USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 893 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 111 CYS SG : rot 180:sc= -0.789 USER MOD Set 1.2: A 115 ASN : amide:sc= -0.241 K(o=-1,f=-0.34!) USER MOD Set 2.1: A 104 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0806) USER MOD Set 2.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.072 K(o=-0.072,f=-2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.5 K(o=-2.5,f=-5.4) USER MOD Single : A 15 GLN : amide:sc= -1.78! C(o=-1.8!,f=-5!) USER MOD Single : A 17 TYR OH : rot -33:sc= 1.02 USER MOD Single : A 20 ASN : amide:sc= -3.09! C(o=-3.1!,f=-3.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -9:sc= -1.24 USER MOD Single : A 36 MET CE :methyl -169:sc= -1.67 (180deg=-2.17) USER MOD Single : A 37 GLN : amide:sc= -0.046 K(o=-0.046,f=-3.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 44 ASN : amide:sc= -0.717 X(o=-0.72,f=-0.36) USER MOD Single : A 52 SER OG : rot 34:sc= 0.00136 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 61 ASN : amide:sc= -2 K(o=-2,f=-5.7!) USER MOD Single : A 74 ASN : amide:sc= -2.14! C(o=-2.1!,f=-5.2!) USER MOD Single : A 75 LYS NZ :NH3+ 165:sc=-0.00983 (180deg=-0.209) USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= -0.312 (180deg=-1.01) USER MOD Single : A 79 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.27) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 102 TYR OH : rot -58:sc= 0.47 USER MOD Single : A 103 MET CE :methyl -142:sc= 0 (180deg=-0.0448) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -60:sc= -0.634 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -154:sc= -0.159 (180deg=-0.811) USER MOD Single : A 117 SER OG : rot 180:sc= -0.784 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 110.997 -13.711 14.333 1.00 0.00 N ATOM 79 CA GLU A 8 110.548 -14.082 12.963 1.00 0.00 C ATOM 80 C GLU A 8 111.312 -13.220 11.956 1.00 0.00 C ATOM 81 O GLU A 8 111.736 -13.689 10.924 1.00 0.00 O ATOM 82 CB GLU A 8 109.029 -13.852 12.832 1.00 0.00 C ATOM 83 CG GLU A 8 108.260 -15.118 13.245 1.00 0.00 C ATOM 84 CD GLU A 8 108.792 -15.656 14.578 1.00 0.00 C ATOM 85 OE1 GLU A 8 109.196 -14.854 15.402 1.00 0.00 O ATOM 86 OE2 GLU A 8 108.789 -16.863 14.747 1.00 0.00 O ATOM 0 HA GLU A 8 110.750 -15.135 12.769 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.726 -13.013 13.459 1.00 0.00 H new ATOM 0 HB3 GLU A 8 108.782 -13.587 11.804 1.00 0.00 H new ATOM 0 HG2 GLU A 8 107.197 -14.893 13.335 1.00 0.00 H new ATOM 0 HG3 GLU A 8 108.360 -15.880 12.472 1.00 0.00 H new ATOM 93 N GLN A 9 111.511 -11.971 12.254 1.00 0.00 N ATOM 94 CA GLN A 9 112.274 -11.105 11.316 1.00 0.00 C ATOM 95 C GLN A 9 113.737 -11.554 11.337 1.00 0.00 C ATOM 96 O GLN A 9 114.447 -11.483 10.350 1.00 0.00 O ATOM 97 CB GLN A 9 112.188 -9.648 11.773 1.00 0.00 C ATOM 98 CG GLN A 9 110.767 -9.123 11.561 1.00 0.00 C ATOM 99 CD GLN A 9 110.635 -7.745 12.213 1.00 0.00 C ATOM 100 OE1 GLN A 9 111.432 -7.380 13.054 1.00 0.00 O ATOM 101 NE2 GLN A 9 109.653 -6.961 11.862 1.00 0.00 N ATOM 0 H GLN A 9 111.181 -11.512 13.103 1.00 0.00 H new ATOM 0 HA GLN A 9 111.862 -11.187 10.310 1.00 0.00 H new ATOM 0 HB2 GLN A 9 112.461 -9.570 12.825 1.00 0.00 H new ATOM 0 HB3 GLN A 9 112.898 -9.039 11.214 1.00 0.00 H new ATOM 0 HG2 GLN A 9 110.547 -9.057 10.496 1.00 0.00 H new ATOM 0 HG3 GLN A 9 110.043 -9.814 11.994 1.00 0.00 H new ATOM 0 HE21 GLN A 9 108.984 -7.267 11.156 1.00 0.00 H new ATOM 0 HE22 GLN A 9 109.555 -6.042 12.294 1.00 0.00 H new ATOM 110 N PHE A 10 114.188 -12.002 12.476 1.00 0.00 N ATOM 111 CA PHE A 10 115.601 -12.449 12.619 1.00 0.00 C ATOM 112 C PHE A 10 115.882 -13.659 11.715 1.00 0.00 C ATOM 113 O PHE A 10 116.821 -13.656 10.945 1.00 0.00 O ATOM 114 CB PHE A 10 115.822 -12.824 14.089 1.00 0.00 C ATOM 115 CG PHE A 10 117.264 -13.202 14.334 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.251 -12.209 14.364 1.00 0.00 C ATOM 117 CD2 PHE A 10 117.609 -14.542 14.554 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.584 -12.556 14.611 1.00 0.00 C ATOM 119 CE2 PHE A 10 118.943 -14.888 14.799 1.00 0.00 C ATOM 120 CZ PHE A 10 119.930 -13.895 14.828 1.00 0.00 C ATOM 0 H PHE A 10 113.629 -12.078 13.326 1.00 0.00 H new ATOM 0 HA PHE A 10 116.280 -11.650 12.320 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.547 -11.985 14.728 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.172 -13.656 14.359 1.00 0.00 H new ATOM 0 HD1 PHE A 10 117.984 -11.176 14.197 1.00 0.00 H new ATOM 0 HD2 PHE A 10 116.847 -15.307 14.535 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.346 -11.791 14.634 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.211 -15.921 14.966 1.00 0.00 H new ATOM 0 HZ PHE A 10 120.959 -14.162 15.018 1.00 0.00 H new ATOM 130 N LYS A 11 115.085 -14.690 11.782 1.00 0.00 N ATOM 131 CA LYS A 11 115.350 -15.866 10.903 1.00 0.00 C ATOM 132 C LYS A 11 115.243 -15.446 9.435 1.00 0.00 C ATOM 133 O LYS A 11 115.892 -16.005 8.574 1.00 0.00 O ATOM 134 CB LYS A 11 114.373 -17.010 11.212 1.00 0.00 C ATOM 135 CG LYS A 11 112.932 -16.592 10.893 1.00 0.00 C ATOM 136 CD LYS A 11 111.960 -17.739 11.235 1.00 0.00 C ATOM 137 CE LYS A 11 111.855 -18.719 10.059 1.00 0.00 C ATOM 138 NZ LYS A 11 111.070 -19.915 10.482 1.00 0.00 N ATOM 0 H LYS A 11 114.275 -14.770 12.396 1.00 0.00 H new ATOM 0 HA LYS A 11 116.360 -16.229 11.096 1.00 0.00 H new ATOM 0 HB2 LYS A 11 114.640 -17.891 10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.452 -17.289 12.263 1.00 0.00 H new ATOM 0 HG2 LYS A 11 112.669 -15.700 11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.845 -16.334 9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.306 -18.265 12.125 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.976 -17.333 11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.373 -18.235 9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.850 -19.020 9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 110.997 -20.581 9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 111.548 -20.380 11.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 110.117 -19.619 10.774 1.00 0.00 H new ATOM 152 N GLN A 12 114.439 -14.460 9.138 1.00 0.00 N ATOM 153 CA GLN A 12 114.315 -14.011 7.722 1.00 0.00 C ATOM 154 C GLN A 12 115.666 -13.465 7.239 1.00 0.00 C ATOM 155 O GLN A 12 115.988 -13.506 6.067 1.00 0.00 O ATOM 156 CB GLN A 12 113.234 -12.933 7.597 1.00 0.00 C ATOM 157 CG GLN A 12 111.854 -13.583 7.731 1.00 0.00 C ATOM 158 CD GLN A 12 110.770 -12.504 7.734 1.00 0.00 C ATOM 159 OE1 GLN A 12 111.006 -11.388 8.151 1.00 0.00 O ATOM 160 NE2 GLN A 12 109.581 -12.791 7.280 1.00 0.00 N ATOM 0 H GLN A 12 113.866 -13.949 9.810 1.00 0.00 H new ATOM 0 HA GLN A 12 114.027 -14.860 7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.368 -12.175 8.369 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.318 -12.427 6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 12 111.687 -14.276 6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 12 111.804 -14.164 8.652 1.00 0.00 H new ATOM 0 HE21 GLN A 12 109.381 -13.728 6.929 1.00 0.00 H new ATOM 0 HE22 GLN A 12 108.851 -12.079 7.276 1.00 0.00 H new ATOM 169 N VAL A 13 116.472 -12.943 8.121 1.00 0.00 N ATOM 170 CA VAL A 13 117.791 -12.420 7.666 1.00 0.00 C ATOM 171 C VAL A 13 118.708 -13.610 7.351 1.00 0.00 C ATOM 172 O VAL A 13 119.514 -13.560 6.444 1.00 0.00 O ATOM 173 CB VAL A 13 118.404 -11.495 8.751 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.323 -12.278 9.704 1.00 0.00 C ATOM 175 CG2 VAL A 13 119.216 -10.374 8.086 1.00 0.00 C ATOM 0 H VAL A 13 116.281 -12.856 9.119 1.00 0.00 H new ATOM 0 HA VAL A 13 117.670 -11.821 6.763 1.00 0.00 H new ATOM 0 HB VAL A 13 117.581 -11.073 9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 13 119.735 -11.600 10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 13 118.750 -13.060 10.201 1.00 0.00 H new ATOM 0 HG13 VAL A 13 120.136 -12.730 9.136 1.00 0.00 H new ATOM 0 HG21 VAL A 13 119.643 -9.729 8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 13 120.019 -10.810 7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 13 118.564 -9.786 7.440 1.00 0.00 H new ATOM 185 N ARG A 14 118.593 -14.682 8.088 1.00 0.00 N ATOM 186 CA ARG A 14 119.463 -15.861 7.809 1.00 0.00 C ATOM 187 C ARG A 14 119.212 -16.356 6.384 1.00 0.00 C ATOM 188 O ARG A 14 120.139 -16.656 5.657 1.00 0.00 O ATOM 189 CB ARG A 14 119.156 -16.972 8.820 1.00 0.00 C ATOM 190 CG ARG A 14 120.043 -18.193 8.546 1.00 0.00 C ATOM 191 CD ARG A 14 119.744 -19.292 9.571 1.00 0.00 C ATOM 192 NE ARG A 14 120.456 -18.978 10.851 1.00 0.00 N ATOM 193 CZ ARG A 14 119.789 -18.582 11.905 1.00 0.00 C ATOM 194 NH1 ARG A 14 118.654 -17.955 11.762 1.00 0.00 N ATOM 195 NH2 ARG A 14 120.263 -18.813 13.099 1.00 0.00 N ATOM 0 H ARG A 14 117.941 -14.792 8.864 1.00 0.00 H new ATOM 0 HA ARG A 14 120.511 -15.576 7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.326 -16.609 9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.105 -17.254 8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 14 119.864 -18.565 7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 14 121.094 -17.910 8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 14 118.670 -19.361 9.746 1.00 0.00 H new ATOM 0 HD3 ARG A 14 120.068 -20.260 9.189 1.00 0.00 H new ATOM 0 HE ARG A 14 121.470 -19.074 10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 14 118.286 -17.773 10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 14 118.135 -17.647 12.584 1.00 0.00 H new ATOM 0 HH21 ARG A 14 121.152 -19.301 13.209 1.00 0.00 H new ATOM 0 HH22 ARG A 14 119.745 -18.505 13.922 1.00 0.00 H new ATOM 209 N GLN A 15 117.979 -16.439 5.963 1.00 0.00 N ATOM 210 CA GLN A 15 117.721 -16.908 4.576 1.00 0.00 C ATOM 211 C GLN A 15 118.355 -15.932 3.577 1.00 0.00 C ATOM 212 O GLN A 15 118.728 -16.318 2.487 1.00 0.00 O ATOM 213 CB GLN A 15 116.219 -17.054 4.312 1.00 0.00 C ATOM 214 CG GLN A 15 115.501 -15.795 4.745 1.00 0.00 C ATOM 215 CD GLN A 15 114.005 -15.929 4.450 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.241 -15.020 4.706 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.553 -17.034 3.923 1.00 0.00 N ATOM 0 H GLN A 15 117.151 -16.206 6.512 1.00 0.00 H new ATOM 0 HA GLN A 15 118.173 -17.892 4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.042 -17.239 3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.826 -17.913 4.855 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.658 -15.623 5.810 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.910 -14.932 4.219 1.00 0.00 H new ATOM 0 HE21 GLN A 15 114.195 -17.797 3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.557 -17.135 3.726 1.00 0.00 H new ATOM 226 N LEU A 16 118.498 -14.669 3.925 1.00 0.00 N ATOM 227 CA LEU A 16 119.127 -13.721 2.952 1.00 0.00 C ATOM 228 C LEU A 16 120.560 -14.190 2.669 1.00 0.00 C ATOM 229 O LEU A 16 120.972 -14.321 1.534 1.00 0.00 O ATOM 230 CB LEU A 16 119.196 -12.305 3.539 1.00 0.00 C ATOM 231 CG LEU A 16 117.789 -11.733 3.771 1.00 0.00 C ATOM 232 CD1 LEU A 16 117.907 -10.373 4.478 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.062 -11.543 2.427 1.00 0.00 C ATOM 0 H LEU A 16 118.213 -14.265 4.817 1.00 0.00 H new ATOM 0 HA LEU A 16 118.527 -13.704 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.744 -12.325 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.750 -11.654 2.862 1.00 0.00 H new ATOM 0 HG LEU A 16 117.220 -12.428 4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 16 116.911 -9.962 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 16 118.411 -10.503 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 16 118.482 -9.688 3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.066 -11.137 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 16 117.628 -10.853 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 16 116.976 -12.504 1.921 1.00 0.00 H new ATOM 245 N TYR A 17 121.321 -14.450 3.696 1.00 0.00 N ATOM 246 CA TYR A 17 122.722 -14.919 3.489 1.00 0.00 C ATOM 247 C TYR A 17 122.706 -16.232 2.701 1.00 0.00 C ATOM 248 O TYR A 17 123.535 -16.466 1.844 1.00 0.00 O ATOM 