USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 785 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 LYS NZ :NH3+ 160:sc= -0.3 (180deg=-0.879) USER MOD Set 1.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.00061) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0352 USER MOD Single : A 20 HIS : no HD1:sc= -1.85 K(o=-1.8,f=-4!) USER MOD Single : A 23 SER OG : rot 180:sc= -1.51! USER MOD Single : A 24 MET CE :methyl -115:sc= -0.0717 (180deg=-2.08!) USER MOD Single : A 29 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.5!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 170:sc= -2.03! USER MOD Single : A 42 HIS : no HE2:sc= -2.47 X(o=-2.5,f=-2.6!) USER MOD Single : A 45 GLN : amide:sc= -1.23 K(o=-1.2,f=-6.2!) USER MOD Single : A 48 TYR OH : rot 87:sc= 0.117 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.52) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 124:sc= 0.787 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0091 X(o=-0.0091,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -139:sc= 0.722 (180deg=-0.204) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -171:sc= -0.036 (180deg=-0.255) USER MOD Single : A 106 TYR OH : rot -5:sc= 1.13 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -9.836 11.868 -6.188 1.00 0.00 N ATOM 2 CA ALA A 8 -10.042 11.552 -4.780 1.00 0.00 C ATOM 3 C ALA A 8 -9.573 10.137 -4.462 1.00 0.00 C ATOM 4 O ALA A 8 -10.259 9.162 -4.768 1.00 0.00 O ATOM 5 CB ALA A 8 -11.508 11.719 -4.410 1.00 0.00 C ATOM 0 HA ALA A 8 -9.448 12.247 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.647 11.480 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.814 12.749 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.115 11.048 -5.017 1.00 0.00 H new ATOM 11 N ASP A 9 -8.399 10.032 -3.850 1.00 0.00 N ATOM 12 CA ASP A 9 -7.837 8.736 -3.492 1.00 0.00 C ATOM 13 C ASP A 9 -7.698 8.600 -1.979 1.00 0.00 C ATOM 14 O ASP A 9 -6.715 9.052 -1.392 1.00 0.00 O ATOM 15 CB ASP A 9 -6.474 8.546 -4.164 1.00 0.00 C ATOM 16 CG ASP A 9 -6.515 7.513 -5.273 1.00 0.00 C ATOM 17 OD1 ASP A 9 -7.624 7.215 -5.766 1.00 0.00 O ATOM 18 OD2 ASP A 9 -5.439 7.002 -5.649 1.00 0.00 O ATOM 0 H ASP A 9 -7.818 10.829 -3.591 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.519 7.962 -3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.137 9.499 -4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.742 8.243 -3.415 1.00 0.00 H new ATOM 23 N ARG A 10 -8.688 7.971 -1.353 1.00 0.00 N ATOM 24 CA ARG A 10 -8.675 7.772 0.092 1.00 0.00 C ATOM 25 C ARG A 10 -8.195 6.367 0.438 1.00 0.00 C ATOM 26 O ARG A 10 -8.525 5.402 -0.251 1.00 0.00 O ATOM 27 CB ARG A 10 -10.070 8.008 0.677 1.00 0.00 C ATOM 28 CG ARG A 10 -10.792 9.207 0.077 1.00 0.00 C ATOM 29 CD ARG A 10 -12.117 8.809 -0.557 1.00 0.00 C ATOM 30 NE ARG A 10 -13.259 9.335 0.187 1.00 0.00 N ATOM 31 CZ ARG A 10 -14.498 8.860 0.078 1.00 0.00 C ATOM 32 NH1 ARG A 10 -14.759 7.850 -0.744 1.00 0.00 N ATOM 33 NH2 ARG A 10 -15.479 9.395 0.791 1.00 0.00 N ATOM 0 H ARG A 10 -9.509 7.591 -1.824 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.983 8.493 0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.675 7.115 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.983 8.149 1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.970 9.951 0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.156 9.676 -0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.153 9.175 -1.583 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.184 7.722 -0.604 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.098 10.112 0.828 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.008 7.434 -1.296 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.710 7.490 -0.824 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.285 10.171 1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.428 9.031 0.707 1.00 0.00 H new ATOM 47 N LYS A 11 -7.410 6.258 1.505 1.00 0.00 N ATOM 48 CA LYS A 11 -6.882 4.967 1.934 1.00 0.00 C ATOM 49 C LYS A 11 -7.246 4.680 3.386 1.00 0.00 C ATOM 50 O LYS A 11 -7.357 5.595 4.200 1.00 0.00 O ATOM 51 CB LYS A 11 -5.360 4.930 1.764 1.00 0.00 C ATOM 52 CG LYS A 11 -4.865 5.639 0.512 1.00 0.00 C ATOM 53 CD LYS A 11 -4.279 7.003 0.838 1.00 0.00 C ATOM 54 CE LYS A 11 -3.067 7.310 -0.027 1.00 0.00 C ATOM 55 NZ LYS A 11 -1.847 6.604 0.456 1.00 0.00 N ATOM 0 H LYS A 11 -7.126 7.046 2.087 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.332 4.197 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.895 5.387 2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.032 3.891 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.110 5.026 0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.689 5.755 -0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.038 7.771 0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.994 7.036 1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.272 7.017 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.887 8.385 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.043 6.839 -0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.636 6.902 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.009 5.577 0.436 1.00 0.00 H new ATOM 69 N LEU A 12 -7.445 3.405 3.701 1.00 0.00 N ATOM 70 CA LEU A 12 -7.815 3.000 5.045 1.00 0.00 C ATOM 71 C LEU A 12 -6.617 2.749 5.923 1.00 0.00 C ATOM 72 O LEU A 12 -5.631 2.127 5.527 1.00 0.00 O ATOM 73 CB LEU A 12 -8.687 1.762 4.988 1.00 0.00 C ATOM 74 CG LEU A 12 -10.053 2.064 4.420 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.279 1.316 3.114 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.149 1.751 5.427 1.00 0.00 C ATOM 0 H LEU A 12 -7.355 2.634 3.039 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.371 3.825 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.199 1.002 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.794 1.346 5.990 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.095 3.132 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.270 1.551 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.524 1.617 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.204 0.243 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.121 1.979 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.109 0.694 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.004 2.355 6.322 1.00 0.00 H new ATOM 88 N CYS A 13 -6.739 3.259 7.128 1.00 0.00 N ATOM 89 CA CYS A 13 -5.695 3.133 8.135 1.00 0.00 C ATOM 90 C CYS A 13 -6.050 2.057 9.155 1.00 0.00 C ATOM 91 O CYS A 13 -7.222 1.825 9.448 1.00 0.00 O ATOM 92 CB CYS A 13 -5.477 4.474 8.841 1.00 0.00 C ATOM 93 SG CYS A 13 -3.733 4.999 8.919 1.00 0.00 S ATOM 0 H CYS A 13 -7.562 3.773 7.443 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.772 2.840 7.634 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.054 5.242 8.325 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.871 4.407 9.855 1.00 0.00 H new ATOM 98 N ALA A 14 -5.026 1.405 9.693 1.00 0.00 N ATOM 99 CA ALA A 14 -5.219 0.353 10.683 1.00 0.00 C ATOM 100 C ALA A 14 -5.284 0.929 12.095 1.00 0.00 C ATOM 101 O ALA A 14 -4.633 0.426 13.011 1.00 0.00 O ATOM 102 CB ALA A 14 -4.102 -0.675 10.580 1.00 0.00 C ATOM 0 H ALA A 14 -4.050 1.588 9.459 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.171 -0.136 10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.257 -1.456 11.324 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.105 -1.117 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.143 -0.189 10.758 1.00 0.00 H new ATOM 108 N ASP A 15 -6.074 1.988 12.267 1.00 0.00 N ATOM 109 CA ASP A 15 -6.224 2.634 13.569 1.00 0.00 C ATOM 110 C ASP A 15 -7.007 3.937 13.439 1.00 0.00 C ATOM 111 O ASP A 15 -7.581 4.226 12.389 1.00 0.00 O ATOM 112 CB ASP A 15 -4.852 2.914 14.195 1.00 0.00 C ATOM 113 CG ASP A 15 -4.704 2.293 15.571 1.00 0.00 C ATOM 114 OD1 ASP A 15 -5.428 1.318 15.864 1.00 0.00 O ATOM 115 OD2 ASP A 15 -3.863 2.781 16.355 1.00 0.00 O ATOM 0 H ASP A 15 -6.620 2.417 11.520 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.777 1.955 14.218 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.071 2.528 13.540 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.702 3.991 14.268 1.00 0.00 H new ATOM 120 N GLN A 16 -7.020 4.723 14.511 1.00 0.00 N ATOM 121 CA GLN A 16 -7.727 5.998 14.514 1.00 0.00 C ATOM 122 C GLN A 16 -6.784 7.137 14.139 1.00 0.00 C ATOM 123 O GLN A 16 -7.066 7.916 13.229 1.00 0.00 O ATOM 124 CB GLN A 16 -8.344 6.262 15.888 1.00 0.00 C ATOM 125 CG GLN A 16 -9.171 7.536 15.948 1.00 0.00 C ATOM 126 CD GLN A 16 -9.505 7.949 17.368 1.00 0.00 C ATOM 127 OE1 GLN A 16 -10.670 8.148 17.711 1.00 0.00 O ATOM 128 NE2 GLN A 16 -8.480 8.079 18.203 1.00 0.00 N ATOM 0 H GLN A 16 -6.549 4.499 15.388 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.524 5.947 13.772 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.974 5.416 16.163 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.547 6.320 16.630 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.625 8.342 15.458 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.095 7.391 15.389 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.530 7.904 17.875 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.643 8.354 19.172 1.00 0.00 H new ATOM 137 N GLU A 17 -5.662 7.226 14.848 1.00 0.00 N ATOM 138 CA GLU A 17 -4.677 8.263 14.593 1.00 0.00 C ATOM 139 C GLU A 17 -3.589 7.771 13.639 1.00 0.00 C ATOM 140 O GLU A 17 -2.508 8.355 13.565 1.00 0.00 O ATOM 141 CB GLU A 17 -4.046 8.728 15.907 1.00 0.00 C ATOM 142 CG GLU A 17 -3.374 10.089 15.812 1.00 0.00 C ATOM 143 CD GLU A 17 -2.669 10.481 17.096 1.00 0.00 C ATOM 144 OE1 GLU A 17 -3.198 10.168 18.184 1.00 0.00 O ATOM 145 OE2 GLU A 17 -1.588 11.101 17.015 1.00 0.00 O ATOM 0 H GLU A 17 -5.415 6.588 15.605 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.189 9.102 14.123 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.817 8.766 16.677 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.310 7.991 16.228 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.653 10.078 14.995 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.122 10.843 15.567 1.00 0.00 H new ATOM 152 N CYS A 18 -3.879 6.695 12.911 1.00 0.00 N ATOM 153 CA CYS A 18 -2.922 6.129 11.965 1.00 0.00 C ATOM 154 C CYS A 18 -1.609 5.780 12.660 1.00 0.00 C ATOM 155 O CYS A 18 -0.583 6.424 12.433 1.00 0.00 O ATOM 156 CB CYS A 18 -2.665 7.110 10.819 1.00 0.00 C ATOM 157 SG CYS A 18 -3.840 6.959 9.435 1.00 0.00 S ATOM 0 H CYS A 18 -4.769 6.198 12.958 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.349 5.212 11.559 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.708 8.127 11.209 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.654 6.955 10.442 1.00 0.00 H new ATOM 162 N SER A 19 -1.648 4.758 13.507 1.00 0.00 N ATOM 163 CA SER A 19 -0.462 4.323 14.235 1.00 0.00 C ATOM 164 C SER A 19 -0.515 2.823 14.515 1.00 0.00 C ATOM 165 O SER A 19 -0.328 2.385 15.651 1.00 0.00 O ATOM 166 CB SER A 19 -0.334 5.098 15.549 1.00 0.00 C ATOM 167 OG SER A 19 -0.307 6.496 15.316 1.00 0.00 O ATOM 0 H SER A 19 -2.488 4.215 13.707 1.00 0.00 H new ATOM 0 HA SER A 19 0.411 4.526 13.615 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.170 4.851 16.203 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.576 4.795 16.067 1.00 0.00 H new ATOM 0 HG SER A 19 -0.226 6.969 16.171 1.00 0.00 H new ATOM 173 N HIS A 20 -0.769 2.041 13.471 1.00 0.00 N ATOM 174 CA HIS A 20 -0.845 0.590 13.605 1.00 0.00 C ATOM 175 C HIS A 20 -0.819 -0.085 12.235 1.00 0.00 C ATOM 176 O HIS A 20 -1.308 0.469 11.251 1.00 0.00 O ATOM 177 CB HIS A 20 -2.115 0.193 14.360 1.00 0.00 C ATOM 178 CG HIS A 20 -1.867 -0.184 15.788 1.00 0.00 C ATOM 179 ND1 HIS A 20 -2.827 -0.079 16.772 1.00 0.00 N ATOM 180 CD2 HIS A 20 -0.758 -0.668 16.397 1.00 0.00 C ATOM 181 CE1 HIS A 20 -2.320 -0.481 17.924 1.00 0.00 C ATOM 182 NE2 HIS A 20 -1.066 -0.844 17.723 1.00 0.00 N ATOM 0 H HIS A 20 -0.926 2.387 12.524 1.00 0.00 H new ATOM 0 HA HIS A 20 0.024 0.255 14.171 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.821 1.023 14.329 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.586 -0.646 13.847 