USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 855 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 37 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 83 ASN : amide:sc= -0.187 X(o=-0.19,f=0.04) USER MOD Set 2.1: A 49 THR OG1 : rot 170:sc= -0.116 USER MOD Set 2.2: A 53 SER OG : rot 170:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -119:sc= 0.151 (180deg=-0.0317) USER MOD Single : A 19 SER OG : rot 111:sc= 1.69 USER MOD Single : A 20 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.3) USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.028) USER MOD Single : A 27 SER OG : rot -36:sc= -0.274 USER MOD Single : A 30 GLN : amide:sc= 0.543 K(o=0.54,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 37:sc= 0.319 USER MOD Single : A 46 ASN : amide:sc=-0.00494 X(o=-0.0049,f=-0.0049) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -140:sc= -1.87 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0791 USER MOD Single : A 65 SER OG : rot -139:sc= 0.686 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 140:sc= -0.819 (180deg=-3.04!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 150:sc= -0.33 USER MOD Single : A 74 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.465) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -64:sc= 0.231 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -4.27 K(o=-4.3,f=-3.1) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -172:sc= -4.82! (180deg=-5.11!) USER MOD Single : A 95 TYR OH : rot 0:sc= -1.57 USER MOD Single : A 96 HIS : no HD1:sc= -3.71 K(o=-3.7,f=-5.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0.541 K(o=0.54,f=-1.7!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.477 K(o=-0.48,f=1) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 70:sc= -1.28 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 118 THR OG1 : rot -168:sc= 0.461 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 9.959 -24.601 -6.143 1.00 0.00 N ATOM 67 CA ASP A 8 10.039 -23.556 -5.129 1.00 0.00 C ATOM 68 C ASP A 8 10.878 -22.382 -5.623 1.00 0.00 C ATOM 69 O ASP A 8 10.583 -21.226 -5.324 1.00 0.00 O ATOM 70 CB ASP A 8 10.633 -24.115 -3.835 1.00 0.00 C ATOM 71 CG ASP A 8 10.797 -23.052 -2.767 1.00 0.00 C ATOM 72 OD1 ASP A 8 10.137 -21.998 -2.873 1.00 0.00 O ATOM 73 OD2 ASP A 8 11.587 -23.274 -1.825 1.00 0.00 O ATOM 0 HA ASP A 8 9.028 -23.199 -4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.990 -24.910 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.603 -24.564 -4.048 1.00 0.00 H new ATOM 78 N GLU A 9 11.927 -22.689 -6.381 1.00 0.00 N ATOM 79 CA GLU A 9 12.810 -21.659 -6.915 1.00 0.00 C ATOM 80 C GLU A 9 12.017 -20.421 -7.323 1.00 0.00 C ATOM 81 O GLU A 9 12.406 -19.294 -7.018 1.00 0.00 O ATOM 82 CB GLU A 9 13.590 -22.197 -8.116 1.00 0.00 C ATOM 83 CG GLU A 9 14.587 -23.287 -7.756 1.00 0.00 C ATOM 84 CD GLU A 9 13.929 -24.640 -7.570 1.00 0.00 C ATOM 85 OE1 GLU A 9 12.966 -24.937 -8.308 1.00 0.00 O ATOM 86 OE2 GLU A 9 14.377 -25.402 -6.688 1.00 0.00 O ATOM 0 H GLU A 9 12.185 -23.642 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 9 13.513 -21.377 -6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.886 -22.589 -8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.121 -21.373 -8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.341 -23.358 -8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.107 -23.011 -6.839 1.00 0.00 H new ATOM 93 N GLU A 10 10.904 -20.640 -8.016 1.00 0.00 N ATOM 94 CA GLU A 10 10.057 -19.542 -8.467 1.00 0.00 C ATOM 95 C GLU A 10 9.324 -18.902 -7.292 1.00 0.00 C ATOM 96 O GLU A 10 9.148 -17.684 -7.244 1.00 0.00 O ATOM 97 CB GLU A 10 9.047 -20.040 -9.503 1.00 0.00 C ATOM 98 CG GLU A 10 9.550 -19.954 -10.934 1.00 0.00 C ATOM 99 CD GLU A 10 9.216 -18.629 -11.592 1.00 0.00 C ATOM 100 OE1 GLU A 10 9.385 -17.582 -10.933 1.00 0.00 O ATOM 101 OE2 GLU A 10 8.785 -18.640 -12.764 1.00 0.00 O ATOM 0 H GLU A 10 10.568 -21.567 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 10 10.697 -18.789 -8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.790 -21.075 -9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.130 -19.457 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.630 -20.098 -10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.114 -20.765 -11.518 1.00 0.00 H new ATOM 108 N THR A 11 8.897 -19.732 -6.346 1.00 0.00 N ATOM 109 CA THR A 11 8.181 -19.249 -5.171 1.00 0.00 C ATOM 110 C THR A 11 9.068 -18.349 -4.318 1.00 0.00 C ATOM 111 O THR A 11 8.631 -17.303 -3.839 1.00 0.00 O ATOM 112 CB THR A 11 7.669 -20.415 -4.306 1.00 0.00 C ATOM 113 OG1 THR A 11 6.795 -21.249 -5.076 1.00 0.00 O ATOM 114 CG2 THR A 11 6.934 -19.897 -3.079 1.00 0.00 C ATOM 0 H THR A 11 9.034 -20.742 -6.370 1.00 0.00 H new ATOM 0 HA THR A 11 7.329 -18.675 -5.534 1.00 0.00 H new ATOM 0 HB THR A 11 8.529 -20.998 -3.975 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.475 -21.989 -4.519 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.582 -20.739 -2.483 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.610 -19.287 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.083 -19.293 -3.393 1.00 0.00 H new ATOM 122 N LYS A 12 10.317 -18.763 -4.132 1.00 0.00 N ATOM 123 CA LYS A 12 11.268 -17.994 -3.338 1.00 0.00 C ATOM 124 C LYS A 12 11.443 -16.590 -3.907 1.00 0.00 C ATOM 125 O LYS A 12 11.466 -15.608 -3.166 1.00 0.00 O ATOM 126 CB LYS A 12 12.621 -18.709 -3.292 1.00 0.00 C ATOM 127 CG LYS A 12 12.637 -19.920 -2.375 1.00 0.00 C ATOM 128 CD LYS A 12 14.052 -20.283 -1.956 1.00 0.00 C ATOM 129 CE LYS A 12 14.190 -21.774 -1.693 1.00 0.00 C ATOM 130 NZ LYS A 12 14.230 -22.560 -2.957 1.00 0.00 N ATOM 0 H LYS A 12 10.694 -19.627 -4.521 1.00 0.00 H new ATOM 0 HA LYS A 12 10.873 -17.910 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.891 -19.023 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.384 -18.004 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.036 -19.715 -1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.178 -20.768 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.752 -19.984 -2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.320 -19.728 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.100 -21.959 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.354 -22.113 -1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.427 -23.220 -2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.171 -21.914 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.120 -23.096 -3.005 1.00 0.00 H new ATOM 144 N ALA A 13 11.563 -16.502 -5.228 1.00 0.00 N ATOM 145 CA ALA A 13 11.732 -15.218 -5.896 1.00 0.00 C ATOM 146 C ALA A 13 10.530 -14.311 -5.653 1.00 0.00 C ATOM 147 O ALA A 13 10.667 -13.089 -5.579 1.00 0.00 O ATOM 148 CB ALA A 13 11.946 -15.424 -7.389 1.00 0.00 C ATOM 0 H ALA A 13 11.546 -17.305 -5.856 1.00 0.00 H new ATOM 0 HA ALA A 13 12.613 -14.731 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.071 -14.457 -7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.839 -16.028 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.082 -15.935 -7.813 1.00 0.00 H new ATOM 154 N PHE A 14 9.354 -14.915 -5.528 1.00 0.00 N ATOM 155 CA PHE A 14 8.128 -14.161 -5.295 1.00 0.00 C ATOM 156 C PHE A 14 8.071 -13.646 -3.859 1.00 0.00 C ATOM 157 O PHE A 14 7.592 -12.541 -3.604 1.00 0.00 O ATOM 158 CB PHE A 14 6.904 -15.033 -5.583 1.00 0.00 C ATOM 159 CG PHE A 14 6.430 -14.948 -7.006 1.00 0.00 C ATOM 160 CD1 PHE A 14 5.824 -13.796 -7.481 1.00 0.00 C ATOM 161 CD2 PHE A 14 6.589 -16.021 -7.869 1.00 0.00 C ATOM 162 CE1 PHE A 14 5.386 -13.715 -8.789 1.00 0.00 C ATOM 163 CE2 PHE A 14 6.154 -15.946 -9.178 1.00 0.00 C ATOM 164 CZ PHE A 14 5.552 -14.791 -9.639 1.00 0.00 C ATOM 0 H PHE A 14 9.224 -15.925 -5.584 1.00 0.00 H new ATOM 0 HA PHE A 14 8.124 -13.306 -5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.144 -16.070 -5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.092 -14.736 -4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.692 -12.951 -6.821 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.059 -16.926 -7.514 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.914 -12.811 -9.146 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.284 -16.789 -9.840 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.212 -14.730 -10.662 1.00 0.00 H new ATOM 174 N GLU A 15 8.564 -14.454 -2.927 1.00 0.00 N ATOM 175 CA GLU A 15 8.569 -14.081 -1.517 1.00 0.00 C ATOM 176 C GLU A 15 9.464 -12.868 -1.279 1.00 0.00 C ATOM 177 O GLU A 15 9.226 -12.078 -0.366 1.00 0.00 O ATOM 178 CB GLU A 15 9.043 -15.254 -0.657 1.00 0.00 C ATOM 179 CG GLU A 15 8.148 -16.479 -0.753 1.00 0.00 C ATOM 180 CD GLU A 15 8.211 -17.346 0.490 1.00 0.00 C ATOM 181 OE1 GLU A 15 7.872 -16.844 1.582 1.00 0.00 O ATOM 182 OE2 GLU A 15 8.599 -18.527 0.370 1.00 0.00 O ATOM 0 H GLU A 15 8.965 -15.371 -3.122 1.00 0.00 H new ATOM 0 HA GLU A 15 7.549 -13.821 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.054 -15.529 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.095 -14.933 0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.119 -16.160 -0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.441 -17.071 -1.620 1.00 0.00 H new ATOM 189 N ALA A 16 10.494 -12.728 -2.107 1.00 0.00 N ATOM 190 CA ALA A 16 11.423 -11.611 -1.988 1.00 0.00 C ATOM 191 C ALA A 16 11.003 -10.450 -2.882 1.00 0.00 C ATOM 192 O ALA A 16 11.087 -9.286 -2.487 1.00 0.00 O ATOM 193 CB ALA A 16 12.835 -12.061 -2.332 1.00 0.00 C ATOM 0 H ALA A 16 10.706 -13.374 -2.867 1.00 0.00 H new ATOM 0 HA ALA A 16 11.405 -11.264 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.519 -11.217 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.141 -12.853 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.858 -12.436 -3.355 1.00 0.00 H new ATOM 199 N LEU A 17 10.552 -10.772 -4.089 1.00 0.00 N ATOM 200 CA LEU A 17 10.119 -9.754 -5.041 1.00 0.00 C ATOM 201 C LEU A 17 8.846 -9.066 -4.561 1.00 0.00 C ATOM 202 O LEU A 17 8.806 -7.843 -4.415 1.00 0.00 O ATOM 203 CB LEU A 17 9.886 -10.381 -6.417 1.00 0.00 C ATOM 204 CG LEU A 17 8.993 -9.589 -7.372 1.00 0.00 C ATOM 205 CD1 LEU A 17 9.782 -8.471 -8.036 1.00 0.00 C ATOM 206 CD2 LEU A 17 8.384 -10.509 -8.420 1.00 0.00 C ATOM 0 H LEU A 17 10.476 -11.730 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 17 10.907 -9.005 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.854 -10.529 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.446 -11.368 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 17 8.183 -9.142 -6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.130 -7.918 -8.712 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.170 -7.796 -7.273 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.612 -8.897 -8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.751 -9.928 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.180 -10.985 -8.993 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.784 -11.274 -7.928 1.00 0.00 H new ATOM 218 N LEU A 18 7.808 -9.858 -4.314 1.00 0.00 N ATOM 219 CA LEU A 18 6.533 -9.325 -3.847 1.00 0.00 C ATOM 220 C LEU A 18 6.729 -8.443 -2.617 1.00 0.00 C ATOM 221 O LEU A 18 5.887 -7.602 -2.304 1.00 0.00 O ATOM 222 CB LEU A 18 5.569 -10.467 -3.521 1.00 0.00 C ATOM 223 CG LEU A 18 5.141 -11.340 -4.700 1.00 0.00 C ATOM 224 CD1 LEU A 18 4.475 -12.615 -4.206 1.00 0.00 C ATOM 225 CD2 LEU A 18 4.206 -10.571 -5.622 1.00 0.00 C ATOM 0 H LEU A 18 7.824 -10.871 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 18 6.108 -8.716 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.035 -11.107 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.674 -10.042 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 18 6.031 -11.615 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.177 -13.224 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.176 -13.175 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.594 -12.361 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.912 -11.208 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.318 -10.266 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.717 -9.687 -6.004 1.00 0.00 H new ATOM 237 N SER A 19 7.847 -8.640 -1.926 1.00 0.00 N ATOM 238 CA SER A 19 8.153 -7.864 -0.730 1.00 0.00 C ATOM 239 C SER A 19 9.260 -6.851 -1.008 1.00 0.00 C ATOM 240 O SER A 19 10.027 -6.493 -0.116 1.00 0.00 O ATOM 241 CB SER A 19 8.571 -8.791 0.412 1.00 0.00 C ATOM 242 OG SER A 19 7.653 -9.860 0.563 1.00 0.00 O ATOM 0 H SER A 19 8.556 -9.330 -2.174 1.00 0.00 H new ATOM 0 HA SER A 19 7.253 -7.323 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.567 -9.188 0.216 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.630 -8.224 1.341 1.00 0.00 H new ATOM 0 HG SER A 19 8.079 -10.698 0.288 1.00 0.00 H new ATOM 248 N ASN A 20 9.335 -6.393 -2.254 1.00 0.00 N ATOM 249 CA ASN A 20 10.348 -5.422 -2.651 1.00 0.00 C ATOM 250 C ASN A 20 9.700 -4.164 -3.223 1.00 0.00 C ATOM 251 O ASN A 20 10.316 -3.436 -4.002 1.00 0.00 O ATOM 252 CB ASN A 20 11.295 -6.036 -3.684 1.00 0.00 C ATOM 253 CG ASN A 20 12.667 -5.390 -3.665 1.00 0.00 C ATOM 254 OD1 ASN A 20 12.870 -4.354 -3.031 1.00 0.00 O ATOM 255 ND2 ASN A 20 13.618 -6.001 -4.362 1.00 0.00 N ATOM 0 H ASN A 20 8.707 -6.679 -3.005 1.00 0.00 H new ATOM 0 HA ASN A 20 10.918 -5.145 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.396 -7.104 -3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.861 -5.932 -4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.561 -5.613 -4.386 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.405 -6.858 -4.873 1.00 0.00 H new ATOM 262 N ILE A 21 8.456 -3.915 -2.830 1.00 0.00 N ATOM 263 CA ILE A 21 7.726 -2.745 -3.302 1.00 0.00 C ATOM 264 C ILE A 21 7.944 -1.552 -2.378 1.00 0.00 C ATOM 265 O ILE A 21 8.519 -1.686 -1.298 1.00 0.00 O ATOM 266 CB ILE A 21 6.216 -3.029 -3.408 1.00 0.00 C ATOM 267 CG1 ILE A 21 5.551 -2.886 -2.037 1.00 0.00 C ATOM 268 CG2 ILE A 21 5.976 -4.419 -3.977 1.00 0.00 C ATOM 269 CD1 ILE A 21 6.155 -3.780 -0.977 1.00 0.00 C ATOM 0 H ILE A 21 7.932 -4.508 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 21 8.114 -2.509 -4.293 1.00 0.00 H new ATOM 0 HB ILE A 21 5.771 -2.300 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.626 -1.848 -1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.489 -3.114 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.904 -4.604 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.420 -4.487 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.432 -5.163 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.635 -3.626 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.056 -4.822 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.210 -3.537 -0.854 1.00 0.00 H new ATOM 281 N VAL A 22 7.480 -0.383 -2.810 1.00 0.00 N ATOM 282 CA VAL A 22 7.622 0.834 -2.021 1.00 0.00 C ATOM 283 C VAL A 22 6.297 1.231 -1.380 1.00 0.00 C ATOM 284 O VAL A 22 5.232 1.065 -1.975 1.00 0.00 O ATOM 285 CB VAL A 22 8.134 2.005 -2.881 1.00 0.00 C ATOM 286 CG1 VAL A 22 8.253 3.270 -2.046 1.00 0.00 C ATOM 287 CG2 VAL A 22 9.468 1.651 -3.521 1.00 0.00 C ATOM 0 H VAL A 22 7.003 -0.254 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 22 8.352 0.621 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 22 7.413 2.191 -3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.616 4.086 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.276 3.531 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.953 3.101 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.816 2.489 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.200 1.437 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.346 0.773 -4.155 1.00 0.00 H new ATOM 297 N LYS A 23 6.369 1.757 -0.162 1.00 0.00 N ATOM 298 CA LYS A 23 5.176 2.180 0.561 1.00 0.00 C ATOM 299 C LYS A 23 4.350 3.154 -0.274 1.00 0.00 C ATOM 300 O LYS A 23 4.882 4.016 -0.974 1.00 0.00 O ATOM 301 CB LYS A 23 5.564 2.834 1.889 1.00 0.00 C ATOM 302 CG LYS A 23 6.128 4.236 1.735 1.00 0.00 C ATOM 303 CD LYS A 23 6.269 4.931 3.079 1.00 0.00 C ATOM 304 CE LYS A 23 6.846 6.330 2.926 1.00 0.00 C ATOM 305 NZ LYS A 23 6.676 7.139 4.165 1.00 0.00 N ATOM 0 H LYS A 23 7.242 1.901 0.345 1.00 0.00 H new ATOM 0 HA LYS A 23 4.571 1.296 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.687 2.873 2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.302 2.208 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.101 4.186 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.476 4.822 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.294 4.989 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.913 4.340 3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.906 6.261 2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.358 6.835 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.005 8.111 3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.671 7.156 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.233 6.716 4.935 1.00 0.00 H new ATOM 319 N PRO A 24 3.018 3.016 -0.200 1.00 0.00 N ATOM 320 CA PRO A 24 2.091 3.876 -0.941 1.00 0.00 C ATOM 321 C PRO A 24 2.071 5.304 -0.407 1.00 0.00 C ATOM 322 O PRO A 24 2.043 5.524 0.804 1.00 0.00 O ATOM 323 CB PRO A 24 0.732 3.205 -0.723 1.00 0.00 C ATOM 324 CG PRO A 24 0.880 2.460 0.559 1.00 0.00 C ATOM 325 CD PRO A 24 2.314 2.011 0.614 1.00 0.00 C ATOM 0 HA PRO A 24 2.373 3.969 -1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.069 3.942 -0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.485 2.533 -1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.637 3.096 1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.202 1.607 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.689 1.988 1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.437 1.007 0.207 1.00 0.00 H new ATOM 333 N VAL A 25 2.086 6.272 -1.317 1.00 0.00 N ATOM 334 CA VAL A 25 2.068 7.680 -0.937 1.00 0.00 C ATOM 335 C VAL A 25 0.659 8.254 -1.021 1.00 0.00 C ATOM 336 O VAL A 25 -0.016 8.123 -2.041 1.00 0.00 O ATOM 337 CB VAL A 25 3.005 8.514 -1.831 1.00 0.00 C ATOM 338 CG1 VAL A 25 2.929 9.987 -1.456 1.00 0.00 C ATOM 339 CG2 VAL A 25 4.434 8.003 -1.728 1.00 0.00 C ATOM 0 H VAL A 25 2.111 6.107 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 25 2.418 7.734 0.094 1.00 0.00 H new ATOM 0 HB VAL A 25 2.680 8.409 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.597 10.561 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.907 10.343 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.228 10.113 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.082 8.604 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.773 8.076 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.472 6.962 -2.049 1.00 0.00 H new ATOM 349 N ALA A 26 0.220 8.892 0.059 1.00 0.00 N ATOM 350 CA ALA A 26 -1.109 9.489 0.107 1.00 0.00 C ATOM 351 C ALA A 26 -1.101 10.894 -0.485 1.00 0.00 C ATOM 352 O ALA A 26 -0.356 11.765 -0.034 1.00 0.00 O ATOM 353 CB ALA A 26 -1.622 9.521 1.539 1.00 0.00 C ATOM 0 H ALA A 26 0.766 9.009 0.913 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.779 8.873 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.615 9.969 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.674 8.505 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.944 10.112 2.155 1.00 0.00 H new ATOM 359 N SER A 27 -1.933 11.109 -1.499 1.00 0.00 N ATOM 360 CA SER A 27 -2.018 12.407 -2.157 1.00 0.00 C ATOM 361 C SER A 27 -3.470 12.861 -2.276 1.00 0.00 C ATOM 362 O SER A 27 -4.396 12.080 -2.060 1.00 0.00 O ATOM 363 CB SER A 27 -1.376 12.344 -3.544 1.00 0.00 C ATOM 364 OG SER A 27 -1.939 11.299 -4.319 1.00 0.00 O ATOM 0 H SER A 27 -2.558 10.400 -1.883 1.00 0.00 H new ATOM 0 HA SER A 27 -1.477 13.131 -1.548 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.515 13.296 -4.056 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.302 12.189 -3.444 1.00 0.00 H new ATOM 0 HG SER A 27 -2.145 10.536 -3.739 1.00 0.00 H new ATOM 370 N ASP A 28 -3.660 14.130 -2.623 1.00 0.00 N ATOM 371 CA ASP A 28 -4.998 14.690 -2.772 1.00 0.00 C ATOM 372 C ASP A 28 -5.926 14.181 -1.673 1.00 0.00 C ATOM 373 O ASP A 28 -7.129 14.028 -1.885 1.00 0.00 O ATOM 374 CB ASP A 28 -5.571 14.335 -4.145 1.00 0.00 C ATOM 375 CG ASP A 28 -6.586 15.353 -4.629 1.00 0.00 C ATOM 376 OD1 ASP A 28 -6.432 16.547 -4.299 1.00 0.00 O ATOM 377 OD2 ASP A 28 -7.535 14.954 -5.337 1.00 0.00 O ATOM 0 H ASP A 28 -2.904 14.790 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.924 15.774 -2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.758 14.265 -4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.041 13.353 -4.097 1.00 0.00 H new ATOM 382 N ILE A 29 -5.358 13.921 -0.501 1.00 0.00 N ATOM 383 CA ILE A 29 -6.135 13.430 0.631 1.00 0.00 C ATOM 384 C ILE A 29 -7.366 14.297 0.871 1.00 0.00 C ATOM 385 O ILE A 29 -7.276 15.524 0.900 1.00 0.00 O ATOM 386 CB ILE A 29 -5.290 13.390 1.918 1.00 0.00 C ATOM 387 CG1 ILE A 29 -4.081 12.471 1.733 1.00 0.00 C ATOM 388 CG2 ILE A 29 -6.138 12.928 3.094 1.00 0.00 C ATOM 389 CD1 ILE A 29 -2.884 12.872 2.566 1.00 0.00 C ATOM 0 H ILE A 29 -4.363 14.042 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.451 12.417 0.381 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.928 14.396 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.367 11.451 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.796 12.466 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.527 12.905 3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.969 13.618 3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.526 11.929 2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.065 12.176 2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.572 13.880 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.152 12.849 3.622 1.00 0.00 H new ATOM 401 N GLN A 30 -8.514 13.650 1.043 1.00 0.00 N ATOM 402 CA GLN A 30 -9.764 14.363 1.281 1.00 0.00 C ATOM 403 C GLN A 30 -10.473 13.820 2.517 1.00 0.00 C ATOM 404 O GLN A 30 -9.982 12.902 3.173 1.00 0.00 O ATOM 405 CB GLN A 30 -10.680 14.251 0.062 1.00 0.00 C ATOM 406 CG GLN A 30 -10.503 15.381 -0.939 1.00 0.00 C ATOM 407 CD GLN A 30 -10.824 14.959 -2.359 1.00 0.00 C ATOM 408 OE1 GLN A 30 -11.982 14.976 -2.778 1.00 0.00 O ATOM 409 NE2 GLN A 30 -9.798 14.576 -3.110 1.00 0.00 N ATOM 0 H GLN A 30 -8.605 12.634 1.022 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.527 15.413 1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.491 13.301 -0.438 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.717 14.233 0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.147 16.215 -0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.476 15.743 -0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.854 14.577 -2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.954 14.281 -4.074 1.00 0.00 H new ATOM 418 N ALA A 31 -11.630 14.394 2.829 1.00 0.00 N ATOM 419 CA ALA A 31 -12.408 13.966 3.986 1.00 0.00 C ATOM 420 C ALA A 31 -12.279 12.463 4.208 1.00 0.00 C ATOM 421 O ALA A 31 -11.623 12.019 5.150 1.00 0.00 O ATOM 422 CB ALA A 31 -13.869 14.353 3.811 1.00 0.00 C ATOM 0 H ALA A 31 -12.050 15.157 2.297 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.013 14.472 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.438 14.028 4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.949 15.435 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.268 13.874 2.917 1.00 0.00 H new ATOM 428 N ARG A 32 -12.910 11.684 3.335 1.00 0.00 N ATOM 429 CA ARG A 32 -12.867 10.231 3.438 1.00 0.00 C ATOM 430 C ARG A 32 -12.142 9.622 2.241 1.00 0.00 C ATOM 431 O ARG A 32 -11.622 8.509 2.317 1.00 0.00 O ATOM 432 CB ARG A 32 -14.285 9.663 3.532 1.00 0.00 C ATOM 433 CG ARG A 32 -15.236 10.530 4.340 1.00 0.00 C ATOM 434 CD ARG A 32 -16.682 10.106 4.141 1.00 0.00 C ATOM 435 NE ARG A 32 -17.272 10.714 2.951 1.00 0.00 N ATOM 436 CZ ARG A 32 -17.249 10.150 1.749 1.00 0.00 C ATOM 437 NH1 ARG A 32 -16.669 8.970 1.578 1.00 0.00 N ATOM 438 NH2 ARG A 32 -17.807 10.766 0.715 1.00 0.00 N ATOM 0 H ARG A 32 -13.457 12.035 2.549 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.318 9.972 4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.685 9.540 2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.241 8.671 3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.979 10.466 5.397 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.118 11.573 4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.733 9.020 4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.266 10.385 5.018 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.727 11.622 3.049 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.239 8.493 2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.653 8.539 0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.254 11.674 0.843 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.789 10.332 -0.208 1.00 0.00 H new ATOM 452 N THR A 33 -12.113 10.360 1.136 1.00 0.00 N ATOM 453 CA THR A 33 -11.453 9.893 -0.077 1.00 0.00 C ATOM 454 C THR A 33 -10.013 10.386 -0.145 1.00 0.00 C ATOM 455 O THR A 33 -9.684 11.448 0.385 1.00 0.00 O ATOM 456 CB THR A 33 -12.203 10.360 -1.339 1.00 0.00 C ATOM 457 OG1 THR A 33 -12.557 11.742 -1.216 1.00 0.00 O ATOM 458 CG2 THR A 33 -13.457 9.528 -1.562 1.00 0.00 C ATOM 0 H THR A 33 -12.539 11.283 1.056 1.00 0.00 H new ATOM 0 HA THR A 33 -11.459 8.804 -0.041 1.00 0.00 H new ATOM 0 HB THR A 33 -11.542 10.230 -2.196 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.032 12.031 -2.023 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.970 9.876 -2.459 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.182 8.481 -1.685 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.119 9.630 -0.702 1.00 0.00 H new ATOM 466 N VAL A 34 -9.156 9.609 -0.800 1.00 0.00 N ATOM 467 CA VAL A 34 -7.750 9.968 -0.939 1.00 0.00 C ATOM 468 C VAL A 34 -7.122 9.276 -2.143 1.00 0.00 C ATOM 469 O VAL A 34 -7.653 8.290 -2.653 1.00 0.00 O ATOM 470 CB VAL A 34 -6.950 9.601 0.325 1.00 0.00 C ATOM 471 CG1 VAL A 34 -7.757 9.909 1.577 1.00 0.00 C ATOM 472 CG2 VAL A 34 -6.543 8.135 0.291 1.00 0.00 C ATOM 0 H VAL A 34 -9.411 8.726 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.712 11.048 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.044 10.206 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.175 9.643 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.993 10.973 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.682 9.332 