249 CB TYR A 17 123.392 -15.151 4.851 1.00 0.00 C ATOM 250 CG TYR A 17 123.853 -13.835 5.430 1.00 0.00 C ATOM 251 CD1 TYR A 17 125.088 -13.304 5.043 1.00 0.00 C ATOM 252 CD2 TYR A 17 123.053 -13.152 6.354 1.00 0.00 C ATOM 253 CE1 TYR A 17 125.527 -12.087 5.576 1.00 0.00 C ATOM 254 CE2 TYR A 17 123.492 -11.934 6.890 1.00 0.00 C ATOM 255 CZ TYR A 17 124.729 -11.402 6.500 1.00 0.00 C ATOM 256 OH TYR A 17 125.161 -10.202 7.027 1.00 0.00 O ATOM 0 H TYR A 17 121.034 -14.358 4.670 1.00 0.00 H new ATOM 0 HA TYR A 17 123.280 -14.165 2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.691 -15.632 5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.241 -15.825 4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 17 125.704 -13.834 4.332 1.00 0.00 H new ATOM 0 HD2 TYR A 17 122.100 -13.563 6.653 1.00 0.00 H new ATOM 0 HE1 TYR A 17 126.480 -11.677 5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 17 122.877 -11.405 7.603 1.00 0.00 H new ATOM 0 HH TYR A 17 126.137 -10.214 7.110 1.00 0.00 H new ATOM 266 N GLU A 18 121.778 -17.096 3.003 1.00 0.00 N ATOM 267 CA GLU A 18 121.715 -18.409 2.292 1.00 0.00 C ATOM 268 C GLU A 18 121.398 -18.206 0.805 1.00 0.00 C ATOM 269 O GLU A 18 121.465 -19.134 0.023 1.00 0.00 O ATOM 270 CB GLU A 18 120.629 -19.278 2.925 1.00 0.00 C ATOM 271 CG GLU A 18 121.048 -19.665 4.346 1.00 0.00 C ATOM 272 CD GLU A 18 119.947 -20.507 4.994 1.00 0.00 C ATOM 273 OE1 GLU A 18 119.005 -19.923 5.502 1.00 0.00 O ATOM 274 OE2 GLU A 18 120.066 -21.721 4.972 1.00 0.00 O ATOM 0 H GLU A 18 121.059 -16.952 3.712 1.00 0.00 H new ATOM 0 HA GLU A 18 122.685 -18.899 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.683 -18.737 2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.469 -20.174 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 18 121.982 -20.227 4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 18 121.231 -18.769 4.939 1.00 0.00 H new ATOM 281 N ILE A 19 121.050 -17.013 0.398 1.00 0.00 N ATOM 282 CA ILE A 19 120.729 -16.794 -1.045 1.00 0.00 C ATOM 283 C ILE A 19 121.886 -17.301 -1.912 1.00 0.00 C ATOM 284 O ILE A 19 121.675 -17.993 -2.887 1.00 0.00 O ATOM 285 CB ILE A 19 120.501 -15.297 -1.301 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.189 -14.867 -0.640 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.425 -15.028 -2.808 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.085 -13.339 -0.643 1.00 0.00 C ATOM 0 H ILE A 19 120.974 -16.189 0.994 1.00 0.00 H new ATOM 0 HA ILE A 19 119.823 -17.343 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 19 121.331 -14.730 -0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.343 -15.300 -1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.146 -15.242 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 19 120.263 -13.964 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 19 121.359 -15.334 -3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.599 -15.595 -3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.150 -13.037 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 19 119.923 -12.916 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 19 119.108 -12.975 -1.670 1.00 0.00 H new ATOM 300 N ASN A 20 123.101 -16.978 -1.561 1.00 0.00 N ATOM 301 CA ASN A 20 124.262 -17.449 -2.362 1.00 0.00 C ATOM 302 C ASN A 20 125.537 -17.237 -1.547 1.00 0.00 C ATOM 303 O ASN A 20 125.593 -16.396 -0.672 1.00 0.00 O ATOM 304 CB ASN A 20 124.357 -16.646 -3.669 1.00 0.00 C ATOM 305 CG ASN A 20 123.347 -17.179 -4.687 1.00 0.00 C ATOM 306 OD1 ASN A 20 122.475 -16.458 -5.130 1.00 0.00 O ATOM 307 ND2 ASN A 20 123.429 -18.421 -5.079 1.00 0.00 N ATOM 0 H ASN A 20 123.338 -16.406 -0.751 1.00 0.00 H new ATOM 0 HA ASN A 20 124.137 -18.505 -2.601 1.00 0.00 H new ATOM 0 HB2 ASN A 20 124.165 -15.591 -3.472 1.00 0.00 H new ATOM 0 HB3 ASN A 20 125.366 -16.715 -4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 20 122.761 -18.787 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 20 124.161 -19.026 -4.707 1.00 0.00 H new ATOM 314 N ASP A 21 126.560 -17.991 -1.828 1.00 0.00 N ATOM 315 CA ASP A 21 127.836 -17.836 -1.073 1.00 0.00 C ATOM 316 C ASP A 21 128.710 -16.815 -1.797 1.00 0.00 C ATOM 317 O ASP A 21 129.910 -16.771 -1.618 1.00 0.00 O ATOM 318 CB ASP A 21 128.562 -19.182 -1.020 1.00 0.00 C ATOM 319 CG ASP A 21 129.709 -19.107 -0.012 1.00 0.00 C ATOM 320 OD1 ASP A 21 129.914 -18.040 0.544 1.00 0.00 O ATOM 321 OD2 ASP A 21 130.359 -20.119 0.192 1.00 0.00 O ATOM 0 H ASP A 21 126.569 -18.711 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 21 127.631 -17.498 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 21 127.866 -19.971 -0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 21 128.948 -19.438 -2.007 1.00 0.00 H new ATOM 326 N ASP A 22 128.114 -15.996 -2.622 1.00 0.00 N ATOM 327 CA ASP A 22 128.917 -14.982 -3.363 1.00 0.00 C ATOM 328 C ASP A 22 129.624 -14.058 -2.347 1.00 0.00 C ATOM 329 O ASP A 22 128.979 -13.540 -1.458 1.00 0.00 O ATOM 330 CB ASP A 22 127.984 -14.139 -4.236 1.00 0.00 C ATOM 331 CG ASP A 22 127.316 -15.031 -5.285 1.00 0.00 C ATOM 332 OD1 ASP A 22 128.026 -15.779 -5.936 1.00 0.00 O ATOM 333 OD2 ASP A 22 126.106 -14.950 -5.418 1.00 0.00 O ATOM 0 H ASP A 22 127.112 -15.985 -2.814 1.00 0.00 H new ATOM 0 HA ASP A 22 129.656 -15.483 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 22 127.226 -13.658 -3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 22 128.547 -13.344 -4.725 1.00 0.00 H new ATOM 338 N PRO A 23 130.924 -13.824 -2.454 1.00 0.00 N ATOM 339 CA PRO A 23 131.599 -12.922 -1.477 1.00 0.00 C ATOM 340 C PRO A 23 131.003 -11.502 -1.492 1.00 0.00 C ATOM 341 O PRO A 23 130.855 -10.870 -0.465 1.00 0.00 O ATOM 342 CB PRO A 23 133.068 -12.917 -1.962 1.00 0.00 C ATOM 343 CG PRO A 23 133.179 -13.814 -3.213 1.00 0.00 C ATOM 344 CD PRO A 23 131.796 -14.424 -3.508 1.00 0.00 C ATOM 0 HA PRO A 23 131.483 -13.259 -0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.385 -11.901 -2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.727 -13.283 -1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.525 -13.231 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.913 -14.603 -3.048 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.449 -14.170 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.814 -15.512 -3.444 1.00 0.00 H new ATOM 352 N LYS A 24 130.685 -10.993 -2.653 1.00 0.00 N ATOM 353 CA LYS A 24 130.127 -9.610 -2.737 1.00 0.00 C ATOM 354 C LYS A 24 128.820 -9.496 -1.943 1.00 0.00 C ATOM 355 O LYS A 24 128.648 -8.594 -1.147 1.00 0.00 O ATOM 356 CB LYS A 24 129.847 -9.273 -4.205 1.00 0.00 C ATOM 357 CG LYS A 24 129.489 -7.790 -4.328 1.00 0.00 C ATOM 358 CD LYS A 24 129.125 -7.458 -5.781 1.00 0.00 C ATOM 359 CE LYS A 24 130.361 -7.580 -6.683 1.00 0.00 C ATOM 360 NZ LYS A 24 130.146 -6.777 -7.920 1.00 0.00 N ATOM 0 H LYS A 24 130.787 -11.474 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 24 130.854 -8.916 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 24 130.722 -9.499 -4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 24 129.029 -9.888 -4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 24 128.652 -7.554 -3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 24 130.330 -7.176 -4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 24 128.344 -8.133 -6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 24 128.722 -6.447 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 24 131.247 -7.227 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 24 130.537 -8.625 -6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 130.981 -6.856 -8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 129.309 -7.134 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 129.997 -5.780 -7.665 1.00 0.00 H new ATOM 374 N ARG A 25 127.896 -10.392 -2.154 1.00 0.00 N ATOM 375 CA ARG A 25 126.601 -10.315 -1.412 1.00 0.00 C ATOM 376 C ARG A 25 126.837 -10.534 0.082 1.00 0.00 C ATOM 377 O ARG A 25 126.320 -9.814 0.913 1.00 0.00 O ATOM 378 CB ARG A 25 125.643 -11.378 -1.965 1.00 0.00 C ATOM 379 CG ARG A 25 124.317 -11.368 -1.191 1.00 0.00 C ATOM 380 CD ARG A 25 123.388 -12.438 -1.768 1.00 0.00 C ATOM 381 NE ARG A 25 122.932 -12.024 -3.128 1.00 0.00 N ATOM 382 CZ ARG A 25 121.860 -11.289 -3.268 1.00 0.00 C ATOM 383 NH1 ARG A 25 121.383 -10.628 -2.249 1.00 0.00 N ATOM 384 NH2 ARG A 25 121.266 -11.217 -4.427 1.00 0.00 N ATOM 0 H ARG A 25 127.979 -11.173 -2.805 1.00 0.00 H new ATOM 0 HA ARG A 25 126.160 -9.327 -1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.454 -11.190 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 25 126.104 -12.363 -1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.498 -11.559 -0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 25 123.848 -10.386 -1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 25 123.908 -13.394 -1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.529 -12.580 -1.113 1.00 0.00 H new ATOM 0 HE ARG A 25 123.459 -12.316 -3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 25 121.847 -10.685 -1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 25 120.547 -10.055 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 25 121.638 -11.734 -5.224 1.00 0.00 H new ATOM 0 HH22 ARG A 25 120.430 -10.644 -4.537 1.00 0.00 H new ATOM 398 N LYS A 26 127.605 -11.524 0.433 1.00 0.00 N ATOM 399 CA LYS A 26 127.864 -11.790 1.874 1.00 0.00 C ATOM 400 C LYS A 26 128.526 -10.566 2.514 1.00 0.00 C ATOM 401 O LYS A 26 128.113 -10.098 3.556 1.00 0.00 O ATOM 402 CB LYS A 26 128.785 -13.006 1.999 1.00 0.00 C ATOM 403 CG LYS A 26 129.020 -13.335 3.474 1.00 0.00 C ATOM 404 CD LYS A 26 129.937 -14.556 3.580 1.00 0.00 C ATOM 405 CE LYS A 26 130.165 -14.914 5.052 1.00 0.00 C ATOM 406 NZ LYS A 26 130.579 -16.342 5.153 1.00 0.00 N ATOM 0 H LYS A 26 128.066 -12.162 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 26 126.923 -11.991 2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.340 -13.863 1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.736 -12.804 1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.471 -12.482 3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.070 -13.535 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 26 129.492 -15.402 3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 26 130.891 -14.348 3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 26 130.933 -14.270 5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 26 129.253 -14.747 5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 130.735 -16.589 6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 129.832 -16.949 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 131.460 -16.487 4.619 1.00 0.00 H new ATOM 420 N GLU A 27 129.556 -10.054 1.902 1.00 0.00 N ATOM 421 CA GLU A 27 130.254 -8.870 2.478 1.00 0.00 C ATOM 422 C GLU A 27 129.291 -7.683 2.541 1.00 0.00 C ATOM 423 O GLU A 27 129.280 -6.934 3.499 1.00 0.00 O ATOM 424 CB GLU A 27 131.450 -8.510 1.595 1.00 0.00 C ATOM 425 CG GLU A 27 132.524 -9.592 1.723 1.00 0.00 C ATOM 426 CD GLU A 27 133.131 -9.551 3.126 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.000 -8.528 3.778 1.00 0.00 O ATOM 428 OE2 GLU A 27 133.711 -10.546 3.527 1.00 0.00 O ATOM 0 H GLU A 27 129.946 -10.404 1.027 1.00 0.00 H new ATOM 0 HA GLU A 27 130.599 -9.107 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 27 131.134 -8.418 0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 27 131.856 -7.543 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 27 132.090 -10.573 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 27 133.302 -9.437 0.975 1.00 0.00 H new ATOM 435 N PHE A 28 128.481 -7.502 1.534 1.00 0.00 N ATOM 436 CA PHE A 28 127.524 -6.364 1.553 1.00 0.00 C ATOM 437 C PHE A 28 126.591 -6.494 2.760 1.00 0.00 C ATOM 438 O PHE A 28 126.397 -5.557 3.509 1.00 0.00 O ATOM 439 CB PHE A 28 126.702 -6.363 0.259 1.00 0.00 C ATOM 440 CG PHE A 28 125.572 -5.368 0.382 1.00 0.00 C ATOM 441 CD1 PHE A 28 125.766 -4.030 0.021 1.00 0.00 C ATOM 442 CD2 PHE A 28 124.332 -5.791 0.869 1.00 0.00 C ATOM 443 CE1 PHE A 28 124.715 -3.114 0.152 1.00 0.00 C ATOM 444 CE2 PHE A 28 