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.192 -0.877 15.927 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.842 -0.508 18.869 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.430 -1.198 18.437 1.00 0.00 H new ATOM 191 N PRO A 21 -0.245 -1.299 12.154 1.00 0.00 N ATOM 192 CA PRO A 21 -0.159 -2.049 10.897 1.00 0.00 C ATOM 193 C PRO A 21 -1.520 -2.561 10.438 1.00 0.00 C ATOM 194 O PRO A 21 -2.429 -2.748 11.247 1.00 0.00 O ATOM 195 CB PRO A 21 0.764 -3.219 11.244 1.00 0.00 C ATOM 196 CG PRO A 21 0.601 -3.406 12.712 1.00 0.00 C ATOM 197 CD PRO A 21 0.362 -2.034 13.280 1.00 0.00 C ATOM 0 HA PRO A 21 0.206 -1.432 10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.485 -4.119 10.697 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.799 -2.997 10.986 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.235 -4.070 12.930 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.491 -3.860 13.149 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.303 -2.067 14.143 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.291 -1.568 13.610 1.00 0.00 H new ATOM 205 N ILE A 22 -1.654 -2.785 9.135 1.00 0.00 N ATOM 206 CA ILE A 22 -2.905 -3.273 8.569 1.00 0.00 C ATOM 207 C ILE A 22 -2.981 -4.793 8.632 1.00 0.00 C ATOM 208 O ILE A 22 -3.809 -5.361 9.344 1.00 0.00 O ATOM 209 CB ILE A 22 -3.076 -2.815 7.096 1.00 0.00 C ATOM 210 CG1 ILE A 22 -3.890 -1.521 7.039 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.739 -3.901 6.243 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.304 -1.672 7.556 1.00 0.00 C ATOM 0 H ILE A 22 -0.911 -2.636 8.452 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.711 -2.849 9.168 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.084 -2.631 6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.379 -0.754 7.621 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.925 -1.168 6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.843 -3.546 5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.123 -4.800 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.724 -4.131 6.649 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.821 -0.715 7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.832 -2.415 6.959 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.278 -1.995 8.597 1.00 0.00 H new ATOM 224 N SER A 23 -2.132 -5.442 7.851 1.00 0.00 N ATOM 225 CA SER A 23 -2.119 -6.889 7.780 1.00 0.00 C ATOM 226 C SER A 23 -0.896 -7.379 7.024 1.00 0.00 C ATOM 227 O SER A 23 0.026 -6.616 6.737 1.00 0.00 O ATOM 228 CB SER A 23 -3.393 -7.376 7.085 1.00 0.00 C ATOM 229 OG SER A 23 -3.488 -6.856 5.770 1.00 0.00 O ATOM 0 H SER A 23 -1.441 -4.984 7.256 1.00 0.00 H new ATOM 0 HA SER A 23 -2.079 -7.291 8.793 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.398 -8.465 7.050 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.265 -7.072 7.663 1.00 0.00 H new ATOM 0 HG SER A 23 -4.309 -7.183 5.347 1.00 0.00 H new ATOM 235 N MET A 24 -0.908 -8.658 6.705 1.00 0.00 N ATOM 236 CA MET A 24 0.192 -9.279 5.972 1.00 0.00 C ATOM 237 C MET A 24 -0.332 -10.061 4.775 1.00 0.00 C ATOM 238 O MET A 24 -1.402 -10.667 4.839 1.00 0.00 O ATOM 239 CB MET A 24 0.992 -10.205 6.889 1.00 0.00 C ATOM 240 CG MET A 24 2.409 -10.465 6.404 1.00 0.00 C ATOM 241 SD MET A 24 3.135 -11.941 7.142 1.00 0.00 S ATOM 242 CE MET A 24 2.364 -13.226 6.161 1.00 0.00 C ATOM 0 H MET A 24 -1.669 -9.295 6.941 1.00 0.00 H new ATOM 0 HA MET A 24 0.848 -8.486 5.612 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.033 -9.768 7.887 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.467 -11.156 6.979 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.404 -10.571 5.319 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.033 -9.602 6.637 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.718 -13.831 6.797 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.770 -12.771 5.368 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.134 -13.859 5.720 1.00 0.00 H new ATOM 252 N ALA A 25 0.423 -10.044 3.681 1.00 0.00 N ATOM 253 CA ALA A 25 0.019 -10.755 2.474 1.00 0.00 C ATOM 254 C ALA A 25 1.205 -11.404 1.779 1.00 0.00 C ATOM 255 O ALA A 25 2.355 -11.144 2.119 1.00 0.00 O ATOM 256 CB ALA A 25 -0.701 -9.812 1.521 1.00 0.00 C ATOM 0 H ALA A 25 1.312 -9.549 3.606 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.664 -11.550 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.997 -10.357 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.588 -9.408 2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.035 -8.994 1.246 1.00 0.00 H new ATOM 262 N VAL A 26 0.912 -12.256 0.804 1.00 0.00 N ATOM 263 CA VAL A 26 1.950 -12.949 0.056 1.00 0.00 C ATOM 264 C VAL A 26 1.889 -12.586 -1.424 1.00 0.00 C ATOM 265 O VAL A 26 0.835 -12.222 -1.938 1.00 0.00 O ATOM 266 CB VAL A 26 1.813 -14.473 0.206 1.00 0.00 C ATOM 267 CG1 VAL A 26 2.945 -15.191 -0.516 1.00 0.00 C ATOM 268 CG2 VAL A 26 1.775 -14.864 1.675 1.00 0.00 C ATOM 0 H VAL A 26 -0.039 -12.483 0.513 1.00 0.00 H new ATOM 0 HA VAL A 26 2.910 -12.633 0.465 1.00 0.00 H new ATOM 0 HB VAL A 26 0.873 -14.779 -0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.828 -16.268 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.918 -14.939 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.901 -14.881 -0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.678 -15.946 1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.696 -14.543 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.924 -14.384 2.157 1.00 0.00 H new ATOM 278 N ALA A 27 3.023 -12.692 -2.103 1.00 0.00 N ATOM 279 CA ALA A 27 3.095 -12.378 -3.524 1.00 0.00 C ATOM 280 C ALA A 27 2.440 -13.475 -4.356 1.00 0.00 C ATOM 281 O ALA A 27 2.771 -14.653 -4.221 1.00 0.00 O ATOM 282 CB ALA A 27 4.542 -12.182 -3.949 1.00 0.00 C ATOM 0 H ALA A 27 3.907 -12.993 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 27 2.551 -11.450 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.580 -11.948 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.980 -11.361 -3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.104 -13.096 -3.758 1.00 0.00 H new ATOM 288 N LEU A 28 1.506 -13.079 -5.213 1.00 0.00 N ATOM 289 CA LEU A 28 0.798 -14.028 -6.066 1.00 0.00 C ATOM 290 C LEU A 28 1.527 -14.244 -7.392 1.00 0.00 C ATOM 291 O LEU A 28 1.102 -15.062 -8.208 1.00 0.00 O ATOM 292 CB LEU A 28 -0.626 -13.538 -6.331 1.00 0.00 C ATOM 293 CG LEU A 28 -1.690 -14.635 -6.379 1.00 0.00 C ATOM 294 CD1 LEU A 28 -1.971 -15.167 -4.983 1.00 0.00 C ATOM 295 CD2 LEU A 28 -2.967 -14.110 -7.019 1.00 0.00 C ATOM 0 H LEU A 28 1.221 -12.107 -5.336 1.00 0.00 H new ATOM 0 HA LEU A 28 0.763 -14.983 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.898 -12.823 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.638 -13.000 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.312 -15.456 -6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.731 -15.947 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.056 -15.581 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.329 -14.355 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.714 -14.904 -7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.348 -13.272 -6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.755 -13.778 -8.035 1.00 0.00 H new ATOM 307 N GLN A 29 2.627 -13.518 -7.601 1.00 0.00 N ATOM 308 CA GLN A 29 3.411 -13.640 -8.822 1.00 0.00 C ATOM 309 C GLN A 29 4.421 -12.506 -8.945 1.00 0.00 C ATOM 310 O GLN A 29 4.456 -11.592 -8.122 1.00 0.00 O ATOM 311 CB GLN A 29 2.509 -13.661 -10.061 1.00 0.00 C ATOM 312 CG GLN A 29 1.444 -12.578 -10.058 1.00 0.00 C ATOM 313 CD GLN A 29 0.245 -12.938 -10.915 1.00 0.00 C ATOM 314 OE1 GLN A 29 -0.112 -14.109 -11.042 1.00 0.00 O ATOM 315 NE2 GLN A 29 -0.382 -11.929 -11.508 1.00 0.00 N ATOM 0 H GLN A 29 2.993 -12.838 -6.935 1.00 0.00 H new ATOM 0 HA GLN A 29 3.950 -14.586 -8.763 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.127 -13.548 -10.952 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.024 -14.635 -10.131 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.114 -12.400 -9.034 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.878 -11.646 -10.420 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.051 -10.974 -11.374 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.195 -12.109 -12.097 1.00 0.00 H new ATOM 324 N ASP A 30 5.242 -12.582 -9.984 1.00 0.00 N ATOM 325 CA ASP A 30 6.264 -11.574 -10.237 1.00 0.00 C ATOM 326 C ASP A 30 5.655 -10.323 -10.860 1.00 0.00 C ATOM 327 O ASP A 30 4.796 -10.410 -11.737 1.00 0.00 O ATOM 328 CB ASP A 30 7.349 -12.138 -11.157 1.00 0.00 C ATOM 329 CG ASP A 30 8.560 -11.230 -11.248 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.464 -10.178 -11.913 1.00 0.00 O ATOM 331 OD2 ASP A 30 9.604 -11.572 -10.653 1.00 0.00 O ATOM 0 H ASP A 30 5.220 -13.337 -10.670 1.00 0.00 H new ATOM 0 HA ASP A 30 6.711 -11.300 -9.281 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.659 -13.117 -10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.935 -12.287 -12.154 1.00 0.00 H new ATOM 336 N TYR A 31 6.107 -9.160 -10.402 1.00 0.00 N ATOM 337 CA TYR A 31 5.605 -7.894 -10.919 1.00 0.00 C ATOM 338 C TYR A 31 6.617 -6.772 -10.691 1.00 0.00 C ATOM 339 O TYR A 31 6.523 -6.024 -9.718 1.00 0.00 O ATOM 340 CB TYR A 31 4.268 -7.551 -10.252 1.00 0.00 C ATOM 341 CG TYR A 31 3.815 -6.123 -10.466 1.00 0.00 C ATOM 342 CD1 TYR A 31 3.602 -5.623 -11.744 1.00 0.00 C ATOM 343 CD2 TYR A 31 3.601 -5.276 -9.386 1.00 0.00 C ATOM 344 CE1 TYR A 31 3.189 -4.318 -11.940 1.00 0.00 C ATOM 345 CE2 TYR A 31 3.187 -3.971 -9.573 1.00 0.00 C ATOM 346 CZ TYR A 31 2.983 -3.497 -10.852 1.00 0.00 C ATOM 347 OH TYR A 31 2.571 -2.198 -11.043 1.00 0.00 O ATOM 0 H TYR A 31 6.818 -9.069 -9.676 1.00 0.00 H new ATOM 0 HA TYR A 31 5.451 -7.996 -11.993 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.501 -8.225 -10.634 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.351 -7.737 -9.181 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.762 -6.264 -12.599 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.761 -5.644 -8.383 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.029 -3.944 -12.940 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.024 -3.326 -8.722 1.00 0.00 H new ATOM 0 HH TYR A 31 2.471 -1.755 -10.174 1.00 0.00 H new ATOM 357 N MET A 32 7.586 -6.669 -11.596 1.00 0.00 N ATOM 358 CA MET A 32 8.614 -5.662 -11.511 1.00 0.00 C ATOM 359 C MET A 32 8.050 -4.266 -11.759 1.00 0.00 C ATOM 360 O MET A 32 7.744 -3.907 -12.896 1.00 0.00 O ATOM 361 CB MET A 32 9.731 -5.958 -12.514 1.00 0.00 C ATOM 362 CG MET A 32 11.088 -5.420 -12.091 1.00 0.00 C ATOM 363 SD MET A 32 12.056 -4.805 -13.482 1.00 0.00 S ATOM 364 CE MET A 32 13.621 -4.463 -12.681 1.00 0.00 C ATOM 0 H MET A 32 7.672 -7.285 -12.404 1.00 0.00 H new ATOM 0 HA MET A 32 9.021 -5.688 -10.500 1.00 0.00 H new ATOM 0 HB2 MET A 32 9.805 -7.036 -12.655 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.464 -5.528 -13.479 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.947 -4.616 -11.368 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.646 -6.209 -11.586 1.00 0.00 H new ATOM 0 HE1 MET A 32 14.328 -4.074 -13.414 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.473 -3.725 -11.893 1.00 0.00 H new ATOM 0 HE3 MET A 32 14.016 -5.382 -12.248 1.00 0.00 H new ATOM 374 N ALA A 33 7.911 -3.486 -10.687 1.00 0.00 N ATOM 375 CA ALA A 33 7.384 -2.135 -10.775 1.00 0.00 C ATOM 376 C ALA A 33 7.916 -1.399 -12.006 1.00 0.00 C ATOM 377 O ALA A 33 8.956 -1.766 -12.553 1.00 0.00 O ATOM 378 CB ALA A 33 7.717 -1.358 -9.511 1.00 0.00 C ATOM 0 H ALA A 33 8.160 -3.776 -9.741 1.00 0.00 H new ATOM 0 HA ALA A 33 6.301 -2.207 -10.876 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.317 -0.347 -9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.274 -1.858 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.799 -1.311 -9.387 1.00 0.00 H new ATOM 384 N PRO A 34 7.211 -0.349 -12.458 1.00 0.00 N ATOM 385 CA PRO A 34 7.624 0.430 -13.630 1.00 0.00 C ATOM 386 C PRO A 34 9.074 0.896 -13.534 1.00 0.00 C ATOM 387 O PRO A 34 9.925 0.465 -14.313 1.00 0.00 O ATOM 388 CB PRO A 34 6.668 1.625 -13.621 1.00 0.00 C ATOM 389 CG PRO A 34 5.459 1.133 -12.903 1.00 0.00 C ATOM 390 CD PRO A 34 5.959 0.161 -11.869 1.00 0.00 C ATOM 0 HA PRO A 34 7.578 -0.157 -14.547 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.110 2.482 -13.113 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.425 1.946 -14.634 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.920 1.957 -12.436 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.766 0.649 -13.591 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.135 0.649 -10.910 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.242 -0.641 -11.691 1.00 0.00 H new ATOM 398 N ASP A 35 9.353 1.776 -12.576 1.00 0.00 N ATOM 399 CA ASP A 35 10.704 2.294 -12.385 1.00 0.00 C ATOM 400 C ASP A 35 10.753 3.287 -11.228 1.00 0.00 C ATOM 401 O ASP A 35 10.536 4.484 -11.418 1.00 0.00 O ATOM 402 CB ASP A 35 11.204 2.965 -13.666 1.00 0.00 C ATOM 403 CG ASP A 35 12.677 2.708 -13.916 1.00 0.00 C ATOM 404 OD1 ASP A 35 13.508 3.213 -13.132 1.00 0.00 O ATOM 405 OD2 ASP A 35 13.000 2.003 -14.895 1.00 0.00 O ATOM 0 H ASP A 35 8.663 2.144 -11.921 1.00 0.00 H new ATOM 0 HA ASP A 35 11.354 1.452 -12.145 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.625 2.599 -14.514 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.031 4.039 -13.601 1.00 0.00 H new ATOM 410 N CYS A 36 11.043 2.785 -10.029 1.00 0.00 N ATOM 411 CA CYS A 36 11.128 3.627 -8.834 1.00 0.00 C ATOM 412 C CYS A 36 9.743 4.030 -8.333 1.00 0.00 C ATOM 413 O CYS A 36 9.416 3.824 -7.164 1.00 0.00 O ATOM 414 CB CYS A 36 11.965 4.879 -9.115 1.00 0.00 C ATOM 415 SG CYS A 36 12.559 5.728 -7.616 1.00 0.00 S ATOM 0 H CYS A 36 11.224 1.796 -9.858 1.00 0.00 H new ATOM 0 HA CYS A 36 11.614 3.040 -8.055 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.824 4.600 -9.726 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.369 5.577 -9.703 1.00 0.00 H new ATOM 420 N ARG A 37 8.937 4.614 -9.219 1.00 0.00 N ATOM 421 CA ARG A 37 7.587 5.058 -8.870 1.00 0.00 C ATOM 422 C ARG A 37 6.864 4.041 -7.987 1.00 0.00 C ATOM 423 O ARG A 37 6.036 4.410 -7.154 1.00 0.00 O ATOM 424 CB ARG A 37 6.770 5.312 -10.138 1.00 0.00 C ATOM 425 CG ARG A 37 7.135 6.604 -10.851 1.00 0.00 C ATOM 426 CD ARG A 37 6.742 7.824 -10.032 1.00 0.00 C ATOM 427 NE ARG A 37 6.083 8.842 -10.848 1.00 0.00 N ATOM 428 CZ ARG A 37 5.955 10.115 -10.483 1.00 0.00 C ATOM 429 NH1 ARG A 37 6.437 10.531 -9.319 1.00 0.00 N ATOM 430 NH2 ARG A 37 5.341 10.975 -11.284 1.00 0.00 N ATOM 0 H ARG A 37 9.197 4.792 -10.189 1.00 0.00 H new ATOM 0 HA ARG A 37 7.685 5.985 -8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.911 4.477 -10.824 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.712 5.337 -9.879 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.208 6.624 -11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.637 6.639 -11.820 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.076 7.519 -9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.631 8.251 -9.568 1.00 0.00 H new ATOM 0 HE ARG A 37 5.699 8.560 -11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.909 9.874 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.336 11.508 -9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.967 10.660 -12.179 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.243 11.951 -11.005 1.00 0.00 H new ATOM 444 N PHE A 38 7.179 2.763 -8.172 1.00 0.00 N ATOM 445 CA PHE A 38 6.551 1.705 -7.387 1.00 0.00 C ATOM 446 C PHE A 38 7.533 0.574 -7.100 1.00 0.00 C ATOM 447 O PHE A 38 8.621 0.519 -7.673 1.00 0.00 O ATOM 448 CB PHE A 38 5.325 1.158 -8.120 1.00 0.00 C ATOM 449 CG PHE A 38 4.332 2.218 -8.499 1.00 0.00 C ATOM 450 CD1 PHE A 38 3.414 2.689 -7.574 1.00 0.00 C ATOM 451 CD2 PHE A 38 4.316 2.744 -9.781 1.00 0.00 C ATOM 452 CE1 PHE A 38 2.499 3.665 -7.920 1.00 0.00 C ATOM 453 CE2 PHE A 38 3.403 3.720 -10.133 1.00 0.00 C ATOM 454 CZ PHE A 38 2.493 4.181 -9.201 1.00 0.00 C ATOM 0 H PHE A 38 7.862 2.435 -8.855 1.00 0.00 H new ATOM 0 HA PHE A 38 6.238 2.135 -6.435 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.652 0.639 -9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.833 0.420 -7.487 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.414 2.289 -6.571 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.025 2.387 -10.513 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.789 4.024 -7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.401 4.122 -11.135 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.778 4.943 -9.474 1.00 0.00 H new ATOM 464 N LEU A 39 7.138 -0.327 -6.205 1.00 0.00 N ATOM 465 CA LEU A 39 7.978 -1.461 -5.834 1.00 0.00 C ATOM 466 C LEU A 39 7.524 -2.731 -6.549 1.00 0.00 C ATOM 467 O LEU A 39 6.359 -2.860 -6.923 1.00 0.00 O ATOM 468 CB LEU A 39 7.938 -1.673 -4.319 1.00 0.00 C ATOM 469 CG LEU A 39 9.253 -2.137 -3.694 1.00 0.00 C ATOM 470 CD1 LEU A 39 10.201 -0.962 -3.513 1.00 0.00 C ATOM 471 CD2 LEU A 39 8.994 -2.826 -2.363 1.00 0.00 C ATOM 0 H LEU A 39 6.240 -0.293 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 39 9.001 -1.241 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.638 -0.738 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.166 -2.408 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 39 9.722 -2.854 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.132 -1.311 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.410 -0.511 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.741 -0.221 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.941 -3.150 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.504 -2.130 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.351 -3.692 -2.521 1.00 0.00 H new ATOM 483 N THR A 40 8.452 -3.664 -6.736 1.00 0.00 N ATOM 484 CA THR A 40 8.145 -4.921 -7.407 1.00 0.00 C ATOM 485 C THR A 40 7.631 -5.963 -6.420 1.00 0.00 C ATOM 486 O THR A 40 7.688 -5.768 -5.206 1.00 0.00 O ATOM 487 CB THR A 40 9.381 -5.459 -8.126 1.00 0.00 C ATOM 488 OG1 THR A 40 9.113 -6.726 -8.704 1.00 0.00 O ATOM 489 CG2 THR A 40 10.583 -5.616 -7.224 1.00 0.00 C ATOM 0 H THR A 40 9.422 -3.573 -6.433 1.00 0.00 H new ATOM 0 HA THR A 40 7.362 -4.722 -8.138 1.00 0.00 H new ATOM 0 HB THR A 40 9.615 -4.715 -8.887 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.855 -6.981 -9.292 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.423 -6.002 -7.801 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.849 -4.648 -6.800 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.346 -6.312 -6.419 1.00 0.00 H new ATOM 497 N ILE A 41 7.132 -7.072 -6.955 1.00 0.00 N ATOM 498 CA ILE A 41 6.608 -8.153 -6.129 1.00 0.00 C ATOM 499 C ILE A 41 6.855 -9.508 -6.787 1.00 0.00 C ATOM 500 O ILE A 41 6.206 -9.854 -7.773 1.00 0.00 O ATOM 501 CB ILE A 41 5.098 -7.978 -5.869 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.826 -6.609 -5.241 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.576 -9.092 -4.971 1.00 0.00 C ATOM 504 CD1 ILE A 41 3.361 -6.347 -4.969 1.00 0.00 C ATOM 0 H ILE A 41 7.079 -7.246 -7.959 1.00 0.00 H new ATOM 0 HA ILE A 41 7.135 -8.115 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 41 4.572 -8.035 -6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.380 -6.531 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.208 -5.832 -5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.509 -8.951 -4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.742 -10.056 -5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.103 -9.068 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.245 -5.359 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.804 -6.392 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.978 -7.101 -4.282 1.00 0.00 H new ATOM 516 N HIS A 42 7.804 -10.265 -6.241 1.00 0.00 N ATOM 517 CA HIS A 42 8.145 -11.577 -6.782 1.00 0.00 C ATOM 518 C HIS A 42 7.440 -12.699 -6.023 1.00 0.00 C ATOM 519 O HIS A 42 7.132 -12.565 -4.839 1.00 0.00 O ATOM 520 CB HIS A 42 9.659 -11.791 -6.730 1.00 0.00 C ATOM 521 CG HIS A 42 10.122 -12.974 -7.522 1.00 0.00 C ATOM 522 ND1 HIS A 42 10.856 -12.861 -8.684 1.00 0.00 N ATOM 523 CD2 HIS A 42 9.952 -14.301 -7.314 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.117 -14.067 -9.157 1.00 0.00 C ATOM 525 NE2 HIS A 42 10.580 -14.958 -8.344 1.00 0.00 N ATOM 0 H HIS A 42 8.350 -9.992 -5.424 1.00 0.00 H new ATOM 0 HA HIS A 42 7.807 -11.605 -7.818 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.158 -10.896 -7.103 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.965 -11.917 -5.691 1.00 0.00 H new ATOM 0 HD1 HIS A 42 11.151 -11.983 -9.112 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.422 -14.758 -6.492 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.675 -14.286 -10.056 1.00 0.00 H new ATOM 534 N ARG A 43 7.188 -13.806 -6.720 1.00 0.00 N ATOM 535 CA ARG A 43 6.520 -14.962 -6.127 1.00 0.00 C ATOM 536 C ARG A 43 7.101 -15.316 -4.762 1.00 0.00 C ATOM 537 O ARG A 43 8.211 -14.911 -4.416 1.00 0.00 O ATOM 538 CB ARG A 43 6.642 -16.178 -7.051 1.00 0.00 C ATOM 539 CG ARG A 43 5.454 -16.377 -7.975 1.00 0.00 C ATOM 540 CD ARG A 43 4.145 -16.466 -7.205 1.00 0.00 C ATOM 541 NE ARG A 43 4.080 -17.663 -6.370 1.00 0.00 N ATOM 542 CZ ARG A 43 3.746 -18.868 -6.824 1.00 0.00 C ATOM 543 NH1 ARG A 43 3.443 -19.044 -8.105 1.00 0.00 N ATOM 544 NH2 ARG A 43 3.713 -19.903 -5.995 1.00 0.00 N ATOM 0 H ARG A 43 7.438 -13.926 -7.701 1.00 0.00 H new ATOM 0 HA ARG A 43 5.471 -14.694 -5.997 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.544 -16.073 -7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.768 -17.073 -6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.403 -15.550 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.595 -17.288 -8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.032 -15.581 -6.579 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.311 -16.468 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 43 4.304 -17.569 -5.379 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.465 -18.252 -8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.188 -19.971 -8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.944 -19.775 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.457 -20.827 -6.343 1.00 0.00 H new ATOM 558 N GLY A 44 6.337 -16.093 -4.004 1.00 0.00 N ATOM 559 CA GLY A 44 6.767 -16.528 -2.684 1.00 0.00 C ATOM 560 C GLY A 44 7.390 -15.422 -1.851 1.00 0.00 C ATOM 561 O GLY A 44 8.231 -15.686 -0.992 1.00 0.00 O ATOM 0 H GLY A 44 5.417 -16.434 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.910 -16.936 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.488 -17.338 -2.795 1.00 0.00 H new ATOM 565 N GLN A 45 6.975 -14.184 -2.094 1.00 0.00 N ATOM 566 CA GLN A 45 7.497 -13.047 -1.348 1.00 0.00 C ATOM 567 C GLN A 45 6.400 -12.421 -0.498 1.00 0.00 C ATOM 568 O GLN A 45 5.455 -11.833 -1.024 1.00 0.00 O ATOM 569 CB GLN A 45 8.082 -12.004 -2.303 1.00 0.00 C ATOM 570 CG GLN A 45 9.132 -11.112 -1.662 1.00 0.00 C ATOM 571 CD GLN A 45 9.936 -10.334 -2.685 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.724 -9.137 -2.879 1.00 0.00 O ATOM 573 NE2 GLN A 45 10.866 -11.013 -3.347 1.00 0.00 N ATOM 0 H GLN A 45 6.280 -13.943 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 45 8.290 -13.402 -0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.524 -12.515 -3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.274 -11.381 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.645 -10.414 -0.981 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.807 -11.723 -1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.008 -12.004 -3.154 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.438 -10.543 -4.048 1.00 0.00 H new ATOM 582 N VAL A 46 6.525 -12.554 0.818 1.00 0.00 N ATOM 583 CA VAL A 46 5.538 -12.003 1.731 1.00 0.00 C ATOM 584 C VAL A 46 5.596 -10.481 1.742 1.00 0.00 C ATOM 585 O VAL A 46 6.635 -9.885 1.458 1.00 0.00 O ATOM 586 CB VAL A 46 5.745 -12.531 3.160 1.00 0.00 C ATOM 587 CG1 VAL A 46 4.673 -11.992 4.095 1.00 0.00 C ATOM 588 CG2 VAL A 46 5.756 -14.053 3.171 1.00 0.00 C ATOM 0 H VAL A 46 7.299 -13.038 1.273 1.00 0.00 H new ATOM 0 HA VAL A 46 4.558 -12.321 1.376 1.00 0.00 H new ATOM 0 HB VAL A 46 6.713 -12.180 3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.839 -12.379 