A 55 -26.759 17.753 2.101 1.00 0.00 O ATOM 796 CB PRO A 55 -27.750 19.487 4.415 1.00 0.00 C ATOM 797 CG PRO A 55 -26.859 20.447 5.125 1.00 0.00 C ATOM 798 CD PRO A 55 -26.156 19.649 6.189 1.00 0.00 C ATOM 0 HA PRO A 55 -27.650 17.282 4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -27.937 19.805 3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -28.720 19.410 4.906 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -26.143 20.897 4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -27.434 21.262 5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -25.147 20.021 6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -26.686 19.693 7.140 1.00 0.00 H new ATOM 806 N ARG A 56 -24.871 18.020 3.297 1.00 0.00 N ATOM 807 CA ARG A 56 -23.990 17.849 2.149 1.00 0.00 C ATOM 808 C ARG A 56 -23.320 16.479 2.177 1.00 0.00 C ATOM 809 O ARG A 56 -22.929 15.973 3.229 1.00 0.00 O ATOM 810 CB ARG A 56 -22.925 18.948 2.128 1.00 0.00 C ATOM 811 CG ARG A 56 -22.001 18.923 3.334 1.00 0.00 C ATOM 812 CD ARG A 56 -20.917 19.984 3.227 1.00 0.00 C ATOM 813 NE ARG A 56 -21.358 21.273 3.753 1.00 0.00 N ATOM 814 CZ ARG A 56 -21.379 21.569 5.048 1.00 0.00 C ATOM 815 NH1 ARG A 56 -20.985 20.674 5.943 1.00 0.00 N ATOM 816 NH2 ARG A 56 -21.794 22.764 5.450 1.00 0.00 N ATOM 0 H ARG A 56 -24.387 18.187 4.179 1.00 0.00 H new ATOM 0 HA ARG A 56 -24.595 17.921 1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -22.328 18.847 1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -23.418 19.919 2.078 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -22.582 19.085 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -21.541 17.939 3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -20.032 19.654 3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -20.625 20.099 2.183 1.00 0.00 H new ATOM 0 HE ARG A 56 -21.667 21.984 3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -20.664 19.755 5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -21.002 20.904 6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -22.097 23.456 4.764 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -21.810 22.990 6.444 1.00 0.00 H new ATOM 830 N PRO A 57 -23.184 15.862 0.993 1.00 0.00 N ATOM 831 CA PRO A 57 -22.562 14.541 0.855 1.00 0.00 C ATOM 832 C PRO A 57 -21.061 14.578 1.119 1.00 0.00 C ATOM 833 O PRO A 57 -20.440 15.641 1.089 1.00 0.00 O ATOM 834 CB PRO A 57 -22.840 14.169 -0.603 1.00 0.00 C ATOM 835 CG PRO A 57 -23.003 15.474 -1.303 1.00 0.00 C ATOM 836 CD PRO A 57 -23.627 16.406 -0.301 1.00 0.00 C ATOM 0 HA PRO A 57 -22.960 13.825 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -22.019 13.592 -1.028 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -23.738 13.558 -0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -22.041 15.856 -1.645 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -23.636 15.368 -2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -23.289 17.433 -0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -24.714 16.414 -0.382 1.00 0.00 H new ATOM 844 N LEU A 58 -20.482 13.410 1.377 1.00 0.00 N ATOM 845 CA LEU A 58 -19.052 13.308 1.645 1.00 0.00 C ATOM 846 C LEU A 58 -18.347 12.517 0.548 1.00 0.00 C ATOM 847 O LEU A 58 -18.451 11.291 0.487 1.00 0.00 O ATOM 848 CB LEU A 58 -18.814 12.643 3.002 1.00 0.00 C ATOM 849 CG LEU A 58 -19.503 13.297 4.200 1.00 0.00 C ATOM 850 CD1 LEU A 58 -19.100 12.604 5.492 1.00 0.00 C ATOM 851 CD2 LEU A 58 -19.170 14.781 4.263 1.00 0.00 C ATOM 0 H LEU A 58 -20.981 12.521 1.406 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.638 14.316 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.145 11.606 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.741 12.624 3.191 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.581 13.192 4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -19.600 13.083 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -19.390 11.554 5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -18.020 12.677 5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -19.669 15.230 5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.092 14.908 4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.510 15.269 3.350 1.00 0.00 H new ATOM 863 N LEU A 59 -17.627 13.226 -0.315 1.00 0.00 N ATOM 864 CA LEU A 59 -16.902 12.590 -1.410 1.00 0.00 C ATOM 865 C LEU A 59 -15.843 11.630 -0.877 1.00 0.00 C ATOM 866 O LEU A 59 -14.748 12.046 -0.502 1.00 0.00 O ATOM 867 CB LEU A 59 -16.246 13.650 -2.297 1.00 0.00 C ATOM 868 CG LEU A 59 -15.913 13.217 -3.725 1.00 0.00 C ATOM 869 CD1 LEU A 59 -17.147 13.304 -4.610 1.00 0.00 C ATOM 870 CD2 LEU A 59 -14.787 14.069 -4.291 1.00 0.00 C ATOM 0 H LEU A 59 -17.530 14.241 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 59 -17.617 12.020 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.908 14.515 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -15.326 13.980 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 59 -15.580 12.179 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -16.891 12.992 -5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -17.925 12.651 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.510 14.332 -4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.563 13.747 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.092 15.115 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.898 13.956 -3.671 1.00 0.00 H new ATOM 882 N GLN A 60 -16.178 10.344 -0.848 1.00 0.00 N ATOM 883 CA GLN A 60 -15.255 9.325 -0.362 1.00 0.00 C ATOM 884 C GLN A 60 -14.735 8.469 -1.511 1.00 0.00 C ATOM 885 O GLN A 60 -15.411 8.299 -2.527 1.00 0.00 O ATOM 886 CB GLN A 60 -15.942 8.440 0.680 1.00 0.00 C ATOM 887 CG GLN A 60 -15.174 7.167 0.998 1.00 0.00 C ATOM 888 CD GLN A 60 -15.537 6.589 2.351 1.00 0.00 C ATOM 889 OE1 GLN A 60 -16.365 7.144 3.074 1.00 0.00 O ATOM 890 NE2 GLN A 60 -14.918 5.468 2.702 1.00 0.00 N ATOM 0 H GLN A 60 -17.081 9.983 -1.155 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.408 9.830 0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -16.077 9.012 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -16.936 8.175 0.321 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -15.373 6.425 0.225 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.105 7.376 0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.239 5.042 2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.122 5.033 3.602 1.00 0.00 H new ATOM 899 N ARG A 61 -13.531 7.932 -1.345 1.00 0.00 N ATOM 900 CA ARG A 61 -12.920 7.095 -2.370 1.00 0.00 C ATOM 901 C ARG A 61 -11.956 6.089 -1.747 1.00 0.00 C ATOM 902 O ARG A 61 -11.749 6.084 -0.534 1.00 0.00 O ATOM 903 CB ARG A 61 -12.180 7.960 -3.392 1.00 0.00 C ATOM 904 CG ARG A 61 -10.714 8.182 -3.055 1.00 0.00 C ATOM 905 CD ARG A 61 -10.208 9.504 -3.609 1.00 0.00 C ATOM 906 NE ARG A 61 -9.804 9.393 -5.008 1.00 0.00 N ATOM 907 CZ ARG A 61 -8.709 8.755 -5.408 1.00 0.00 C ATOM 908 NH1 ARG A 61 -7.914 8.175 -4.520 1.00 0.00 N ATOM 909 NH2 ARG A 61 -8.408 8.697 -6.699 1.00 0.00 N ATOM 0 H ARG A 61 -12.959 8.062 -0.510 