123.283 -4.879 0.996 1.00 0.00 C ATOM 445 CZ PHE A 28 123.474 -3.540 0.639 1.00 0.00 C ATOM 0 H PHE A 28 128.442 -8.091 0.703 1.00 0.00 H new ATOM 0 HA PHE A 28 128.077 -5.428 1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.338 -6.105 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.304 -7.360 0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 28 126.724 -3.705 -0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 28 124.185 -6.824 1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 28 124.862 -2.080 -0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 28 122.324 -5.207 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.663 -2.834 0.739 1.00 0.00 H new ATOM 455 N LEU A 29 126.001 -7.640 2.947 1.00 0.00 N ATOM 456 CA LEU A 29 125.070 -7.814 4.095 1.00 0.00 C ATOM 457 C LEU A 29 125.817 -7.565 5.408 1.00 0.00 C ATOM 458 O LEU A 29 125.311 -6.924 6.305 1.00 0.00 O ATOM 459 CB LEU A 29 124.517 -9.244 4.088 1.00 0.00 C ATOM 460 CG LEU A 29 123.720 -9.508 2.797 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.566 -11.019 2.598 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.322 -8.885 2.894 1.00 0.00 C ATOM 0 H LEU A 29 126.123 -8.462 2.356 1.00 0.00 H new ATOM 0 HA LEU A 29 124.249 -7.102 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.337 -9.958 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.875 -9.396 4.956 1.00 0.00 H new ATOM 0 HG LEU A 29 124.257 -9.064 1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 29 123.002 -11.210 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.552 -11.478 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 29 123.035 -11.446 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.772 -9.081 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.787 -9.322 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.413 -7.809 3.041 1.00 0.00 H new ATOM 474 N ASP A 30 127.018 -8.058 5.533 1.00 0.00 N ATOM 475 CA ASP A 30 127.775 -7.831 6.798 1.00 0.00 C ATOM 476 C ASP A 30 127.966 -6.331 7.032 1.00 0.00 C ATOM 477 O ASP A 30 127.862 -5.849 8.142 1.00 0.00 O ATOM 478 CB ASP A 30 129.149 -8.500 6.707 1.00 0.00 C ATOM 479 CG ASP A 30 128.988 -10.020 6.762 1.00 0.00 C ATOM 480 OD1 ASP A 30 127.959 -10.470 7.238 1.00 0.00 O ATOM 481 OD2 ASP A 30 129.899 -10.708 6.333 1.00 0.00 O ATOM 0 H ASP A 30 127.505 -8.603 4.822 1.00 0.00 H new ATOM 0 HA ASP A 30 127.210 -8.260 7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 30 129.644 -8.211 5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.783 -8.162 7.526 1.00 0.00 H new ATOM 486 N ASP A 31 128.268 -5.591 6.001 1.00 0.00 N ATOM 487 CA ASP A 31 128.494 -4.126 6.173 1.00 0.00 C ATOM 488 C ASP A 31 127.170 -3.382 6.410 1.00 0.00 C ATOM 489 O ASP A 31 127.040 -2.625 7.350 1.00 0.00 O ATOM 490 CB ASP A 31 129.168 -3.577 4.915 1.00 0.00 C ATOM 491 CG ASP A 31 130.606 -4.096 4.837 1.00 0.00 C ATOM 492 OD1 ASP A 31 131.131 -4.489 5.867 1.00 0.00 O ATOM 493 OD2 ASP A 31 131.159 -4.092 3.749 1.00 0.00 O ATOM 0 H ASP A 31 128.368 -5.936 5.046 1.00 0.00 H new ATOM 0 HA ASP A 31 129.130 -3.972 7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 31 128.612 -3.882 4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 31 129.164 -2.487 4.934 1.00 0.00 H new ATOM 498 N LEU A 32 126.197 -3.569 5.557 1.00 0.00 N ATOM 499 CA LEU A 32 124.900 -2.846 5.733 1.00 0.00 C ATOM 500 C LEU A 32 124.251 -3.193 7.074 1.00 0.00 C ATOM 501 O LEU A 32 123.936 -2.320 7.856 1.00 0.00 O ATOM 502 CB LEU A 32 123.954 -3.215 4.577 1.00 0.00 C ATOM 503 CG LEU A 32 122.524 -2.730 4.862 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.526 -1.232 5.180 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.662 -2.985 3.628 1.00 0.00 C ATOM 0 H LEU A 32 126.243 -4.189 4.748 1.00 0.00 H new ATOM 0 HA LEU A 32 125.094 -1.773 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.315 -2.770 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.954 -4.295 4.433 1.00 0.00 H new ATOM 0 HG LEU A 32 122.123 -3.271 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.507 -0.901 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.146 -1.047 6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.926 -0.680 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.644 -2.645 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 32 122.074 -2.441 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.652 -4.052 3.405 1.00 0.00 H new ATOM 517 N PHE A 33 124.024 -4.444 7.342 1.00 0.00 N ATOM 518 CA PHE A 33 123.364 -4.802 8.629 1.00 0.00 C ATOM 519 C PHE A 33 124.220 -4.311 9.798 1.00 0.00 C ATOM 520 O PHE A 33 123.709 -3.831 10.786 1.00 0.00 O ATOM 521 CB PHE A 33 123.168 -6.320 8.716 1.00 0.00 C ATOM 522 CG PHE A 33 121.952 -6.712 7.903 1.00 0.00 C ATOM 523 CD1 PHE A 33 122.060 -6.822 6.513 1.00 0.00 C ATOM 524 CD2 PHE A 33 120.721 -6.961 8.532 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.948 -7.186 5.750 1.00 0.00 C ATOM 526 CE2 PHE A 33 119.609 -7.323 7.759 1.00 0.00 C ATOM 527 CZ PHE A 33 119.725 -7.438 6.370 1.00 0.00 C ATOM 0 H PHE A 33 124.262 -5.229 6.736 1.00 0.00 H new ATOM 0 HA PHE A 33 122.386 -4.323 8.677 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.052 -6.835 8.341 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.039 -6.623 9.755 1.00 0.00 H new ATOM 0 HD1 PHE A 33 123.005 -6.625 6.029 1.00 0.00 H new ATOM 0 HD2 PHE A 33 120.632 -6.874 9.605 1.00 0.00 H new ATOM 0 HE1 PHE A 33 121.036 -7.272 4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 33 118.660 -7.514 8.238 1.00 0.00 H new ATOM 0 HZ PHE A 33 118.868 -7.722 5.778 1.00 0.00 H new ATOM 537 N SER A 34 125.514 -4.435 9.701 1.00 0.00 N ATOM 538 CA SER A 34 126.390 -3.986 10.822 1.00 0.00 C ATOM 539 C SER A 34 126.206 -2.487 11.100 1.00 0.00 C ATOM 540 O SER A 34 126.095 -2.074 12.234 1.00 0.00 O ATOM 541 CB SER A 34 127.851 -4.250 10.467 1.00 0.00 C ATOM 542 OG SER A 34 128.144 -3.649 9.213 1.00 0.00 O ATOM 0 H SER A 34 126.003 -4.827 8.896 1.00 0.00 H new ATOM 0 HA SER A 34 126.112 -4.545 11.715 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.504 -3.844 11.240 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.038 -5.323 10.422 1.00 0.00 H new ATOM 0 HG SER A 34 127.313 -3.336 8.798 1.00 0.00 H new ATOM 548 N PHE A 35 126.193 -1.657 10.094 1.00 0.00 N ATOM 549 CA PHE A 35 126.035 -0.196 10.364 1.00 0.00 C ATOM 550 C PHE A 35 124.705 0.058 11.083 1.00 0.00 C ATOM 551 O PHE A 35 124.663 0.665 12.135 1.00 0.00 O ATOM 552 CB PHE A 35 126.060 0.575 9.041 1.00 0.00 C ATOM 553 CG PHE A 35 125.948 2.054 9.321 1.00 0.00 C ATOM 554 CD1 PHE A 35 127.106 2.814 9.519 1.00 0.00 C ATOM 555 CD2 PHE A 35 124.689 2.664 9.387 1.00 0.00 C ATOM 556 CE1 PHE A 35 127.007 4.186 9.783 1.00 0.00 C ATOM 557 CE2 PHE A 35 124.590 4.035 9.651 1.00 0.00 C ATOM 558 CZ PHE A 35 125.749 4.796 9.849 1.00 0.00 C ATOM 0 H PHE A 35 126.283 -1.918 9.112 1.00 0.00 H new ATOM 0 HA PHE A 35 126.855 0.144 10.997 1.00 0.00 H new ATOM 0 HB2 PHE A 35 126.984 0.365 8.502 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.238 0.251 8.403 1.00 0.00 H new ATOM 0 HD1 PHE A 35 128.076 2.343 9.468 1.00 0.00 H new ATOM 0 HD2 PHE A 35 123.795 2.077 9.234 1.00 0.00 H new ATOM 0 HE1 PHE A 35 127.901 4.773 9.936 1.00 0.00 H new ATOM 0 HE2 PHE A 35 123.620 4.506 9.702 1.00 0.00 H new ATOM 0 HZ PHE A 35 125.672 5.854 10.053 1.00 0.00 H new ATOM 568 N MET A 36 123.623 -0.407 10.526 1.00 0.00 N ATOM 569 CA MET A 36 122.289 -0.205 11.176 1.00 0.00 C ATOM 570 C MET A 36 122.181 -1.053 12.453 1.00 0.00 C ATOM 571 O MET A 36 121.290 -0.867 13.257 1.00 0.00 O ATOM 572 CB MET A 36 121.188 -0.621 10.200 1.00 0.00 C ATOM 573 CG MET A 36 121.384 -2.089 9.828 1.00 0.00 C ATOM 574 SD MET A 36 120.405 -2.486 8.356 1.00 0.00 S ATOM 575 CE MET A 36 119.041 -3.332 9.190 1.00 0.00 C ATOM 0 H MET A 36 123.600 -0.921 9.645 1.00 0.00 H new ATOM 0 HA MET A 36 122.179 0.847 11.441 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.208 -0.475 10.653 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.222 0.002 9.306 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.439 -2.288 9.639 1.00 0.00 H new ATOM 0 HG3 MET A 36 121.083 -2.727 10.659 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.416 -3.831 8.450 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.441 -4.071 9.885 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.443 -2.605 9.739 1.00 0.00 H new ATOM 585 N GLN A 37 123.067 -1.995 12.634 1.00 0.00 N ATOM 586 CA GLN A 37 122.998 -2.874 13.845 1.00 0.00 C ATOM 587 C GLN A 37 123.001 -2.020 15.114 1.00 0.00 C ATOM 588 O GLN A 37 122.780 -2.519 16.199 1.00 0.00 O ATOM 589 CB GLN A 37 124.189 -3.845 13.867 1.00 0.00 C ATOM 590 CG GLN A 37 124.099 -4.767 15.087 1.00 0.00 C ATOM 591 CD GLN A 37 125.126 -5.891 14.951 1.00 0.00 C ATOM 592 OE1 GLN A 37 125.727 -6.060 13.908 1.00 0.00 O ATOM 593 NE2 GLN A 37 125.356 -6.676 15.968 1.00 0.00 N ATOM 0 H GLN A 37 123.838 -2.197 11.997 1.00 0.00 H new ATOM 0 HA GLN A 37 122.074 -3.450 13.805 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.200 -4.439 12.953 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.124 -3.285 13.894 1.00 0.00 H new ATOM 0 HG2 GLN A 37 124.283 -4.200 16.000 1.00 0.00 H new ATOM 0 HG3 GLN A 37 123.095 -5.184 15.168 1.00 0.00 H new ATOM 0 HE21 GLN A 37 124.853 -6.536 16.844 1.00 0.00 H new ATOM 0 HE22 GLN A 37 126.039 -7.429 15.887 1.00 0.00 H new ATOM 602 N LYS A 38 123.245 -0.737 15.002 1.00 0.00 N ATOM 603 CA LYS A 38 123.257 0.119 16.228 1.00 0.00 C ATOM 604 C LYS A 38 122.026 -0.218 17.077 1.00 0.00 C ATOM 605 O LYS A 38 122.117 -0.384 18.277 1.00 0.00 O ATOM 606 CB LYS A 38 123.225 1.598 15.825 1.00 0.00 C ATOM 607 CG LYS A 38 123.325 2.472 17.081 1.00 0.00 C ATOM 608 CD LYS A 38 123.294 3.952 16.688 1.00 0.00 C ATOM 609 CE LYS A 38 123.395 4.817 17.949 1.00 0.00 C ATOM 610 NZ LYS A 38 122.976 6.213 17.633 1.00 0.00 N ATOM 0 H LYS A 38 123.434 -0.250 14.126 1.00 0.00 H new ATOM 0 HA LYS A 38 124.163 -0.069 16.804 1.00 0.00 H new ATOM 0 HB2 LYS A 38 124.050 1.820 15.148 1.00 0.00 H new ATOM 0 HB3 LYS A 38 122.303 1.820 15.287 1.00 0.00 H new ATOM 0 HG2 LYS A 38 122.500 2.249 17.757 1.00 0.00 H new ATOM 0 HG3 LYS A 38 124.247 2.248 17.618 1.00 0.00 H new ATOM 0 HD2 LYS A 38 124.119 4.177 16.012 1.00 0.00 H new ATOM 0 HD3 LYS A 38 122.372 4.178 16.152 1.00 0.00 H new ATOM 0 HE2 LYS A 38 122.762 4.406 18.736 1.00 0.00 H new ATOM 0 HE3 LYS A 38 124.418 4.810 18.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 123.045 6.799 18.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 123.597 6.603 16.