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.979 7.893 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.435 7.511 0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.923 7.950 -0.586 1.00 0.00 H new ATOM 482 N VAL A 35 -5.987 9.800 -2.595 1.00 0.00 N ATOM 483 CA VAL A 35 -5.284 9.232 -3.739 1.00 0.00 C ATOM 484 C VAL A 35 -4.044 8.464 -3.297 1.00 0.00 C ATOM 485 O VAL A 35 -3.035 9.060 -2.915 1.00 0.00 O ATOM 486 CB VAL A 35 -4.868 10.325 -4.741 1.00 0.00 C ATOM 487 CG1 VAL A 35 -4.118 9.716 -5.916 1.00 0.00 C ATOM 488 CG2 VAL A 35 -6.087 11.100 -5.221 1.00 0.00 C ATOM 0 H VAL A 35 -5.535 10.618 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.977 8.546 -4.227 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.199 11.021 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.832 10.504 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.223 9.210 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.760 8.997 -6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.774 11.868 -5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.782 10.418 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.578 11.570 -4.369 1.00 0.00 H new ATOM 498 N LEU A 36 -4.124 7.140 -3.352 1.00 0.00 N ATOM 499 CA LEU A 36 -3.007 6.289 -2.958 1.00 0.00 C ATOM 500 C LEU A 36 -2.241 5.794 -4.181 1.00 0.00 C ATOM 501 O LEU A 36 -2.757 5.007 -4.975 1.00 0.00 O ATOM 502 CB LEU A 36 -3.511 5.097 -2.142 1.00 0.00 C ATOM 503 CG LEU A 36 -2.471 4.393 -1.269 1.00 0.00 C ATOM 504 CD1 LEU A 36 -1.948 5.336 -0.196 1.00 0.00 C ATOM 505 CD2 LEU A 36 -3.063 3.141 -0.638 1.00 0.00 C ATOM 0 H LEU A 36 -4.951 6.632 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.330 6.883 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.323 5.439 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.935 4.365 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.635 4.096 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.209 4.818 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.485 6.203 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.775 5.664 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.309 2.653 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.917 3.415 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.388 2.457 -1.422 1.00 0.00 H new ATOM 517 N THR A 37 -1.004 6.259 -4.326 1.00 0.00 N ATOM 518 CA THR A 37 -0.166 5.864 -5.451 1.00 0.00 C ATOM 519 C THR A 37 1.101 5.162 -4.973 1.00 0.00 C ATOM 520 O THR A 37 1.834 5.688 -4.136 1.00 0.00 O ATOM 521 CB THR A 37 0.228 7.078 -6.312 1.00 0.00 C ATOM 522 OG1 THR A 37 -0.930 7.870 -6.600 1.00 0.00 O ATOM 523 CG2 THR A 37 0.879 6.632 -7.612 1.00 0.00 C ATOM 0 H THR A 37 -0.560 6.910 -3.678 1.00 0.00 H new ATOM 0 HA THR A 37 -0.755 5.174 -6.056 1.00 0.00 H new ATOM 0 HB THR A 37 0.947 7.675 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.671 8.641 -7.147 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.148 7.507 -8.203 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.776 6.054 -7.390 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.180 6.015 -8.176 1.00 0.00 H new ATOM 531 N TRP A 38 1.352 3.974 -5.511 1.00 0.00 N ATOM 532 CA TRP A 38 2.531 3.201 -5.139 1.00 0.00 C ATOM 533 C TRP A 38 3.189 2.586 -6.370 1.00 0.00 C ATOM 534 O TRP A 38 2.531 2.346 -7.382 1.00 0.00 O ATOM 535 CB TRP A 38 2.153 2.102 -4.145 1.00 0.00 C ATOM 536 CG TRP A 38 1.264 1.048 -4.734 1.00 0.00 C ATOM 537 CD1 TRP A 38 1.655 -0.045 -5.454 1.00 0.00 C ATOM 538 CD2 TRP A 38 -0.164 0.989 -4.654 1.00 0.00 C ATOM 539 NE1 TRP A 38 0.555 -0.779 -5.827 1.00 0.00 N ATOM 540 CE2 TRP A 38 -0.573 -0.166 -5.348 1.00 0.00 C ATOM 541 CE3 TRP A 38 -1.137 1.799 -4.063 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.912 -0.529 -5.466 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -2.466 1.438 -4.181 1.00 0.00 C ATOM 544 CH2 TRP A 38 -2.843 0.282 -4.877 1.00 0.00 C ATOM 0 H TRP A 38 0.755 3.525 -6.206 1.00 0.00 H new ATOM 0 HA TRP A 38 3.245 3.877 -4.668 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.063 1.632 -3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.652 2.553 -3.289 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.678 -0.295 -5.695 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.575 -1.641 -6.372 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.856 2.691 -3.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.205 -1.419 -6.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.227 2.057 -3.729 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.890 0.026 -4.950 1.00 0.00 H new ATOM 555 N SER A 39 4.491 2.334 -6.276 1.00 0.00 N ATOM 556 CA SER A 39 5.238 1.751 -7.384 1.00 0.00 C ATOM 557 C SER A 39 5.378 0.242 -7.209 1.00 0.00 C ATOM 558 O SER A 39 5.291 -0.292 -6.103 1.00 0.00 O ATOM 559 CB SER A 39 6.622 2.394 -7.488 1.00 0.00 C ATOM 560 OG SER A 39 6.591 3.538 -8.323 1.00 0.00 O ATOM 0 H SER A 39 5.050 2.524 -5.444 1.00 0.00 H new ATOM 0 HA SER A 39 4.686 1.944 -8.304 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.972 2.674 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.334 1.670 -7.884 1.00 0.00 H new ATOM 0 HG SER A 39 7.487 3.932 -8.372 1.00 0.00 H new ATOM 566 N PRO A 40 5.600 -0.464 -8.328 1.00 0.00 N ATOM 567 CA PRO A 40 5.757 -1.922 -8.326 1.00 0.00 C ATOM 568 C PRO A 40 7.062 -2.363 -7.672 1.00 0.00 C ATOM 569 O PRO A 40 7.976 -1.567 -7.454 1.00 0.00 O ATOM 570 CB PRO A 40 5.757 -2.280 -9.814 1.00 0.00 C ATOM 571 CG PRO A 40 6.227 -1.045 -10.501 1.00 0.00 C ATOM 572 CD PRO A 40 5.715 0.106 -9.681 1.00 0.00 C ATOM 0 HA PRO A 40 4.971 -2.416 -7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.418 -3.122 -10.018 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.761 -2.567 -10.152 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.315 -1.025 -10.566 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.846 -0.997 -11.521 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.402 0.952 -9.704 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.754 0.465 -10.049 1.00 0.00 H new ATOM 580 N PRO A 41 7.154 -3.662 -7.350 1.00 0.00 N ATOM 581 CA PRO A 41 8.343 -4.239 -6.716 1.00 0.00 C ATOM 582 C PRO A 41 9.538 -4.288 -7.663 1.00 0.00 C ATOM 583 O PRO A 41 9.374 -4.393 -8.879 1.00 0.00 O ATOM 584 CB PRO A 41 7.896 -5.655 -6.345 1.00 0.00 C ATOM 585 CG PRO A 41 6.802 -5.971 -7.305 1.00 0.00 C ATOM 586 CD PRO A 41 6.103 -4.668 -7.580 1.00 0.00 C ATOM 0 HA PRO A 41 8.679 -3.647 -5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.718 -6.365 -6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.544 -5.702 -5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.201 -6.401 -8.224 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.112 -6.702 -6.884 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.721 -4.624 -8.600 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.252 -4.520 -6.915 1.00 0.00 H new ATOM 594 N SER A 42 10.738 -4.212 -7.098 1.00 0.00 N ATOM 595 CA SER A 42 11.961 -4.245 -7.893 1.00 0.00 C ATOM 596 C SER A 42 12.504 -5.667 -7.996 1.00 0.00 C ATOM 597 O SER A 42 12.877 -6.275 -6.992 1.00 0.00 O ATOM 598 CB SER A 42 13.018 -3.326 -7.279 1.00 0.00 C ATOM 599 OG SER A 42 12.629 -1.967 -7.373 1.00 0.00 O ATOM 0 H SER A 42 10.890 -4.127 -6.093 1.00 0.00 H new ATOM 0 HA SER A 42 11.723 -3.893 -8.897 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.172 -3.592 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.971 -3.471 -7.789 1.00 0.00 H new ATOM 0 HG SER A 42 13.321 -1.400 -6.972 1.00 0.00 H new ATOM 605 N SER A 43 12.545 -6.192 -9.216 1.00 0.00 N ATOM 606 CA SER A 43 13.039 -7.543 -9.451 1.00 0.00 C ATOM 607 C SER A 43 14.551 -7.611 -9.257 1.00 0.00 C ATOM 608 O SER A 43 15.310 -6.950 -9.967 1.00 0.00 O ATOM 609 CB SER A 43 12.674 -8.004 -10.864 1.00 0.00 C ATOM 610 OG SER A 43 13.169 -7.103 -11.838 1.00 0.00 O ATOM 0 H SER A 43 12.242 -5.702 -10.058 1.00 0.00 H new ATOM 0 HA SER A 43 12.567 -8.206 -8.726 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.083 -8.998 -11.043 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.591 -8.084 -10.955 1.00 0.00 H new ATOM 0 HG SER A 43 14.044 -6.763 -11.555 1.00 0.00 H new ATOM 616 N LEU A 44 14.981 -8.415 -8.291 1.00 0.00 N ATOM 617 CA LEU A 44 16.402 -8.570 -8.002 1.00 0.00 C ATOM 618 C LEU A 44 17.013 -9.680 -8.851 1.00 0.00 C ATOM 619 O LEU A 44 18.088 -10.193 -8.540 1.00 0.00 O ATOM 620 CB LEU A 44 16.611 -8.876 -6.517 1.00 0.00 C ATOM 621 CG LEU A 44 16.031 -7.858 -5.535 1.00 0.00 C ATOM 622 CD1 LEU A 44 16.052 -8.411 -4.118 1.00 0.00 C ATOM 623 CD2 LEU A 44 16.800 -6.547 -5.609 1.00 0.00 C ATOM 0 H LEU A 44 14.366 -8.969 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 44 16.901 -7.633 -8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.172 -9.850 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.682 -8.961 -6.331 1.00 0.00 H new ATOM 0 HG LEU A 44 14.995 -7.664 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.635 -7.673 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.457 -9.323 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.079 -8.634 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.373 -5.834 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 44 17.846 -6.724 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 44 16.733 -6.142 -6.619 1.00 0.00 H new ATOM 635 N ILE A 45 16.321 -10.044 -9.925 1.00 0.00 N ATOM 636 CA ILE A 45 16.797 -11.091 -10.822 1.00 0.00 C ATOM 637 C ILE A 45 18.120 -10.699 -11.470 1.00 0.00 C ATOM 638 O ILE A 45 18.780 -11.522 -12.103 1.00 0.00 O ATOM 639 CB ILE A 45 15.768 -11.397 -11.926 1.00 0.00 C ATOM 640 CG1 ILE A 45 14.387 -11.638 -11.314 1.00 0.00 C ATOM 641 CG2 ILE A 45 16.209 -12.603 -12.742 1.00 0.00 C ATOM 642 CD1 ILE A 45 14.367 -12.745 -10.283 1.00 0.00 C ATOM 0 H ILE A 45 15.429 -9.630 -10.196 1.00 0.00 H new ATOM 0 HA ILE A 45 16.943 -11.985 -10.215 1.00 0.00 H new ATOM 0 HB ILE A 45 15.705 -10.536 -12.591 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.038 -10.715 -10.851 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.683 -11.881 -12.110 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.471 -12.807 -13.518 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.174 -12.396 -13.204 1.00 0.00 H new ATOM 0 HG23 ILE A 45 16.298 -13.471 -12.089 1.00 0.00 H new ATOM 0 HD11 ILE A 45 13.356 -12.860 -9.892 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.685 -13.679 -10.746 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.045 -12.495 -9.467 1.00 0.00 H new ATOM 654 N ASN A 46 18.503 -9.437 -11.305 1.00 0.00 N ATOM 655 CA ASN A 46 19.750 -8.937 -11.873 1.00 0.00 C ATOM 656 C ASN A 46 19.685 -8.921 -13.397 1.00 0.00 C ATOM 657 O ASN A 46 20.710 -9.002 -14.074 1.00 0.00 O ATOM 658 CB ASN A 46 20.927 -9.796 -11.410 1.00 0.00 C ATOM 659 CG ASN A 46 20.977 -9.945 -9.902 1.00 0.00 C ATOM 660 OD1 ASN A 46 21.072 -8.958 -9.172 1.00 0.00 O ATOM 661 ND2 ASN A 46 20.912 -11.184 -9.427 1.00 0.00 N ATOM 0 H ASN A 46 17.968 -8.742 -10.783 1.00 0.00 H new ATOM 0 HA ASN A 46 19.896 -7.915 -11.522 1.00 0.00 H new ATOM 0 HB2 ASN A 46 20.855 -10.783 -11.867 1.00 0.00 H new ATOM 0 HB3 ASN A 46 21.858 -9.350 -11.759 1.00 0.00 H new ATOM 0 HD21 ASN A 46 20.940 -11.346 -8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 46 20.834 -11.973 -10.069 1.00 0.00 H new ATOM 668 N GLY A 47 18.472 -8.816 -13.932 1.00 0.00 N ATOM 669 CA GLY A 47 18.296 -8.792 -15.373 1.00 0.00 C ATOM 670 C GLY A 47 18.583 -10.134 -16.015 1.00 0.00 C ATOM 671 O GLY A 47 18.434 -10.294 -17.226 1.00 0.00 O ATOM 0 H GLY A 47 17.608 -8.747 -13.394 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.274 -8.492 -15.606 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.955 -8.038 -15.804 1.00 0.00 H new ATOM 675 N GLU A 48 18.996 -11.101 -15.202 1.00 0.00 N ATOM 676 CA GLU A 48 19.306 -12.436 -15.699 1.00 0.00 C ATOM 677 C GLU A 48 18.199 -12.946 -16.617 1.00 0.00 C ATOM 678 O GLU A 48 18.433 -13.789 -17.484 1.00 0.00 O ATOM 679 CB GLU A 48 19.505 -13.407 -14.533 1.00 0.00 C ATOM 680 CG GLU A 48 20.937 -13.469 -14.029 1.00 0.00 C ATOM 681 CD GLU A 48 21.093 -14.378 -12.826 1.00 0.00 C ATOM 682 OE1 GLU A 48 20.670 -13.978 -11.722 1.00 0.00 O ATOM 683 OE2 GLU A 48 21.639 -15.489 -12.989 1.00 0.00 O ATOM 0 H GLU A 48 19.124 -10.985 -14.197 1.00 0.00 H new ATOM 0 HA GLU A 48 20.231 -12.375 -16.273 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.852 -13.113 -13.711 1.00 0.00 H new ATOM 0 HB3 GLU A 48 19.195 -14.404 -14.845 1.00 0.00 H new ATOM 0 HG2 GLU A 48 21.586 -13.820 -14.831 1.00 0.00 H new ATOM 0 HG3 GLU A 48 21.270 -12.465 -13.766 1.00 0.00 H new ATOM 690 N THR A 49 16.990 -12.430 -16.418 1.00 0.00 N ATOM 691 CA THR A 49 15.845 -12.833 -17.225 1.00 0.00 C ATOM 692 C THR A 49 15.316 -11.666 -18.051 1.00 0.00 C ATOM 693 O THR A 49 15.570 -10.504 -17.734 1.00 0.00 O ATOM 694 CB THR A 49 14.705 -13.385 -16.348 1.00 0.00 C ATOM 695 OG1 THR A 49 13.603 -13.784 -17.170 1.00 0.00 O ATOM 696 CG2 THR A 49 14.243 -12.341 -15.342 1.00 0.00 C ATOM 0 H THR A 49 16.779 -11.732 -15.705 1.00 0.00 H new ATOM 0 HA THR A 49 16.192 -13.620 -17.894 1.00 0.00 H new ATOM 0 HB THR A 49 15.082 -14.250 -15.803 