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.715 6.547 -2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.251 7.490 -4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.678 8.927 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.582 8.165 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.119 7.364 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.989 10.259 -3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.362 9.846 -3.013 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.394 9.829 -5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.142 8.218 -3.527 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.074 7.686 -4.830 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.017 9.142 -7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.567 8.207 -7.005 1.00 0.00 H new ATOM 923 N GLU A 62 -11.372 5.239 -2.586 1.00 0.00 N ATOM 924 CA GLU A 62 -10.432 4.228 -2.116 1.00 0.00 C ATOM 925 C GLU A 62 -9.206 4.162 -3.023 1.00 0.00 C ATOM 926 O GLU A 62 -9.280 4.481 -4.210 1.00 0.00 O ATOM 927 CB GLU A 62 -11.110 2.858 -2.056 1.00 0.00 C ATOM 928 CG GLU A 62 -12.479 2.885 -1.398 1.00 0.00 C ATOM 929 CD GLU A 62 -13.592 3.197 -2.379 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.521 2.718 -3.530 1.00 0.00 O ATOM 931 OE2 GLU A 62 -14.535 3.920 -1.996 1.00 0.00 O ATOM 0 H GLU A 62 -11.533 5.230 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.107 4.508 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.210 2.467 -3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.467 2.167 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.672 1.920 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.481 3.631 -0.603 1.00 0.00 H new ATOM 938 N LEU A 63 -8.080 3.745 -2.455 1.00 0.00 N ATOM 939 CA LEU A 63 -6.836 3.637 -3.211 1.00 0.00 C ATOM 940 C LEU A 63 -6.539 2.183 -3.563 1.00 0.00 C ATOM 941 O LEU A 63 -6.860 1.271 -2.802 1.00 0.00 O ATOM 942 CB LEU A 63 -5.676 4.227 -2.408 1.00 0.00 C ATOM 943 CG LEU A 63 -4.272 3.830 -2.867 1.00 0.00 C ATOM 944 CD1 LEU A 63 -3.793 4.752 -3.978 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.301 3.855 -1.696 1.00 0.00 C ATOM 0 H LEU A 63 -8.002 3.476 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.951 4.200 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.753 5.314 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.794 3.930 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.313 2.813 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.792 4.454 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.474 4.684 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.768 5.779 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.307 3.570 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.264 4.860 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.635 3.153 -0.932 1.00 0.00 H new ATOM 957 N MET A 64 -5.921 1.975 -4.721 1.00 0.00 N ATOM 958 CA MET A 64 -5.576 0.632 -5.173 1.00 0.00 C ATOM 959 C MET A 64 -4.066 0.478 -5.319 1.00 0.00 C ATOM 960 O MET A 64 -3.450 1.095 -6.189 1.00 0.00 O ATOM 961 CB MET A 64 -6.263 0.327 -6.506 1.00 0.00 C ATOM 962 CG MET A 64 -6.396 -1.159 -6.795 1.00 0.00 C ATOM 963 SD MET A 64 -7.824 -1.541 -7.827 1.00 0.00 S ATOM 964 CE MET A 64 -9.099 -1.731 -6.583 1.00 0.00 C ATOM 0 H MET A 64 -5.649 2.719 -5.363 1.00 0.00 H new ATOM 0 HA MET A 64 -5.924 -0.077 -4.422 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.255 0.779 -6.506 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.699 0.796 -7.312 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.491 -1.511 -7.289 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.477 -1.702 -5.854 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.046 -1.970 -7.066 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.825 -2.537 -5.902 1.00 0.00 H new ATOM 0 HE3 MET A 64 -9.202 -0.802 -6.023 1.00 0.00 H new ATOM 974 N VAL A 65 -3.474 -0.347 -4.462 1.00 0.00 N ATOM 975 CA VAL A 65 -2.035 -0.582 -4.497 1.00 0.00 C ATOM 976 C VAL A 65 -1.718 -2.069 -4.379 1.00 0.00 C ATOM 977 O VAL A 65 -2.303 -2.792 -3.572 1.00 0.00 O ATOM 978 CB VAL A 65 -1.315 0.176 -3.366 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.094 0.558 -3.793 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.111 1.407 -2.960 1.00 0.00 C ATOM 0 H VAL A 65 -3.968 -0.864 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.677 -0.212 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.240 -0.482 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.588 1.093 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.659 -0.343 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.046 1.199 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.588 1.931 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.218 2.070 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.098 1.103 -2.610 1.00 0.00 H new ATOM 990 N PRO A 66 -0.769 -2.539 -5.203 1.00 0.00 N ATOM 991 CA PRO A 66 -0.351 -3.944 -5.209 1.00 0.00 C ATOM 992 C PRO A 66 0.415 -4.327 -3.948 1.00 0.00 C ATOM 993 O PRO A 66 1.066 -3.488 -3.327 1.00 0.00 O ATOM 994 CB PRO A 66 0.558 -4.038 -6.437 1.00 0.00 C ATOM 995 CG PRO A 66 1.073 -2.654 -6.634 1.00 0.00 C ATOM 996 CD PRO A 66 -0.030 -1.734 -6.190 1.00 0.00 C ATOM 0 HA PRO A 66 -1.203 -4.623 -5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.372 -4.744 -6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.007 -4.384 -7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.978 -2.488 -6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.331 -2.479 -7.678 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.364 -0.819 -5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.666 -1.437 -7.024 1.00 0.00 H new ATOM 1004 N GLY A 67 0.334 -5.600 -3.575 1.00 0.00 N ATOM 1005 CA GLY A 67 1.026 -6.072 -2.390 1.00 0.00 C ATOM 1006 C GLY A 67 2.470 -5.613 -2.340 1.00 0.00 C ATOM 1007 O GLY A 67 2.965 -5.208 -1.288 1.00 0.00 O ATOM 0 H GLY A 67 -0.199 -6.313 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.504 -5.716 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.993 -7.161 -2.364 1.00 0.00 H new ATOM 1011 N THR A 68 3.149 -5.677 -3.481 1.00 0.00 N ATOM 1012 CA THR A 68 4.545 -5.268 -3.563 1.00 0.00 C ATOM 1013 C THR A 68 4.725 -3.829 -3.091 1.00 0.00 C ATOM 1014 O THR A 68 5.799 -3.449 -2.625 1.00 0.00 O ATOM 1015 CB THR A 68 5.085 -5.396 -5.000 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.403 -4.842 -5.080 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.170 -4.687 -5.987 1.00 0.00 C ATOM 0 H THR A 68 2.754 -6.008 -4.361 1.00 0.00 H new ATOM 0 HA THR A 68 5.108 -5.935 -2.910 1.00 0.00 H new ATOM 0 HB THR A 68 5.121 -6.454 -5.258 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.739 -4.929 -5.996 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.572 -4.791 -6.995 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.176 -5.131 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.106 -3.630 -5.729 1.00 0.00 H new ATOM 1025 N ARG A 69 3.668 -3.034 -3.215 1.00 0.00 N ATOM 1026 CA ARG A 69 3.710 -1.637 -2.802 1.00 0.00 C ATOM 1027 C ARG A 69 2.835 -1.407 -1.573 1.00 0.00 C ATOM 1028 O ARG A 69 1.646 -1.727 -1.576 1.00 0.00 O ATOM 1029 CB ARG A 69 3.250 -0.730 -3.945 1.00 0.00 C ATOM 1030 CG ARG A 69 4.390 -0.209 -4.805 1.00 0.00 C ATOM 1031 CD ARG A 69 3.876 0.637 -5.959 1.00 0.00 C ATOM 1032 NE ARG A 69 3.530 -0.177 -7.122 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.411 -0.561 -8.038 1.00 0.00 C ATOM 1034 NH1 ARG A 69 5.684 -0.208 -7.928 1.00 0.00 N ATOM 1035 NH2 ARG A 69 4.020 -1.301 -9.068 1.00 0.00 N ATOM 0 H ARG A 69 2.772 -3.334 -3.598 1.00 0.00 H new ATOM 0 HA ARG A 69 4.740 -1.392 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.552 -1.280 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.704 0.116 -3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.068 0.384 -4.192 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.965 -1.048 -5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.999 1.198 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.635 1.367 -6.240 1.00 0.00 H new ATOM 0 HE ARG A 69 2.559 -0.466 -7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.989 0.360 -7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.358 -0.505 -8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.042 -1.575 -9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.698 -1.595 -9.771 1.00 0.00 H new ATOM 1049 N HIS A 70 3.432 -0.851 -0.524 1.00 0.00 N ATOM 1050 CA HIS A 70 2.707 -0.578 0.712 1.00 0.00 C ATOM 1051 C HIS A 70 2.672 0.920 1.002 1.00 0.00 C ATOM 1052 O HIS A 70 3.282 1.391 1.962 1.00 0.00 O ATOM 1053 CB HIS A 70 3.353 -1.320 1.882 1.00 0.00 C ATOM 1054 CG HIS A 70 3.738 -2.731 1.557 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.967 -3.073 1.033 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.049 -3.889 1.685 1.00 0.00 C ATOM 1057 CE1 HIS A 70 5.016 -4.381 0.852 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.865 -4.899 1.240 1.00 0.00 N ATOM 0 H HIS A 70 4.415 -0.581 -0.505 1.00 0.00 H new ATOM 0 HA HIS A 70 1.683 -0.931 0.589 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.241 -0.774 2.202 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.661 -1.326 2.724 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.720 -2.419 0.819 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.044 -3.998 2.066 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.855 -4.933 0.454 1.00 0.00 H new ATOM 1067 N SER A 71 1.955 1.663 0.165 1.00 0.00 N ATOM 1068 CA SER A 71 1.844 3.108 0.329 1.00 0.00 C ATOM 1069 C SER A 71 0.432 3.585 0.004 1.00 0.00 C ATOM 1070 O SER A 71 -0.290 2.946 -0.761 1.00 0.00 O ATOM 1071 CB SER A 71 2.856 3.823 -0.568 1.00 0.00 C ATOM 1072 OG SER A 71 2.422 5.135 -0.882 1.00 0.00 O ATOM 0 H SER A 71 1.442 1.288 -0.633 1.00 0.00 H new ATOM 0 HA SER A 71 2.059 3.349 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.823 3.867 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.998 3.254 -1.487 1.00 0.00 H new ATOM 0 HG SER A 71 3.087 5.571 -1.455 1.00 0.00 H new ATOM 1078 N ALA A 72 0.045 4.713 0.591 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.279 5.278 0.363 1.00 0.00 C ATOM 1080 C ALA A 72 -1.313 6.759 0.722 1.00 0.00 C ATOM 1081 O ALA A 72 -1.018 7.141 1.855 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.323 4.514 1.163 1.00 0.00 C ATOM 0 H ALA A 72 0.630 5.253 1.228 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.510 5.184 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.307 4.947 0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.324 3.469 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.087 4.579 2.225 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.673 7.591 -0.250 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.746 9.032 -0.036 1.00 0.00 C ATOM 1090 C VAL A 73 -3.146 9.561 -0.329 1.00 0.00 C ATOM 1091 O VAL A 73 -3.644 9.443 -1.450 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.730 9.782 -0.917 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.895 11.286 -0.760 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.689 9.354 -0.576 1.00 0.00 C ATOM 0 H VAL A 73 -1.919 7.292 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.506 9.209 1.012 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.921 9.527 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.169 11.799 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.903 11.575 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.732 11.563 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.394 9.894 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.895 9.578 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.797 8.283 -0.746 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.776 10.145 0.684 1.00 0.00 N ATOM 1105 CA LEU A 74 -5.119 10.694 0.535 1.00 0.00 C ATOM 1106 C LEU A 74 -5.078 12.216 0.444 1.00 0.00 C ATOM 1107 O LEU A 74 -4.462 12.881 1.276 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.999 10.265 1.710 1.00 0.00 C ATOM 1109 CG LEU A 74 -6.121 8.759 1.944 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.128 8.012 0.619 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.989 8.264 2.832 1.00 0.00 C ATOM 0 H LEU A 74 -3.378 10.251 1.617 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.544 10.305 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.606 10.723 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.999 10.670 1.556 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.066 8.565 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.215 6.942 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.973 8.346 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.200 8.212 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.092 7.190 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.033 8.471 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.030 8.776 3.793 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.741 12.760 -0.571 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.781 14.204 -0.771 1.00 0.00 C ATOM 1125 C ARG A 75 -7.187 14.747 -0.530 1.00 0.00 C ATOM 1126 O ARG A 75 -8.127 13.985 -0.305 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.322 14.558 -2.186 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.847 14.286 -2.434 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.457 14.591 -3.871 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.688 13.452 -4.755 1.00 0.00 N ATOM 1131 CZ ARG A 75 -2.990 12.323 -4.696 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.023 12.184 -3.800 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -3.260 11.330 -5.534 1.00 0.00 N ATOM 0 H ARG A 75 -6.258 12.223 -1.268 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.104 14.664 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.913 13.989 -2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.524 15.613 -2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.246 14.892 -1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.626 13.242 -2.210 