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 121.993 6.212 17.293 1.00 0.00 H new ATOM 624 N ARG A 39 120.884 -0.372 16.461 1.00 0.00 N ATOM 625 CA ARG A 39 119.674 -0.758 17.241 1.00 0.00 C ATOM 626 C ARG A 39 119.853 -2.209 17.698 1.00 0.00 C ATOM 627 O ARG A 39 119.494 -2.571 18.802 1.00 0.00 O ATOM 628 CB ARG A 39 118.421 -0.636 16.368 1.00 0.00 C ATOM 629 CG ARG A 39 118.227 0.817 15.901 1.00 0.00 C ATOM 630 CD ARG A 39 117.823 1.724 17.074 1.00 0.00 C ATOM 631 NE ARG A 39 116.712 1.091 17.843 1.00 0.00 N ATOM 632 CZ ARG A 39 115.483 1.179 17.410 1.00 0.00 C ATOM 633 NH1 ARG A 39 115.165 0.680 16.247 1.00 0.00 N ATOM 634 NH2 ARG A 39 114.572 1.761 18.140 1.00 0.00 N ATOM 0 H ARG A 39 120.738 -0.248 15.459 1.00 0.00 H new ATOM 0 HA ARG A 39 119.554 -0.099 18.101 1.00 0.00 H new ATOM 0 HB2 ARG A 39 118.508 -1.293 15.503 1.00 0.00 H new ATOM 0 HB3 ARG A 39 117.546 -0.963 16.930 1.00 0.00 H new ATOM 0 HG2 ARG A 39 119.150 1.185 15.453 1.00 0.00 H new ATOM 0 HG3 ARG A 39 117.460 0.855 15.127 1.00 0.00 H new ATOM 0 HD2 ARG A 39 118.679 1.893 17.727 1.00 0.00 H new ATOM 0 HD3 ARG A 39 117.510 2.699 16.701 1.00 0.00 H new ATOM 0 HE ARG A 39 116.913 0.589 18.708 1.00 0.00 H new ATOM 0 HH11 ARG A 39 115.876 0.222 15.677 1.00 0.00 H new ATOM 0 HH12 ARG A 39 114.205 0.748 15.908 1.00 0.00 H new ATOM 0 HH21 ARG A 39 114.819 2.148 19.051 1.00 0.00 H new ATOM 0 HH22 ARG A 39 113.613 1.829 17.800 1.00 0.00 H new ATOM 648 N GLY A 40 120.432 -3.036 16.857 1.00 0.00 N ATOM 649 CA GLY A 40 120.674 -4.468 17.226 1.00 0.00 C ATOM 650 C GLY A 40 119.717 -5.399 16.473 1.00 0.00 C ATOM 651 O GLY A 40 119.902 -6.599 16.471 1.00 0.00 O ATOM 0 H GLY A 40 120.750 -2.777 15.923 1.00 0.00 H new ATOM 0 HA2 GLY A 40 121.705 -4.737 16.996 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.543 -4.598 18.300 1.00 0.00 H new ATOM 655 N THR A 41 118.697 -4.867 15.836 1.00 0.00 N ATOM 656 CA THR A 41 117.725 -5.738 15.086 1.00 0.00 C ATOM 657 C THR A 41 117.856 -5.489 13.571 1.00 0.00 C ATOM 658 O THR A 41 118.300 -4.438 13.154 1.00 0.00 O ATOM 659 CB THR A 41 116.293 -5.408 15.558 1.00 0.00 C ATOM 660 OG1 THR A 41 116.241 -4.051 15.976 1.00 0.00 O ATOM 661 CG2 THR A 41 115.907 -6.313 16.736 1.00 0.00 C ATOM 0 H THR A 41 118.494 -3.868 15.802 1.00 0.00 H new ATOM 0 HA THR A 41 117.942 -6.788 15.283 1.00 0.00 H new ATOM 0 HB THR A 41 115.597 -5.573 14.736 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.333 -3.835 16.275 1.00 0.00 H new ATOM 0 HG21 THR A 41 114.895 -6.073 17.063 1.00 0.00 H new ATOM 0 HG22 THR A 41 115.950 -7.356 16.423 1.00 0.00 H new ATOM 0 HG23 THR A 41 116.602 -6.153 17.560 1.00 0.00 H new ATOM 669 N PRO A 42 117.472 -6.451 12.746 1.00 0.00 N ATOM 670 CA PRO A 42 117.567 -6.281 11.267 1.00 0.00 C ATOM 671 C PRO A 42 116.850 -5.013 10.764 1.00 0.00 C ATOM 672 O PRO A 42 116.684 -4.047 11.482 1.00 0.00 O ATOM 673 CB PRO A 42 116.885 -7.564 10.733 1.00 0.00 C ATOM 674 CG PRO A 42 116.413 -8.411 11.931 1.00 0.00 C ATOM 675 CD PRO A 42 116.933 -7.764 13.221 1.00 0.00 C ATOM 0 HA PRO A 42 118.595 -6.154 10.928 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.038 -7.305 10.097 1.00 0.00 H new ATOM 0 HB3 PRO A 42 117.582 -8.134 10.119 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.325 -8.469 11.948 1.00 0.00 H new ATOM 0 HG3 PRO A 42 116.785 -9.432 11.843 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.138 -7.632 13.955 1.00 0.00 H new ATOM 0 HD3 PRO A 42 117.706 -8.370 13.693 1.00 0.00 H new ATOM 683 N ILE A 43 116.436 -5.022 9.525 1.00 0.00 N ATOM 684 CA ILE A 43 115.741 -3.839 8.941 1.00 0.00 C ATOM 685 C ILE A 43 114.338 -3.699 9.556 1.00 0.00 C ATOM 686 O ILE A 43 114.114 -4.061 10.693 1.00 0.00 O ATOM 687 CB ILE A 43 115.687 -4.023 7.404 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.610 -2.644 6.700 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.480 -4.903 6.987 1.00 0.00 C ATOM 690 CD1 ILE A 43 117.014 -2.036 6.551 1.00 0.00 C ATOM 0 H ILE A 43 116.551 -5.808 8.886 1.00 0.00 H new ATOM 0 HA ILE A 43 116.280 -2.919 9.166 1.00 0.00 H new ATOM 0 HB ILE A 43 116.600 -4.531 7.094 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.150 -2.756 5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 43 114.975 -1.970 7.275 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.468 -5.014 5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.568 -5.885 7.452 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.554 -4.429 7.313 1.00 0.00 H new ATOM 0 HD11 ILE A 43 116.941 -1.068 6.055 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.460 -1.905 7.537 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.638 -2.703 5.956 1.00 0.00 H new ATOM 702 N ASN A 44 113.396 -3.169 8.822 1.00 0.00 N ATOM 703 CA ASN A 44 112.024 -2.999 9.376 1.00 0.00 C ATOM 704 C ASN A 44 111.265 -4.323 9.268 1.00 0.00 C ATOM 705 O ASN A 44 110.696 -4.804 10.227 1.00 0.00 O ATOM 706 CB ASN A 44 111.285 -1.934 8.564 1.00 0.00 C ATOM 707 CG ASN A 44 112.052 -0.613 8.629 1.00 0.00 C ATOM 708 OD1 ASN A 44 112.817 -0.299 7.739 1.00 0.00 O ATOM 709 ND2 ASN A 44 111.876 0.184 9.645 1.00 0.00 N ATOM 0 H ASN A 44 113.519 -2.847 7.862 1.00 0.00 H new ATOM 0 HA ASN A 44 112.086 -2.695 10.421 1.00 0.00 H new ATOM 0 HB2 ASN A 44 111.185 -2.257 7.528 1.00 0.00 H new ATOM 0 HB3 ASN A 44 110.276 -1.800 8.955 1.00 0.00 H new ATOM 0 HD21 ASN A 44 112.380 1.070 9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 44 111.234 -0.078 10.393 1.00 0.00 H new ATOM 716 N ARG A 45 111.258 -4.920 8.108 1.00 0.00 N ATOM 717 CA ARG A 45 110.543 -6.215 7.944 1.00 0.00 C ATOM 718 C ARG A 45 111.057 -6.919 6.687 1.00 0.00 C ATOM 719 O ARG A 45 111.574 -6.294 5.782 1.00 0.00 O ATOM 720 CB ARG A 45 109.039 -5.958 7.816 1.00 0.00 C ATOM 721 CG ARG A 45 108.287 -7.291 7.861 1.00 0.00 C ATOM 722 CD ARG A 45 106.778 -7.027 7.897 1.00 0.00 C ATOM 723 NE ARG A 45 106.342 -6.452 6.593 1.00 0.00 N ATOM 724 CZ ARG A 45 105.072 -6.396 6.293 1.00 0.00 C ATOM 725 NH1 ARG A 45 104.315 -5.473 6.822 1.00 0.00 N ATOM 726 NH2 ARG A 45 104.559 -7.261 5.461 1.00 0.00 N ATOM 0 H ARG A 45 111.716 -4.567 7.268 1.00 0.00 H new ATOM 0 HA ARG A 45 110.724 -6.847 8.814 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.700 -5.310 8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.826 -5.440 6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.541 -7.893 6.989 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.588 -7.861 8.740 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.241 -7.954 8.095 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.538 -6.340 8.708 1.00 0.00 H new ATOM 0 HE ARG A 45 107.037 -6.102 5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 45 104.715 -4.795 7.470 1.00 0.00 H new ATOM 0 HH12 ARG A 45 103.323 -5.430 6.587 1.00 0.00 H new ATOM 0 HH21 ARG A 45 105.150 -7.981 5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 45 103.567 -7.217 5.227 1.00 0.00 H new ATOM 740 N LEU A 46 110.920 -8.218 6.626 1.00 0.00 N ATOM 741 CA LEU A 46 111.394 -8.987 5.433 1.00 0.00 C ATOM 742 C LEU A 46 110.309 -9.986 5.009 1.00 0.00 C ATOM 743 O LEU A 46 110.394 -11.156 5.327 1.00 0.00 O ATOM 744 CB LEU A 46 112.668 -9.757 5.807 1.00 0.00 C ATOM 745 CG LEU A 46 113.864 -8.788 5.930 1.00 0.00 C ATOM 746 CD1 LEU A 46 114.918 -9.380 6.870 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.503 -8.561 4.552 1.00 0.00 C ATOM 0 H LEU A 46 110.496 -8.786 7.359 1.00 0.00 H new ATOM 0 HA LEU A 46 111.602 -8.301 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.519 -10.283 6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 46 112.880 -10.512 5.050 1.00 0.00 H new ATOM 0 HG LEU A 46 113.503 -7.839 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.759 -8.692 6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.479 -9.537 7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.267 -10.333 6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 46 115.345 -7.876 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.853 -9.513 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.764 -8.133 3.874 1.00 0.00 H new ATOM 759 N PRO A 47 109.290 -9.547 4.302 1.00 0.00 N ATOM 760 CA PRO A 47 108.212 -10.478 3.871 1.00 0.00 C ATOM 761 C PRO A 47 108.745 -11.571 2.934 1.00 0.00 C ATOM 762 O PRO A 47 109.851 -11.485 2.435 1.00 0.00 O ATOM 763 CB PRO A 47 107.206 -9.542 3.167 1.00 0.00 C ATOM 764 CG PRO A 47 107.749 -8.097 3.233 1.00 0.00 C ATOM 765 CD PRO A 47 109.144 -8.123 3.885 1.00 0.00 C ATOM 0 HA PRO A 47 107.765 -11.031 4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 47 107.067 -9.847 2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.231 -9.602 3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 47 107.808 -7.669 2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 47 107.074 -7.466 3.810 1.00 0.00 H new ATOM 0 HD2 PRO A 47 109.923 -7.825 3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 47 109.205 -7.445 4.736 1.00 0.00 H new ATOM 773 N ILE A 48 107.967 -12.599 2.701 1.00 0.00 N ATOM 774 CA ILE A 48 108.413 -13.710 1.809 1.00 0.00 C ATOM 775 C ILE A 48 107.534 -13.727 0.562 1.00 0.00 C ATOM 776 O ILE A 48 106.321 -13.739 0.643 1.00 0.00 O ATOM 777 CB ILE A 48 108.248 -15.045 2.538 1.00 0.00 C ATOM 778 CG1 ILE A 48 108.891 -14.967 3.932 1.00 0.00 C ATOM 779 CG2 ILE A 48 108.913 -16.155 1.719 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.356 -14.530 3.829 1.00 0.00 C ATOM 0 H ILE A 48 107.033 -12.715 3.095 1.00 0.00 H new ATOM 0 HA ILE A 48 109.458 -13.562 1.536 1.00 0.00 H new ATOM 0 HB ILE A 48 107.187 -15.264 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.339 -14.262 4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.830 -15.939 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.797 -17.108 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.442 -16.215 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 48 109.974 -15.934 1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.792 -14.481 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 48 110.909 -15.250 3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.410 -13.547 3.361 1.00 0.00 H new ATOM 841 N SER A 52 110.305 -16.950 -2.965 1.00 0.00 N ATOM 842 CA SER A 52 111.470 -16.007 -2.961 1.00 0.00 C ATOM 843 C SER A 52 111.377 -15.064 -1.758 1.00 0.00 C ATOM 844 O SER A 52 110.320 -14.858 -1.195 1.00 0.00 O ATOM 845 CB SER A 52 111.448 -15.184 -4.250 1.00 0.00 C ATOM 846 OG SER A 52 111.845 -16.007 -5.338 1.00 0.00 O ATOM 0 HA SER A 52 112.397 -16.577 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 52 110.448 -14.787 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 52 112.119 -14.330 -4.161 1.00 0.00 H new ATOM 0 HG SER A 52 111.536 -16.924 -5.184 1.00 0.00 H new ATOM 852 N VAL A 53 112.487 -14.482 -1.371 1.00 0.00 N ATOM 853 CA VAL A 53 112.504 -13.533 -0.212 1.00 0.00 C ATOM 854 C VAL A 53 112.784 -12.125 -0.737 1.00 0.00 C ATOM 855 O VAL A 53 113.588 -11.938 -1.628 1.00 0.00 O ATOM 856 CB VAL A 53 113.615 -13.938 0.763 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.501 -13.118 2.053 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.487 -15.427 1.089 1.00 0.00 C ATOM 0 H VAL A 53 113.394 -14.626 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 53 111.544 -13.558 0.303 1.00 0.00 H new ATOM 0 HB VAL A 53 114.585 -13.747 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 53 114.294 -13.411 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 53 113.597 -12.058 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 53 112.532 -13.302 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 53 114.276 -15.717 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 53 112.516 -15.617 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 53 113.578 -16.009 0.172 1.00 0.00 H new ATOM 868 N LEU A 54 112.125 -11.130 -0.209 1.00 0.00 N ATOM 869 CA LEU A 54 112.367 -9.746 -0.707 1.00 0.00 C ATOM 870 C LEU A 54 113.839 -9.388 -0.473 1.00 0.00 C ATOM 871 O LEU A 54 114.235 -9.006 0.610 1.00 0.00 O ATOM 872 CB LEU A 54 111.458 -8.773 0.053 1.00 0.00 C ATOM 873 CG LEU A 54 111.604 -7.352 -0.512 1.00 0.00 C ATOM 874 CD1 LEU A 54 111.039 -7.284 -1.943 1.00 0.00 C ATOM 875 CD2 LEU A 54 110.836 -6.381 0.392 1.00 0.00 C ATOM 0 H LEU A 54 111.436 -11.213 0.538 1.00 0.00 H new ATOM 0 HA LEU A 54 112.145 -9.681 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.420 -9.098 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.714 -8.778 1.112 1.00 0.00 H new ATOM 0 HG LEU A 54 112.659 -7.081 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.149 -6.271 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.584 -7.978 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.983 -7.554 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 54 110.932 -5.368 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.783 -6.662 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.246 -6.421 1.401 1.00 0.00 H new ATOM 887 N ASP A 55 114.652 -9.531 -1.486 1.00 0.00 N ATOM 888 CA ASP A 55 116.107 -9.226 -1.345 1.00 0.00 C ATOM 889 C ASP A 55 116.342 -7.715 -1.231 1.00 0.00 C ATOM 890 O ASP A 55 116.104 -6.969 -2.160 1.00 0.00 O ATOM 891 CB ASP A 55 116.849 -9.754 -2.574 1.00 0.00 C ATOM 892 CG ASP A 55 118.354 -9.531 -2.400 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.723 -8.759 -1.530 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.111 -10.136 -3.141 1.00 0.00 O ATOM 0 H ASP A 55 114.368 -9.849 -2.413 1.00 0.00 H new ATOM 0 HA ASP A 55 116.477 -9.706 -0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.642 -10.816 -2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.497 -9.244 -3.471 1.00 0.00 H new ATOM 899 N LEU A 56 116.840 -7.264 -0.112 1.00 0.00 N ATOM 900 CA LEU A 56 117.128 -5.809 0.047 1.00 0.00 C ATOM 901 C LEU A 56 118.143 -5.381 -1.014 1.00 0.00 C ATOM 902 O LEU A 56 118.073 -4.296 -1.558 1.00 0.00 O ATOM 903 CB LEU A 56 117.715 -5.538 1.434 1.00 0.00 C ATOM 904 CG LEU A 56 116.651 -5.765 2.515 1.00 0.00 C ATOM 905 CD1 LEU A 56 117.325 -5.720 3.888 1.00 0.00 C ATOM 906 CD2 LEU A 56 115.555 -4.680 2.436 1.00 0.00 C ATOM 0 H LEU A 56 117.060 -7.840 0.700 1.00 0.00 H new ATOM 0 HA LEU A 56 116.201 -5.247 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 56 118.568 -6.194 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 56 118.084 -4.514 1.487 1.00 0.00 H new ATOM 0 HG LEU A 56 116.182 -6.737 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 56 116.578 -5.880 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 56 118.083 -6.501 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 56 117.795 -4.747 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 56 114.810 -4.859 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 56 116.004 -3.698 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 56 115.077 -4.717 1.457 1.00 0.00 H new ATOM 918 N TYR A 57 119.104 -6.220 -1.289 1.00 0.00 N ATOM 919 CA TYR A 57 120.154 -5.871 -2.289 1.00 0.00 C ATOM 920 C TYR A 57 119.489 -5.415 -3.593 1.00 0.00 C ATOM 921 O TYR A 57 119.925 -4.474 -4.227 1.00 0.00 O ATOM 922 CB TYR A 57 121.015 -7.122 -2.560 1.00 0.00 C ATOM 923 CG TYR A 57 122.383 -6.727 -3.094 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.500 -6.082 -4.334 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.536 -7.010 -2.346 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.757 -5.718 -4.821 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.797 -6.647 -2.834 1.00 0.00 C ATOM 928 CZ TYR A 57 124.908 -5.997 -4.072 1.00 0.00 C ATOM 929 OH TYR A 57 126.150 -5.639 -4.555 1.00 0.00 O ATOM 0 H TYR A 57 119.208 -7.140 -0.860 1.00 0.00 H new ATOM 0 HA TYR A 57 120.779 -5.065 -1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 57 121.130 -7.697 -1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.511 -7.768 -3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.615 -5.866 -4.914 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.450 -7.509 -1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.842 -5.221 -5.776 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.683 -6.867 -2.258 1.00 0.00 H new ATOM 0 HH TYR A 57 126.840 -5.904 -3.912 1.00 0.00 H new ATOM 939 N GLU A 58 118.450 -6.079 -4.007 1.00 0.00 N ATOM 940 CA GLU A 58 117.787 -5.694 -5.284 1.00 0.00 C ATOM 941 C GLU A 58 117.282 -4.251 -5.204 1.00 0.00 C ATOM 942 O GLU A 58 117.446 -3.485 -6.131 1.00 0.00 O ATOM 943 CB GLU A 58 116.610 -6.638 -5.544 1.00 0.00 C ATOM 944 CG GLU A 58 115.920 -6.269 -6.862 1.00 0.00 C ATOM 945 CD GLU A 58 114.752 -7.225 -7.107 1.00 0.00 C ATOM 946 OE1 GLU A 58 114.631 -8.183 -6.362 1.00 0.00 O ATOM 947 OE2 GLU A 58 114.000 -6.984 -8.037 1.00 0.00 O ATOM 0 H GLU A 58 118.030 -6.870 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 58 118.507 -5.768 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 58 116.963 -7.669 -5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.897 -6.578 -4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 58 115.561 -5.241 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 58 116.631 -6.327 -7.686 1.00 0.00 H new ATOM 954 N LEU A 59 116.672 -3.865 -4.120 1.00 0.00 N ATOM 955 CA LEU A 59 116.169 -2.466 -4.033 1.00 0.00 C ATOM 956 C LEU A 59 117.346 -1.503 -4.180 1.00 0.00 C ATOM 957 O LEU A 59 117.301 -0.568 -4.955 1.00 0.00 O ATOM 958 CB LEU A 59 115.485 -2.243 -2.673 1.00 0.00 C ATOM 959 CG LEU A 59 115.064 -0.767 -2.507 1.00 0.00 C ATOM 960 CD1 LEU A 59 114.061 -0.373 -3.600 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.418 -0.579 -1.131 1.00 0.00 C ATOM 0 H LEU A 59 116.501 -4.448 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 59 115.445 -2.287 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.609 -2.887 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 59 116.164 -2.525 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 59 115.946 -0.133 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.773 0.670 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 59 114.521 -0.504 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 59 113.176 -1.005 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 59 114.119 0.462 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.541 -1.221 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 59 115.134 -0.844 -0.353 1.00 0.00 H new ATOM 973 N TYR A 60 118.393 -1.709 -3.432 1.00 0.00 N ATOM 974 CA TYR A 60 119.551 -0.783 -3.530 1.00 0.00 C ATOM 975 C TYR A 60 120.123 -0.777 -4.952 1.00 0.00 C ATOM 976 O TYR A 60 120.376 0.269 -5.515 1.00 0.00 O ATOM 977 CB TYR A 60 120.648 -1.175 -2.537 1.00 0.00 C ATOM 978 CG TYR A 60 121.669 -0.067 -2.534 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.304 1.198 -2.060 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.955 -0.281 -3.041 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.217 2.245 -2.092 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.878 0.771 -3.064 1.00 0.00 C ATOM 983 CZ TYR A 60 123.506 2.035 -2.591 1.00 0.00 C ATOM 984 OH TYR A 60 124.400 3.080 -2.625 1.00 0.00 O ATOM 0 H TYR A 60 118.496 -2.472 -2.763 1.00 0.00 H new ATOM 0 HA TYR A 60 119.196 0.218 -3.286 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.231 -1.315 -1.540 1.00 0.00 H new ATOM 0 HB3 TYR A 60 121.108 -2.120 -2.826 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.311 1.361 -1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 60 123.235 -1.255 -3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.931 3.222 -1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.875 0.608 -3.446 1.00 0.00 H new ATOM 0 HH TYR A 60 125.251 2.770 -2.998 1.00 0.00 H new ATOM 994 N ASN A 61 120.354 -1.924 -5.538 1.00 0.00 N ATOM 995 CA ASN A 61 120.931 -1.936 -6.911 1.00 0.00 C ATOM 996 C ASN A 61 120.004 -1.162 -7.864 1.00 0.00 C ATOM 997 O ASN A 61 120.457 -0.414 -8.708 1.00 0.00 O ATOM 998 CB ASN A 61 121.114 -3.410 -7.371 1.00 0.00 C ATOM 999 CG ASN A 61 119.993 -3.847 -8.329 1.00 0.00 C ATOM 1000 OD1 ASN A 61 118.966 -4.333 -7.899 1.00 0.00 O ATOM 1001 ND2 ASN A 61 120.153 -3.686 -9.615 1.00 0.00 N ATOM 0 H ASN A 61 120.170 -2.840 -5.130 1.00 0.00 H new ATOM 0 HA ASN A 61 121.906 -1.448 -6.918 1.00 0.00 H new ATOM 0 HB2 ASN A 61 122.079 -3.520 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 61 121.125 -4.065 -6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 61 119.415 -3.968 -10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 61 121.016 -3.278 -9.974 1.00 0.00 H new ATOM 1008 N LEU A 62 118.715 -1.336 -7.739 1.00 0.00 N ATOM 1009 CA LEU A 62 117.781 -0.607 -8.645 1.00 0.00 C ATOM 1010 C LEU A 62 117.863 0.898 -8.376 1.00 0.00 C ATOM 1011 O LEU A 62 117.821 1.700 -9.286 1.00 0.00 O ATOM 1012 CB LEU A 62 116.343 -1.065 -8.386 1.00 0.00 C ATOM 1013 CG LEU A 62 116.147 -2.522 -8.828 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.772 -2.997 -8.348 1.00 0.00 C ATOM 1015 CD2 LEU A 62 116.230 -2.639 -10.362 1.00 0.00 C ATOM 0 H LEU A 62 118.271 -1.947 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 62 118.062 -0.818 -9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 62 116.111 -0.968 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.649 -0.420 -8.925 1.00 0.00 H new ATOM 0 HG LEU A 62 116.933 -3.140 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.617 -4.032 -8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.723 -2.929 -7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.997 -2.369 -8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 62 116.089 -3.679 -10.656 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.453 -2.025 -10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 62 117.208 -2.296 -10.701 1.00 0.00 H new ATOM 1027 N VAL A 63 117.962 1.292 -7.135 1.00 0.00 N ATOM 1028 CA VAL A 63 118.026 2.750 -6.822 1.00 0.00 C ATOM 1029 C VAL A 63 119.254 3.383 -7.482 1.00 0.00 C ATOM 1030 O VAL A 63 119.154 4.390 -8.153 1.00 0.00 O ATOM 1031 CB VAL A 63 118.085 2.933 -5.302 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.417 4.391 -4.959 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.720 2.568 -4.708 1.00 0.00 C ATOM 0 H VAL A 63 118.001 0.671 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 63 117.137 3.245 -7.213 1.00 0.00 H new ATOM 0 HB VAL A 63 118.860 2.288 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.456 4.510 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.383 4.655 -5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.647 5.045 -5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.749 2.694 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.954 3.219 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.485 1.531 -4.946 1.00 0.00 H new ATOM 1043 N ILE A 64 120.406 2.804 -7.309 1.00 0.00 N ATOM 1044 CA ILE A 64 121.620 3.383 -7.942 1.00 0.00 C ATOM 1045 C ILE A 64 121.479 3.283 -9.460 1.00 0.00 C ATOM 1046 O ILE A 64 121.835 4.186 -10.190 1.00 0.00 O ATOM 1047 CB ILE A 64 122.856 2.599 -7.486 1.00 0.00 C ATOM 1048 CG1 ILE A 64 123.002 2.674 -5.955 1.00 0.00 C ATOM 1049 CG2 ILE A 64 124.106 3.173 -8.150 1.00 0.00 C ATOM 1050 CD1 ILE A 64 123.001 4.132 -5.474 1.00 0.00 C ATOM 0 H ILE A 64 120.560 1.959 -6.759 1.00 0.00 H new ATOM 0 HA ILE A 64 121.731 4.427 -7.650 1.00 0.00 H new ATOM 0 HB ILE A 64 122.737 1.556 -7.778 1.00 0.00 H new ATOM 0 HG12 ILE A 64 122.185 2.130 -5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.928 2.187 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.982 2.613 -7.823 1.00 0.00 H new ATOM 0 HG22 ILE A 64 124.010 3.097 -9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 64 124.219 4.220 -7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 64 123.105 4.157 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.834 4.667 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 64 122.063 4.609 -5.760 1.00 0.00 H new ATOM 1062 N ALA A 65 120.956 2.191 -9.938 1.00 0.00 N ATOM 1063 CA ALA A 65 120.783 2.021 -11.406 1.00 0.00 C ATOM 1064 C ALA A 65 119.941 3.170 -11.971 1.00 0.00 C ATOM 1065 O ALA A 65 119.875 3.369 -13.168 1.00 0.00 O ATOM 1066 CB ALA A 65 120.083 0.689 -11.682 1.00 0.00 C ATOM 0 H ALA A 65 120.639 1.404 -9.372 1.00 0.00 H new ATOM 0 HA ALA A 65 121.761 2.028 -11.887 1.00 0.00 H new ATOM 0 HB1 ALA A 65 119.955 0.561 -12.757 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.688 -0.128 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 65 119.107 0.684 -11.197 1.00 0.00 H new ATOM 1072 N ARG A 66 119.287 3.928 -11.126 1.00 0.00 N ATOM 1073 CA ARG A 66 118.443 5.058 -11.630 1.00 0.00 C ATOM 1074 C ARG A 66 119.268 6.348 -11.649 1.00 0.00 C ATOM 1075 O ARG A 66 119.140 7.155 -12.549 1.00 0.00 O ATOM 1076 CB ARG A 66 117.232 5.241 -10.704 1.00 0.00 C ATOM 1077 CG ARG A 66 116.288 4.031 -10.803 1.00 0.00 C ATOM 1078 CD ARG A 66 115.383 4.145 -12.039 1.00 0.00 C ATOM 1079 NE ARG A 66 114.433 2.993 -12.057 1.00 0.00 N ATOM 1080 CZ ARG A 66 114.753 1.886 -12.675 1.00 0.00 C ATOM 1081 NH1 ARG A 66 115.329 1.936 -13.844 1.00 0.00 N ATOM 1082 NH2 ARG A 66 114.499 0.731 -12.122 1.00 0.00 N ATOM 0 H ARG A 66 119.300 3.815 -10.112 1.00 0.00 H new ATOM 0 HA ARG A 66 118.101 4.832 -12.640 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.569 5.363 -9.675 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.695 6.151 -10.973 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.872 3.112 -10.858 1.00 0.00 H new ATOM 0 HG3 ARG A 66 115.676 3.967 -9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 66 114.833 5.086 -12.017 1.00 0.00 H new ATOM 0 HD3 ARG A 66 115.986 4.150 -12.947 1.00 0.00 H new ATOM 0 HE ARG A 66 113.532 3.070 -11.586 1.00 0.00 H new ATOM 0 HH11 ARG A 66 115.530 2.838 -14.276 1.00 0.00 H new ATOM 0 