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.953 -14.278 -16.628 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.438 -12.753 -14.734 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.077 -12.062 -14.698 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.883 -11.459 -15.872 1.00 0.00 H new ATOM 704 N ASP A 50 14.577 -11.982 -19.109 1.00 0.00 N ATOM 705 CA ASP A 50 14.010 -10.959 -19.979 1.00 0.00 C ATOM 706 C ASP A 50 13.294 -9.888 -19.163 1.00 0.00 C ATOM 707 O ASP A 50 12.442 -10.195 -18.330 1.00 0.00 O ATOM 708 CB ASP A 50 13.040 -11.590 -20.979 1.00 0.00 C ATOM 709 CG ASP A 50 13.750 -12.425 -22.027 1.00 0.00 C ATOM 710 OD1 ASP A 50 14.865 -12.040 -22.437 1.00 0.00 O ATOM 711 OD2 ASP A 50 13.190 -13.463 -22.436 1.00 0.00 O ATOM 0 H ASP A 50 14.357 -12.939 -19.385 1.00 0.00 H new ATOM 0 HA ASP A 50 14.827 -10.488 -20.525 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.326 -12.215 -20.443 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.468 -10.804 -21.472 1.00 0.00 H new ATOM 716 N GLU A 51 13.647 -8.629 -19.408 1.00 0.00 N ATOM 717 CA GLU A 51 13.039 -7.513 -18.693 1.00 0.00 C ATOM 718 C GLU A 51 11.516 -7.602 -18.741 1.00 0.00 C ATOM 719 O GLU A 51 10.838 -7.350 -17.745 1.00 0.00 O ATOM 720 CB GLU A 51 13.501 -6.183 -19.292 1.00 0.00 C ATOM 721 CG GLU A 51 14.966 -5.875 -19.031 1.00 0.00 C ATOM 722 CD GLU A 51 15.440 -4.634 -19.761 1.00 0.00 C ATOM 723 OE1 GLU A 51 15.477 -4.657 -21.009 1.00 0.00 O ATOM 724 OE2 GLU A 51 15.775 -3.639 -19.084 1.00 0.00 O ATOM 0 H GLU A 51 14.350 -8.357 -20.095 1.00 0.00 H new ATOM 0 HA GLU A 51 13.357 -7.565 -17.652 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.328 -6.199 -20.368 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.891 -5.378 -18.883 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.121 -5.743 -17.960 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.573 -6.727 -19.338 1.00 0.00 H new ATOM 731 N SER A 52 10.986 -7.963 -19.905 1.00 0.00 N ATOM 732 CA SER A 52 9.544 -8.081 -20.084 1.00 0.00 C ATOM 733 C SER A 52 9.051 -9.453 -19.632 1.00 0.00 C ATOM 734 O SER A 52 8.099 -9.998 -20.191 1.00 0.00 O ATOM 735 CB SER A 52 9.170 -7.850 -21.550 1.00 0.00 C ATOM 736 OG SER A 52 9.441 -6.515 -21.941 1.00 0.00 O ATOM 0 H SER A 52 11.534 -8.179 -20.738 1.00 0.00 H new ATOM 0 HA SER A 52 9.063 -7.320 -19.469 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.729 -8.539 -22.184 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.112 -8.068 -21.697 1.00 0.00 H new ATOM 0 HG SER A 52 9.195 -6.393 -22.882 1.00 0.00 H new ATOM 742 N SER A 53 9.706 -10.005 -18.616 1.00 0.00 N ATOM 743 CA SER A 53 9.338 -11.314 -18.090 1.00 0.00 C ATOM 744 C SER A 53 8.540 -11.175 -16.797 1.00 0.00 C ATOM 745 O SER A 53 7.556 -11.884 -16.583 1.00 0.00 O ATOM 746 CB SER A 53 10.590 -12.157 -17.841 1.00 0.00 C ATOM 747 OG SER A 53 10.248 -13.488 -17.496 1.00 0.00 O ATOM 0 H SER A 53 10.494 -9.566 -18.141 1.00 0.00 H new ATOM 0 HA SER A 53 8.713 -11.813 -18.831 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.215 -12.159 -18.734 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.180 -11.710 -17.040 1.00 0.00 H new ATOM 0 HG SER A 53 11.055 -14.044 -17.500 1.00 0.00 H new ATOM 753 N VAL A 54 8.970 -10.256 -15.939 1.00 0.00 N ATOM 754 CA VAL A 54 8.296 -10.023 -14.667 1.00 0.00 C ATOM 755 C VAL A 54 6.872 -9.525 -14.884 1.00 0.00 C ATOM 756 O VAL A 54 6.618 -8.619 -15.679 1.00 0.00 O ATOM 757 CB VAL A 54 9.061 -8.999 -13.806 1.00 0.00 C ATOM 758 CG1 VAL A 54 10.315 -9.627 -13.219 1.00 0.00 C ATOM 759 CG2 VAL A 54 9.406 -7.766 -14.627 1.00 0.00 C ATOM 0 H VAL A 54 9.782 -9.660 -16.101 1.00 0.00 H new ATOM 0 HA VAL A 54 8.268 -10.978 -14.143 1.00 0.00 H new ATOM 0 HB VAL A 54 8.418 -8.690 -12.982 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.842 -8.889 -12.614 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.038 -10.477 -12.595 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.964 -9.966 -14.026 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.946 -7.053 -14.004 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.031 -8.055 -15.472 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.489 -7.305 -14.994 1.00 0.00 H new ATOM 769 N PRO A 55 5.917 -10.129 -14.161 1.00 0.00 N ATOM 770 CA PRO A 55 4.501 -9.762 -14.255 1.00 0.00 C ATOM 771 C PRO A 55 4.217 -8.387 -13.662 1.00 0.00 C ATOM 772 O PRO A 55 5.054 -7.818 -12.962 1.00 0.00 O ATOM 773 CB PRO A 55 3.798 -10.851 -13.441 1.00 0.00 C ATOM 774 CG PRO A 55 4.829 -11.331 -12.479 1.00 0.00 C ATOM 775 CD PRO A 55 6.147 -11.216 -13.194 1.00 0.00 C ATOM 0 HA PRO A 55 4.164 -9.699 -15.290 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.925 -10.455 -12.921 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.448 -11.660 -14.082 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.824 -10.730 -11.570 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.635 -12.361 -12.181 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.958 -10.977 -12.506 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.416 -12.147 -13.693 1.00 0.00 H new ATOM 783 N GLU A 56 3.031 -7.858 -13.947 1.00 0.00 N ATOM 784 CA GLU A 56 2.639 -6.548 -13.441 1.00 0.00 C ATOM 785 C GLU A 56 1.240 -6.596 -12.832 1.00 0.00 C ATOM 786 O GLU A 56 0.616 -5.560 -12.597 1.00 0.00 O ATOM 787 CB GLU A 56 2.683 -5.509 -14.563 1.00 0.00 C ATOM 788 CG GLU A 56 1.505 -5.595 -15.519 1.00 0.00 C ATOM 789 CD GLU A 56 1.782 -4.920 -16.848 1.00 0.00 C ATOM 790 OE1 GLU A 56 2.430 -5.550 -17.710 1.00 0.00 O ATOM 791 OE2 GLU A 56 1.351 -3.761 -17.027 1.00 0.00 O ATOM 0 H GLU A 56 2.326 -8.316 -14.525 1.00 0.00 H new ATOM 0 HA GLU A 56 3.346 -6.262 -12.662 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.711 -4.512 -14.123 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.607 -5.634 -15.127 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.258 -6.642 -15.692 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.632 -5.134 -15.057 1.00 0.00 H new ATOM 798 N LEU A 57 0.753 -7.806 -12.580 1.00 0.00 N ATOM 799 CA LEU A 57 -0.572 -7.992 -11.999 1.00 0.00 C ATOM 800 C LEU A 57 -0.474 -8.332 -10.515 1.00 0.00 C ATOM 801 O LEU A 57 -1.388 -8.925 -9.942 1.00 0.00 O ATOM 802 CB LEU A 57 -1.324 -9.099 -12.739 1.00 0.00 C ATOM 803 CG LEU A 57 -1.510 -8.895 -14.243 1.00 0.00 C ATOM 804 CD1 LEU A 57 -1.919 -7.462 -14.541 1.00 0.00 C ATOM 805 CD2 LEU A 57 -0.234 -9.254 -14.991 1.00 0.00 C ATOM 0 H LEU A 57 1.256 -8.673 -12.769 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.121 -7.056 -12.102 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.793 -10.038 -12.583 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.308 -9.210 -12.283 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.306 -9.556 -14.584 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.047 -7.336 -15.616 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.859 -7.239 -14.036 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.145 -6.781 -14.185 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.384 -9.103 -16.060 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.581 -8.618 -14.646 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.016 -10.298 -14.804 1.00 0.00 H new ATOM 817 N TYR A 58 0.640 -7.951 -9.899 1.00 0.00 N ATOM 818 CA TYR A 58 0.858 -8.216 -8.482 1.00 0.00 C ATOM 819 C TYR A 58 -0.306 -7.693 -7.645 1.00 0.00 C ATOM 820 O TYR A 58 -0.434 -6.490 -7.422 1.00 0.00 O ATOM 821 CB TYR A 58 2.165 -7.572 -8.016 1.00 0.00 C ATOM 822 CG TYR A 58 3.379 -8.042 -8.786 1.00 0.00 C ATOM 823 CD1 TYR A 58 3.793 -9.367 -8.727 1.00 0.00 C ATOM 824 CD2 TYR A 58 4.110 -7.161 -9.573 1.00 0.00 C ATOM 825 CE1 TYR A 58 4.902 -9.800 -9.427 1.00 0.00 C ATOM 826 CE2 TYR A 58 5.220 -7.586 -10.278 1.00 0.00 C ATOM 827 CZ TYR A 58 5.612 -8.906 -10.202 1.00 0.00 C ATOM 828 OH TYR A 58 6.716 -9.334 -10.903 1.00 0.00 O ATOM 0 H TYR A 58 1.405 -7.458 -10.359 1.00 0.00 H new ATOM 0 HA TYR A 58 0.924 -9.296 -8.346 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.081 -6.489 -8.111 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.310 -7.789 -6.958 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.238 -10.070 -8.124 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.806 -6.127 -9.635 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.212 -10.833 -9.368 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.777 -6.888 -10.885 1.00 0.00 H new ATOM 0 HH TYR A 58 7.418 -8.652 -10.857 1.00 0.00 H new ATOM 838 N GLY A 59 -1.152 -8.609 -7.182 1.00 0.00 N ATOM 839 CA GLY A 59 -2.294 -8.223 -6.374 1.00 0.00 C ATOM 840 C GLY A 59 -1.897 -7.398 -5.166 1.00 0.00 C ATOM 841 O GLY A 59 -1.366 -7.929 -4.190 1.00 0.00 O ATOM 0 H GLY A 59 -1.067 -9.611 -7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.992 -7.652 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.819 -9.118 -6.042 1.00 0.00 H new ATOM 845 N TYR A 60 -2.153 -6.096 -5.231 1.00 0.00 N ATOM 846 CA TYR A 60 -1.815 -5.195 -4.135 1.00 0.00 C ATOM 847 C TYR A 60 -3.001 -5.016 -3.192 1.00 0.00 C ATOM 848 O TYR A 60 -4.113 -4.719 -3.626 1.00 0.00 O ATOM 849 CB TYR A 60 -1.374 -3.837 -4.682 1.00 0.00 C ATOM 850 CG TYR A 60 -0.344 -3.933 -5.785 1.00 0.00 C ATOM 851 CD1 TYR A 60 0.904 -4.499 -5.549 1.00 0.00 C ATOM 852 CD2 TYR A 60 -0.617 -3.458 -7.061 1.00 0.00 C ATOM 853 CE1 TYR A 60 1.848 -4.589 -6.553 1.00 0.00 C ATOM 854 CE2 TYR A 60 0.321 -3.545 -8.072 1.00 0.00 C ATOM 855 CZ TYR A 60 1.552 -4.111 -7.813 1.00 0.00 C ATOM 856 OH TYR A 60 2.490 -4.198 -8.816 1.00 0.00 O ATOM 0 H TYR A 60 -2.593 -5.641 -6.031 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.992 -5.638 -3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.248 -3.305 -5.058 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.965 -3.241 -3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.139 -4.875 -4.564 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.579 -3.013 -7.267 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.813 -5.031 -6.353 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.092 -3.172 -9.059 1.00 0.00 H new ATOM 0 HH TYR A 60 2.123 -3.817 -9.641 1.00 0.00 H new ATOM 866 N GLU A 61 -2.753 -5.197 -1.899 1.00 0.00 N ATOM 867 CA GLU A 61 -3.799 -5.056 -0.894 1.00 0.00 C ATOM 868 C GLU A 61 -3.452 -3.952 0.101 1.00 0.00 C ATOM 869 O GLU A 61 -2.358 -3.931 0.666 1.00 0.00 O ATOM 870 CB GLU A 61 -4.008 -6.378 -0.153 1.00 0.00 C ATOM 871 CG GLU A 61 -4.861 -6.247 1.098 1.00 0.00 C ATOM 872 CD GLU A 61 -6.344 -6.185 0.789 1.00 0.00 C ATOM 873 OE1 GLU A 61 -6.967 -7.258 0.651 1.00 0.00 O ATOM 874 OE2 GLU A 61 -6.882 -5.062 0.687 1.00 0.00 O ATOM 0 H GLU A 61 -1.837 -5.442 -1.523 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.723 -4.785 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.477 -7.093 -0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.036 -6.788 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.666 -7.093 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.569 -5.348 1.640 1.00 0.00 H new ATOM 881 N VAL A 62 -4.392 -3.035 0.311 1.00 0.00 N ATOM 882 CA VAL A 62 -4.187 -1.928 1.237 1.00 0.00 C ATOM 883 C VAL A 62 -4.686 -2.281 2.634 1.00 0.00 C ATOM 884 O VAL A 62 -5.769 -2.846 2.794 1.00 0.00 O ATOM 885 CB VAL A 62 -4.902 -0.653 0.755 1.00 0.00 C ATOM 886 CG1 VAL A 62 -4.968 0.378 1.872 1.00 0.00 C ATOM 887 CG2 VAL A 62 -4.204 -0.081 -0.469 1.00 0.00 C ATOM 0 H VAL A 62 -5.303 -3.037 -0.148 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.114 -1.741 1.274 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.922 -0.914 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.477 1.272 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.517 -0.036 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.958 0.638 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.723 0.820 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.172 0.166 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.216 -0.818 -1.272 1.00 0.00 H new ATOM 897 N LEU A 63 -3.890 -1.945 3.643 1.00 0.00 N ATOM 898 CA LEU A 63 -4.251 -2.225 5.029 1.00 0.00 C ATOM 899 C LEU A 63 -4.186 -0.958 5.876 1.00 0.00 C ATOM 900 O LEU A 63 -3.149 -0.297 5.941 1.00 0.00 O ATOM 901 CB LEU A 63 -3.323 -3.292 5.612 1.00 0.00 C ATOM 902 CG LEU A 63 -2.978 -4.460 4.688 1.00 0.00 C ATOM 903 CD1 LEU A 63 -1.714 -5.161 5.163 1.00 0.00 C ATOM 904 CD2 LEU A 63 -4.138 -5.441 4.612 1.00 0.00 C ATOM 0 H LEU A 63 -2.990 -1.478 3.528 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.276 -2.596 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.394 -2.810 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.785 -3.693 6.514 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.796 -4.066 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.484 -5.990 4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.884 -4.454 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.867 -5.542 6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.874 -6.266 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.352 -5.829 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.020 -4.932 4.224 1.00 0.00 H new ATOM 916 N ILE A 64 -5.297 -0.628 6.524 