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.028 15.448 -4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.404 14.872 -3.909 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.425 13.527 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.813 12.945 -3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.489 11.316 -3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.004 11.433 -6.224 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.724 10.464 -5.488 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.322 16.067 -0.580 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.612 16.713 -0.368 1.00 0.00 C ATOM 1149 C ASP A 76 -9.128 16.446 1.043 1.00 0.00 C ATOM 1150 O ASP A 76 -10.298 16.112 1.235 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.629 16.218 -1.398 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.110 16.320 -2.819 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -7.904 16.074 -3.029 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -9.910 16.645 -3.721 1.00 0.00 O ATOM 0 H ASP A 76 -6.553 16.711 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.477 17.788 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.886 15.181 -1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.547 16.799 -1.307 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.248 16.595 2.027 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.614 16.369 3.421 1.00 0.00 C ATOM 1161 C LEU A 77 -8.843 17.692 4.144 1.00 0.00 C ATOM 1162 O LEU A 77 -8.561 18.762 3.606 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.521 15.568 4.132 1.00 0.00 C ATOM 1164 CG LEU A 77 -7.111 14.255 3.466 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -6.144 13.486 4.352 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.337 13.409 3.152 1.00 0.00 C ATOM 0 H LEU A 77 -7.276 16.871 1.886 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.543 15.800 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.636 16.199 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.860 15.348 5.144 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.606 14.489 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.863 12.554 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.252 14.088 4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.623 13.264 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.025 12.478 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.871 13.185 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.994 13.957 2.477 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.355 17.610 5.368 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.621 18.801 6.166 1.00 0.00 C ATOM 1180 C ARG A 78 -8.363 19.256 6.899 1.00 0.00 C ATOM 1181 O ARG A 78 -7.341 18.570 6.886 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.739 18.526 7.173 1.00 0.00 C ATOM 1183 CG ARG A 78 -12.122 18.460 6.545 1.00 0.00 C ATOM 1184 CD ARG A 78 -13.208 18.332 7.601 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.062 17.112 8.391 1.00 0.00 N ATOM 1186 CZ ARG A 78 -13.996 16.657 9.219 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -15.137 17.316 9.364 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -13.790 15.539 9.903 1.00 0.00 N ATOM 0 H ARG A 78 -9.594 16.732 5.828 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.936 19.597 5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.535 17.584 7.681 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.731 19.307 7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.296 19.357 5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.173 17.610 5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.175 19.198 8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.185 18.337 7.118 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.196 16.581 8.302 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.300 18.175 8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.852 16.964 10.001 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.914 15.028 9.793 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.508 15.190 10.539 1.00 0.00 H new ATOM 1202 N SER A 79 -8.444 20.419 7.538 1.00 0.00 N ATOM 1203 CA SER A 79 -7.311 20.969 8.273 1.00 0.00 C ATOM 1204 C SER A 79 -7.351 20.536 9.735 1.00 0.00 C ATOM 1205 O SER A 79 -8.391 20.609 10.388 1.00 0.00 O ATOM 1206 CB SER A 79 -7.309 22.496 8.181 1.00 0.00 C ATOM 1207 OG SER A 79 -8.572 23.030 8.539 1.00 0.00 O ATOM 0 H SER A 79 -9.283 20.999 7.561 1.00 0.00 H new ATOM 0 HA SER A 79 -6.396 20.584 7.823 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.540 22.902 8.838 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.056 22.802 7.166 1.00 0.00 H new ATOM 0 HG SER A 79 -8.544 24.007 8.474 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.208 20.084 10.243 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.132 19.646 11.625 1.00 0.00 C ATOM 1215 C GLY A 80 -7.335 18.821 12.038 1.00 0.00 C ATOM 1216 O GLY A 80 -8.020 19.150 13.007 1.00 0.00 O ATOM 0 H GLY A 80 -5.334 20.013 9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.226 19.058 11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.052 20.517 12.275 1.00 0.00 H new ATOM 1220 N THR A 81 -7.595 17.746 11.301 1.00 0.00 N ATOM 1221 CA THR A 81 -8.725 16.873 11.594 1.00 0.00 C ATOM 1222 C THR A 81 -8.289 15.415 11.667 1.00 0.00 C ATOM 1223 O THR A 81 -7.357 14.999 10.977 1.00 0.00 O ATOM 1224 CB THR A 81 -9.833 17.014 10.533 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.057 18.397 10.239 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.128 16.378 11.016 1.00 0.00 C ATOM 0 H THR A 81 -7.038 17.459 10.496 1.00 0.00 H new ATOM 0 HA THR A 81 -9.119 17.180 12.563 1.00 0.00 H new ATOM 0 HB THR A 81 -9.508 16.499 9.629 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.236 18.905 10.409 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.896 16.490 10.251 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.962 15.319 11.212 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.455 16.869 11.932 1.00 0.00 H new ATOM 1234 N LEU A 82 -8.969 14.640 12.505 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.652 13.225 12.667 1.00 0.00 C ATOM 1236 C LEU A 82 -9.453 12.372 11.689 1.00 0.00 C ATOM 1237 O LEU A 82 -10.684 12.356 11.727 1.00 0.00 O ATOM 1238 CB LEU A 82 -8.937 12.780 14.102 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.380 11.414 14.504 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.844 10.341 13.532 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.860 11.456 14.569 1.00 0.00 C ATOM 0 H LEU A 82 -9.743 14.967 13.083 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.592 13.089 12.455 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.531 13.530 14.781 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.017 12.768 14.250 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.760 11.166 15.495 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.438 9.376 13.834 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.933 10.293 13.535 