5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.720 -10.903 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.691 -12.307 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.904 -14.408 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.805 -14.426 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.567 -14.416 2.539 1.00 0.00 H new ATOM 598 N VAL A 47 4.470 -9.859 2.064 1.00 0.00 N ATOM 599 CA VAL A 47 4.371 -8.433 2.108 1.00 0.00 C ATOM 600 C VAL A 47 3.685 -7.974 3.392 1.00 0.00 C ATOM 601 O VAL A 47 3.128 -8.784 4.135 1.00 0.00 O ATOM 602 CB VAL A 47 3.589 -7.881 0.898 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.425 -6.889 0.107 1.00 0.00 C ATOM 604 CG2 VAL A 47 3.099 -9.007 -0.005 1.00 0.00 C ATOM 0 H VAL A 47 3.605 -10.344 2.300 1.00 0.00 H new ATOM 0 HA VAL A 47 5.389 -8.044 2.078 1.00 0.00 H new ATOM 0 HB VAL A 47 2.717 -7.355 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.846 -6.518 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.704 -6.054 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.326 -7.382 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.552 -8.585 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.953 -9.575 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.441 -9.667 0.561 1.00 0.00 H new ATOM 614 N TYR A 48 3.719 -6.671 3.636 1.00 0.00 N ATOM 615 CA TYR A 48 3.095 -6.095 4.820 1.00 0.00 C ATOM 616 C TYR A 48 2.348 -4.815 4.458 1.00 0.00 C ATOM 617 O TYR A 48 2.956 -3.759 4.279 1.00 0.00 O ATOM 618 CB TYR A 48 4.148 -5.803 5.890 1.00 0.00 C ATOM 619 CG TYR A 48 4.415 -6.970 6.814 1.00 0.00 C ATOM 620 CD1 TYR A 48 3.550 -7.266 7.859 1.00 0.00 C ATOM 621 CD2 TYR A 48 5.534 -7.776 6.640 1.00 0.00 C ATOM 622 CE1 TYR A 48 3.791 -8.331 8.706 1.00 0.00 C ATOM 623 CE2 TYR A 48 5.781 -8.844 7.483 1.00 0.00 C ATOM 624 CZ TYR A 48 4.907 -9.117 8.514 1.00 0.00 C ATOM 625 OH TYR A 48 5.151 -10.178 9.355 1.00 0.00 O ATOM 0 H TYR A 48 4.174 -5.990 3.027 1.00 0.00 H new ATOM 0 HA TYR A 48 2.382 -6.817 5.218 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.080 -5.517 5.402 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.823 -4.948 6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.674 -6.653 8.013 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.221 -7.565 5.834 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.108 -8.546 9.515 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.655 -9.462 7.335 1.00 0.00 H new ATOM 0 HH TYR A 48 4.686 -10.974 9.021 1.00 0.00 H new ATOM 635 N VAL A 49 1.029 -4.917 4.346 1.00 0.00 N ATOM 636 CA VAL A 49 0.200 -3.769 3.998 1.00 0.00 C ATOM 637 C VAL A 49 0.151 -2.756 5.135 1.00 0.00 C ATOM 638 O VAL A 49 0.004 -3.120 6.301 1.00 0.00 O ATOM 639 CB VAL A 49 -1.237 -4.201 3.650 1.00 0.00 C ATOM 640 CG1 VAL A 49 -2.032 -3.025 3.102 1.00 0.00 C ATOM 641 CG2 VAL A 49 -1.223 -5.352 2.656 1.00 0.00 C ATOM 0 H VAL A 49 0.510 -5.783 4.491 1.00 0.00 H new ATOM 0 HA VAL A 49 0.657 -3.305 3.124 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.723 -4.545 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.044 -3.350 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.073 -2.233 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.549 -2.648 2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.247 -5.643 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.718 -5.038 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.694 -6.201 3.090 1.00 0.00 H new ATOM 651 N PHE A 50 0.278 -1.481 4.782 1.00 0.00 N ATOM 652 CA PHE A 50 0.247 -0.405 5.766 1.00 0.00 C ATOM 653 C PHE A 50 -0.914 0.550 5.494 1.00 0.00 C ATOM 654 O PHE A 50 -1.405 1.218 6.405 1.00 0.00 O ATOM 655 CB PHE A 50 1.572 0.362 5.754 1.00 0.00 C ATOM 656 CG PHE A 50 2.420 0.112 6.969 1.00 0.00 C ATOM 657 CD1 PHE A 50 3.287 -0.968 7.014 1.00 0.00 C ATOM 658 CD2 PHE A 50 2.350 0.958 8.065 1.00 0.00 C ATOM 659 CE1 PHE A 50 4.069 -1.200 8.130 1.00 0.00 C ATOM 660 CE2 PHE A 50 3.129 0.730 9.183 1.00 0.00 C ATOM 661 CZ PHE A 50 3.990 -0.350 9.216 1.00 0.00 C ATOM 0 H PHE A 50 0.404 -1.167 3.820 1.00 0.00 H new ATOM 0 HA PHE A 50 0.102 -0.849 6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.136 0.084 4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.364 1.429 5.679 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.352 -1.636 6.168 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.679 1.804 8.045 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.741 -2.045 8.153 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.065 1.396 10.031 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.600 -0.529 10.089 1.00 0.00 H new ATOM 671 N SER A 51 -1.350 0.610 4.238 1.00 0.00 N ATOM 672 CA SER A 51 -2.453 1.483 3.853 1.00 0.00 C ATOM 673 C SER A 51 -3.021 1.074 2.498 1.00 0.00 C ATOM 674 O SER A 51 -2.330 1.129 1.481 1.00 0.00 O ATOM 675 CB SER A 51 -1.986 2.939 3.804 1.00 0.00 C ATOM 676 OG SER A 51 -3.041 3.825 4.133 1.00 0.00 O ATOM 0 H SER A 51 -0.956 0.065 3.471 1.00 0.00 H new ATOM 0 HA SER A 51 -3.239 1.386 4.602 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.158 3.082 4.498 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.610 3.170 2.807 1.00 0.00 H new ATOM 0 HG SER A 51 -2.716 4.749 4.096 1.00 0.00 H new ATOM 682 N LYS A 52 -4.285 0.663 2.492 1.00 0.00 N ATOM 683 CA LYS A 52 -4.945 0.244 1.261 1.00 0.00 C ATOM 684 C LYS A 52 -5.843 1.351 0.719 1.00 0.00 C ATOM 685 O LYS A 52 -6.683 1.891 1.439 1.00 0.00 O ATOM 686 CB LYS A 52 -5.770 -1.021 1.506 1.00 0.00 C ATOM 687 CG LYS A 52 -5.011 -2.111 2.245 1.00 0.00 C ATOM 688 CD LYS A 52 -5.956 -3.050 2.977 1.00 0.00 C ATOM 689 CE LYS A 52 -6.251 -2.558 4.385 1.00 0.00 C ATOM 690 NZ LYS A 52 -7.430 -1.649 4.420 1.00 0.00 N ATOM 0 H LYS A 52 -4.872 0.611 3.325 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.174 0.031 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.660 -0.759 2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.111 -1.413 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.408 -2.679 1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.323 -1.657 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.888 -3.138 2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.517 -4.047 3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.432 -3.412 5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.378 -2.036 4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.806 -1.605 5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.143 -0.697 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.166 -2.010 3.779 1.00 0.00 H new ATOM 704 N LEU A 53 -5.662 1.681 -0.555 1.00 0.00 N ATOM 705 CA LEU A 53 -6.458 2.721 -1.196 1.00 0.00 C ATOM 706 C LEU A 53 -7.598 2.108 -2.002 1.00 0.00 C ATOM 707 O LEU A 53 -7.366 1.379 -2.965 1.00 0.00 O ATOM 708 CB LEU A 53 -5.577 3.578 -2.107 1.00 0.00 C ATOM 709 CG LEU A 53 -6.159 4.944 -2.476 1.00 0.00 C ATOM 710 CD1 LEU A 53 -5.055 5.987 -2.573 1.00 0.00 C ATOM 711 CD2 LEU A 53 -6.932 4.857 -3.783 1.00 0.00 C ATOM 0 H LEU A 53 -4.971 1.243 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.884 3.353 -0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.615 3.731 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.383 3.023 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.849 5.249 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.488 6.952 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.545 6.068 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.339 5.689 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.339 5.837 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.264 4.530 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.747 4.142 -3.676 1.00 0.00 H new ATOM 723 N LYS A 54 -8.829 2.406 -1.600 1.00 0.00 N ATOM 724 CA LYS A 54 -10.004 1.879 -2.284 1.00 0.00 C ATOM 725 C LYS A 54 -11.024 2.986 -2.550 1.00 0.00 C ATOM 726 O LYS A 54 -10.692 4.171 -2.509 1.00 0.00 O ATOM 727 CB LYS A 54 -10.637 0.761 -1.452 1.00 0.00 C ATOM 728 CG LYS A 54 -11.262 1.249 -0.154 1.00 0.00 C ATOM 729 CD LYS A 54 -12.546 0.500 0.166 1.00 0.00 C ATOM 730 CE LYS A 54 -13.775 1.350 -0.118 1.00 0.00 C ATOM 731 NZ LYS A 54 -14.039 2.327 0.974 1.00 0.00 N ATOM 0 H LYS A 54 -9.039 3.009 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.689 1.472 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.401 0.263 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.876 0.015 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.552 1.121 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.472 2.316 -0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.591 -0.415 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.543 0.203 1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.637 1.885 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.643 0.703 -0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.884 2.887 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.196 1.816 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.221 2.961 1.077 1.00 0.00 H new ATOM 745 N GLY A 55 -12.267 2.594 -2.824 1.00 0.00 N ATOM 746 CA GLY A 55 -13.310 3.567 -3.094 1.00 0.00 C ATOM 747 C GLY A 55 -12.986 4.446 -4.286 1.00 0.00 C ATOM 748 O GLY A 55 -13.566 5.519 -4.449 1.00 0.00 O ATOM 0 H GLY A 55 -12.569 1.620 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.251 3.047 -3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.456 4.193 -2.214 1.00 0.00 H new ATOM 752 N ARG A 56 -12.055 3.988 -5.120 1.00 0.00 N ATOM 753 CA ARG A 56 -11.644 4.731 -6.308 1.00 0.00 C ATOM 754 C ARG A 56 -10.373 4.132 -6.902 1.00 0.00 C ATOM 755 O ARG A 56 -10.162 4.177 -8.113 1.00 0.00 O ATOM 756 CB ARG A 56 -11.413 6.209 -5.971 1.00 0.00 C ATOM 757 CG ARG A 56 -12.545 7.119 -6.418 1.00 0.00 C ATOM 758 CD ARG A 56 -12.253 7.750 -7.770 1.00 0.00 C ATOM 759 NE ARG A 56 -12.869 7.007 -8.866 1.00 0.00 N ATOM 760 CZ ARG A 56 -13.101 7.520 -10.072 1.00 0.00 C ATOM 761 NH1 ARG A 56 -12.767 8.777 -10.343 1.00 0.00 N ATOM 762 NH2 ARG A 56 -13.668 6.776 -11.012 1.00 0.00 N ATOM 0 H ARG A 56 -11.569 3.100 -4.993 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.446 4.660 -7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.280 6.311 -4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.486 6.539 -6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.472 6.548 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.698 7.902 -5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.619 8.777 -7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.175 7.795 -7.924 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.137 6.038 -8.697 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.330 9.355 -9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.947 9.164 -11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.927 5.810 -10.811 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.846 7.170 -11.936 1.00 0.00 H new ATOM 776 N GLY A 57 -9.528 3.572 -6.039 1.00 0.00 N ATOM 777 CA GLY A 57 -8.288 2.975 -6.501 1.00 0.00 C ATOM 778 C GLY A 57 -7.957 1.681 -5.783 1.00 0.00 C ATOM 779 O GLY A 57 -6.812 1.458 -5.392 1.00 0.00 O ATOM 0 H GLY A 57 -9.680 3.522 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.359 2.783 -7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.473 3.684 -6.357 1.00 0.00 H new ATOM 783 N ARG A 58 -8.961 0.825 -5.611 1.00 0.00 N ATOM 784 CA ARG A 58 -8.773 -0.452 -4.937 1.00 0.00 C ATOM 785 C ARG A 58 -7.621 -1.237 -5.560 1.00 0.00 C ATOM 786 O ARG A 58 -6.958 -2.027 -4.886 1.00 0.00 O ATOM 787 CB ARG A 58 -10.059 -1.275 -5.000 1.00 0.00 C ATOM 788 CG ARG A 58 -10.220 -2.240 -3.837 1.00 0.00 C ATOM 789 CD ARG A 58 -11.492 -3.062 -3.967 1.00 0.00 C ATOM 790 NE ARG A 58 -11.623 -4.039 -2.888 1.00 0.00 N ATOM 791 CZ ARG A 58 -12.771 -4.626 -2.555 1.00 0.00 C ATOM 792 NH1 ARG A 58 -13.887 -4.339 -3.214 1.00 0.00 N ATOM 793 NH2 ARG A 58 -12.802 -5.502 -1.561 1.00 0.00 N ATOM 0 H ARG A 58 -9.914 0.995 -5.931 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.526 -0.251 -3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.913 -0.598 -5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.075 -1.838 -5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.358 -2.906 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.240 -1.683 -2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.356 -2.397 -3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.494 -3.579 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.786 -4.286 -2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.868 -3.666 -3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.763 -4.792 -2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.947 -5.726 -1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.681 -5.952 -1.305 1.00 0.00 H new ATOM 807 N LEU A 59 -7.392 -1.018 -6.852 1.00 0.00 N ATOM 808 CA LEU A 59 -6.331 -1.702 -7.571 1.00 0.00 C ATOM 809 C LEU A 59 -4.948 -1.160 -7.200 1.00 0.00 C ATOM 810 O LEU A 59 -3.933 -1.656 -7.687 1.00 0.00 O ATOM 811 CB LEU A 59 -6.549 -1.577 -9.080 1.00 0.00 C ATOM 812 CG LEU A 59 -6.968 -0.184 -9.562 1.00 0.00 C ATOM 813 CD1 LEU A 59 -6.043 0.301 -10.666 1.00 0.00 C ATOM 814 CD2 LEU A 59 -8.412 -0.195 -10.042 1.00 0.00 C ATOM 0 H LEU A 59 -7.933 -0.367 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.366 -2.752 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.627 -1.859 -9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.312 -2.294 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.891 0.506 -8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.357 1.292 -10.995 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.021 0.351 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.086 -0.391 -11.507 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.691 0.803 -10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.516 -0.900 -10.867 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.065 -0.496 -9.223 1.00 0.00 H new ATOM 826 N PHE A 60 -4.909 -0.141 -6.345 1.00 0.00 N ATOM 827 CA PHE A 60 -3.647 0.456 -5.926 1.00 0.00 C ATOM 828 C PHE A 60 -3.558 0.522 -4.405 1.00 0.00 C ATOM 829 O PHE A 60 -4.010 1.487 -3.789 1.00 0.00 O ATOM 830 CB PHE A 60 -3.509 1.859 -6.524 1.00 0.00 C ATOM 831 CG PHE A 60 -2.314 2.021 -7.422 1.00 0.00 C ATOM 832 CD1 PHE A 60 -1.935 1.007 -8.288 1.00 0.00 C ATOM 833 CD2 PHE A 60 -1.572 3.191 -7.402 1.00 0.00 C ATOM 834 CE1 PHE A 60 -0.838 1.157 -9.115 1.00 0.00 C ATOM 835 CE2 PHE A 60 -0.475 3.347 -8.228 1.00 0.00 C ATOM 836 CZ PHE A 60 -0.108 2.329 -9.085 1.00 0.00 C ATOM 0 H PHE A 60 -5.737 0.287 -5.930 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.831 -0.169 -6.289 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.411 2.093 -7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.444 2.585 -5.713 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.504 0.089 -8.317 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.854 3.991 -6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.552 0.359 -9.784 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.094 4.264 -8.203 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.749 2.449 -9.731 1.00 0.00 H new ATOM 846 N TRP A 61 -2.972 -0.508 -3.805 1.00 0.00 N ATOM 847 CA TRP A 61 -2.825 -0.562 -2.353 1.00 0.00 C ATOM 848 C TRP A 61 -1.508 0.071 -1.920 1.00 0.00 C ATOM 849 O TRP A 61 -0.744 0.564 -2.750 1.00 0.00 O ATOM 850 CB TRP A 61 -2.896 -2.010 -1.862 1.00 0.00 C ATOM 851 CG TRP A 61 -4.296 -2.495 -1.631 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.446 -1.960 -2.139 1.00 0.00 C ATOM 853 CD2 TRP A 61 -4.695 -3.615 -0.832 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.531 -2.677 -1.708 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.098 -3.699 -0.903 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.001 -4.555 -0.064 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -6.820 -4.686 -0.236 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -4.719 -5.534 0.597 1.00 0.00 C ATOM 859 CH2 TRP A 61 -6.115 -5.593 0.507 1.00 0.00 C ATOM 0 H TRP A 61 -2.592 -1.315 -4.299 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.645 0.002 -1.908 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.412 -2.657 -2.593 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.331 -2.099 -0.934 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.493 -1.097 -2.787 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.503 -2.482 -1.947 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -2.924 -4.517 0.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -7.897 -4.734 -0.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.194 -6.266 1.193 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -6.646 -6.371 1.035 1.00 0.00 H new ATOM 870 N GLY A 62 -1.248 0.059 -0.617 1.00 0.00 N ATOM 871 CA GLY A 62 -0.022 0.638 -0.101 1.00 0.00 C ATOM 872 C GLY A 62 0.576 -0.177 1.029 1.00 0.00 C ATOM 873 O GLY A 62 -0.130 -0.576 1.955 1.00 0.00 O ATOM 0 H GLY A 62 -1.864 -0.341 0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.705 0.720 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.222 1.650 0.252 1.00 0.00 H new ATOM 877 N GLY A 63 1.880 -0.424 0.954 1.00 0.00 N ATOM 878 CA GLY A 63 2.546 -1.195 1.987 1.00 0.00 C ATOM 879 C GLY A 63 4.025 -1.389 1.711 1.00 0.00 C ATOM 880 O GLY A 63 4.679 -0.513 1.145 1.00 0.00 O ATOM 0 H GLY A 63 2.486 -0.105 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.422 -0.692 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.066 -2.170 2.074 1.00 0.00 H new ATOM 884 N SER A 64 4.550 -2.542 2.114 1.00 0.00 N ATOM 885 CA SER A 64 5.958 -2.859 1.912 1.00 0.00 C ATOM 886 C SER A 64 6.164 -4.367 1.934 1.00 0.00 C ATOM 887 O SER A 64 5.391 -5.093 2.555 1.00 0.00 O ATOM 888 CB SER A 64 6.814 -2.196 2.992 1.00 0.00 C ATOM 889 OG SER A 64 6.068 -1.987 4.178 1.00 0.00 O ATOM 0 H SER A 64 4.018 -3.274 2.584 1.00 0.00 H new ATOM 0 HA SER A 64 6.265 -2.475 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.680 -2.822 3.209 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.194 -1.243 2.625 1.00 0.00 H new ATOM 0 HG SER A 64 6.639 -1.564 4.853 1.00 0.00 H new ATOM 895 N VAL A 65 7.208 -4.837 1.263 1.00 0.00 N ATOM 896 CA VAL A 65 7.499 -6.253 1.219 1.00 0.00 C ATOM 897 C VAL A 65 8.234 -6.688 2.469 1.00 0.00 C ATOM 898 O VAL A 65 8.866 -5.888 3.159 1.00 0.00 O ATOM 899 CB VAL A 65 8.338 -6.668 -0.016 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.655 -7.795 -0.777 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.606 -5.487 -0.940 1.00 0.00 C ATOM 0 H VAL A 65 7.864 -4.253 0.744 1.00 0.00 H new ATOM 0 HA VAL A 65 6.531 -6.750 1.150 1.00 0.00 H new ATOM 0 HB VAL A 65 9.300 -7.026 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.261 -8.071 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.541 -8.659 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.673 -7.463 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.197 -5.820 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.659 -5.078 -1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.154 -4.717 -0.397 1.00 0.00 H new ATOM 911 N GLN A 66 8.135 -7.966 2.739 1.00 0.00 N ATOM 912 CA GLN A 66 8.779 -8.567 3.903 1.00 0.00 C ATOM 913 C GLN A 66 10.299 -8.536 3.764 1.00 0.00 C ATOM 914 O GLN A 66 10.827 -8.331 2.671 1.00 0.00 O ATOM 915 CB GLN A 66 8.298 -10.010 4.090 1.00 0.00 C ATOM 916 CG GLN A 66 8.836 -10.980 3.046 1.00 0.00 C ATOM 917 CD GLN A 66 9.454 -12.219 3.665 1.00 0.00 C ATOM 918 OE1 GLN A 66 8.956 -12.744 4.661 1.00 0.00 O ATOM 919 NE2 GLN A 66 10.546 -12.693 3.076 1.00 0.00 N ATOM 0 H GLN A 66 7.609 -8.626 2.166 1.00 0.00 H new ATOM 0 HA GLN A 66 8.503 -7.983 4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.595 -10.356 5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.209 -10.026 4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.026 -11.277 2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.582 -10.473 2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.925 -12.226 2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.006 -13.524 3.448 1.00 0.00 H new ATOM 928 N GLY A 67 10.997 -8.745 4.876 1.00 0.00 N ATOM 929 CA GLY A 67 12.448 -8.743 4.852 1.00 0.00 C ATOM 930 C GLY A 67 13.045 -7.513 5.507 1.00 0.00 C ATOM 931 O GLY A 67 12.369 -6.498 5.675 1.00 0.00 O ATOM 0 H GLY A 67 10.584 -8.916 5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.816 -9.634 5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.790 -8.801 3.819 1.00 0.00 H new ATOM 935 N ASP A 68 14.319 -7.606 5.874 1.00 0.00 N ATOM 936 CA ASP A 68 15.018 -6.497 6.512 1.00 0.00 C ATOM 937 C ASP A 68 16.508 -6.541 6.187 1.00 0.00 C ATOM 938 O ASP A 68 17.310 -7.051 6.969 1.00 0.00 O ATOM 939 CB ASP A 68 14.814 -6.539 8.028 1.00 0.00 C ATOM 940 CG ASP A 68 13.521 -5.873 8.456 1.00 0.00 C ATOM 941 OD1 ASP A 68 13.052 -4.967 7.735 1.00 0.00 O ATOM 942 OD2 ASP A 68 12.977 -6.257 9.513 1.00 0.00 O ATOM 0 H ASP A 68 14.890 -8.441 5.740 1.00 0.00 H new ATOM 0 HA ASP A 68 14.603 -5.566 6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.814 -7.576 8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.653 -6.046 8.519 1.00 0.00 H new ATOM 947 N TYR A 69 16.870 -6.007 5.025 1.00 0.00 N ATOM 948 CA TYR A 69 18.263 -5.987 4.590 1.00 0.00 C ATOM 949 C TYR A 69 19.143 -5.262 5.604 1.00 0.00 C ATOM 950 O TYR A 69 18.683 -4.369 6.315 1.00 0.00 O ATOM 951 CB TYR A 69 18.381 -5.314 3.222 1.00 0.00 C ATOM 952 CG TYR A 69 18.040 -6.226 2.065 1.00 0.00 C ATOM 953 CD1 TYR A 69 16.803 -6.855 1.991 1.00 0.00 C ATOM 954 CD2 TYR A 69 18.954 -6.456 1.045 1.00 0.00 C ATOM 955 CE1 TYR A 69 16.488 -7.688 0.935 1.00 0.00 C ATOM 956 CE2 TYR A 69 18.646 -7.288 -0.015 1.00 0.00 C ATOM 957 CZ TYR A 69 17.412 -7.901 -0.065 1.00 0.00 C ATOM 958 OH TYR A 69 17.102 -8.729 -1.119 1.00 0.00 O ATOM 0 H TYR A 69 16.217 -5.582 4.367 1.00 0.00 H new ATOM 0 HA TYR A 69 18.607 -7.018 4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 69 17.722 -4.446 3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 69 19.399 -4.945 3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 69 16.076 -6.690 2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 69 19.921 -5.977 1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 69 15.522 -8.170 0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 69 19.368 -7.457 -0.800 1.00 0.00 H new ATOM 0 HH TYR A 69 17.862 -8.770 -1.737 1.00 0.00 H new ATOM 968 N TYR A 70 20.412 -5.653 5.662 1.00 0.00 N ATOM 969 CA TYR A 70 21.360 -5.041 6.585 1.00 0.00 C ATOM 970 C TYR A 70 21.925 -3.747 6.006 1.00 0.00 C ATOM 971 O TYR A 70 21.901 -3.537 4.793 1.00 0.00 O ATOM 972 CB TYR A 70 22.501 -6.012 6.896 1.00 0.00 C ATOM 973 CG TYR A 70 22.133 -7.078 7.905 1.00 0.00 C ATOM 974 CD1 TYR A 70 21.379 -8.183 7.533 1.00 0.00 C ATOM 975 CD2 TYR A 70 22.543 -6.978 9.229 1.00 0.00 C ATOM 976 CE1 TYR A 70 21.042 -9.159 8.451 1.00 0.00 C ATOM 977 CE2 TYR A 70 22.210 -7.951 10.153 1.00 0.00 C ATOM 978 CZ TYR A 70 21.460 -9.038 9.760 1.00 0.00 C ATOM 979 OH TYR A 70 21.127 -10.008 10.677 1.00 0.00 O ATOM 0 H TYR A 70 20.807 -6.392 5.080 1.00 0.00 H new ATOM 0 HA TYR A 70 20.829 -4.806 7.508 1.00 0.00 H new ATOM 0 HB2 TYR A 70 22.819 -6.494 5.971 1.00 0.00 H new ATOM 0 HB3 TYR A 70 23.355 -5.448 7.271 1.00 0.00 H new ATOM 0 HD1 TYR A 70 21.050 -8.281 6.509 1.00 0.00 H new ATOM 0 HD2 TYR A 70 23.131 -6.127 9.541 1.00 0.00 H new ATOM 0 HE1 TYR A 70 20.454 -10.012 8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 70 22.536 -7.859 11.178 1.00 0.00 H new ATOM 0 HH TYR A 70 21.500 -9.772 11.552 1.00 0.00 H new ATOM 989 N GLY A 71 22.433 -2.885 6.881 1.00 0.00 N ATOM 990 CA GLY A 71 22.997 -1.623 6.436 1.00 0.00 C ATOM 991 C GLY A 71 22.002 -0.782 5.661 1.00 0.00 C ATOM 992 O GLY A 71 22.383 -0.013 4.779 1.00 0.00 O ATOM 0 H GLY A 71 22.464 -3.037 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 71 23.347 -1.060 7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 71 23.867 -1.819 5.810 1.00 0.00 H new ATOM 996 N ASP A 72 20.722 -0.928 5.991 1.00 0.00 N ATOM 997 CA ASP A 72 19.667 -0.177 5.322 1.00 0.00 C ATOM 998 C ASP A 72 18.302 -0.536 5.896 1.00 0.00 C ATOM 999 O ASP A 72 17.423 -1.025 5.186 1.00 0.00 O ATOM 1000 CB ASP A 72 19.692 -0.445 3.815 1.00 0.00 C ATOM 1001 CG ASP A 72 19.342 0.787 3.003 1.00 0.00 C ATOM 1002 OD1 ASP A 72 19.711 1.902 3.426 1.00 