HH12 ARG A 66 115.579 1.073 -14.327 1.00 0.00 H new ATOM 0 HH21 ARG A 66 114.050 0.691 -11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 66 114.749 -0.132 -12.605 1.00 0.00 H new ATOM 1096 N GLY A 67 120.124 6.549 -10.674 1.00 0.00 N ATOM 1097 CA GLY A 67 120.966 7.790 -10.655 1.00 0.00 C ATOM 1098 C GLY A 67 121.088 8.336 -9.229 1.00 0.00 C ATOM 1099 O GLY A 67 121.723 9.347 -9.006 1.00 0.00 O ATOM 0 H GLY A 67 120.276 5.910 -9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 67 121.957 7.570 -11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.524 8.546 -11.303 1.00 0.00 H new ATOM 1103 N GLY A 68 120.492 7.681 -8.262 1.00 0.00 N ATOM 1104 CA GLY A 68 120.579 8.169 -6.843 1.00 0.00 C ATOM 1105 C GLY A 68 119.182 8.228 -6.231 1.00 0.00 C ATOM 1106 O GLY A 68 118.214 8.529 -6.901 1.00 0.00 O ATOM 0 H GLY A 68 119.948 6.828 -8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 68 121.215 7.504 -6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 68 121.040 9.156 -6.816 1.00 0.00 H new ATOM 1110 N LEU A 69 119.063 7.949 -4.960 1.00 0.00 N ATOM 1111 CA LEU A 69 117.720 7.999 -4.319 1.00 0.00 C ATOM 1112 C LEU A 69 117.139 9.410 -4.445 1.00 0.00 C ATOM 1113 O LEU A 69 115.972 9.580 -4.739 1.00 0.00 O ATOM 1114 CB LEU A 69 117.834 7.615 -2.838 1.00 0.00 C ATOM 1115 CG LEU A 69 116.467 7.725 -2.136 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.378 7.002 -2.943 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.567 7.080 -0.749 1.00 0.00 C ATOM 0 H LEU A 69 119.833 7.691 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 69 117.059 7.292 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 69 118.212 6.596 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.555 8.266 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 69 116.200 8.779 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.422 7.093 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.301 7.451 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.638 5.948 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.604 7.153 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.843 6.031 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 69 117.325 7.597 -0.161 1.00 0.00 H new ATOM 1129 N VAL A 70 117.933 10.426 -4.224 1.00 0.00 N ATOM 1130 CA VAL A 70 117.395 11.813 -4.336 1.00 0.00 C ATOM 1131 C VAL A 70 116.876 12.025 -5.757 1.00 0.00 C ATOM 1132 O VAL A 70 115.834 12.615 -5.966 1.00 0.00 O ATOM 1133 CB VAL A 70 118.495 12.845 -4.040 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.933 14.252 -4.298 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.979 12.727 -2.567 1.00 0.00 C ATOM 0 H VAL A 70 118.919 10.356 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 70 116.590 11.944 -3.612 1.00 0.00 H new ATOM 0 HB VAL A 70 119.349 12.658 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.703 14.995 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.620 14.333 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 70 117.077 14.427 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.757 13.467 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 70 118.141 12.904 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.379 11.728 -2.394 1.00 0.00 H new ATOM 1145 N ASP A 71 117.584 11.538 -6.741 1.00 0.00 N ATOM 1146 CA ASP A 71 117.107 11.708 -8.139 1.00 0.00 C ATOM 1147 C ASP A 71 115.763 10.996 -8.281 1.00 0.00 C ATOM 1148 O ASP A 71 114.851 11.484 -8.917 1.00 0.00 O ATOM 1149 CB ASP A 71 118.128 11.106 -9.110 1.00 0.00 C ATOM 1150 CG ASP A 71 119.369 12.002 -9.163 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.202 13.210 -9.166 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.462 11.463 -9.206 1.00 0.00 O ATOM 0 H ASP A 71 118.465 11.034 -6.636 1.00 0.00 H new ATOM 0 HA ASP A 71 116.990 12.767 -8.371 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.404 10.102 -8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.690 11.013 -10.104 1.00 0.00 H new ATOM 1157 N VAL A 72 115.635 9.847 -7.678 1.00 0.00 N ATOM 1158 CA VAL A 72 114.352 9.094 -7.756 1.00 0.00 C ATOM 1159 C VAL A 72 113.237 9.879 -7.049 1.00 0.00 C ATOM 1160 O VAL A 72 112.132 9.977 -7.542 1.00 0.00 O ATOM 1161 CB VAL A 72 114.537 7.728 -7.080 1.00 0.00 C ATOM 1162 CG1 VAL A 72 113.181 7.035 -6.907 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.440 6.853 -7.953 1.00 0.00 C ATOM 0 H VAL A 72 116.368 9.395 -7.132 1.00 0.00 H new ATOM 0 HA VAL A 72 114.072 8.955 -8.800 1.00 0.00 H new ATOM 0 HB VAL A 72 114.991 7.874 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 72 113.326 6.067 -6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.532 7.654 -6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.719 6.890 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.575 5.881 -7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.979 6.717 -8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.410 7.336 -8.072 1.00 0.00 H new ATOM 1173 N ILE A 73 113.508 10.422 -5.891 1.00 0.00 N ATOM 1174 CA ILE A 73 112.446 11.177 -5.158 1.00 0.00 C ATOM 1175 C ILE A 73 112.035 12.431 -5.935 1.00 0.00 C ATOM 1176 O ILE A 73 110.870 12.649 -6.206 1.00 0.00 O ATOM 1177 CB ILE A 73 112.975 11.607 -3.788 1.00 0.00 C ATOM 1178 CG1 ILE A 73 113.295 10.370 -2.947 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.912 12.454 -3.075 1.00 0.00 C ATOM 1180 CD1 ILE A 73 114.053 10.793 -1.688 1.00 0.00 C ATOM 0 H ILE A 73 114.413 10.377 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 73 111.581 10.524 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 73 113.883 12.196 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 73 112.374 9.854 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.894 9.668 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 73 112.287 12.762 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.690 13.338 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 73 111.004 11.865 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 73 114.282 9.912 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.981 11.290 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 73 113.438 11.479 -1.106 1.00 0.00 H new ATOM 1192 N ASN A 74 112.974 13.269 -6.271 1.00 0.00 N ATOM 1193 CA ASN A 74 112.624 14.519 -7.002 1.00 0.00 C ATOM 1194 C ASN A 74 111.947 14.174 -8.331 1.00 0.00 C ATOM 1195 O ASN A 74 110.985 14.802 -8.726 1.00 0.00 O ATOM 1196 CB ASN A 74 113.894 15.336 -7.245 1.00 0.00 C ATOM 1197 CG ASN A 74 113.545 16.625 -7.994 1.00 0.00 C ATOM 1198 OD1 ASN A 74 112.619 16.657 -8.781 1.00 0.00 O ATOM 1199 ND2 ASN A 74 114.250 17.701 -7.774 1.00 0.00 N ATOM 0 H ASN A 74 113.967 13.144 -6.072 1.00 0.00 H new ATOM 0 HA ASN A 74 111.930 15.110 -6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.372 15.575 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.609 14.751 -7.823 1.00 0.00 H new ATOM 0 HD21 ASN A 74 114.024 18.568 -8.262 1.00 0.00 H new ATOM 0 HD22 ASN A 74 115.027 17.675 -7.114 1.00 0.00 H new ATOM 1206 N LYS A 75 112.432 13.177 -9.026 1.00 0.00 N ATOM 1207 CA LYS A 75 111.798 12.799 -10.324 1.00 0.00 C ATOM 1208 C LYS A 75 110.619 11.862 -10.059 1.00 0.00 C ATOM 1209 O LYS A 75 109.863 11.538 -10.953 1.00 0.00 O ATOM 1210 CB LYS A 75 112.817 12.092 -11.219 1.00 0.00 C ATOM 1211 CG LYS A 75 113.885 13.089 -11.669 1.00 0.00 C ATOM 1212 CD LYS A 75 114.899 12.374 -12.563 1.00 0.00 C ATOM 1213 CE LYS A 75 115.973 13.366 -13.010 1.00 0.00 C ATOM 1214 NZ LYS A 75 116.852 13.689 -11.850 1.00 0.00 N ATOM 0 H LYS A 75 113.235 12.611 -8.752 1.00 0.00 H new ATOM 0 HA LYS A 75 111.447 13.701 -10.826 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.280 11.267 -10.678 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.317 11.663 -12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 75 113.423 13.914 -12.211 1.00 0.00 H new ATOM 0 HG3 LYS A 75 114.387 13.518 -10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 75 115.356 11.546 -12.022 1.00 0.00 H new ATOM 0 HD3 LYS A 75 114.397 11.949 -13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 75 116.563 12.941 -13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 75 115.509 14.274 -13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 117.720 14.150 -12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 116.350 14.329 -11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 117.100 12.813 -11.348 1.00 0.00 H new ATOM 1228 N LYS A 76 110.462 11.421 -8.837 1.00 0.00 N ATOM 1229 CA LYS A 76 109.331 10.505 -8.506 1.00 0.00 C ATOM 1230 C LYS A 76 109.369 9.274 -9.416 1.00 0.00 C ATOM 1231 O LYS A 76 108.380 8.900 -10.013 1.00 0.00 O ATOM 1232 CB LYS A 76 107.998 11.243 -8.676 1.00 0.00 C ATOM 1233 CG LYS A 76 107.858 12.295 -7.571 1.00 0.00 C ATOM 1234 CD LYS A 76 106.528 13.048 -7.723 1.00 0.00 C ATOM 1235 CE LYS A 76 106.549 13.958 -8.962 1.00 0.00 C ATOM 1236 NZ LYS A 76 107.874 14.633 -9.085 1.00 0.00 N ATOM 0 H LYS A 76 111.070 11.657 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 76 109.428 10.180 -7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 76 107.955 11.720 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.169 10.537 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 76 107.903 11.815 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 76 108.690 12.998 -7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 76 105.709 12.334 -7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 76 106.340 13.646 -6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 76 106.348 13.370 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 76 105.758 14.704 -8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 107.788 15.453 -9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 108.190 14.952 -8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 108.569 13.965 -9.476 1.00 0.00 H new ATOM 1250 N LEU A 77 110.507 8.637 -9.521 1.00 0.00 N ATOM 1251 CA LEU A 77 110.618 7.423 -10.387 1.00 0.00 C ATOM 1252 C LEU A 77 110.300 6.177 -9.554 1.00 0.00 C ATOM 1253 O LEU A 77 110.706 5.080 -9.881 1.00 0.00 O ATOM 1254 CB LEU A 77 112.039 7.314 -10.949 1.00 0.00 C ATOM 1255 CG LEU A 77 112.320 8.484 -11.902 1.00 0.00 C ATOM 1256 CD1 LEU A 77 113.803 8.464 -12.291 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.447 8.371 -13.168 1.00 0.00 C ATOM 0 H LEU A 77 111.367 8.906 -9.043 1.00 0.00 H new ATOM 0 HA LEU A 77 109.912 7.502 -11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.762 7.317 -10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.158 6.368 -11.477 1.00 0.00 H new ATOM 0 HG LEU A 77 112.079 9.421 -11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 77 114.013 9.292 -12.968 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.416 8.564 -11.395 1.00 0.00 H new ATOM 0 HD13 LEU A 77 114.036 7.522 -12.787 1.00 0.00 H new ATOM 0 HD21 LEU A 77 111.659 9.209 -13.832 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.670 7.435 -13.681 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.394 8.389 -12.887 1.00 0.00 H new ATOM 1269 N TRP A 78 109.575 6.341 -8.481 1.00 0.00 N ATOM 1270 CA TRP A 78 109.223 5.170 -7.625 1.00 0.00 C ATOM 1271 C TRP A 78 108.442 4.152 -8.457 1.00 0.00 C ATOM 1272 O TRP A 78 108.412 2.977 -8.149 1.00 0.00 O ATOM 1273 CB TRP A 78 108.345 5.633 -6.457 1.00 0.00 C ATOM 1274 CG TRP A 78 109.172 6.365 -5.448 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.125 7.699 -5.224 1.00 0.00 C ATOM 1276 CD2 TRP A 78 110.154 5.828 -4.516 1.00 0.00 C ATOM 1277 NE1 TRP A 78 110.017 8.014 -4.213 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.677 6.894 -3.745 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.639 4.532 -4.267 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.646 6.680 -2.762 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.613 4.312 -3.279 1.00 0.00 C ATOM 1282 CH2 TRP A 78 112.117 5.384 -2.528 1.00 0.00 C ATOM 0 H TRP A 78 109.210 7.237 -8.159 1.00 0.00 H new ATOM 0 HA TRP A 78 110.137 4.716 -7.242 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.549 6.281 -6.825 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.865 4.773 -5.990 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.495 8.402 -5.748 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.168 8.958 -3.857 1.00 0.00 H new ATOM 0 HE3 TRP A 78 110.260 3.699 -4.