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.495 10.583 12.528 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.481 10.475 14.857 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.461 11.727 13.591 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.548 12.196 15.306 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.748 11.663 10.815 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.393 10.807 9.826 1.00 0.00 C ATOM 1255 C TYR A 83 -9.231 9.335 10.191 1.00 0.00 C ATOM 1256 O TYR A 83 -8.228 8.938 10.784 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.808 11.067 8.437 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.493 12.191 7.692 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.236 13.519 8.009 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.397 11.924 6.671 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.860 14.549 7.331 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -11.025 12.948 5.987 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.753 14.258 6.321 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.376 15.281 5.643 1.00 0.00 O ATOM 0 H TYR A 83 -7.729 11.664 10.771 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.457 11.045 9.815 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.748 11.301 8.536 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.879 10.154 7.845 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.537 13.750 8.799 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.613 10.899 6.407 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.650 15.576 7.591 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.725 12.723 5.196 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.973 14.906 4.962 1.00 0.00 H new ATOM 1274 N SER A 84 -10.225 8.530 9.831 1.00 0.00 N ATOM 1275 CA SER A 84 -10.196 7.101 10.123 1.00 0.00 C ATOM 1276 C SER A 84 -9.899 6.296 8.862 1.00 0.00 C ATOM 1277 O SER A 84 -10.747 6.169 7.978 1.00 0.00 O ATOM 1278 CB SER A 84 -11.530 6.655 10.725 1.00 0.00 C ATOM 1279 OG SER A 84 -11.534 5.260 10.977 1.00 0.00 O ATOM 0 H SER A 84 -11.061 8.842 9.337 1.00 0.00 H new ATOM 0 HA SER A 84 -9.401 6.918 10.846 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.713 7.196 11.653 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.343 6.907 10.044 1.00 0.00 H new ATOM 0 HG SER A 84 -12.396 5.000 11.363 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.689 5.752 8.786 1.00 0.00 N ATOM 1286 CA LEU A 85 -8.279 4.957 7.634 1.00 0.00 C ATOM 1287 C LEU A 85 -8.391 3.466 7.933 1.00 0.00 C ATOM 1288 O LEU A 85 -8.226 3.036 9.075 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.842 5.302 7.238 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.407 6.748 7.482 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.893 6.839 7.586 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.924 7.655 6.375 1.00 0.00 C ATOM 0 H LEU A 85 -7.975 5.847 9.508 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.946 5.193 6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.168 4.644 7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.715 5.079 6.179 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.836 7.082 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.602 7.875 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.547 6.221 8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.443 6.486 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.605 8.680 6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.525 7.323 5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.013 7.613 6.349 1.00 0.00 H new ATOM 1304 N THR A 86 -8.672 2.679 6.899 1.00 0.00 N ATOM 1305 CA THR A 86 -8.805 1.236 7.050 1.00 0.00 C ATOM 1306 C THR A 86 -8.296 0.504 5.813 1.00 0.00 C ATOM 1307 O THR A 86 -8.945 0.507 4.766 1.00 0.00 O ATOM 1308 CB THR A 86 -10.269 0.831 7.305 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.769 1.507 8.464 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.388 -0.673 7.499 1.00 0.00 C ATOM 0 H THR A 86 -8.812 3.018 5.947 1.00 0.00 H new ATOM 0 HA THR A 86 -8.201 0.952 7.912 1.00 0.00 H new ATOM 0 HB THR A 86 -10.859 1.117 6.435 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.701 1.246 8.619 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.431 -0.935 7.678 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.033 -1.184 6.604 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.785 -0.978 8.354 1.00 0.00 H new ATOM 1318 N LEU A 87 -7.132 -0.123 5.940 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.535 -0.861 4.832 1.00 0.00 C ATOM 1320 C LEU A 87 -7.081 -2.283 4.768 1.00 0.00 C ATOM 1321 O LEU A 87 -7.434 -2.870 5.792 1.00 0.00 O ATOM 1322 CB LEU A 87 -5.012 -0.892 4.976 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.230 -1.319 3.733 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.037 -0.140 2.792 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.886 -1.914 4.128 1.00 0.00 C ATOM 0 H LEU A 87 -6.582 -0.135 6.799 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.795 -0.350 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.674 0.102 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.758 -1.569 5.791 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.805 -2.084 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.479 -0.463 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.010 0.242 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.484 0.647 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.343 -2.213 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.305 -1.170 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.046 -2.786 4.762 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.145 -2.834 3.561 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.648 -4.188 3.364 1.00 0.00 C ATOM 1339 C TYR A 88 -6.688 -5.005 2.504 1.00 0.00 C ATOM 1340 O TYR A 88 -6.368 -4.626 1.379 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.030 -4.151 2.711 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.120 -3.645 3.628 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.641 -4.452 4.632 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.629 -2.359 3.492 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.637 -3.994 5.472 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.624 -1.892 4.329 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.125 -2.713 5.317 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.117 -2.252 6.152 1.00 0.00 O ATOM 0 H TYR A 88 -6.855 -2.363 2.704 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.728 -4.665 4.341 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.987 -3.516 1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.289 -5.154 2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.260 -5.455 4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.240 -1.713 2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.032 -4.635 6.246 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.007 -0.889 4.210 