0.00 O ATOM 1003 OD2 ASP A 72 18.698 0.636 1.943 1.00 0.00 O ATOM 0 H ASP A 72 20.391 -1.561 6.719 1.00 0.00 H new ATOM 0 HA ASP A 72 19.846 0.885 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 72 20.683 -0.797 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.989 -1.244 3.579 1.00 0.00 H new ATOM 1008 N LEU A 73 18.134 -0.288 7.189 1.00 0.00 N ATOM 1009 CA LEU A 73 16.878 -0.581 7.869 1.00 0.00 C ATOM 1010 C LEU A 73 15.745 0.274 7.312 1.00 0.00 C ATOM 1011 O LEU A 73 15.968 1.147 6.474 1.00 0.00 O ATOM 1012 CB LEU A 73 17.020 -0.343 9.374 1.00 0.00 C ATOM 1013 CG LEU A 73 18.239 -1.002 10.022 1.00 0.00 C ATOM 1014 CD1 LEU A 73 18.356 -0.588 11.481 1.00 0.00 C ATOM 1015 CD2 LEU A 73 18.154 -2.516 9.900 1.00 0.00 C ATOM 0 H LEU A 73 18.853 0.116 7.789 1.00 0.00 H new ATOM 0 HA LEU A 73 16.637 -1.630 7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.068 0.731 9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 73 16.121 -0.709 9.871 1.00 0.00 H new ATOM 0 HG LEU A 73 19.133 -0.665 9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.229 -1.066 11.926 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.464 0.495 11.544 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.460 -0.896 12.019 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.029 -2.968 10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.253 -2.871 10.399 1.00 0.00 H new ATOM 0 HD23 LEU A 73 18.119 -2.795 8.847 1.00 0.00 H new ATOM 1027 N ALA A 74 14.530 0.017 7.784 1.00 0.00 N ATOM 1028 CA ALA A 74 13.361 0.763 7.333 1.00 0.00 C ATOM 1029 C ALA A 74 13.149 0.595 5.833 1.00 0.00 C ATOM 1030 O ALA A 74 13.637 1.393 5.033 1.00 0.00 O ATOM 1031 CB ALA A 74 13.509 2.236 7.685 1.00 0.00 C ATOM 0 H ALA A 74 14.329 -0.702 8.479 1.00 0.00 H new ATOM 0 HA ALA A 74 12.485 0.364 7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.630 2.782 7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.606 2.344 8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.398 2.639 7.199 1.00 0.00 H new ATOM 1037 N ALA A 75 12.417 -0.450 5.458 1.00 0.00 N ATOM 1038 CA ALA A 75 12.140 -0.723 4.053 1.00 0.00 C ATOM 1039 C ALA A 75 11.398 0.439 3.402 1.00 0.00 C ATOM 1040 O ALA A 75 10.853 1.303 4.090 1.00 0.00 O ATOM 1041 CB ALA A 75 11.336 -2.008 3.915 1.00 0.00 C ATOM 0 H ALA A 75 12.006 -1.121 6.107 1.00 0.00 H new ATOM 0 HA ALA A 75 13.093 -0.844 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.136 -2.200 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.903 -2.839 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.392 -1.906 4.451 1.00 0.00 H new ATOM 1047 N ARG A 76 11.380 0.454 2.074 1.00 0.00 N ATOM 1048 CA ARG A 76 10.704 1.510 1.330 1.00 0.00 C ATOM 1049 C ARG A 76 9.304 1.071 0.913 1.00 0.00 C ATOM 1050 O ARG A 76 9.145 0.195 0.063 1.00 0.00 O ATOM 1051 CB ARG A 76 11.520 1.897 0.095 1.00 0.00 C ATOM 1052 CG ARG A 76 12.621 2.904 0.385 1.00 0.00 C ATOM 1053 CD ARG A 76 13.987 2.239 0.438 1.00 0.00 C ATOM 1054 NE ARG A 76 15.073 3.205 0.288 1.00 0.00 N ATOM 1055 CZ ARG A 76 15.481 4.018 1.259 1.00 0.00 C ATOM 1056 NH1 ARG A 76 14.898 3.985 2.451 1.00 0.00 N ATOM 1057 NH2 ARG A 76 16.476 4.867 1.038 1.00 0.00 N ATOM 0 H ARG A 76 11.826 -0.254 1.490 1.00 0.00 H new ATOM 0 HA ARG A 76 10.613 2.378 1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.964 0.998 -0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.850 2.311 -0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.621 3.676 -0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.420 3.400 1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.098 1.714 1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.056 1.490 -0.351 1.00 0.00 H new ATOM 0 HE ARG A 76 15.546 3.259 -0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.133 3.334 2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.215 4.611 3.191 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.928 4.896 0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.789 5.490 1.782 1.00 0.00 H new ATOM 1071 N LEU A 77 8.293 1.684 1.519 1.00 0.00 N ATOM 1072 CA LEU A 77 6.905 1.356 1.213 1.00 0.00 C ATOM 1073 C LEU A 77 6.582 1.658 -0.247 1.00 0.00 C ATOM 1074 O LEU A 77 7.158 2.566 -0.846 1.00 0.00 O ATOM 1075 CB LEU A 77 5.960 2.136 2.131 1.00 0.00 C ATOM 1076 CG LEU A 77 5.396 1.336 3.307 1.00 0.00 C ATOM 1077 CD1 LEU A 77 6.191 1.614 4.573 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.924 1.663 3.517 1.00 0.00 C ATOM 0 H LEU A 77 8.409 2.411 2.225 1.00 0.00 H new ATOM 0 HA LEU A 77 6.765 0.288 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.492 3.003 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.129 2.514 1.536 1.00 0.00 H new ATOM 0 HG LEU A 77 5.483 0.275 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.775 1.036 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.232 1.329 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.137 2.676 4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.539 1.085 4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.814 2.727 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.363 1.412 2.617 1.00 0.00 H new ATOM 1090 N GLY A 78 5.655 0.891 -0.812 1.00 0.00 N ATOM 1091 CA GLY A 78 5.267 1.091 -2.196 1.00 0.00 C ATOM 1092 C GLY A 78 3.778 0.907 -2.411 1.00 0.00 C ATOM 1093 O GLY A 78 3.044 0.592 -1.474 1.00 0.00 O ATOM 0 H GLY A 78 5.165 0.134 -0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.555 2.094 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.812 0.390 -2.828 1.00 0.00 H new ATOM 1097 N TYR A 79 3.330 1.105 -3.646 1.00 0.00 N ATOM 1098 CA TYR A 79 1.917 0.958 -3.977 1.00 0.00 C ATOM 1099 C TYR A 79 1.721 -0.065 -5.090 1.00 0.00 C ATOM 1100 O TYR A 79 2.370 0.006 -6.134 1.00 0.00 O ATOM 1101 CB TYR A 79 1.327 2.306 -4.396 1.00 0.00 C ATOM 1102 CG TYR A 79 1.482 3.386 -3.350 1.00 0.00 C ATOM 1103 CD1 TYR A 79 0.614 3.461 -2.267 1.00 0.00 C ATOM 1104 CD2 TYR A 79 2.497 4.329 -3.443 1.00 0.00 C ATOM 1105 CE1 TYR A 79 0.753 4.446 -1.308 1.00 0.00 C ATOM 1106 CE2 TYR A 79 2.644 5.316 -2.488 1.00 0.00 C ATOM 1107 CZ TYR A 79 1.770 5.370 -1.423 1.00 0.00 C ATOM 1108 OH TYR A 79 1.912 6.352 -0.469 1.00 0.00 O ATOM 0 H TYR A 79 3.923 1.367 -4.433 1.00 0.00 H new ATOM 0 HA TYR A 79 1.397 0.602 -3.088 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.808 2.633 -5.318 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.268 2.176 -4.618 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.182 2.737 -2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.183 4.290 -4.276 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.069 4.492 -0.473 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.439 6.042 -2.575 1.00 0.00 H new ATOM 0 HH TYR A 79 2.677 6.921 -0.697 1.00 0.00 H new ATOM 1118 N PHE A 80 0.824 -1.019 -4.860 1.00 0.00 N ATOM 1119 CA PHE A 80 0.546 -2.058 -5.845 1.00 0.00 C ATOM 1120 C PHE A 80 -0.818 -2.698 -5.601 1.00 0.00 C ATOM 1121 O PHE A 80 -1.344 -2.653 -4.490 1.00 0.00 O ATOM 1122 CB PHE A 80 1.638 -3.128 -5.807 1.00 0.00 C ATOM 1123 CG PHE A 80 1.975 -3.590 -4.417 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.057 -4.313 -3.672 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.209 -3.302 -3.857 1.00 0.00 C ATOM 1126 CE1 PHE A 80 1.363 -4.739 -2.393 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.521 -3.725 -2.578 1.00 0.00 C ATOM 1128 CZ PHE A 80 2.597 -4.444 -1.846 1.00 0.00 C ATOM 0 H PHE A 80 0.278 -1.094 -4.002 1.00 0.00 H new ATOM 0 HA PHE A 80 0.533 -1.592 -6.830 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.317 -3.985 -6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.538 -2.734 -6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.091 -4.546 -4.096 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.936 -2.741 -4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.639 -5.301 -1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.486 -3.493 -2.152 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.839 -4.775 -0.847 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.409 -3.308 -6.643 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.717 -3.964 -6.540 1.00 0.00 C ATOM 1140 C PRO A 81 -2.694 -5.155 -5.589 1.00 0.00 C ATOM 1141 O PRO A 81 -1.629 -5.645 -5.217 1.00 0.00 O ATOM 1142 CB PRO A 81 -3.005 -4.431 -7.972 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.671 -4.497 -8.631 1.00 0.00 C ATOM 1144 CD PRO A 81 -0.848 -3.410 -8.002 1.00 0.00 C ATOM 0 HA PRO A 81 -3.475 -3.291 -6.139 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.497 -5.404 -7.979 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.667 -3.736 -8.489 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.209 -5.473 -8.481 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.759 -4.347 -9.707 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.211 -3.667 -7.982 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.938 -2.470 -8.547 1.00 0.00 H new ATOM 1152 N SER A 82 -3.877 -5.616 -5.199 1.00 0.00 N ATOM 1153 CA SER A 82 -3.993 -6.751 -4.293 1.00 0.00 C ATOM 1154 C SER A 82 -3.886 -8.067 -5.057 1.00 0.00 C ATOM 1155 O SER A 82 -3.367 -9.056 -4.542 1.00 0.00 O ATOM 1156 CB SER A 82 -5.320 -6.692 -3.536 1.00 0.00 C ATOM 1157 OG SER A 82 -5.163 -7.125 -2.196 1.00 0.00 O ATOM 0 H SER A 82 -4.769 -5.221 -5.496 1.00 0.00 H new ATOM 0 HA SER A 82 -3.173 -6.700 -3.577 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.705 -5.672 -3.549 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.057 -7.317 -4.039 1.00 0.00 H new ATOM 0 HG SER A 82 -5.472 -6.422 -1.587 1.00 0.00 H new ATOM 1163 N SER A 83 -4.385 -8.071 -6.290 1.00 0.00 N ATOM 1164 CA SER A 83 -4.353 -9.261 -7.131 1.00 0.00 C ATOM 1165 C SER A 83 -2.944 -9.843 -7.218 1.00 0.00 C ATOM 1166 O SER A 83 -2.769 -11.058 -7.314 1.00 0.00 O ATOM 1167 CB SER A 83 -4.867 -8.930 -8.533 1.00 0.00 C ATOM 1168 OG SER A 83 -6.165 -8.364 -8.481 1.00 0.00 O ATOM 0 H SER A 83 -4.818 -7.259 -6.729 1.00 0.00 H new ATOM 0 HA SER A 83 -5.002 -10.009 -6.676 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.183 -8.235 -9.019 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.886 -9.835 -9.140 1.00 0.00 H new ATOM 0 HG SER A 83 -6.470 -8.160 -9.390 1.00 0.00 H new ATOM 1174 N ILE A 84 -1.942 -8.969 -7.189 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.549 -9.399 -7.268 1.00 0.00 C ATOM 1176 C ILE A 84 -0.094 -10.080 -5.976 1.00 0.00 C ATOM 1177 O ILE A 84 0.991 -10.658 -5.923 1.00 0.00 O ATOM 1178 CB ILE A 84 0.386 -8.209 -7.575 1.00 0.00 C ATOM 1179 CG1 ILE A 84 1.837 -8.683 -7.723 1.00 0.00 C ATOM 1180 CG2 ILE A 84 0.277 -7.152 -6.486 1.00 0.00 C ATOM 1181 CD1 ILE A 84 2.007 -9.825 -8.702 1.00 0.00 C ATOM 0 H ILE A 84 -2.068 -7.960 -7.111 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.489 -10.121 -8.083 1.00 0.00 H new ATOM 0 HB ILE A 84 0.075 -7.764 -8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.453 -7.844 -8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.210 -8.994 -6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.942 -6.321 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.750 -6.791 -6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.560 -7.587 -5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.059 -10.106 -8.754 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.419 -10.680 -8.369 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.666 -9.512 -9.689 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.924 -10.013 -4.938 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.597 -10.629 -3.656 1.00 0.00 C ATOM 1195 C VAL A 85 -1.819 -11.316 -3.051 1.00 0.00 C ATOM 1196 O VAL A 85 -2.906 -11.292 -3.628 1.00 0.00 O ATOM 1197 CB VAL A 85 -0.060 -9.590 -2.654 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.376 -9.216 -2.989 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.950 -8.356 -2.632 1.00 0.00 C ATOM 0 H VAL A 85 -1.827 -9.539 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 85 0.178 -11.371 -3.849 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.072 -10.034 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.738 -8.481 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.004 -10.106 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.417 -8.793 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.554 -7.634 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.975 -7.908 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.960 -8.641 -2.337 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.632 -11.927 -1.887 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.717 -12.619 -1.202 1.00 0.00 C ATOM 1211 C ARG A 86 -2.592 -12.457 0.310 1.00 0.00 C ATOM 1212 O ARG A 86 -1.695 -13.027 0.932 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.721 -14.103 -1.574 1.00 0.00 C ATOM 1214 CG ARG A 86 -4.078 -14.609 -2.037 1.00 0.00 C ATOM 1215 CD ARG A 86 -4.448 -15.923 -1.366 1.00 0.00 C ATOM 1216 NE ARG A 86 -5.841 -15.938 -0.924 1.00 0.00 N ATOM 1217 CZ ARG A 86 -6.328 -16.806 -0.040 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -5.541 -17.729 0.498 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -7.607 -16.749 0.308 1.00 0.00 N ATOM 0 H ARG A 86 -0.738 -11.957 -1.397 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.660 -12.174 -1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.990 -14.273 -2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.400 -14.686 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.840 -13.861 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.066 -14.743 -3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.279 -16.745 -2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.794 -16.090 -0.510 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.477 -15.243 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.557 -17.776 0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.920 -18.391 1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.216 -16.041 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.981 -17.414 0.985 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.494 -11.677 0.896 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.480 -11.441 2.335 1.00 0.00 C ATOM 1235 C GLU A 87 -3.851 -12.706 3.099 1.00 0.00 C ATOM 1236 O GLU A 87 -4.926 -13.272 2.900 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.444 -10.310 2.697 1.00 0.00 C ATOM 1238 CG GLU A 87 -5.858 -10.528 2.183 1.00 0.00 C ATOM 1239 CD GLU A 87 -6.215 -9.590 1.046 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -5.526 -9.629 0.005 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -7.186 -8.818 1.196 1.00 0.00 O ATOM 0 H GLU A 87 -4.244 -11.198 0.397 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.468 -11.152 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.473 -10.202 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.060 -9.373 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.963 -11.559 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.564 -10.387 3.001 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.954 -13.144 3.976 1.00 0.00 N ATOM 1249 CA ASP A 88 -3.186 -14.341 4.773 1.00 0.00 C ATOM 1250 C ASP A 88 -3.347 -13.989 6.243 1.00 0.00 C ATOM 1251 O ASP A 88 -4.284 -14.436 6.905 1.00 0.00 O ATOM 1252 CB ASP A 88 -2.034 -15.333 4.591 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.523 -16.732 4.268 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -2.876 -17.470 5.212 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -2.552 -17.089 3.072 1.00 0.00 O ATOM 0 H ASP A 88 -2.059 -12.687 4.152 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.110 -14.806 4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.381 -14.985 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.435 -15.361 5.501 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.423 -13.188 6.743 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.434 -12.765 8.125 1.00 0.00 C ATOM 1262 C GLN A 89 -2.900 -11.320 8.234 1.00 0.00 C ATOM 1263 O GLN A 89 -2.662 -10.517 7.333 1.00 0.00 O ATOM 1264 CB GLN A 89 -1.029 -12.905 8.682 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.963 -12.908 10.200 1.00 0.00 C ATOM 1266 CD GLN A 89 0.095 -13.852 10.735 1.00 0.00 C ATOM 1267 OE1 GLN A 89 -0.175 -14.674 11.610 1.00 0.00 O ATOM 1268 NE2 GLN A 89 1.309 -13.738 10.209 1.00 0.00 N ATOM 0 H GLN A 89 -1.645 -12.814 6.199 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.125 -13.387 8.695 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.592 -13.831 8.308 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.416 -12.087 8.304 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.755 -11.898 10.553 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.935 -13.193 10.602 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.488 -13.042 9.485 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.063 -14.347 10.529 1.00 0.00 H new ATOM 1277 N THR A 90 -3.562 -10.989 9.335 1.00 0.00 N ATOM 1278 CA THR A 90 -4.050 -9.633 9.534 1.00 0.00 C ATOM 1279 C THR A 90 -3.826 -9.158 10.961 1.00 0.00 C ATOM 1280 O THR A 90 -3.829 -9.947 11.905 1.00 0.00 O ATOM 1281 CB THR A 90 -5.529 -9.528 9.182 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.250 -10.638 9.685 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.785 -9.445 7.694 1.00 0.00 C ATOM 0 H THR A 90 -3.771 -11.635 10.096 1.00 0.00 H new ATOM 0 HA THR A 90 -3.479 -8.988 8.866 1.00 0.00 H new ATOM 0 HB THR A 90 -5.868 -8.601 9.644 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.197 -10.548 9.448 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.857 -9.372 7.513 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.288 -8.564 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.395 -10.339 7.207 1.00 0.00 H new ATOM 1291 N LEU A 91 -3.632 -7.853 11.099 1.00 0.00 N ATOM 1292 CA LEU A 91 -3.404 -7.240 12.397 1.00 0.00 C ATOM 1293 C LEU A 91 -3.896 -5.797 12.396 1.00 0.00 C ATOM 1294 O LEU A 91 -3.316 -4.931 13.050 1.00 0.00 O ATOM 1295 CB LEU A 91 -1.916 -7.287 12.747 1.00 0.00 C ATOM 1296 CG LEU A 91 -1.606 -7.511 14.228 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -0.106 -7.464 14.473 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -2.321 -6.475 15.084 1.00 0.00 C ATOM 0 H LEU A 91 -3.628 -7.195 10.319 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.962 -7.799 13.149 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.447 -8.083 12.169 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.455 -6.351 12.432 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.968 -8.500 14.510 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.095 -7.625 15.532 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.383 -8.243 13.888 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.281 -6.490 14.175 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.090 -6.649 16.135 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.989 -5.476 14.800 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.397 -6.557 14.931 1.00 0.00 H new ATOM 1310 N LYS A 92 -4.967 -5.546 11.648 1.00 0.00 N ATOM 1311 CA LYS A 92 -5.538 -4.206 11.550 1.00 0.00 C ATOM 1312 C LYS A 92 -6.603 -3.973 12.620 1.00 0.00 C ATOM 1313 O LYS A 92 -7.714 -4.496 12.520 1.00 0.00 O ATOM 1314 CB LYS A 92 -6.153 -3.990 10.165 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.018 -5.148 9.695 1.00 0.00 C ATOM 1316 CD LYS A 92 -8.027 -4.702 8.649 1.00 0.00 C ATOM 1317 CE LYS A 92 -7.476 -4.859 7.241 1.00 0.00 C ATOM 1318 NZ LYS A 92 -8.537 -4.706 6.208 1.00 0.00 N ATOM 0 H LYS A 92 -5.457 -6.253 11.101 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.729 -3.493 11.707 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.755 -3.081 10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.353 -3.829 9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.384 -5.932 9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.543 -5.581 10.547 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.941 -5.287 8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.295 -3.660 8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.696 -4.117 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.011 -5.840 7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.120 -4.820 5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.270 -5.430 6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.964 -3.761 6.286 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.290 -3.171 13.655 1.00 0.00 N ATOM 1333 CA PRO A 93 -7.240 -2.867 14.726 1.00 0.00 C ATOM 1334 C PRO A 93 -8.298 -1.866 14.274 1.00 0.00 C ATOM 1335 O PRO A 93 -9.398 -1.814 14.824 1.00 0.00 O ATOM 1336 CB PRO A 93 -6.356 -2.260 15.813 1.00 0.00 C ATOM 1337 CG PRO A 93 -5.234 -1.626 15.068 1.00 0.00 C ATOM 1338 CD PRO A 93 -4.996 -2.487 13.856 1.00 0.00 C ATOM 0 HA PRO A 93 -7.795 -3.746 15.054 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.903 -1.527 16.406 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.994 -3.023 16.503 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.486 -0.606 14.778 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.339 -1.569 15.687 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.720 -1.889 12.988 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.188 -3.199 14.023 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.953 -1.072 13.262 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.876 -0.082 12.741 1.00 0.00 C ATOM 1348 C GLY A 94 -8.931 -0.088 11.225 1.00 0.00 C ATOM 1349 O GLY A 94 -8.140 -0.767 10.572 1.00 0.00 O ATOM 0 H GLY A 94 -7.047 -1.099 12.794 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.873 -0.272 13.139 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.578 0.907 13.088 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.864 0.672 10.663 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.013 0.762 9.226 1.00 0.00 C ATOM 1355 C LYS A 95 -10.596 2.115 8.837 1.00 0.00 C ATOM 1356 O LYS A 95 -11.576 2.195 8.096 1.00 0.00 O ATOM 1357 CB LYS A 95 -10.895 -0.374 8.701 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.211 -0.519 9.450 1.00 0.00 C ATOM 1359 CD LYS A 95 -12.637 -1.976 9.557 1.00 0.00 C ATOM 1360 CE LYS A 95 -14.004 -2.206 8.933 1.00 0.00 C ATOM 1361 NZ LYS A 95 -14.417 -3.635 9.011 1.00 0.00 N ATOM 0 H LYS A 95 -10.530 1.236 11.190 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.027 0.665 8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.104 -0.202 7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.343 -1.312 8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.111 -0.094 10.449 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.986 0.051 8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.900 -2.609 9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.660 -2.273 10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.743 -1.586 9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.985 -1.890 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.354 -3.750 8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.725 -4.224 8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.460 -3.930 10.007 1.00 0.00 H new ATOM 1375 N VAL A 96 -9.991 3.176 9.352 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.448 4.528 9.075 1.00 0.00 C ATOM 1377 C VAL A 96 -9.903 5.022 7.747 1.00 0.00 C ATOM 1378 O VAL A 96 -8.756 4.759 7.397 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.027 5.511 10.181 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -10.703 6.858 9.984 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -10.344 4.943 11.557 1.00 0.00 C ATOM 0 H VAL A 96 -9.179 3.125 9.967 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.537 4.488 9.035 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.949 5.658 10.116 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.393 7.540 10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.417 7.271 9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.785 6.731 10.018 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.038 5.655 12.324 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.416 4.761 11.638 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.806 4.006 11.697 1.00 0.00 H new ATOM 1391 N ASP A 97 -10.735 5.739 7.015 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.348 6.271 