1.00 0.00 N ATOM 917 CA ILE A 64 -5.365 0.557 7.370 1.00 0.00 C ATOM 918 C ILE A 64 -5.831 0.202 8.777 1.00 0.00 C ATOM 919 O ILE A 64 -6.475 -0.825 8.989 1.00 0.00 O ATOM 920 CB ILE A 64 -6.312 1.617 6.779 1.00 0.00 C ATOM 921 CG1 ILE A 64 -7.745 1.081 6.729 1.00 0.00 C ATOM 922 CG2 ILE A 64 -5.847 2.029 5.390 1.00 0.00 C ATOM 923 CD1 ILE A 64 -8.794 2.168 6.652 1.00 0.00 C ATOM 0 H ILE A 64 -6.163 -1.165 6.480 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.357 0.969 7.417 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.294 2.497 7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.849 0.425 5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.928 0.473 7.615 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.527 2.779 4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.842 2.446 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.838 1.157 4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.785 1.716 6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.717 2.811 7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.637 2.762 5.752 1.00 0.00 H new ATOM 935 N SER A 65 -5.503 1.061 9.738 1.00 0.00 N ATOM 936 CA SER A 65 -5.887 0.838 11.127 1.00 0.00 C ATOM 937 C SER A 65 -5.998 2.160 11.879 1.00 0.00 C ATOM 938 O SER A 65 -5.012 2.878 12.045 1.00 0.00 O ATOM 939 CB SER A 65 -4.869 -0.071 11.819 1.00 0.00 C ATOM 940 OG SER A 65 -5.109 -0.136 13.214 1.00 0.00 O ATOM 0 H SER A 65 -4.972 1.918 9.580 1.00 0.00 H new ATOM 0 HA SER A 65 -6.863 0.352 11.135 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.921 -1.072 11.391 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.861 0.302 11.637 1.00 0.00 H new ATOM 0 HG SER A 65 -4.255 -0.111 13.694 1.00 0.00 H new ATOM 946 N SER A 66 -7.208 2.476 12.331 1.00 0.00 N ATOM 947 CA SER A 66 -7.451 3.714 13.063 1.00 0.00 C ATOM 948 C SER A 66 -6.955 3.602 14.501 1.00 0.00 C ATOM 949 O SER A 66 -6.669 4.607 15.153 1.00 0.00 O ATOM 950 CB SER A 66 -8.942 4.054 13.050 1.00 0.00 C ATOM 951 OG SER A 66 -9.661 3.227 13.949 1.00 0.00 O ATOM 0 H SER A 66 -8.035 1.892 12.203 1.00 0.00 H new ATOM 0 HA SER A 66 -6.899 4.514 12.569 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.082 5.100 13.322 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.338 3.931 12.042 1.00 0.00 H new ATOM 0 HG SER A 66 -10.611 3.465 13.924 1.00 0.00 H new ATOM 957 N THR A 67 -6.855 2.370 14.991 1.00 0.00 N ATOM 958 CA THR A 67 -6.395 2.124 16.352 1.00 0.00 C ATOM 959 C THR A 67 -4.910 2.435 16.495 1.00 0.00 C ATOM 960 O THR A 67 -4.512 3.240 17.336 1.00 0.00 O ATOM 961 CB THR A 67 -6.645 0.664 16.774 1.00 0.00 C ATOM 962 OG1 THR A 67 -8.048 0.376 16.735 1.00 0.00 O ATOM 963 CG2 THR A 67 -6.109 0.406 18.174 1.00 0.00 C ATOM 0 H THR A 67 -7.087 1.527 14.465 1.00 0.00 H new ATOM 0 HA THR A 67 -6.966 2.786 17.003 1.00 0.00 H new ATOM 0 HB THR A 67 -6.121 0.012 16.075 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.198 -0.555 17.003 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.297 -0.632 18.450 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.036 0.598 18.194 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.609 1.066 18.882 1.00 0.00 H new ATOM 971 N GLY A 68 -4.092 1.791 15.668 1.00 0.00 N ATOM 972 CA GLY A 68 -2.659 2.013 15.719 1.00 0.00 C ATOM 973 C GLY A 68 -1.896 1.094 14.784 1.00 0.00 C ATOM 974 O GLY A 68 -2.492 0.405 13.956 1.00 0.00 O ATOM 0 H GLY A 68 -4.397 1.119 14.963 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.446 3.050 15.459 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.307 1.862 16.739 1.00 0.00 H new ATOM 978 N LYS A 69 -0.574 1.084 14.916 1.00 0.00 N ATOM 979 CA LYS A 69 0.272 0.244 14.077 1.00 0.00 C ATOM 980 C LYS A 69 0.341 -1.178 14.624 1.00 0.00 C ATOM 981 O LYS A 69 0.295 -2.147 13.867 1.00 0.00 O ATOM 982 CB LYS A 69 1.681 0.835 13.985 1.00 0.00 C ATOM 983 CG LYS A 69 1.834 1.874 12.887 1.00 0.00 C ATOM 984 CD LYS A 69 3.283 2.016 12.453 1.00 0.00 C ATOM 985 CE LYS A 69 4.089 2.829 13.456 1.00 0.00 C ATOM 986 NZ LYS A 69 4.332 2.072 14.715 1.00 0.00 N ATOM 0 H LYS A 69 -0.065 1.648 15.596 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.168 0.210 13.080 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.939 1.289 14.942 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.394 0.029 13.813 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.222 1.592 12.030 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.463 2.836 13.241 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.729 1.028 12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.326 2.497 11.476 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.044 3.111 13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.558 3.753 13.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.302 2.250 15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.656 2.382 15.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.208 1.055 14.538 1.00 0.00 H new ATOM 1000 N ASP A 70 0.450 -1.294 15.943 1.00 0.00 N ATOM 1001 CA ASP A 70 0.522 -2.598 16.592 1.00 0.00 C ATOM 1002 C ASP A 70 -0.870 -3.098 16.965 1.00 0.00 C ATOM 1003 O ASP A 70 -1.115 -3.493 18.104 1.00 0.00 O ATOM 1004 CB ASP A 70 1.401 -2.522 17.841 1.00 0.00 C ATOM 1005 CG ASP A 70 2.842 -2.180 17.515 1.00 0.00 C ATOM 1006 OD1 ASP A 70 3.325 -2.606 16.445 1.00 0.00 O ATOM 1007 OD2 ASP A 70 3.487 -1.488 18.331 1.00 0.00 O ATOM 0 H ASP A 70 0.490 -0.501 16.583 1.00 0.00 H new ATOM 0 HA ASP A 70 0.965 -3.302 15.888 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.997 -1.772 18.521 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.367 -3.477 18.364 1.00 0.00 H new ATOM 1012 N GLY A 71 -1.781 -3.075 15.996 1.00 0.00 N ATOM 1013 CA GLY A 71 -3.138 -3.527 16.242 1.00 0.00 C ATOM 1014 C GLY A 71 -3.667 -4.408 15.128 1.00 0.00 C ATOM 1015 O GLY A 71 -2.915 -5.168 14.517 1.00 0.00 O ATOM 0 H GLY A 71 -1.603 -2.751 15.045 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.169 -4.078 17.182 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.791 -2.662 16.357 1.00 0.00 H new ATOM 1019 N LYS A 72 -4.965 -4.310 14.864 1.00 0.00 N ATOM 1020 CA LYS A 72 -5.596 -5.105 13.817 1.00 0.00 C ATOM 1021 C LYS A 72 -5.865 -4.257 12.578 1.00 0.00 C ATOM 1022 O LYS A 72 -6.399 -3.151 12.675 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.904 -5.712 14.327 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.359 -6.928 13.538 1.00 0.00 C ATOM 1025 CD LYS A 72 -8.835 -7.215 13.757 1.00 0.00 C ATOM 1026 CE LYS A 72 -9.091 -7.798 15.138 1.00 0.00 C ATOM 1027 NZ LYS A 72 -10.544 -7.843 15.461 1.00 0.00 N ATOM 0 H LYS A 72 -5.602 -3.687 15.361 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.912 -5.909 13.544 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.781 -5.993 15.373 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.685 -4.953 14.291 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.173 -6.765 12.477 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.771 -7.796 13.835 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.407 -6.295 13.638 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.188 -7.911 12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.676 -8.805 15.190 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.571 -7.200 15.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.676 -8.247 16.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.935 -6.880 15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.037 -8.434 14.762 1.00 0.00 H new ATOM 1041 N TYR A 73 -5.494 -4.781 11.416 1.00 0.00 N ATOM 1042 CA TYR A 73 -5.695 -4.071 10.158 1.00 0.00 C ATOM 1043 C TYR A 73 -6.821 -4.707 9.348 1.00 0.00 C ATOM 1044 O TYR A 73 -7.210 -5.849 9.592 1.00 0.00 O ATOM 1045 CB TYR A 73 -4.403 -4.065 9.339 1.00 0.00 C ATOM 1046 CG TYR A 73 -3.446 -2.960 9.726 1.00 0.00 C ATOM 1047 CD1 TYR A 73 -2.969 -2.851 11.026 1.00 0.00 C ATOM 1048 CD2 TYR A 73 -3.021 -2.024 8.791 1.00 0.00 C ATOM 1049 CE1 TYR A 73 -2.095 -1.842 11.384 1.00 0.00 C ATOM 1050 CE2 TYR A 73 -2.147 -1.013 9.140 1.00 0.00 C ATOM 1051 CZ TYR A 73 -1.687 -0.926 10.438 1.00 0.00 C ATOM 1052 OH TYR A 73 -0.817 0.081 10.789 1.00 0.00 O ATOM 0 H TYR A 73 -5.052 -5.695 11.318 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.974 -3.043 10.391 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.903 -5.026 9.458 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.653 -3.965 8.283 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.287 -3.567 11.770 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.380 -2.088 7.774 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.734 -1.772 12.399 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.825 -0.294 8.401 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.270 0.325 10.014 1.00 0.00 H new ATOM 1062 N LYS A 74 -7.340 -3.958 8.381 1.00 0.00 N ATOM 1063 CA LYS A 74 -8.420 -4.446 7.531 1.00 0.00 C ATOM 1064 C LYS A 74 -8.150 -4.118 6.066 1.00 0.00 C ATOM 1065 O LYS A 74 -7.339 -3.246 5.754 1.00 0.00 O ATOM 1066 CB LYS A 74 -9.754 -3.833 7.964 1.00 0.00 C ATOM 1067 CG LYS A 74 -10.029 -2.475 7.343 1.00 0.00 C ATOM 1068 CD LYS A 74 -10.955 -1.641 8.213 1.00 0.00 C ATOM 1069 CE LYS A 74 -12.415 -1.879 7.860 1.00 0.00 C ATOM 1070 NZ LYS A 74 -12.926 -3.151 8.442 1.00 0.00 N ATOM 0 H LYS A 74 -7.030 -3.010 8.166 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.472 -5.529 7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.561 -4.515 7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.764 -3.736 9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.089 -1.943 7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.476 -2.608 6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.789 -1.886 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.717 -0.584 8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.017 -1.046 8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.527 -1.905 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.963 -3.109 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.651 -3.947 7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.521 -3.286 9.390 1.00 0.00 H new ATOM 1084 N SER A 75 -8.836 -4.822 5.171 1.00 0.00 N ATOM 1085 CA SER A 75 -8.667 -4.607 3.738 1.00 0.00 C ATOM 1086 C SER A 75 -9.654 -3.562 3.226 1.00 0.00 C ATOM 1087 O SER A 75 -10.793 -3.488 3.688 1.00 0.00 O ATOM 1088 CB SER A 75 -8.859 -5.921 2.979 1.00 0.00 C ATOM 1089 OG SER A 75 -10.119 -6.501 3.271 1.00 0.00 O ATOM 0 H SER A 75 -9.513 -5.545 5.412 1.00 0.00 H new ATOM 0 HA SER A 75 -7.655 -4.241 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.778 -5.740 1.907 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.064 -6.618 3.245 1.00 0.00 H new ATOM 0 HG SER A 75 -10.217 -7.339 2.772 1.00 0.00 H new ATOM 1095 N VAL A 76 -9.207 -2.755 2.269 1.00 0.00 N ATOM 1096 CA VAL A 76 -10.049 -1.714 1.692 1.00 0.00 C ATOM 1097 C VAL A 76 -10.070 -1.805 0.170 1.00 0.00 C ATOM 1098 O VAL A 76 -11.054 -1.434 -0.470 1.00 0.00 O ATOM 1099 CB VAL A 76 -9.568 -0.310 2.105 1.00 0.00 C ATOM 1100 CG1 VAL A 76 -9.839 -0.066 3.581 1.00 0.00 C ATOM 1101 CG2 VAL A 76 -8.089 -0.141 1.791 1.00 0.00 C ATOM 0 H VAL A 76 -8.267 -2.802 1.877 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.057 -1.872 2.076 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.125 0.430 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.493 0.931 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.909 -0.143 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.310 -0.810 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.765 0.856 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.513 -0.888 2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.927 -0.270 0.721 1.00 0.00 H new ATOM 1111 N TYR A 77 -8.980 -2.302 -0.402 1.00 0.00 N ATOM 1112 CA TYR A 77 -8.872 -2.440 -1.850 1.00 0.00 C ATOM 1113 C TYR A 77 -8.009 -3.642 -2.220 1.00 0.00 C ATOM 1114 O TYR A 77 -7.113 -4.032 -1.470 1.00 0.00 O ATOM 1115 CB TYR A 77 -8.283 -1.168 -2.462 1.00 0.00 C ATOM 1116 CG TYR A 77 -7.514 -1.411 -3.741 1.00 0.00 C ATOM 1117 CD1 TYR A 77 -6.242 -1.969 -3.714 1.00 0.00 C ATOM 1118 CD2 TYR A 77 -8.060 -1.084 -4.976 1.00 0.00 C ATOM 1119 CE1 TYR A 77 -5.535 -2.192 -4.880 1.00 0.00 C ATOM 1120 CE2 TYR A 77 -7.361 -1.305 -6.147 1.00 0.00 C ATOM 1121 CZ TYR A 77 -6.099 -1.859 -6.094 1.00 0.00 C ATOM 1122 OH TYR A 77 -5.399 -2.081 -7.258 1.00 0.00 O ATOM 0 H TYR A 77 -8.158 -2.616 0.114 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.874 -2.598 -2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.090 -0.463 -2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.622 -0.697 -1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.798 -2.233 -2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.048 -0.650 -5.021 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.546 -2.625 -4.841 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.800 -1.045 -7.099 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.593 -1.524 -7.266 1.00 0.00 H new ATOM 1132 N VAL A 78 -8.284 -4.225 -3.382 1.00 0.00 N ATOM 1133 CA VAL A 78 -7.533 -5.382 -3.854 1.00 0.00 C ATOM 1134 C VAL A 78 -7.606 -5.503 -5.372 1.00 0.00 C ATOM 1135 O VAL A 78 -8.650 -5.837 -5.930 1.00 0.00 O ATOM 1136 CB VAL A 78 -8.054 -6.686 -3.221 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -7.355 -7.892 -3.830 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -7.868 -6.657 -1.712 1.00 0.00 C ATOM 0 H VAL A 78 -9.022 -3.915 -4.014 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.496 -5.230 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.120 -6.770 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.736 -8.804 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.545 -7.919 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.282 -7.818 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.242 -7.586 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.809 -6.549 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.420 -5.815 -1.293 1.00 0.00 H new ATOM 1148 N GLY A 79 -6.487 -5.228 -6.036 1.00 0.00 N ATOM 1149 CA GLY A 79 -6.445 -5.311 -7.484 1.00 0.00 C ATOM 1150 C GLY A 79 -5.028 -5.336 -8.023 1.00 0.00 C ATOM 1151 O GLY A 79 -4.093 -5.695 -7.308 1.00 0.00 O ATOM 0 H GLY A 79 -5.610 -4.949 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.970 -6.210 -7.809 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.977 -4.460 -7.909 1.00 0.00 H new ATOM 1155 N GLU A 80 -4.870 -4.956 -9.286 1.00 0.00 N ATOM 1156 CA GLU A 80 -3.556 -4.940 -9.920 1.00 0.00 C ATOM 1157 C GLU A 80 -3.076 -3.508 -10.139 1.00 0.00 C ATOM 1158 O GLU A 80 -1.883 -3.221 -10.041 1.00 0.00 O ATOM 1159 CB GLU A 80 -3.600 -5.685 -11.255 1.00 0.00 C ATOM 1160 CG GLU A 80 -4.038 -7.134 -11.129 1.00 0.00 C ATOM 1161 CD GLU A 80 -5.546 -7.293 -11.161 1.00 0.00 C ATOM 1162 OE1 GLU A 80 -6.252 -6.296 -10.899 1.00 0.00 O ATOM 1163 OE2 GLU A 80 -6.020 -8.412 -11.447 1.00 0.00 O ATOM 0 H GLU A 80 -5.634 -4.655 -9.891 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.854 -5.443 -9.255 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.281 -5.166 -11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.611 -5.652 -11.713 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.598 -7.714 -11.940 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.653 -7.546 -10.196 1.00 0.00 H new ATOM 1170 N GLU A 81 -4.014 -2.614 -10.438 1.00 0.00 N ATOM 1171 CA GLU A 81 -3.686 -1.213 -10.673 1.00 0.00 C ATOM 1172 C GLU A 81 -2.753 -0.683 -9.588 1.00 0.00 C ATOM 1173 O GLU A 81 -2.854 -1.069 -8.422 1.00 0.00 O ATOM 1174 CB GLU A 81 -4.961 -0.369 -10.720 1.00 0.00 C ATOM 1175 CG GLU A 81 -5.571 -0.265 -12.108 1.00 0.00 C ATOM 1176 CD GLU A 81 -6.545 -1.389 -12.404 1.00 0.00 C ATOM 1177 OE1 GLU A 81 -7.339 -1.738 -11.506 1.00 0.00 O ATOM 1178 OE2 GLU A 81 -6.512 -1.919 -13.534 1.00 0.00 O ATOM 0 H GLU A 81 -5.006 -2.835 -10.523 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.176 -1.142 -11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.697 -0.799 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.737 0.633 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.086 0.691 -12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.775 -0.274 -12.852 1.00 0.00 H new ATOM 1185 N THR A 82 -1.842 0.203 -9.980 1.00 0.00 N ATOM 1186 CA THR A 82 -0.889 0.784 -9.043 1.00 0.00 C ATOM 1187 C THR A 82 -1.500 1.968 -8.301 1.00 0.00 C ATOM 1188 O THR A 82 -1.438 2.042 -7.074 1.00 0.00 O ATOM 1189 CB THR A 82 0.392 1.249 -9.761 1.00 0.00 C ATOM 1190 OG1 THR A 82 0.071 2.242 -10.741 1.00 0.00 O ATOM 1191 CG2 THR A 82 1.093 0.077 -10.430 1.00 0.00 C ATOM 0 H THR A 82 -1.745 0.533 -10.940 1.00 0.00 H new ATOM 0 HA THR A 82 -0.633 0.003 -8.327 1.00 0.00 H new ATOM 0 HB THR A 82 1.064 1.677 -9.017 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.891 2.534 -11.192 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.995 0.430 -10.930 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.362 -0.664 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.425 -0.376 -11.163 1.00 0.00 H new ATOM 1199 N ASN A 83 -2.090 2.891 -9.053 1.00 0.00 N ATOM 1200 CA ASN A 83 -2.713 4.071 -8.465 1.00 0.00 C ATOM 1201 C ASN A 83 -4.208 3.850 -8.255 1.00 0.00 C ATOM 1202 O ASN A 83 -4.925 3.468 -9.181 1.00 0.00 O ATOM 1203 CB ASN A 83 -2.487 5.292 -9.360 1.00 0.00 C ATOM 1204 CG ASN A 83 -3.584 6.328 -9.212 1.00 0.00 C ATOM 1205 OD1 ASN A 83 -4.346 6.579 -10.146 1.00 0.00 O ATOM 1206 ND2 ASN A 83 -3.670 6.936 -8.034 1.00 0.00 N ATOM 0 H ASN A 83 -2.150 2.845 -10.070 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.251 4.250 -7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.527 5.746 -9.115 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.432 4.971 -10.400 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.389 7.642 -7.876 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.017 6.697 -7.288 1.00 0.00 H new ATOM 1213 N ILE A 84 -4.671 4.094 -7.034 1.00 0.00 N ATOM 1214 CA ILE A 84 -6.080 3.924 -6.704 1.00 0.00 C ATOM 1215 C ILE A 84 -6.526 4.937 -5.654 1.00 0.00 C ATOM 1216 O ILE A 84 -5.700 5.576 -5.001 1.00 0.00 O ATOM 1217 CB ILE A 84 -6.369 2.503 -6.184 1.00 0.00 C ATOM 1218 CG1 ILE A 84 -5.922 2.369 -4.727 1.00 0.00 C ATOM 1219 CG2 ILE A 84 -5.671 1.469 -7.054 1.00 0.00 C ATOM 1220 CD1 ILE A 84 -6.980 2.788 -3.729 1.00 0.00 C ATOM 0 H ILE A 84 -4.091 4.410 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.641 4.087 -7.624 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.443 2.326 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.643 1.333 -4.535 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.028 2.974 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.885 0.470 -6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.032 1.552 -8.079 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.595 1.643 -7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.594 2.667 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.243 3.833 -3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.866 2.167 -3.856 1.00 0.00 H new ATOM 1232 N THR A 85 -7.838 5.079 -5.496 1.00 0.00 N ATOM 1233 CA THR A 85 -8.394 6.013 -4.526 1.00 0.00 C ATOM 1234 C THR A 85 -9.115 5.276 -3.403 1.00 0.00 C ATOM 1235 O THR A 85 -9.814 4.291 -3.641 1.00 0.00 O ATOM 1236 CB THR A 85 -9.376 6.996 -5.191 1.00 0.00 C ATOM 1237 OG1 THR A 85 -8.704 7.743 -6.212 1.00 0.00 O ATOM 1238 CG2 THR A 85 -9.967 7.950 -4.164 1.00 0.00 C ATOM 0 H THR A 85 -8.536 4.559 -6.028 1.00 0.00 H new ATOM 0 HA THR A 85 -7.556 6.572 -4.111 1.00 0.00 H new ATOM 0 HB THR A 85 -10.187 6.420 -5.636 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.335 8.365 -6.631 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.657 8.634 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.502 7.381 -3.404 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.166 8.520 -3.693 1.00 0.00 H new ATOM 1246 N LEU A 86 -8.941 5.759 -2.177 1.00 0.00 N ATOM 1247 CA LEU A 86 -9.575 5.146 -1.016 1.00 0.00 C ATOM 1248 C LEU A 86 -10.950 5.756 -0.761 1.00 0.00 C ATOM 1249 O LEU A 86 -11.225 6.884 -1.169 1.00 0.00 O ATOM 1250 CB LEU A 86 -8.692 5.316 0.221 1.00 0.00 C ATOM 1251 CG LEU A 86 -7.253 4.816 0.093 1.00 0.00 C ATOM 1252 CD1 LEU A 86 -6.442 5.200 1.321 1.00 0.00 C ATOM 1253 CD2 LEU A 86 -7.228 3.309 -0.115 1.00 0.00 C ATOM 0 H LEU A 86 -8.366 6.574 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.702 4.083 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.666 6.374 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.164 4.795 1.054 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.801 5.290 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.421 4.835 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.431 6.285 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.893 4.755 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.196 2.971 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.699 2.816 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.772 3.058 -1.026 1.00 0.00 H new ATOM 1265 N ASN A 87 -11.809 5.003 -0.082 1.00 0.00 N ATOM 1266 CA ASN A 87 -13.155 5.470 0.229 1.00 0.00 C ATOM 1267 C ASN A 87 -13.665 4.840 1.521 1.00 0.00 C ATOM 1268 O ASN A 87 -13.136 3.828 1.981 1.00 0.00 O ATOM 1269 CB ASN A 87 -14.109 5.144 -0.922 1.00 0.00 C ATOM 1270 CG ASN A 87 -14.060 6.182 -2.026 1.00 0.00 C ATOM 1271 OD1 ASN A 87 -14.953 7.021 -2.146 1.00 0.00 O ATOM 1272 ND2 ASN A 87 -13.012 6.129 -2.841 1.00 0.00 N ATOM 0 H ASN A 87 -11.597 4.067 0.263 1.00 0.00 H new ATOM 0 HA ASN A 87 -13.115 6.551 0.364 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -13.856 4.167 -1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -15.127 5.074 -0.538 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.924 6.801 -3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.295 5.416 -2.704 1.00 0.00 H new ATOM 1279 N ASP A 88 -14.695 5.445 2.102 1.00 0.00 N ATOM 1280 CA ASP A 88 -15.278 4.943 3.341 1.00 0.00 C ATOM 1281 C ASP A 88 -14.308 5.113 4.506 1.00 0.00 C ATOM 1282 O ASP A 88 -14.256 4.279 5.411 1.00 0.00 O ATOM 1283 CB ASP A 88 -15.659 3.470 3.189 1.00 0.00 C ATOM 1284 CG ASP A 88 -16.481 2.961 4.357 1.00 0.00 C ATOM 1285 OD1 ASP A 88 -17.439 3.655 4.756 1.00 0.00 O ATOM 1286 OD2 ASP A 88 -16.164 1.869 4.874 1.00 0.00 O ATOM 0 H ASP A 88 -15.144 6.284 1.735 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.176 5.523 3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -16.223 3.337 2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.753 2.871 3.098 1.00 0.00 H new ATOM 1291 N LEU A 89 -13.541 6.197 4.477 1.00 0.00 N ATOM 1292 CA LEU A 89 -12.571 6.476 5.530 1.00 0.00 C ATOM 1293 C LEU A 89 -13.160 7.416 6.577 1.00 0.00 C ATOM 1294 O LEU A 89 -14.263 7.937 6.410 1.00 0.00 O ATOM 1295 CB LEU A 89 -11.303 7.090 4.933 1.00 0.00 C ATOM 1296 CG LEU A 89 -10.571 6.240 3.894 1.00 0.00 C ATOM 1297 CD1 LEU A 89 -9.214 6.845 3.570 1.00 0.00 C ATOM 1298 CD2 LEU A 89 -10.415 4.809 4.390 1.00 0.00 C ATOM 0 H LEU A 89 -13.572 6.897 3.736 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.317 5.534 6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.566 8.043 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.611 7.309 5.747 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.166 6.224 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.708 6.227 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.350 7.851 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.611 6.892 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.892 4.218 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.842 4.806 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.399 4.377 4.570 1.00 0.00 H new ATOM 1310 N LYS A 90 -12.417 7.631 7.657 1.00 0.00 N ATOM 1311 CA LYS A 90 -12.862 8.510 8.731 1.00 0.00 C ATOM 1312 C LYS A 90 -12.223 9.889 8.606 1.00 0.00 C ATOM 1313 O LYS A 90 -11.002 10.041 8.660 1.00 0.00 O ATOM 1314 CB LYS A 90 -12.521 7.900 10.093 1.00 0.00 C ATOM 1315 CG LYS A 90 -13.578 6.940 10.611 1.00 0.00 C ATOM 1316 CD LYS A 90 -13.310 5.516 10.154 1.00 0.00 C ATOM 1317 CE LYS A 90 -14.357 4.552 10.691 1.00 0.00 C ATOM 1318 NZ LYS A 90 -14.501 3.350 9.823 1.00 0.00 N ATOM 0 H LYS A 90 -11.502 7.207 7.812 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.943 8.621 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.569 7.374 10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.385 8.703 10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.600 6.975 11.700 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.561 7.256 10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.303 5.478 9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.321 5.205 10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.082 4.241 11.699 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.317 5.063 10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.224 2.718 10.