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.347 -1.331 5.910 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.234 -6.132 3.044 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.316 -6.987 2.314 1.00 0.00 C ATOM 1360 C GLY A 89 -6.034 -7.997 1.442 1.00 0.00 C ATOM 1361 O GLY A 89 -6.376 -9.090 1.897 1.00 0.00 O ATOM 0 H GLY A 89 -6.485 -6.468 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.667 -6.371 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.674 -7.513 3.021 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.266 -7.634 0.186 1.00 0.00 N ATOM 1366 CA LEU A 90 -6.950 -8.516 -0.753 1.00 0.00 C ATOM 1367 C LEU A 90 -6.063 -9.695 -1.138 1.00 0.00 C ATOM 1368 O LEU A 90 -5.066 -9.531 -1.841 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.360 -7.741 -2.006 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.665 -6.950 -1.910 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.841 -7.887 -1.677 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.579 -5.913 -0.799 1.00 0.00 C ATOM 0 H LEU A 90 -5.990 -6.734 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.844 -8.902 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.557 -7.049 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.446 -8.446 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.823 -6.430 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.761 -7.307 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.915 -8.591 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.691 -8.435 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.516 -5.359 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.398 -6.413 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.761 -5.223 -1.008 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.433 -10.884 -0.673 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.671 -12.091 -0.970 1.00 0.00 C ATOM 1386 C ARG A 91 -6.213 -12.784 -2.216 1.00 0.00 C ATOM 1387 O ARG A 91 -5.822 -13.906 -2.536 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.713 -13.052 0.220 1.00 0.00 C ATOM 1389 CG ARG A 91 -4.657 -14.143 0.160 1.00 0.00 C ATOM 1390 CD ARG A 91 -4.266 -14.618 1.551 1.00 0.00 C ATOM 1391 NE ARG A 91 -3.193 -15.607 1.511 1.00 0.00 N ATOM 1392 CZ ARG A 91 -3.378 -16.878 1.172 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -4.587 -17.312 0.846 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -2.351 -17.718 1.159 1.00 0.00 N ATOM 0 H ARG A 91 -7.255 -11.037 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.637 -11.800 -1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.583 -12.483 1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.699 -13.515 0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.035 -14.985 -0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.775 -13.769 -0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.949 -13.764 2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.137 -15.048 2.045 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.250 -15.306 1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.379 -16.669 0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.725 -18.289 0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.419 -17.388 1.409 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.494 -18.694 0.899 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.117 -12.107 -2.918 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.699 -12.673 -4.121 1.00 0.00 C ATOM 1410 C GLY A 92 -9.134 -12.234 -4.333 1.00 0.00 C ATOM 1411 O GLY A 92 -9.408 -11.097 -4.719 1.00 0.00 O ATOM 0 H GLY A 92 -7.457 -11.176 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.101 -12.378 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.660 -13.761 -4.063 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.081 -13.149 -4.078 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.512 -12.874 -4.238 1.00 0.00 C ATOM 1417 C PRO A 93 -12.035 -11.898 -3.189 1.00 0.00 C ATOM 1418 O PRO A 93 -12.673 -10.899 -3.520 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.160 -14.249 -4.060 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.194 -15.018 -3.227 1.00 0.00 C ATOM 1421 CD PRO A 93 -9.828 -14.524 -3.615 1.00 0.00 C ATOM 0 HA PRO A 93 -11.732 -12.405 -5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.130 -14.169 -3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.328 -14.735 -5.021 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.380 -14.857 -2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.288 -16.089 -3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.139 -14.543 -2.771 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.387 -15.138 -4.400 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.760 -12.195 -1.922 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.202 -11.343 -0.824 1.00 0.00 C ATOM 1431 C HIS A 94 -11.025 -10.939 0.058 1.00 0.00 C ATOM 1432 O HIS A 94 -9.988 -11.602 0.069 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.260 -12.062 0.013 1.00 0.00 C ATOM 1434 CG HIS A 94 -12.709 -13.182 0.841 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -13.365 -13.701 1.937 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -11.558 -13.884 0.726 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -12.640 -14.672 2.462 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -11.538 -14.804 1.745 1.00 0.00 N ATOM 0 H HIS A 94 -11.234 -13.019 -1.631 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.639 -10.440 -1.250 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.744 -11.340 0.670 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.030 -12.456 -0.650 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.797 -13.746 -0.027 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.903 -15.258 3.330 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.794 -15.479 1.920 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.193 -9.848 0.797 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.145 -9.356 1.684 1.00 0.00 C ATOM 1449 C LYS A 95 -9.775 -10.407 2.725 1.00 0.00 C ATOM 1450 O LYS A 95 -10.620 -11.189 3.160 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.601 -8.071 2.381 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.139 -7.019 1.427 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.167 -6.128 2.102 1.00 0.00 C ATOM 1454 CE LYS A 95 -12.268 -4.774 1.416 1.00 0.00 C ATOM 1455 NZ LYS A 95 -13.215 -3.865 2.119 1.00 0.00 N ATOM 0 H LYS A 95 -12.045 -9.287 0.800 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.263 -9.142 1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.373 -8.317 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.762 -7.651 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.316 -6.409 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.590 -7.507 0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.141 -6.618 2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.897 -5.987 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.282 -4.312 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.595 -4.913 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.734 -3.296 1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.889 -4.429 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.685 -3.234 2.753 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.506 -10.420 3.121 1.00 0.00 N ATOM 1470 CA ALA A 96 -8.025 -11.373 4.113 1.00 0.00 C ATOM 1471 C ALA A 96 -7.729 -10.682 5.440 1.00 0.00 C ATOM 1472 O ALA A 96 -8.200 -11.111 6.493 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.785 -12.089 3.600 1.00 0.00 C ATOM 0 H ALA A 96 -7.793 -9.781 2.770 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.811 -12.109 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.437 -12.798 4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.027 -12.624 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.001 -11.359 3.399 1.00 0.00 H new ATOM 1479 N ASP A 97 -6.945 -9.611 5.382 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.585 -8.860 6.579 1.00 0.00 C ATOM 1481 C ASP A 97 -7.065 -7.416 6.479 1.00 0.00 C ATOM 1482 O ASP A 97 -7.423 -6.944 5.400 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.071 -8.894 6.793 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.674 -8.458 8.189 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -5.107 -9.111 9.162 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -3.929 -7.463 8.310 1.00 0.00 O ATOM 0 H ASP A 97 -6.546 -9.243 4.518 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.075 -9.328 7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.704 -9.905 6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.589 -8.245 6.062 1.00 0.00 H new ATOM 1491 N SER A 98 -7.070 -6.719 7.611 1.00 0.00 N ATOM 1492 CA SER A 98 -7.511 -5.330 7.652 1.00 0.00 C ATOM 1493 C SER A 98 -6.951 -4.618 8.879 1.00 0.00 C ATOM 1494 O SER A 98 -7.131 -5.073 10.010 1.00 0.00 O ATOM 1495 CB SER A 98 -9.039 -5.257 7.659 1.00 0.00 C ATOM 1496 OG SER A 98 -9.582 -6.036 8.711 1.00 0.00 O ATOM 0 H SER A 98 -6.773 -7.094 8.512 1.00 0.00 H new ATOM 0 HA SER A 98 -7.135 -4.829 6.760 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.356 -4.220 7.769 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.427 -5.609 6.703 1.00 0.00 H new ATOM 0 HG SER A 98 -8.935 -6.090 9.445 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.271 -3.500 8.649 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.686 -2.724 9.735 1.00 0.00 C ATOM 1504 C ILE A 99 -6.318 -1.340 9.825 1.00 0.00 C ATOM 1505 O ILE A 99 -6.747 -0.777 8.819 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.163 -2.571 9.560 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.523 -2.099 10.867 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.855 -1.598 8.432 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.058 -2.456 10.985 1.00 0.00 C ATOM 0 H ILE A 99 -6.112 -3.111 7.720 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.885 -3.271 10.657 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.742 -3.543 9.301 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.633 -1.017 10.946 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.064 -2.537 11.706 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.775 -1.500 8.320 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.284 -1.972 7.502 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.285 -0.624 8.664 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.670 -2.091 11.936 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.942 -3.539 10.938 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.504 -1.996 10.166 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.371 -0.797 11.037 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.950 0.523 11.258 1.00 0.00 C ATOM 1523 C GLN A 100 -5.876 1.527 11.666 1.00 0.00 C ATOM 1524 O GLN A 100 -5.293 1.423 12.745 1.00 0.00 O ATOM 1525 CB GLN A 100 -8.035 0.453 12.334 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.352 -0.117 11.833 1.00 0.00 C ATOM 1527 CD GLN A 100 -10.426 -0.133 12.903 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -10.362 0.622 13.874 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -11.421 -0.995 12.730 1.00 0.00 N ATOM 0 H GLN A 100 -6.020 -1.250 11.881 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.397 0.858 10.322 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.675 -0.158 13.162 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.209 1.454 12.729 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.699 0.472 10.984 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.190 -1.132 11.471 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.433 -1.602 11.910 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.173 -1.050 13.417 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.621 2.499 10.796 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.617 3.507 11.084 1.00 0.00 C ATOM 1540 C GLY A 101 -5.214 4.893 11.232 1.00 0.00 C ATOM 1541 O GLY A 101 -5.891 5.386 10.329 1.00 0.00 O ATOM 0 H GLY A 101 -6.091 2.607 9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.092 3.241 12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.876 3.517 10.284 1.00 0.00 H new ATOM 1545 N THR A 102 -4.964 5.524 12.375 1.00 0.00 N ATOM 1546 CA THR A 102 -5.484 6.860 12.640 1.00 0.00 C ATOM 1547 C THR A 102 -4.402 7.918 12.451 1.00 0.00 C ATOM 1548 O THR A 102 -3.250 7.716 12.833 1.00 0.00 O ATOM 1549 CB THR A 102 -6.050 6.970 14.068 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.210 6.258 14.984 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.465 6.415 14.133 1.00 0.00 C ATOM 0 H THR A 102 -4.405 5.131 13.132 1.00 0.00 H new ATOM 0 HA THR A 102 -6.288 7.034 11.925 1.00 0.00 H new ATOM 0 HB THR A 102 -6.077 8.024 14.345 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.576 6.334 15.890 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.844 6.503 15.151 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.108 6.978 13.456 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.458 5.366 13.838 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.782 9.047 11.861 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.844 10.137 11.624 1.00 0.00 C ATOM 1561 C ALA A 103 -4.543 11.490 11.708 1.00 0.00 C ATOM 1562 O ALA A 103 -5.732 11.604 11.410 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.172 9.972 10.269 1.00 0.00 C ATOM 0 H ALA A 103 -5.732 9.230 11.539 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.081 10.101 12.402 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.474 10.794 10.106 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.631 9.026 10.244 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.929 9.978 9.484 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.798 12.512 12.117 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.348 13.856 12.242 1.00 0.00 C ATOM 1571 C ARG A 104 -3.596 14.836 11.345 1.00 0.00 C ATOM 1572 O ARG A 104 -2.414 15.109 11.558 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.281 14.325 13.696 