5.722 1.00 0.00 C ATOM 1393 C ASP A 97 -9.470 7.503 5.881 1.00 0.00 C ATOM 1394 O ASP A 97 -9.593 8.253 6.849 1.00 0.00 O ATOM 1395 CB ASP A 97 -11.588 6.612 4.896 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.256 6.901 3.445 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -10.335 6.252 2.907 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -11.917 7.776 2.848 1.00 0.00 O ATOM 0 H ASP A 97 -11.689 5.967 7.296 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.773 5.506 5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.294 5.783 4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.084 7.479 5.332 1.00 0.00 H new ATOM 1403 N VAL A 98 -8.580 7.695 4.921 1.00 0.00 N ATOM 1404 CA VAL A 98 -7.663 8.826 4.932 1.00 0.00 C ATOM 1405 C VAL A 98 -7.421 9.350 3.521 1.00 0.00 C ATOM 1406 O VAL A 98 -6.701 8.735 2.735 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.313 8.439 5.563 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.432 9.665 5.742 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -6.530 7.729 6.890 1.00 0.00 C ATOM 0 H VAL A 98 -8.472 7.077 4.117 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.127 9.609 5.531 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.802 7.752 4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.483 9.369 6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.248 10.125 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.933 10.381 6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.565 7.463 7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.064 8.390 7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.117 6.825 6.727 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.031 10.488 3.204 1.00 0.00 N ATOM 1420 CA LYS A 99 -7.884 11.091 1.885 1.00 0.00 C ATOM 1421 C LYS A 99 -6.453 11.570 1.658 1.00 0.00 C ATOM 1422 O LYS A 99 -5.854 12.205 2.526 1.00 0.00 O ATOM 1423 CB LYS A 99 -8.860 12.260 1.723 1.00 0.00 C ATOM 1424 CG LYS A 99 -9.630 12.230 0.411 1.00 0.00 C ATOM 1425 CD LYS A 99 -9.392 13.488 -0.411 1.00 0.00 C ATOM 1426 CE LYS A 99 -9.165 13.161 -1.878 1.00 0.00 C ATOM 1427 NZ LYS A 99 -7.716 13.133 -2.223 1.00 0.00 N ATOM 0 H LYS A 99 -8.631 11.010 3.842 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.113 10.330 1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.568 12.249 2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.307 13.197 1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.330 11.356 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.695 12.126 0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.249 14.155 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.527 14.022 -0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.612 12.194 -2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.672 13.901 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.570 13.587 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.176 13.645 -1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.389 12.147 -2.267 1.00 0.00 H new ATOM 1441 N THR A 100 -5.910 11.258 0.485 1.00 0.00 N ATOM 1442 CA THR A 100 -4.550 11.652 0.141 1.00 0.00 C ATOM 1443 C THR A 100 -4.496 13.117 -0.285 1.00 0.00 C ATOM 1444 O THR A 100 -5.524 13.725 -0.586 1.00 0.00 O ATOM 1445 CB THR A 100 -4.013 10.756 -0.977 1.00 0.00 C ATOM 1446 OG1 THR A 100 -2.617 10.936 -1.140 1.00 0.00 O ATOM 1447 CG2 THR A 100 -4.669 11.006 -2.319 1.00 0.00 C ATOM 0 H THR A 100 -6.393 10.733 -0.244 1.00 0.00 H new ATOM 0 HA THR A 100 -3.924 11.533 1.026 1.00 0.00 H new ATOM 0 HB THR A 100 -4.246 9.738 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.294 10.353 -1.858 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.240 10.336 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.740 10.822 -2.240 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.499 12.040 -2.620 1.00 0.00 H new ATOM 1455 N ASP A 101 -3.291 13.678 -0.308 1.00 0.00 N ATOM 1456 CA ASP A 101 -3.103 15.071 -0.697 1.00 0.00 C ATOM 1457 C ASP A 101 -2.833 15.188 -2.194 1.00 0.00 C ATOM 1458 O ASP A 101 -2.493 14.205 -2.852 1.00 0.00 O ATOM 1459 CB ASP A 101 -1.946 15.690 0.090 1.00 0.00 C ATOM 1460 CG ASP A 101 -2.394 16.277 1.414 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -3.002 15.537 2.216 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -2.137 17.477 1.649 1.00 0.00 O ATOM 0 H ASP A 101 -2.430 13.189 -0.062 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.021 15.612 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.186 14.930 0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.479 16.470 -0.510 1.00 0.00 H new ATOM 1467 N LYS A 102 -2.987 16.397 -2.724 1.00 0.00 N ATOM 1468 CA LYS A 102 -2.758 16.644 -4.143 1.00 0.00 C ATOM 1469 C LYS A 102 -1.287 16.455 -4.497 1.00 0.00 C ATOM 1470 O LYS A 102 -0.956 15.931 -5.560 1.00 0.00 O ATOM 1471 CB LYS A 102 -3.206 18.059 -4.514 1.00 0.00 C ATOM 1472 CG LYS A 102 -3.468 18.245 -6.001 1.00 0.00 C ATOM 1473 CD LYS A 102 -2.379 19.075 -6.662 1.00 0.00 C ATOM 1474 CE LYS A 102 -2.722 19.393 -8.108 1.00 0.00 C ATOM 1475 NZ LYS A 102 -3.042 18.164 -8.886 1.00 0.00 N ATOM 0 H LYS A 102 -3.269 17.221 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.346 15.923 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.114 18.300 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.441 18.768 -4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.528 17.270 -6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.433 18.731 -6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.240 20.003 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.433 18.535 -6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.573 20.074 -8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -1.884 19.910 -8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.121 18.403 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.285 17.463 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.944 17.767 -8.553 1.00 0.00 H new ATOM 1489 N TRP A 103 -0.408 16.888 -3.597 1.00 0.00 N ATOM 1490 CA TRP A 103 1.031 16.772 -3.806 1.00 0.00 C ATOM 1491 C TRP A 103 1.426 15.373 -4.261 1.00 0.00 C ATOM 1492 O TRP A 103 1.668 15.134 -5.444 1.00 0.00 O ATOM 1493 CB TRP A 103 1.768 17.142 -2.530 1.00 0.00 C ATOM 1494 CG TRP A 103 2.206 18.553 -2.560 1.00 0.00 C ATOM 1495 CD1 TRP A 103 1.785 19.556 -1.753 1.00 0.00 C ATOM 1496 CD2 TRP A 103 3.136 19.132 -3.475 1.00 0.00 C ATOM 1497 NE1 TRP A 103 2.403 20.714 -2.105 1.00 0.00 N ATOM 1498 CE2 TRP A 103 3.233 20.485 -3.146 1.00 0.00 C ATOM 1499 CE3 TRP A 103 3.900 18.641 -4.534 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 4.048 21.364 -3.817 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 4.724 19.520 -5.218 1.00 0.00 C ATOM 1502 CH2 TRP A 103 4.794 20.874 -4.854 1.00 0.00 C ATOM 0 H TRP A 103 -0.669 17.324 -2.713 1.00 0.00 H new ATOM 0 HA TRP A 103 1.312 17.463 -4.601 1.00 0.00 H new ATOM 0 HB2 TRP A 103 1.118 16.978 -1.670 1.00 0.00 H new ATOM 0 HB3 TRP A 103 2.634 16.492 -2.404 1.00 0.00 H new ATOM 0 HD1 TRP A 103 1.068 19.451 -0.952 1.00 0.00 H new ATOM 0 HE1 TRP A 103 2.262 21.617 -1.653 1.00 0.00 H new ATOM 0 HE3 TRP A 103 3.850 17.599 -4.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 4.098 22.406 -3.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 5.321 19.159 -6.043 1.00 0.00 H new ATOM 0 HH2 TRP A 103 5.446 21.539 -5.401 1.00 0.00 H new ATOM 1513 N ASP A 104 1.489 14.457 -3.309 1.00 0.00 N ATOM 1514 CA ASP A 104 1.855 13.073 -3.591 1.00 0.00 C ATOM 1515 C ASP A 104 3.301 12.978 -4.065 1.00 0.00 C ATOM 1516 O ASP A 104 3.569 12.901 -5.263 1.00 0.00 O ATOM 1517 CB ASP A 104 0.920 12.477 -4.647 1.00 0.00 C ATOM 1518 CG ASP A 104 1.086 10.976 -4.785 1.00 0.00 C ATOM 1519 OD1 ASP A 104 1.170 10.290 -3.745 1.00 0.00 O ATOM 1520 OD2 ASP A 104 1.131 10.487 -5.934 1.00 0.00 O ATOM 0 H ASP A 104 1.290 14.646 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 104 1.755 12.504 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.113 12.703 -4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.114 12.951 -5.609 1.00 0.00 H new ATOM 1525 N PHE A 105 4.230 12.985 -3.114 1.00 0.00 N ATOM 1526 CA PHE A 105 5.651 12.901 -3.432 1.00 0.00 C ATOM 1527 C PHE A 105 6.145 11.460 -3.338 1.00 0.00 C ATOM 1528 O PHE A 105 5.757 10.719 -2.435 1.00 0.00 O ATOM 1529 CB PHE A 105 6.459 13.791 -2.486 1.00 0.00 C ATOM 1530 CG PHE A 105 7.701 14.360 -3.110 1.00 0.00 C ATOM 1531 CD1 PHE A 105 7.619 15.386 -4.038 1.00 0.00 C ATOM 1532 CD2 PHE A 105 8.951 13.869 -2.769 1.00 0.00 C ATOM 1533 CE1 PHE A 105 8.760 15.912 -4.613 1.00 0.00 C ATOM 1534 CE2 PHE A 105 10.096 14.391 -3.341 1.00 0.00 C ATOM 1535 CZ PHE A 105 10.000 15.414 -4.264 1.00 0.00 C ATOM 0 H PHE A 105 4.024 13.048 -2.117 1.00 0.00 H new ATOM 0 HA PHE A 105 5.790 13.248 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 105 5.827 14.610 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.737 13.212 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.652 15.779 -4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.032 13.069 -2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.682 16.712 -5.335 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.064 13.999 -3.067 1.00 0.00 H new ATOM 0 HZ PHE A 105 10.893 15.824 -4.712 1.00 0.00 H new ATOM 1545 N TYR A 106 7.002 11.071 -4.276 1.00 0.00 N ATOM 1546 CA TYR A 106 7.549 9.719 -4.298 1.00 0.00 C ATOM 1547 C TYR A 106 8.733 9.625 -5.255 1.00 0.00 C ATOM 1548 O TYR A 106 8.684 10.142 -6.371 1.00 0.00 O ATOM 1549 CB TYR A 106 6.468 8.716 -4.704 1.00 0.00 C ATOM 1550 CG TYR A 106 6.775 7.295 -4.288 1.00 0.00 C ATOM 1551 CD1 TYR A 106 6.724 6.915 -2.953 1.00 0.00 C ATOM 1552 CD2 TYR A 106 7.116 6.334 -5.232 1.00 0.00 C ATOM 1553 CE1 TYR A 106 7.005 5.617 -2.570 1.00 0.00 C ATOM 1554 CE2 TYR A 106 7.397 5.034 -4.856 1.00 0.00 C ATOM 1555 CZ TYR A 106 7.340 4.681 -3.525 1.00 0.00 C ATOM 1556 OH TYR A 106 7.620 3.387 -3.147 1.00 0.00 O ATOM 0 H TYR A 106 7.333 11.672 -5.031 1.00 0.00 H new ATOM 0 HA TYR A 106 7.899 9.479 -3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.519 9.018 -4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.341 8.750 -5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.461 7.645 -2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.162 6.607 -6.276 1.00 0.00 H new ATOM 0 HE1 TYR A 106 6.962 5.337 -1.528 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.660 4.298 -5.602 1.00 0.00 H new ATOM 0 HH TYR A 106 7.615 3.323 -2.169 1.00 0.00 H new ATOM 1566 N CYS A 107 9.795 8.961 -4.810 1.00 0.00 N ATOM 1567 CA CYS A 107 10.993 8.797 -5.626 1.00 0.00 C ATOM 1568 C CYS A 107 11.578 10.152 -6.011 1.00 0.00 C ATOM 1569 O CYS A 107 11.355 10.644 -7.117 1.00 0.00 O ATOM 1570 CB CYS A 107 10.673 7.990 -6.885 1.00 0.00 C ATOM 1571 SG CYS A 107 12.114 7.679 -7.956 1.00 0.00 S ATOM 0 H CYS A 107 9.850 8.528 -3.888 1.00 0.00 H new ATOM 0 HA CYS A 107 11.733 8.256 -5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.240 7.034 -6.590 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.914 8.520 -7.460 1.00 0.00 H new ATOM 1576 N GLN A 108 12.329 10.749 -5.092 1.00 0.00 N ATOM 1577 CA GLN A 108 12.948 12.047 -5.334 1.00 0.00 C ATOM 1578 C GLN A 108 13.898 11.983 -6.526 1.00 0.00 C ATOM 1579 O GLN A 108 14.249 13.057 -7.061 1.00 0.00 O ATOM 1580 CB GLN A 108 13.705 12.515 -4.090 1.00 0.00 C ATOM 1581 CG GLN A 108 14.767 11.535 -3.620 1.00 0.00 C ATOM 1582 CD GLN A 108 15.398 11.946 -2.304 1.00 0.00 C ATOM 1583 OE1 GLN A 108 16.186 12.890 -2.248 1.00 0.00 O ATOM 1584 NE2 GLN A 108 15.055 11.236 -1.236 1.00 0.00 N ATOM 1585 OXT GLN A 108 14.282 10.861 -6.916 1.00 0.00 O ATOM 0 H GLN A 108 12.524 10.354 -4.172 1.00 0.00 H new ATOM 0 HA GLN A 108 12.157 12.762 -5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 108 14.176 13.475 -4.301 1.00 0.00 H new ATOM 0 HB3 GLN A 108 12.992 12.681 -3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 108 14.321 10.546 -3.512 1.00 0.00 H new ATOM 0 HG3 GLN A 108 15.543 11.453 -4.381 1.00 0.00 H new ATOM 0 HE21 GLN A 108 14.398 10.461 -1.328 1.00 0.00 H new ATOM 0 HE22 GLN A 108 15.449 11.465 -0.323 1.00 0.00 H new TER 1594 GLN A 108