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.788 3.644 8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.592 2.848 9.772 1.00 0.00 H new ATOM 1332 N PRO A 91 -13.064 10.920 8.435 1.00 0.00 N ATOM 1333 CA PRO A 91 -12.603 12.305 8.300 1.00 0.00 C ATOM 1334 C PRO A 91 -12.037 12.856 9.604 1.00 0.00 C ATOM 1335 O PRO A 91 -12.486 12.492 10.690 1.00 0.00 O ATOM 1336 CB PRO A 91 -13.872 13.064 7.905 1.00 0.00 C ATOM 1337 CG PRO A 91 -14.990 12.242 8.445 1.00 0.00 C ATOM 1338 CD PRO A 91 -14.531 10.812 8.361 1.00 0.00 C ATOM 0 HA PRO A 91 -11.793 12.397 7.577 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.880 14.069 8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.947 13.173 6.823 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.216 12.519 9.475 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.901 12.394 7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -14.932 10.213 9.179 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.853 10.340 7.433 1.00 0.00 H new ATOM 1346 N ALA A 92 -11.048 13.737 9.489 1.00 0.00 N ATOM 1347 CA ALA A 92 -10.423 14.341 10.658 1.00 0.00 C ATOM 1348 C ALA A 92 -9.768 13.282 11.539 1.00 0.00 C ATOM 1349 O ALA A 92 -9.921 13.296 12.760 1.00 0.00 O ATOM 1350 CB ALA A 92 -11.448 15.133 11.456 1.00 0.00 C ATOM 0 H ALA A 92 -10.663 14.048 8.597 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.645 15.021 10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.966 15.578 12.326 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.867 15.921 10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.247 14.468 11.784 1.00 0.00 H new ATOM 1356 N MET A 93 -9.040 12.365 10.911 1.00 0.00 N ATOM 1357 CA MET A 93 -8.362 11.298 11.638 1.00 0.00 C ATOM 1358 C MET A 93 -6.996 11.005 11.025 1.00 0.00 C ATOM 1359 O MET A 93 -6.709 11.415 9.900 1.00 0.00 O ATOM 1360 CB MET A 93 -9.216 10.029 11.640 1.00 0.00 C ATOM 1361 CG MET A 93 -8.903 9.087 12.791 1.00 0.00 C ATOM 1362 SD MET A 93 -10.070 7.718 12.905 1.00 0.00 S ATOM 1363 CE MET A 93 -9.673 6.810 11.413 1.00 0.00 C ATOM 0 H MET A 93 -8.904 12.339 9.900 1.00 0.00 H new ATOM 0 HA MET A 93 -8.216 11.630 12.666 1.00 0.00 H new ATOM 0 HB2 MET A 93 -10.268 10.309 11.687 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.068 9.500 10.698 1.00 0.00 H new ATOM 0 HG2 MET A 93 -7.895 8.691 12.667 1.00 0.00 H new ATOM 0 HG3 MET A 93 -8.913 9.647 13.726 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.403 6.014 11.266 1.00 0.00 H new ATOM 0 HE2 MET A 93 -9.696 7.486 10.558 1.00 0.00 H new ATOM 0 HE3 MET A 93 -8.677 6.376 11.505 1.00 0.00 H new ATOM 1373 N ASP A 94 -6.158 10.293 11.771 1.00 0.00 N ATOM 1374 CA ASP A 94 -4.823 9.944 11.300 1.00 0.00 C ATOM 1375 C ASP A 94 -4.514 8.477 11.580 1.00 0.00 C ATOM 1376 O ASP A 94 -4.641 8.010 12.712 1.00 0.00 O ATOM 1377 CB ASP A 94 -3.774 10.835 11.968 1.00 0.00 C ATOM 1378 CG ASP A 94 -2.445 10.810 11.239 1.00 0.00 C ATOM 1379 OD1 ASP A 94 -2.305 10.015 10.286 1.00 0.00 O ATOM 1380 OD2 ASP A 94 -1.544 11.585 11.623 1.00 0.00 O ATOM 0 H ASP A 94 -6.380 9.946 12.704 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.792 10.104 10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.144 11.860 12.008 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.627 10.509 12.998 1.00 0.00 H new ATOM 1385 N TYR A 95 -4.110 7.754 10.541 1.00 0.00 N ATOM 1386 CA TYR A 95 -3.786 6.339 10.674 1.00 0.00 C ATOM 1387 C TYR A 95 -2.668 5.943 9.714 1.00 0.00 C ATOM 1388 O TYR A 95 -2.266 6.726 8.853 1.00 0.00 O ATOM 1389 CB TYR A 95 -5.027 5.484 10.410 1.00 0.00 C ATOM 1390 CG TYR A 95 -5.972 6.085 9.394 1.00 0.00 C ATOM 1391 CD1 TYR A 95 -6.823 7.127 9.739 1.00 0.00 C ATOM 1392 CD2 TYR A 95 -6.012 5.611 8.089 1.00 0.00 C ATOM 1393 CE1 TYR A 95 -7.688 7.679 8.815 1.00 0.00 C ATOM 1394 CE2 TYR A 95 -6.873 6.158 7.157 1.00 0.00 C ATOM 1395 CZ TYR A 95 -7.710 7.191 7.525 1.00 0.00 C ATOM 1396 OH TYR A 95 -8.569 7.739 6.600 1.00 0.00 O ATOM 0 H TYR A 95 -3.999 8.125 9.597 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.443 6.165 11.694 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.713 4.500 10.063 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.562 5.336 11.348 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.808 7.512 10.748 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.359 4.801 7.798 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.344 8.488 9.101 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.891 5.779 6.146 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.087 8.457 7.020 1.00 0.00 H new ATOM 1406 N HIS A 96 -2.170 4.720 9.869 1.00 0.00 N ATOM 1407 CA HIS A 96 -1.099 4.217 9.015 1.00 0.00 C ATOM 1408 C HIS A 96 -1.652 3.286 7.941 1.00 0.00 C ATOM 1409 O HIS A 96 -2.620 2.562 8.172 1.00 0.00 O ATOM 1410 CB HIS A 96 -0.053 3.483 9.854 1.00 0.00 C ATOM 1411 CG HIS A 96 0.287 4.182 11.135 1.00 0.00 C ATOM 1412 ND1 HIS A 96 -0.633 4.404 12.137 1.00 0.00 N ATOM 1413 CD2 HIS A 96 1.454 4.707 11.574 1.00 0.00 C ATOM 1414 CE1 HIS A 96 -0.047 5.038 13.137 1.00 0.00 C ATOM 1415 NE2 HIS A 96 1.220 5.233 12.821 1.00 0.00 N ATOM 0 H HIS A 96 -2.490 4.060 10.577 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.628 5.069 8.524 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.420 2.482 10.082 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.855 3.363 9.263 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.394 4.712 11.043 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.523 5.345 14.057 1.00 0.00 H new ATOM 0 HE2 HIS A 96 1.912 5.699 13.408 1.00 0.00 H new ATOM 1424 N ALA A 97 -1.031 3.312 6.766 1.00 0.00 N ATOM 1425 CA ALA A 97 -1.460 2.469 5.657 1.00 0.00 C ATOM 1426 C ALA A 97 -0.277 1.738 5.033 1.00 0.00 C ATOM 1427 O ALA A 97 0.858 2.214 5.084 1.00 0.00 O ATOM 1428 CB ALA A 97 -2.180 3.304 4.608 1.00 0.00 C ATOM 0 H ALA A 97 -0.230 3.908 6.558 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.150 1.721 6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.495 2.662 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.055 3.775 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.507 4.073 4.230 1.00 0.00 H new ATOM 1434 N LYS A 98 -0.547 0.578 4.444 1.00 0.00 N ATOM 1435 CA LYS A 98 0.495 -0.220 3.809 1.00 0.00 C ATOM 1436 C LYS A 98 -0.062 -0.994 2.618 1.00 0.00 C ATOM 1437 O LYS A 98 -1.269 -1.217 2.519 1.00 0.00 O ATOM 1438 CB LYS A 98 1.109 -1.191 4.819 1.00 0.00 C ATOM 1439 CG LYS A 98 1.180 -0.635 6.231 1.00 0.00 C ATOM 1440 CD LYS A 98 1.474 -1.727 7.246 1.00 0.00 C ATOM 1441 CE LYS A 98 2.200 -1.175 8.464 1.00 0.00 C ATOM 1442 NZ LYS A 98 2.596 -2.255 9.410 1.00 0.00 N ATOM 0 H LYS A 98 -1.480 0.169 4.393 1.00 0.00 H new ATOM 0 HA LYS A 98 1.269 0.458 3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.524 -2.111 4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.114 -1.456 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.955 0.130 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.236 -0.150 6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.541 -2.195 7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.080 -2.504 6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.088 -0.631 8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.557 -0.460 8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.088 -1.838 10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.747 -2.758 9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.230 -2.923 8.928 1.00 0.00 H new ATOM 1456 N VAL A 99 0.825 -1.403 1.716 1.00 0.00 N ATOM 1457 CA VAL A 99 0.422 -2.154 0.534 1.00 0.00 C ATOM 1458 C VAL A 99 1.201 -3.460 0.420 1.00 0.00 C ATOM 1459 O VAL A 99 2.432 -3.459 0.400 1.00 0.00 O ATOM 1460 CB VAL A 99 0.630 -1.332 -0.752 1.00 0.00 C ATOM 1461 CG1 VAL A 99 2.092 -1.353 -1.169 1.00 0.00 C ATOM 1462 CG2 VAL A 99 -0.259 -1.856 -1.869 1.00 0.00 C ATOM 0 H VAL A 99 1.827 -1.226 1.782 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.639 -2.376 0.647 1.00 0.00 H new ATOM 0 HB VAL A 99 0.350 -0.298 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.219 -0.767 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.703 -0.926 -0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.403 -2.381 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.099 -1.263 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.012 -2.898 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.304 -1.782 -1.567 1.00 0.00 H new ATOM 1472 N GLN A 100 0.476 -4.571 0.346 1.00 0.00 N ATOM 1473 CA GLN A 100 1.101 -5.884 0.235 1.00 0.00 C ATOM 1474 C GLN A 100 0.843 -6.494 -1.139 1.00 0.00 C ATOM 1475 O GLN A 100 -0.267 -6.419 -1.664 1.00 0.00 O ATOM 1476 CB GLN A 100 0.574 -6.816 1.327 1.00 0.00 C ATOM 1477 CG GLN A 100 1.211 -8.197 1.308 1.00 0.00 C ATOM 1478 CD GLN A 100 0.374 -9.236 2.028 1.00 0.00 C ATOM 1479 OE1 GLN A 100 -0.842 -9.091 2.156 1.00 0.00 O ATOM 1480 NE2 GLN A 100 1.023 -10.292 2.504 1.00 0.00 N ATOM 0 H GLN A 100 -0.544 -4.589 0.361 1.00 0.00 H new ATOM 0 HA GLN A 100 2.176 -5.760 0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.749 -6.357 2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.505 -6.921 1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.361 -8.509 0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.196 -8.145 1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.032 -10.371 2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.513 -11.024 2.999 1.00 0.00 H new ATOM 1489 N ALA A 101 1.877 -7.098 -1.716 1.00 0.00 N ATOM 1490 CA ALA A 101 1.763 -7.722 -3.028 1.00 0.00 C ATOM 1491 C ALA A 101 1.520 -9.223 -2.902 1.00 0.00 C ATOM 1492 O ALA A 101 2.017 -9.865 -1.977 1.00 0.00 O ATOM 1493 CB ALA A 101 3.014 -7.455 -3.851 1.00 0.00 C ATOM 0 H ALA A 101 2.803 -7.168 -1.295 1.00 0.00 H new ATOM 0 HA ALA A 101 0.906 -7.283 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.914 -7.927 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.143 -6.380 -3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.883 -7.866 -3.336 1.00 0.00 H new ATOM 1499 N GLU A 102 0.754 -9.774 -3.838 1.00 0.00 N ATOM 1500 CA GLU A 102 0.445 -11.199 -3.829 1.00 0.00 C ATOM 1501 C GLU A 102 0.348 -11.743 -5.252 1.00 0.00 C ATOM 1502 O GLU A 102 -0.341 -11.176 -6.099 1.00 0.00 O ATOM 1503 CB GLU A 102 -0.866 -11.455 -3.083 1.00 0.00 C ATOM 1504 CG GLU A 102 -1.614 -12.685 -3.571 1.00 0.00 C ATOM 1505 CD GLU A 102 -2.533 -12.383 -4.739 1.00 0.00 C ATOM 1506 OE1 GLU A 102 -3.165 -11.305 -4.735 1.00 0.00 O ATOM 1507 OE2 GLU A 102 -2.620 -13.224 -5.658 1.00 0.00 O ATOM 0 H GLU A 102 0.336 -9.256 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 102 1.254 -11.717 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.653 -11.568 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.511 -10.582 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.895 -13.449 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.200 -13.099 -2.750 1.00 0.00 H new ATOM 1514 N TYR A 103 1.044 -12.846 -5.505 1.00 0.00 N ATOM 1515 CA TYR A 103 1.039 -13.466 -6.825 1.00 0.00 C ATOM 1516 C TYR A 103 1.242 -14.974 -6.719 1.00 0.00 C ATOM 1517 O TYR A 103 2.053 -15.449 -5.926 1.00 0.00 O ATOM 1518 CB TYR A 103 2.132 -12.854 -7.703 1.00 0.00 C ATOM 1519 CG TYR A 103 1.828 -12.920 -9.183 1.00 0.00 C ATOM 1520 CD1 TYR A 103 1.724 -14.141 -9.837 1.00 0.00 C ATOM 1521 CD2 TYR A 103 1.644 -11.761 -9.926 1.00 0.00 C ATOM 1522 CE1 TYR A 103 1.448 -14.206 -11.189 1.00 0.00 C ATOM 1523 CE2 TYR A 103 1.365 -11.816 -11.278 1.00 0.00 C ATOM 1524 CZ TYR A 103 1.268 -13.041 -11.905 1.00 0.00 C ATOM 1525 OH TYR A 103 0.991 -13.101 -13.251 1.00 0.00 O ATOM 0 H TYR A 103 1.618 -13.329 -4.814 1.00 0.00 H new ATOM 0 HA TYR A 103 0.067 -13.279 -7.282 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.276 -11.812 -7.416 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.072 -13.370 -7.510 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.861 -15.055 -9.279 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.720 -10.800 -9.438 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.374 -15.164 -11.683 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.224 -10.905 -11.841 1.00 0.00 H new ATOM 0 HH TYR A 103 0.892 -12.193 -13.605 1.00 0.00 H new ATOM 1535 N ASN A 104 0.497 -15.723 -7.527 1.00 0.00 N ATOM 1536 CA ASN A 104 0.593 -17.178 -7.525 1.00 0.00 C ATOM 1537 C ASN A 104 0.312 -17.740 -6.135 1.00 0.00 C ATOM 1538 O ASN A 104 0.901 -18.742 -5.728 1.00 0.00 O ATOM 1539 CB ASN A 104 1.982 -17.618 -7.994 1.00 0.00 C ATOM 1540 CG ASN A 104 1.981 -19.024 -8.562 1.00 0.00 C ATOM 1541 OD1 ASN A 104 1.632 -19.984 -7.875 1.00 0.00 O ATOM 1542 ND2 ASN A 104 2.374 -19.152 -9.824 1.00 0.00 N ATOM 0 H ASN A 104 -0.179 -15.346 -8.191 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.157 -17.568 -8.213 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.344 -16.923 -8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.678 -17.568 -7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.395 -20.074 -10.261 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.655 -18.329 -10.357 1.00 0.00 H new ATOM 1549 N SER A 105 -0.594 -17.089 -5.412 1.00 0.00 N ATOM 1550 CA SER A 105 -0.952 -17.522 -4.066 1.00 0.00 C ATOM 1551 C SER A 105 0.243 -17.414 -3.124 1.00 0.00 C ATOM 1552 O SER A 105 0.416 -18.238 -2.225 1.00 0.00 O ATOM 1553 CB SER A 105 -1.467 -18.963 -4.091 1.00 0.00 C ATOM 1554 OG SER A 105 -2.556 -19.099 -4.987 1.00 0.00 O ATOM 0 H SER A 105 -1.093 -16.260 -5.735 1.00 0.00 H new ATOM 0 HA SER A 105 -1.742 -16.867 -3.699 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.662 -19.635 -4.387 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.777 -19.259 -3.089 1.00 0.00 H new ATOM 0 HG SER A 105 -2.866 -20.029 -4.986 1.00 0.00 H new ATOM 1560 N ILE A 106 1.066 -16.392 -3.338 1.00 0.00 N ATOM 1561 CA ILE A 106 2.245 -16.175 -2.508 1.00 0.00 C ATOM 1562 C ILE A 106 2.186 -14.818 -1.815 1.00 0.00 C ATOM 1563 O ILE A 106 2.459 -13.784 -2.425 1.00 0.00 O ATOM 1564 CB ILE A 106 3.540 -16.261 -3.337 1.00 0.00 C ATOM 1565 CG1 ILE A 106 3.636 -17.619 -4.034 1.00 0.00 C ATOM 1566 CG2 ILE A 106 4.753 -16.027 -2.449 1.00 0.00 C ATOM 1567 CD1 ILE A 106 4.659 -17.655 -5.148 1.00 0.00 C ATOM 0 H ILE A 106 0.938 -15.702 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 106 2.252 -16.964 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 106 3.518 -15.484 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.888 -18.380 -3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.659 -17.880 -4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.661 -16.091 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.687 -15.038 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.782 -16.784 -1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.673 -18.648 -5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.397 -16.917 -5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.645 -17.426 -4.744 1.00 0.00 H new ATOM 1579 N LYS A 107 1.830 -14.829 -0.535 1.00 0.00 N ATOM 1580 CA LYS A 107 1.739 -13.600 0.245 1.00 0.00 C ATOM 1581 C LYS A 107 3.095 -13.228 0.835 1.00 0.00 C ATOM 1582 O LYS A 107 3.727 -14.032 1.520 1.00 0.00 O ATOM 1583 CB LYS A 107 0.709 -13.758 1.365 1.00 0.00 C ATOM 1584 CG LYS A 107 -0.729 -13.738 0.877 1.00 0.00 C ATOM 1585 CD LYS A 107 -1.711 -13.698 2.036 1.00 0.00 C ATOM 1586 CE LYS A 107 -3.093 -13.256 1.580 1.00 0.00 C ATOM 1587 NZ LYS A 107 -3.963 -12.883 2.730 1.00 0.00 N ATOM 0 H LYS A 107 1.600 -15.676 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 107 1.421 -12.799 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.894 -14.697 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.849 -12.957 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.885 -12.870 0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.920 -14.621 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.776 -14.685 2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.344 -13.015 2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.998 -12.405 0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.563 -14.060 1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.896 -12.588 2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.075 -13.702 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.527 -12.098 3.255 1.00 0.00 H new ATOM 1601 N GLY A 108 3.537 -12.003 0.567 1.00 0.00 N ATOM 1602 CA GLY A 108 4.815 -11.546 1.080 1.00 0.00 C ATOM 1603 C GLY A 108 4.664 -10.625 2.275 1.00 0.00 C ATOM 1604 O GLY A 108 3.789 -10.826 3.117 1.00 0.00 O ATOM 0 H GLY A 108 3.032 -11.319 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.419 -12.408 1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.355 -11.025 0.289 1.00 0.00 H new ATOM 1608 N THR A 109 5.521 -9.611 2.351 1.00 0.00 N ATOM 1609 CA THR A 109 5.481 -8.657 3.452 1.00 0.00 C ATOM 1610 C THR A 109 5.040 -7.280 2.971 1.00 0.00 C ATOM 1611 O THR A 109 5.476 -6.791 1.928 1.00 0.00 O ATOM 1612 CB THR A 109 6.855 -8.533 4.138 1.00 0.00 C ATOM 1613 OG1 THR A 109 6.978 -9.519 5.169 1.00 0.00 O ATOM 1614 CG2 THR A 109 7.040 -7.145 4.731 1.00 0.00 C ATOM 0 H THR A 109 6.251 -9.430 1.662 1.00 0.00 H new ATOM 0 HA THR A 109 4.756 -9.036 4.172 1.00 0.00 H new ATOM 0 HB THR A 109 7.628 -8.695 3.387 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.855 -9.435 5.599 1.00 0.00 H new ATOM 0 HG21 THR A 109 8.017 -7.081 5.210 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.975 -6.399 3.939 1.00 0.00 H new ATOM 0 HG23 THR A 109 6.261 -6.958 5.470 1.00 0.00 H new ATOM 1622 N PRO A 110 4.155 -6.636 3.747 1.00 0.00 N ATOM 1623 CA PRO A 110 3.637 -5.305 3.420 1.00 0.00 C ATOM 1624 C PRO A 110 4.698 -4.219 3.560 1.00 0.00 C ATOM 1625 O PRO A 110 5.561 -4.291 4.435 1.00 0.00 O ATOM 1626 CB PRO A 110 2.520 -5.097 4.446 1.00 0.00 C ATOM 1627 CG PRO A 110 2.896 -5.966 5.596 1.00 0.00 C ATOM 1628 CD PRO A 110 3.593 -7.159 5.004 1.00 0.00 C ATOM 0 HA PRO A 110 3.301 -5.242 2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.448 -4.052 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.550 -5.379 4.037 1.00 0.00 H new ATOM 0 HG2 PRO A 110 3.550 -5.436 6.288 1.00 0.00 H new ATOM 0 HG3 PRO A 110 2.014 -6.270 6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 110 4.372 -7.539 5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 110 2.900 -7.981 4.823 1.00 0.00 H new ATOM 1636 N SER A 111 4.628 -3.213 2.694 1.00 0.00 N ATOM 1637 CA SER A 111 5.585 -2.114 2.720 1.00 0.00 C ATOM 1638 C SER A 111 5.518 -1.366 4.048 1.00 0.00 C ATOM 1639 O SER A 111 4.724 -1.707 4.924 1.00 0.00 O ATOM 1640 CB SER A 111 5.316 -1.148 1.564 1.00 0.00 C ATOM 1641 OG SER A 111 3.970 -0.704 1.573 1.00 0.00 O ATOM 0 H SER A 111 3.918 -3.137 1.966 1.00 0.00 H new ATOM 0 HA SER A 111 6.585 -2.533 2.609 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.985 -0.291 1.639 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.533 -1.641 0.616 1.00 0.00 H new ATOM 0 HG SER A 111 3.827 -0.110 2.339 1.00 0.00 H new ATOM 1647 N GLU A 112 6.358 -0.346 4.189 1.00 0.00 N ATOM 1648 CA GLU A 112 6.395 0.449 5.411 1.00 0.00 C ATOM 1649 C GLU A 112 5.022 1.039 5.718 1.00 0.00 C ATOM 1650 O GLU A 112 4.081 0.885 4.940 1.00 0.00 O ATOM 1651 CB GLU A 112 7.428 1.572 5.284 1.00 0.00 C ATOM 1652 CG GLU A 112 8.858 1.072 5.167 1.00 0.00 C ATOM 1653 CD GLU A 112 9.248 0.751 3.737 1.00 0.00 C ATOM 1654 OE1 GLU A 112 9.226 1.673 2.895 1.00 0.00 O ATOM 1655 OE2 GLU A 112 9.575 -0.422 3.460 1.00 0.00 O ATOM 0 H GLU A 112 7.022 -0.051 3.473 1.00 0.00 H new ATOM 0 HA GLU A 112 6.681 -0.208 6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.190 2.176 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.350 2.226 6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.537 1.827 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.979 0.180 5.782 1.00 0.00 H new ATOM 1662 N ALA A 113 4.916 1.715 6.857 1.00 0.00 N ATOM 1663 CA ALA A 113 3.659 2.329 7.267 1.00 0.00 C ATOM 1664 C ALA A 113 3.639 3.816 6.929 1.00 0.00 C ATOM 1665 O ALA A 113 4.447 4.589 7.441 1.00 0.00 O ATOM 1666 CB ALA A 113 3.432 2.122 8.757 1.00 0.00 C ATOM 0 H ALA A 113 5.686 1.851 7.512 1.00 0.00 H new ATOM 0 HA ALA A 113 2.851 1.847 6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.490 2.586 9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.394 1.055 8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 113 4.249 2.577 9.316 1.00 0.00 H new ATOM 1672 N GLU A 114 2.710 4.208 6.062 1.00 0.00 N ATOM 1673 CA GLU A 114 2.587 5.603 5.654 1.00 0.00 C ATOM 1674 C GLU A 114 1.409 6.272 6.355 1.00 0.00 C ATOM 1675 O GLU A 114 0.257 6.103 5.954 1.00 0.00 O ATOM 1676 CB GLU A 114 2.415 5.701 4.137 1.00 0.00 C ATOM 1677 CG GLU A 114 2.074 7.100 3.652 1.00 0.00 C ATOM 1678 CD GLU A 114 3.305 7.958 3.434 1.00 0.00 C ATOM 1679 OE1 GLU A 114 4.088 7.647 2.512 1.00 0.00 O ATOM 1680 OE2 GLU A 114 3.487 8.938 4.186 1.00 0.00 O ATOM 0 H GLU A 114 2.033 3.580 5.629 1.00 0.00 H new ATOM 0 HA GLU A 114 3.501 6.121 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.335 5.372 3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.628 5.015 3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.514 7.031 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.423 7.584 4.380 1.00 0.00 H new ATOM 1687 N ILE A 115 1.706 7.032 7.404 1.00 0.00 N ATOM 1688 CA ILE A 115 0.672 7.727 8.160 1.00 0.00 C ATOM 1689 C ILE A 115 0.211 8.986 7.433 1.00 0.00 C ATOM 1690 O ILE A 115 1.018 9.856 7.103 1.00 0.00 O ATOM 1691 CB ILE A 115 1.166 8.113 9.567 1.00 0.00 C ATOM 1692 CG1 ILE A 115 0.029 8.737 10.378 1.00 0.00 C ATOM 1693 CG2 ILE A 115 2.343 9.071 9.470 1.00 0.00 C ATOM 1694 CD1 ILE A 115 0.219 8.621 11.874 1.00 0.00 C ATOM 0 H ILE A 115 2.654 7.182 7.749 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.166 7.037 8.254 1.00 0.00 H new ATOM 0 HB ILE A 115 1.499 7.210 10.080 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.061 9.790 10.112 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.910 8.257 10.101 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.681 9.335 10.472 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.158 8.593 8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.035 9.973 8.942 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.625 9.085 12.385 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.278 7.569 12.153 1.00 0.00 H new ATOM 0 HD13 ILE A 115 1.141 9.126 12.164 1.00 0.00 H new ATOM 1706 N PHE A 116 -1.092 9.078 7.188 1.00 0.00 N ATOM 1707 CA PHE A 116 -1.661 10.231 6.501 1.00 0.00 C ATOM 1708 C PHE A 116 -2.931 10.708 7.199 1.00 0.00 C ATOM 1709 O PHE A 116 -3.846 9.924 7.455 1.00 0.00 O ATOM 1710 CB PHE A 116 -1.967 9.883 5.043 1.00 0.00 C ATOM 1711 CG PHE A 116 -3.069 8.874 4.886 1.00 0.00 C ATOM 1712 CD1 PHE A 116 -4.397 9.270 4.909 1.00 0.00 C ATOM 1713 CD2 PHE A 116 -2.778 7.530 4.716 1.00 0.00 C ATOM 1714 CE1 PHE A 116 -5.413 8.343 4.767 1.00 0.00 C ATOM 1715 CE2 PHE A 116 -3.789 6.599 4.572 1.00 0.00 C ATOM 1716 CZ PHE A 116 -5.109 7.007 4.596 1.00 0.00 C ATOM 0 H PHE A 116 -1.774 8.368 7.455 1.00 0.00 H new ATOM 0 HA PHE A 116 -0.928 11.037 6.529 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.240 10.794 4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.063 9.498 4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.641 10.314 5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.748 7.206 4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.444 8.664 4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.548 5.554 4.441 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.901 6.282 4.481 1.00 0.00 H new ATOM 1726 N THR A 117 -2.981 12.001 7.506 1.00 0.00 N ATOM 1727 CA THR A 117 -4.137 12.584 8.176 1.00 0.00 C ATOM 1728 C THR A 117 -5.147 13.115 7.166 1.00 0.00 C ATOM 1729 O THR A 117 -4.778 13.743 6.173 1.00 0.00 O ATOM 1730 CB THR A 117 -3.721 13.727 9.120 1.00 0.00 C ATOM 1731 OG1 THR A 117 -2.651 13.297 9.969 1.00 0.00 O ATOM 1732 CG2 THR A 117 -4.898 14.183 9.969 1.00 0.00 C ATOM 0 H THR A 117 -2.234 12.664 7.301 1.00 0.00 H new ATOM 0 HA THR A 117 -4.598 11.789 8.762 1.00 0.00 H new ATOM 0 HB THR A 117 -3.386 14.567 8.512 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.392 14.030 10.565 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.580 14.991 10.628 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.699 14.538 9.320 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.260 13.347 10.568 1.00 0.00 H new ATOM 1740 N THR A 118 -6.426 12.861 7.425 1.00 0.00 N ATOM 1741 CA THR A 118 -7.490 13.314 6.539 1.00 0.00 C ATOM 1742 C THR A 118 -8.157 14.574 7.079 1.00 0.00 C ATOM 1743 O THR A 118 -7.878 15.005 8.198 1.00 0.00 O ATOM 1744 CB THR A 118 -8.561 12.224 6.344 1.00 0.00 C ATOM 1745 OG1 THR A 118 -9.223 11.959 7.586 1.00 0.00 O ATOM 1746 CG2 THR A 118 -7.937 10.942 5.813 1.00 0.00 C ATOM 0 H THR A 118 -6.750 12.343 8.242 1.00 0.00 H new ATOM 0 HA THR A 118 -7.027 13.535 5.577 1.00 0.00 H new ATOM 0 HB THR A 118 -9.287 12.585 5.616 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.757 11.141 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.712 10.187 5.683 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.459 11.140 4.854 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.192 10.579 6.521 1.00 0.00 H new ATOM 1754 N LEU A 119 -9.040 15.160 6.278 1.00 0.00 N ATOM 1755 CA LEU A 119 -9.748 16.372 6.677 1.00 0.00 C ATOM 1756 C LEU A 119 -11.162 16.046 7.148 1.00 0.00 C ATOM 1757 O LEU A 119 -11.627 14.914 7.012 1.00 0.00 O ATOM 1758 CB LEU A 119 -9.802 17.361 5.511 1.00 0.00 C ATOM 1759 CG LEU A 119 -9.959 16.750 4.118 1.00 0.00 C ATOM 1760 CD1 LEU A 119 -10.607 17.745 3.169 1.00 0.00 C ATOM 1761 CD2 LEU A 119 -8.609 16.297 3.580 1.00 0.00 C ATOM 0 H LEU A 119 -9.283 14.816 5.349 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.204 16.826 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -10.632 18.047 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.889 17.957 5.524 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.608 15.878 4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.711 17.293 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.592 18.020 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.984 18.637 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.739 15.865 2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.937 17.153 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.183 15.549 4.249 1.00 0.00 H new ATOM 1773 N SER A 120 -11.841 17.046 7.700 1.00 0.00 N ATOM 1774 CA SER A 120 -13.202 16.866 8.193 1.00 0.00 C ATOM 1775 C SER A 120 -14.200 16.852 7.039 1.00 0.00 C ATOM 1776 O SER A 120 -13.849 17.147 5.896 1.00 0.00 O ATOM 1777 CB SER A 120 -13.561 17.979 9.179 1.00 0.00 C ATOM 1778 OG SER A 120 -13.588 19.241 8.536 1.00 0.00 O ATOM 0 H SER A 120 -11.471 17.989 7.817 1.00 0.00 H new ATOM 0 HA SER A 120 -13.252 15.906 8.706 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.534 17.774 9.625 1.00 0.00 H new ATOM 0 HB3 SER A 120 -12.835 17.997 9.992 1.00 0.00 H new ATOM 0 HG SER A 120 -13.822 19.935 9.187 1.00 0.00 H new ATOM 1784 N CYS A 121 -15.445 16.506 7.347 1.00 0.00 N ATOM 1785 CA CYS A 121 -16.496 16.452 6.336 1.00 0.00 C ATOM 1786 C CYS A 121 -16.286 17.529 5.276 1.00 0.00 C ATOM 1787 O CYS A 121 -16.602 17.328 4.104 1.00 0.00 O ATOM 1788 CB CYS A 121 -17.868 16.622 6.988 1.00 0.00 C ATOM 1789 SG CYS A 121 -18.160 18.268 7.678 1.00 0.00 S ATOM 0 H CYS A 121 -15.752 16.259 8.288 1.00 0.00 H new ATOM 0 HA CYS A 121 -16.451 15.477 5.851 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -18.639 16.408 6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -17.975 15.883 7.782 1.00 0.00 H new ATOM 0 HG CYS A 121 -19.348 18.313 8.205 1.00 0.00 H new