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.173 15.519 13.993 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.245 15.803 15.486 1.00 0.00 C ATOM 1576 NE ARG A 104 -6.100 14.848 16.184 1.00 0.00 N ATOM 1577 CZ ARG A 104 -6.542 15.027 17.424 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -6.210 16.120 18.098 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -7.317 14.112 17.993 1.00 0.00 N ATOM 0 H ARG A 104 -2.812 12.435 12.367 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.391 13.826 11.925 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.565 13.499 14.349 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.250 14.583 13.938 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.792 16.398 13.472 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.175 15.330 13.609 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -4.242 15.769 15.910 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -5.624 16.813 15.645 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.373 13.997 15.693 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.614 16.825 17.664 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.551 16.255 19.050 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.574 13.270 17.478 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.655 14.251 18.945 1.00 0.00 H new ATOM 1593 N THR A 105 -4.289 15.363 10.341 1.00 0.00 N ATOM 1594 CA THR A 105 -3.688 16.311 9.412 1.00 0.00 C ATOM 1595 C THR A 105 -3.167 17.543 10.143 1.00 0.00 C ATOM 1596 O THR A 105 -3.424 17.726 11.334 1.00 0.00 O ATOM 1597 CB THR A 105 -4.694 16.756 8.333 1.00 0.00 C ATOM 1598 OG1 THR A 105 -5.902 17.214 8.949 1.00 0.00 O ATOM 1599 CG2 THR A 105 -5.006 15.612 7.380 1.00 0.00 C ATOM 0 H THR A 105 -5.268 15.149 10.150 1.00 0.00 H new ATOM 0 HA THR A 105 -2.855 15.797 8.932 1.00 0.00 H new ATOM 0 HB THR A 105 -4.246 17.570 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.445 17.693 8.289 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.718 15.950 6.627 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.088 15.285 6.891 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.435 14.780 7.938 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.434 18.386 9.424 1.00 0.00 N ATOM 1608 CA LEU A 106 -1.877 19.603 10.005 1.00 0.00 C ATOM 1609 C LEU A 106 -2.841 20.775 9.842 1.00 0.00 C ATOM 1610 O LEU A 106 -3.694 20.771 8.955 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.536 19.937 9.350 1.00 0.00 C ATOM 1612 CG LEU A 106 0.577 18.904 9.535 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.768 19.240 8.651 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.997 18.830 10.995 1.00 0.00 C ATOM 0 H LEU A 106 -2.211 18.249 8.438 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.721 19.429 11.070 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.701 20.077 8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.188 20.891 9.746 1.00 0.00 H new ATOM 0 HG LEU A 106 0.195 17.927 9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.550 18.495 8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.457 19.242 7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.152 20.225 8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.789 18.090 11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.362 19.805 11.319 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.141 18.542 11.606 1.00 0.00 H new ATOM 1626 N SER A 107 -2.697 21.776 10.705 1.00 0.00 N ATOM 1627 CA SER A 107 -3.556 22.954 10.658 1.00 0.00 C ATOM 1628 C SER A 107 -3.092 23.922 9.574 1.00 0.00 C ATOM 1629 O SER A 107 -3.904 24.576 8.921 1.00 0.00 O ATOM 1630 CB SER A 107 -3.565 23.658 12.016 1.00 0.00 C ATOM 1631 OG SER A 107 -4.642 24.575 12.107 1.00 0.00 O ATOM 0 H SER A 107 -1.995 21.795 11.444 1.00 0.00 H new ATOM 0 HA SER A 107 -4.568 22.626 10.419 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.645 22.918 12.812 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.622 24.184 12.163 1.00 0.00 H new ATOM 0 HG SER A 107 -4.627 25.011 12.985 1.00 0.00 H new ATOM 1637 N GLY A 108 -1.778 24.007 9.388 1.00 0.00 N ATOM 1638 CA GLY A 108 -1.227 24.897 8.383 1.00 0.00 C ATOM 1639 C GLY A 108 -0.074 25.727 8.912 1.00 0.00 C ATOM 1640 O GLY A 108 0.616 25.339 9.855 1.00 0.00 O ATOM 0 H GLY A 108 -1.086 23.475 9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.887 24.310 7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.012 25.561 8.020 1.00 0.00 H new ATOM 1644 N PRO A 109 0.150 26.897 8.296 1.00 0.00 N ATOM 1645 CA PRO A 109 1.228 27.807 8.694 1.00 0.00 C ATOM 1646 C PRO A 109 0.968 28.457 10.048 1.00 0.00 C ATOM 1647 O PRO A 109 1.758 29.278 10.515 1.00 0.00 O ATOM 1648 CB PRO A 109 1.228 28.863 7.585 1.00 0.00 C ATOM 1649 CG PRO A 109 -0.161 28.845 7.045 1.00 0.00 C ATOM 1650 CD PRO A 109 -0.633 27.422 7.165 1.00 0.00 C ATOM 0 HA PRO A 109 2.179 27.287 8.807 1.00 0.00 H new ATOM 0 HB2 PRO A 109 1.488 29.847 7.975 1.00 0.00 H new ATOM 0 HB3 PRO A 109 1.957 28.624 6.811 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -0.807 29.519 7.607 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.181 29.177 6.007 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.704 27.369 7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.446 26.858 6.251 1.00 0.00 H new ATOM 1658 N SER A 110 -0.143 28.085 10.675 1.00 0.00 N ATOM 1659 CA SER A 110 -0.509 28.635 11.975 1.00 0.00 C ATOM 1660 C SER A 110 0.692 28.647 12.917 1.00 0.00 C ATOM 1661 O SER A 110 1.293 27.607 13.187 1.00 0.00 O ATOM 1662 CB SER A 110 -1.648 27.823 12.594 1.00 0.00 C ATOM 1663 OG SER A 110 -2.887 28.134 11.980 1.00 0.00 O ATOM 0 H SER A 110 -0.806 27.405 10.304 1.00 0.00 H new ATOM 0 HA SER A 110 -0.843 29.662 11.826 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.441 26.758 12.485 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.706 28.028 13.663 1.00 0.00 H new ATOM 0 HG SER A 110 -3.599 27.601 12.392 1.00 0.00 H new ATOM 1669 N SER A 111 1.035 29.831 13.413 1.00 0.00 N ATOM 1670 CA SER A 111 2.165 29.981 14.322 1.00 0.00 C ATOM 1671 C SER A 111 1.692 30.368 15.719 1.00 0.00 C ATOM 1672 O SER A 111 2.128 29.793 16.716 1.00 0.00 O ATOM 1673 CB SER A 111 3.137 31.036 13.790 1.00 0.00 C ATOM 1674 OG SER A 111 3.935 30.513 12.742 1.00 0.00 O ATOM 0 H SER A 111 0.546 30.701 13.201 1.00 0.00 H new ATOM 0 HA SER A 111 2.679 29.022 14.385 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.579 31.900 13.430 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.778 31.385 14.599 1.00 0.00 H new ATOM 0 HG SER A 111 3.356 30.130 12.050 1.00 0.00 H new ATOM 1680 N GLY A 112 0.795 31.347 15.784 1.00 0.00 N ATOM 1681 CA GLY A 112 0.276 31.795 17.063 1.00 0.00 C ATOM 1682 C GLY A 112 -1.219 31.581 17.190 1.00 0.00 C ATOM 1683 O GLY A 112 -1.716 30.477 16.966 1.00 0.00 O ATOM 0 H GLY A 112 0.418 31.838 14.973 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.786 31.261 17.865 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.500 32.854 17.192 1.00 0.00 H new TER 1687 GLY A 112