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 112.029 7.510 -2.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.976 3.311 -3.097 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.867 5.209 -1.771 1.00 0.00 H new ATOM 1293 N GLN A 79 107.798 4.594 -9.502 1.00 0.00 N ATOM 1294 CA GLN A 79 107.007 3.651 -10.341 1.00 0.00 C ATOM 1295 C GLN A 79 107.933 2.572 -10.906 1.00 0.00 C ATOM 1296 O GLN A 79 107.578 1.411 -10.977 1.00 0.00 O ATOM 1297 CB GLN A 79 106.370 4.422 -11.503 1.00 0.00 C ATOM 1298 CG GLN A 79 105.271 5.346 -10.974 1.00 0.00 C ATOM 1299 CD GLN A 79 104.102 4.509 -10.453 1.00 0.00 C ATOM 1300 OE1 GLN A 79 103.635 4.717 -9.350 1.00 0.00 O ATOM 1301 NE2 GLN A 79 103.605 3.566 -11.205 1.00 0.00 N ATOM 0 H GLN A 79 107.785 5.566 -9.811 1.00 0.00 H new ATOM 0 HA GLN A 79 106.230 3.187 -9.733 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.129 5.006 -12.023 1.00 0.00 H new ATOM 0 HB3 GLN A 79 105.952 3.724 -12.229 1.00 0.00 H new ATOM 0 HG2 GLN A 79 105.664 5.976 -10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 79 104.930 6.012 -11.766 1.00 0.00 H new ATOM 0 HE21 GLN A 79 103.997 3.392 -12.130 1.00 0.00 H new ATOM 0 HE22 GLN A 79 102.824 3.003 -10.868 1.00 0.00 H new ATOM 1310 N GLU A 80 109.115 2.944 -11.312 1.00 0.00 N ATOM 1311 CA GLU A 80 110.060 1.938 -11.875 1.00 0.00 C ATOM 1312 C GLU A 80 110.381 0.868 -10.826 1.00 0.00 C ATOM 1313 O GLU A 80 110.365 -0.313 -11.113 1.00 0.00 O ATOM 1314 CB GLU A 80 111.353 2.639 -12.303 1.00 0.00 C ATOM 1315 CG GLU A 80 111.089 3.515 -13.533 1.00 0.00 C ATOM 1316 CD GLU A 80 110.754 2.632 -14.737 1.00 0.00 C ATOM 1317 OE1 GLU A 80 111.585 1.815 -15.097 1.00 0.00 O ATOM 1318 OE2 GLU A 80 109.672 2.789 -15.278 1.00 0.00 O ATOM 0 H GLU A 80 109.468 3.900 -11.279 1.00 0.00 H new ATOM 0 HA GLU A 80 109.597 1.459 -12.738 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.733 3.251 -11.485 1.00 0.00 H new ATOM 0 HB3 GLU A 80 112.120 1.899 -12.531 1.00 0.00 H new ATOM 0 HG2 GLU A 80 110.265 4.200 -13.333 1.00 0.00 H new ATOM 0 HG3 GLU A 80 111.965 4.125 -13.751 1.00 0.00 H new ATOM 1325 N ILE A 81 110.670 1.261 -9.612 1.00 0.00 N ATOM 1326 CA ILE A 81 110.986 0.245 -8.566 1.00 0.00 C ATOM 1327 C ILE A 81 109.712 -0.531 -8.221 1.00 0.00 C ATOM 1328 O ILE A 81 109.727 -1.735 -8.080 1.00 0.00 O ATOM 1329 CB ILE A 81 111.527 0.945 -7.311 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.922 1.506 -7.605 1.00 0.00 C ATOM 1331 CG2 ILE A 81 111.621 -0.059 -6.157 1.00 0.00 C ATOM 1332 CD1 ILE A 81 113.350 2.434 -6.467 1.00 0.00 C ATOM 0 H ILE A 81 110.701 2.232 -9.302 1.00 0.00 H new ATOM 0 HA ILE A 81 111.743 -0.445 -8.940 1.00 0.00 H new ATOM 0 HB ILE A 81 110.853 1.755 -7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 81 113.638 0.691 -7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.915 2.051 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 81 112.005 0.442 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 81 110.631 -0.464 -5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 81 112.293 -0.871 -6.435 1.00 0.00 H new ATOM 0 HD11 ILE A 81 114.343 2.833 -6.677 1.00 0.00 H new ATOM 0 HD12 ILE A 81 112.639 3.256 -6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 81 113.374 1.875 -5.531 1.00 0.00 H new ATOM 1344 N ILE A 82 108.607 0.149 -8.106 1.00 0.00 N ATOM 1345 CA ILE A 82 107.334 -0.549 -7.789 1.00 0.00 C ATOM 1346 C ILE A 82 107.040 -1.563 -8.896 1.00 0.00 C ATOM 1347 O ILE A 82 106.548 -2.645 -8.646 1.00 0.00 O ATOM 1348 CB ILE A 82 106.202 0.474 -7.681 1.00 0.00 C ATOM 1349 CG1 ILE A 82 106.415 1.306 -6.414 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.853 -0.249 -7.600 1.00 0.00 C ATOM 1351 CD1 ILE A 82 105.458 2.497 -6.402 1.00 0.00 C ATOM 0 H ILE A 82 108.531 1.160 -8.218 1.00 0.00 H new ATOM 0 HA ILE A 82 107.417 -1.072 -6.836 1.00 0.00 H new ATOM 0 HB ILE A 82 106.203 1.121 -8.558 1.00 0.00 H new ATOM 0 HG12 ILE A 82 106.250 0.688 -5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 82 107.446 1.657 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 82 104.051 0.485 -7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 82 104.709 -0.852 -8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.839 -0.895 -6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 82 105.617 3.083 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.644 3.122 -7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.429 2.137 -6.425 1.00 0.00 H new ATOM 1537 N ALA A 95 104.465 2.801 -2.708 1.00 0.00 N ATOM 1538 CA ALA A 95 105.530 3.839 -2.852 1.00 0.00 C ATOM 1539 C ALA A 95 105.927 4.368 -1.468 1.00 0.00 C ATOM 1540 O ALA A 95 107.088 4.418 -1.115 1.00 0.00 O ATOM 1541 CB ALA A 95 104.999 4.993 -3.727 1.00 0.00 C ATOM 0 HA ALA A 95 106.408 3.401 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 95 105.773 5.753 -3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 95 104.728 4.609 -4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.121 5.433 -3.255 1.00 0.00 H new ATOM 1547 N PHE A 96 104.961 4.774 -0.694 1.00 0.00 N ATOM 1548 CA PHE A 96 105.253 5.319 0.665 1.00 0.00 C ATOM 1549 C PHE A 96 105.962 4.274 1.538 1.00 0.00 C ATOM 1550 O PHE A 96 106.893 4.580 2.255 1.00 0.00 O ATOM 1551 CB PHE A 96 103.942 5.742 1.331 1.00 0.00 C ATOM 1552 CG PHE A 96 104.232 6.284 2.710 1.00 0.00 C ATOM 1553 CD1 PHE A 96 104.496 7.647 2.888 1.00 0.00 C ATOM 1554 CD2 PHE A 96 104.233 5.420 3.811 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.761 8.146 4.169 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.499 5.918 5.091 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.763 7.282 5.271 1.00 0.00 C ATOM 0 H PHE A 96 103.973 4.752 -0.945 1.00 0.00 H new ATOM 0 HA PHE A 96 105.914 6.180 0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.443 6.500 0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.264 4.891 1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 96 104.495 8.313 2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 96 104.028 4.369 3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.964 9.198 4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.501 5.251 5.940 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.968 7.667 6.259 1.00 0.00 H new ATOM 1567 N THR A 97 105.520 3.050 1.503 1.00 0.00 N ATOM 1568 CA THR A 97 106.163 2.001 2.348 1.00 0.00 C ATOM 1569 C THR A 97 107.630 1.806 1.952 1.00 0.00 C ATOM 1570 O THR A 97 108.484 1.606 2.790 1.00 0.00 O ATOM 1571 CB THR A 97 105.416 0.677 2.166 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.061 0.841 2.561 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.081 -0.409 3.016 1.00 0.00 C ATOM 0 H THR A 97 104.742 2.728 0.927 1.00 0.00 H new ATOM 0 HA THR A 97 106.120 2.320 3.389 1.00 0.00 H new ATOM 0 HB THR A 97 105.451 0.379 1.118 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.581 -0.005 2.443 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.548 -1.351 2.885 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.118 -0.532 2.703 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.051 -0.118 4.066 1.00 0.00 H new ATOM 1581 N LEU A 98 107.929 1.832 0.687 1.00 0.00 N ATOM 1582 CA LEU A 98 109.341 1.617 0.261 1.00 0.00 C ATOM 1583 C LEU A 98 110.245 2.763 0.744 1.00 0.00 C ATOM 1584 O LEU A 98 111.278 2.536 1.343 1.00 0.00 O ATOM 1585 CB LEU A 98 109.392 1.534 -1.270 1.00 0.00 C ATOM 1586 CG LEU A 98 108.726 0.226 -1.752 1.00 0.00 C ATOM 1587 CD1 LEU A 98 108.247 0.392 -3.198 1.00 0.00 C ATOM 1588 CD2 LEU A 98 109.732 -0.933 -1.703 1.00 0.00 C ATOM 0 H LEU A 98 107.263 1.992 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 98 109.703 0.689 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 98 108.882 2.393 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.427 1.571 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 98 107.882 0.008 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 98 107.778 -0.533 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.524 1.206 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.098 0.621 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.249 -1.848 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.580 -0.706 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 98 110.082 -1.068 -0.680 1.00 0.00 H new ATOM 1600 N ARG A 99 109.885 3.986 0.465 1.00 0.00 N ATOM 1601 CA ARG A 99 110.748 5.138 0.882 1.00 0.00 C ATOM 1602 C ARG A 99 110.932 5.212 2.409 1.00 0.00 C ATOM 1603 O ARG A 99 112.001 5.538 2.886 1.00 0.00 O ATOM 1604 CB ARG A 99 110.146 6.452 0.369 1.00 0.00 C ATOM 1605 CG ARG A 99 108.777 6.683 0.999 1.00 0.00 C ATOM 1606 CD ARG A 99 108.168 7.967 0.439 1.00 0.00 C ATOM 1607 NE ARG A 99 107.767 7.756 -0.979 1.00 0.00 N ATOM 1608 CZ ARG A 99 107.298 8.753 -1.674 1.00 0.00 C ATOM 1609 NH1 ARG A 99 106.115 9.234 -1.406 1.00 0.00 N ATOM 1610 NH2 ARG A 99 108.013 9.273 -2.633 1.00 0.00 N ATOM 0 H ARG A 99 109.032 4.242 -0.033 1.00 0.00 H new ATOM 0 HA ARG A 99 111.733 4.980 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.810 7.283 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 99 110.054 6.420 -0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.122 5.837 0.792 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.871 6.755 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 99 107.301 8.259 1.032 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.889 8.782 0.506 1.00 0.00 H new ATOM 0 HE ARG A 99 107.859 6.834 -1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 99 105.559 8.829 -0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 99 105.747 10.015 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 99 108.939 8.899 -2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 99 107.646 10.054 -3.177 1.00 0.00 H new ATOM 1624 N THR A 100 109.910 4.959 3.186 1.00 0.00 N ATOM 1625 CA THR A 100 110.072 5.078 4.669 1.00 0.00 C ATOM 1626 C THR A 100 111.054 4.029 5.208 1.00 0.00 C ATOM 1627 O THR A 100 111.958 4.349 5.954 1.00 0.00 O ATOM 1628 CB THR A 100 108.700 4.954 5.363 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.745 5.639 6.607 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.331 3.485 5.613 1.00 0.00 C ATOM 0 H THR A 100 108.983 4.679 2.866 1.00 0.00 H new ATOM 0 HA THR A 100 110.489 6.061 4.890 1.00 0.00 H new ATOM 0 HB THR A 100 107.945 5.392 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.875 5.565 7.053 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.359 3.432 6.103 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.287 2.954 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 100 109.085 3.024 6.251 1.00 0.00 H new ATOM 1638 N GLN A 101 110.889 2.783 4.855 1.00 0.00 N ATOM 1639 CA GLN A 101 111.826 1.753 5.379 1.00 0.00 C ATOM 1640 C GLN A 101 113.239 2.074 4.896 1.00 0.00 C ATOM 1641 O GLN A 101 114.200 1.988 5.641 1.00 0.00 O ATOM 1642 CB GLN A 101 111.405 0.371 4.876 1.00 0.00 C ATOM 1643 CG GLN A 101 110.100 -0.042 5.561 1.00 0.00 C ATOM 1644 CD GLN A 101 109.640 -1.395 5.016 1.00 0.00 C ATOM 1645 OE1 GLN A 101 109.822 -1.688 3.852 1.00 0.00 O ATOM 1646 NE2 GLN A 101 109.043 -2.236 5.815 1.00 0.00 N ATOM 0 H GLN A 101 110.156 2.438 4.235 1.00 0.00 H new ATOM 0 HA GLN A 101 111.804 1.754 6.469 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.271 0.391 3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 101 112.187 -0.359 5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 101 110.247 -0.104 6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.332 0.712 5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 101 108.890 -1.990 6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 101 108.729 -3.140 5.462 1.00 0.00 H new ATOM 1655 N TYR A 102 113.373 2.463 3.659 1.00 0.00 N ATOM 1656 CA TYR A 102 114.719 2.805 3.136 1.00 0.00 C ATOM 1657 C TYR A 102 115.279 3.958 3.973 1.00 0.00 C ATOM 1658 O TYR A 102 116.405 3.939 4.426 1.00 0.00 O ATOM 1659 CB TYR A 102 114.598 3.245 1.674 1.00 0.00 C ATOM 1660 CG TYR A 102 115.972 3.354 1.051 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.770 4.480 1.291 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.448 2.323 0.230 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.042 4.572 0.708 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.717 2.417 -0.351 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.514 3.541 -0.114 1.00 0.00 C ATOM 1666 OH TYR A 102 119.767 3.633 -0.685 1.00 0.00 O ATOM 0 H TYR A 102 112.608 2.558 2.991 1.00 0.00 H new ATOM 0 HA TYR A 102 115.381 1.941 3.195 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.994 2.528 1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.086 4.206 1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.406 5.276 1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.834 1.454 0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.659 5.439 0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.081 1.621 -0.983 1.00 0.00 H new ATOM 0 HH TYR A 102 119.817 4.443 -1.235 1.00 0.00 H new ATOM 1676 N MET A 103 114.484 4.967 4.167 1.00 0.00 N ATOM 1677 CA MET A 103 114.926 6.149 4.953 1.00 0.00 C ATOM 1678 C MET A 103 115.305 5.751 6.383 1.00 0.00 C ATOM 1679 O MET A 103 116.204 6.317 6.972 1.00 0.00 O ATOM 1680 CB MET A 103 113.784 7.162 5.012 1.00 0.00 C ATOM 1681 CG MET A 103 114.317 8.498 5.534 1.00 0.00 C ATOM 1682 SD MET A 103 115.320 9.289 4.251 1.00 0.00 S ATOM 1683 CE MET A 103 113.964 10.082 3.349 1.00 0.00 C ATOM 0 H MET A 103 113.531 5.025 3.809 1.00 0.00 H new ATOM 0 HA MET A 103 115.801 6.579 4.466 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.348 7.294 4.022 1.00 0.00 H new ATOM 0 HB3 MET A 103 112.991 6.795 5.663 1.00 0.00 H new ATOM 0 HG2 MET A 103 113.488 9.148 5.815 1.00 0.00 H new ATOM 0 HG3 MET A 103 114.915 8.338 6.431 1.00 0.00 H new ATOM 0 HE1 MET A 103 114.164 10.037 2.278 1.00 0.00 H new ATOM 0 HE2 MET A 103 113.030 9.563 3.566 1.00 0.00 H new ATOM 0 HE3 MET A 103 113.881 11.124 3.659 1.00 0.00 H new ATOM 1693 N LYS A 104 114.591 4.833 6.971 1.00 0.00 N ATOM 1694 CA LYS A 104 114.876 4.467 8.384 1.00 0.00 C ATOM 1695 C LYS A 104 116.310 3.939 8.568 1.00 0.00 C ATOM 1696 O LYS A 104 116.938 4.241 9.563 1.00 0.00 O ATOM 1697 CB LYS A 104 113.872 3.396 8.833 1.00 0.00 C ATOM 1698 CG LYS A 104 113.790 3.343 10.368 1.00 0.00 C ATOM 1699 CD LYS A 104 113.092 4.605 10.921 1.00 0.00 C ATOM 1700 CE LYS A 104 112.458 4.298 12.279 1.00 0.00 C ATOM 1701 NZ LYS A 104 113.524 3.947 13.261 1.00 0.00 N ATOM 0 H LYS A 104 113.824 4.322 6.535 1.00 0.00 H new ATOM 0 HA LYS A 104 114.779 5.366 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.888 3.615 8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.172 2.423 8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 104 113.242 2.453 10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 104 114.792 3.262 10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 104 113.814 5.415 11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 104 112.328 4.944 10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 104 111.894 5.162 12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 104 111.751 3.473 12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 113.127 3.954 14.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 113.895 2.999 13.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 114.295 4.642 13.200 1.00 0.00 H new ATOM 1715 N TYR A 105 116.839 3.138 7.660 1.00 0.00 N ATOM 1716 CA TYR A 105 118.238 2.604 7.874 1.00 0.00 C ATOM 1717 C TYR A 105 119.089 2.602 6.596 1.00 0.00 C ATOM 1718 O TYR A 105 120.252 2.252 6.655 1.00 0.00 O ATOM 1719 CB TYR A 105 118.154 1.164 8.378 1.00 0.00 C ATOM 1720 CG TYR A 105 117.399 1.122 9.681 1.00 0.00 C ATOM 1721 CD1 TYR A 105 118.051 1.449 10.874 1.00 0.00 C ATOM 1722 CD2 TYR A 105 116.050 0.753 9.696 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.352 1.410 12.085 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.350 0.712 10.906 1.00 0.00 C ATOM 1725 CZ TYR A 105 116.000 1.042 12.101 1.00 0.00 C ATOM 1726 OH TYR A 105 115.310 1.000 13.296 1.00 0.00 O ATOM 0 H TYR A 105 116.379 2.836 6.801 1.00 0.00 H new ATOM 0 HA TYR A 105 118.715 3.266 8.596 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.655 0.539 7.638 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.156 0.758 8.515 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.093 1.731 10.860 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.549 0.500 8.773 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.854 1.663 13.007 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.309 0.426 10.918 1.00 0.00 H new ATOM 0 HH TYR A 105 114.384 0.727 13.129 1.00 0.00 H new ATOM 1736 N LEU A 106 118.554 2.945 5.448 1.00 0.00 N ATOM 1737 CA LEU A 106 119.393 2.897 4.193 1.00 0.00 C ATOM 1738 C LEU A 106 119.772 4.300 3.700 1.00 0.00 C ATOM 1739 O LEU A 106 120.621 4.432 2.842 1.00 0.00 O ATOM 1740 CB LEU A 106 118.617 2.152 3.093 1.00 0.00 C ATOM 1741 CG LEU A 106 118.701 0.623 3.324 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.470 -0.074 2.725 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.965 0.064 2.652 1.00 0.00 C ATOM 0 H LEU A 106 117.590 3.252 5.319 1.00 0.00 H new ATOM 0 HA LEU A 106 120.319 2.371 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.575 2.471 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 106 119.027 2.403 2.115 1.00 0.00 H new ATOM 0 HG LEU A 106 118.737 0.436 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.542 -1.148 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.567 0.309 3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.426 0.122 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 106 120.019 -1.012 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.927 0.265 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.846 0.542 3.080 1.00 0.00 H new ATOM 1755 N TYR A 107 119.189 5.355 4.208 1.00 0.00 N ATOM 1756 CA TYR A 107 119.607 6.697 3.699 1.00 0.00 C ATOM 1757 C TYR A 107 121.016 7.046 4.198 1.00 0.00 C ATOM 1758 O TYR A 107 121.783 7.644 3.470 1.00 0.00 O ATOM 1759 CB TYR A 107 118.620 7.805 4.089 1.00 0.00 C ATOM 1760 CG TYR A 107 119.146 9.119 3.563 1.00 0.00 C ATOM 1761 CD1 TYR A 107 119.030 9.420 2.202 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.756 10.031 4.432 1.00 0.00 C ATOM 1763 CE1 TYR A 107 119.521 10.632 1.707 1.00 0.00 C ATOM 1764 CE2 TYR A 107 120.247 11.247 3.938 1.00 0.00 C ATOM 1765 CZ TYR A 107 120.129 11.547 2.575 1.00 0.00 C ATOM 1766 OH TYR A 107 120.610 12.745 2.087 1.00 0.00 O ATOM 0 H TYR A 107 118.467 5.351 4.928 1.00 0.00 H new ATOM 0 HA TYR A 107 119.613 6.636 2.611 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.634 7.598 3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.507 7.848 5.172 1.00 0.00 H new ATOM 0 HD1 TYR A 107 118.560 8.715 1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.848 9.798 5.482 1.00 0.00 H new ATOM 0 HE1 TYR A 107 119.431 10.862 0.656 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.716 11.952 4.608 1.00 0.00 H new ATOM 0 HH TYR A 107 121.000 13.264 2.821 1.00 0.00 H new ATOM 1776 N PRO A 108 121.390 6.686 5.411 1.00 0.00 N ATOM 1777 CA PRO A 108 122.757 7.011 5.894 1.00 0.00 C ATOM 1778 C PRO A 108 123.785 6.104 5.214 1.00 0.00 C ATOM 1779 O PRO A 108 124.890 6.502 4.905 1.00 0.00 O ATOM 1780 CB PRO A 108 122.661 6.716 7.408 1.00 0.00 C ATOM 1781 CG PRO A 108 121.235 6.213 7.714 1.00 0.00 C ATOM 1782 CD PRO A 108 120.526 5.947 6.376 1.00 0.00 C ATOM 0 HA PRO A 108 123.073 8.032 5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 108 123.398 5.966 7.696 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.878 7.615 7.985 1.00 0.00 H new ATOM 0 HG2 PRO A 108 121.273 5.303 8.313 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.686 6.954 8.295 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.476 4.883 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.502 6.321 6.376 1.00 0.00 H new ATOM 1790 N TYR A 109 123.405 4.878 4.990 1.00 0.00 N ATOM 1791 CA TYR A 109 124.324 3.907 4.342 1.00 0.00 C ATOM 1792 C TYR A 109 124.594 4.344 2.898 1.00 0.00 C ATOM 1793 O TYR A 109 125.727 4.416 2.465 1.00 0.00 O ATOM 1794 CB TYR A 109 123.671 2.521 4.364 1.00 0.00 C ATOM 1795 CG TYR A 109 124.721 1.465 4.129 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.715 1.259 5.091 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.705 0.695 2.960 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.696 0.288 4.887 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.687 -0.278 2.755 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.684 -0.482 3.716 1.00 0.00 C ATOM 1801 OH TYR A 109 127.654 -1.442 3.512 1.00 0.00 O ATOM 0 H TYR A 109 122.487 4.505 5.231 1.00 0.00 H new ATOM 0 HA TYR A 109 125.272 3.870 4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.181 2.354 5.323 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.900 2.459 3.596 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.723 1.852 5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.936 0.852 2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.463 0.130 5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.677 -0.873 1.854 1.00 0.00 H new ATOM 0 HH TYR A 109 128.538 -1.018 3.506 1.00 0.00 H new ATOM 1811 N GLU A 110 123.565 4.651 2.152 1.00 0.00 N ATOM 1812 CA GLU A 110 123.770 5.100 0.750 1.00 0.00 C ATOM 1813 C GLU A 110 124.675 6.330 0.749 1.00 0.00 C ATOM 1814 O GLU A 110 125.650 6.402 0.028 1.00 0.00 O ATOM 1815 CB GLU A 110 122.417 5.464 0.136 1.00 0.00 C ATOM 1816 CG GLU A 110 122.616 5.927 -1.306 1.00 0.00 C ATOM 1817 CD GLU A 110 121.254 6.135 -1.970 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.254 5.918 -1.306 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.234 6.507 -3.132 1.00 0.00 O ATOM 0 H GLU A 110 122.592 4.609 2.456 1.00 0.00 H new ATOM 0 HA GLU A 110 124.232 4.303 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.750 4.602 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.942 6.253 0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.187 6.855 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.193 5.187 -1.860 1.00 0.00 H new ATOM 1826 N CYS A 111 124.355 7.297 1.561 1.00 0.00 N ATOM 1827 CA CYS A 111 125.183 8.531 1.629 1.00 0.00 C ATOM 1828 C CYS A 111 126.609 8.169 2.044 1.00 0.00 C ATOM 1829 O CYS A 111 127.569 8.721 1.549 1.00 0.00 O ATOM 1830 CB CYS A 111 124.579 9.492 2.654 1.00 0.00 C ATOM 1831 SG CYS A 111 125.584 10.994 2.740 1.00 0.00 S ATOM 0 H CYS A 111 123.549 7.285 2.185 1.00 0.00 H new ATOM 0 HA CYS A 111 125.203 9.010 0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 111 123.556 9.742 2.375 1.00 0.00 H new ATOM 0 HB3 CYS A 111 124.535 9.015 3.633 1.00 0.00 H new ATOM 0 HG CYS A 111 125.069 11.811 3.610 1.00 0.00 H new ATOM 1837 N GLU A 112 126.757 7.259 2.964 1.00 0.00 N ATOM 1838 CA GLU A 112 128.122 6.881 3.417 1.00 0.00 C ATOM 1839 C GLU A 112 128.896 6.221 2.272 1.00 0.00 C ATOM 1840 O GLU A 112 130.062 6.488 2.067 1.00 0.00 O ATOM 1841 CB GLU A 112 128.010 5.890 4.579 1.00 0.00 C ATOM 1842 CG GLU A 112 129.406 5.567 5.119 1.00 0.00 C ATOM 1843 CD GLU A 112 129.284 4.625 6.317 1.00 0.00 C ATOM 1844 OE1 GLU A 112 128.181 4.176 6.582 1.00 0.00 O ATOM 1845 OE2 GLU A 112 130.296 4.363 6.945 1.00 0.00 O ATOM 0 H GLU A 112 125.993 6.761 3.421 1.00 0.00 H new ATOM 0 HA GLU A 112 128.651 7.779 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.392 6.312 5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.519 4.976 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 112 130.011 5.104 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.914 6.485 5.415 1.00 0.00 H new ATOM 1852 N LYS A 113 128.270 5.338 1.541 1.00 0.00 N ATOM 1853 CA LYS A 113 128.996 4.646 0.438 1.00 0.00 C ATOM 1854 C LYS A 113 129.308 5.596 -0.727 1.00 0.00 C ATOM 1855 O LYS A 113 130.365 5.508 -1.321 1.00 0.00 O ATOM 1856 CB LYS A 113 128.141 3.486 -0.089 1.00 0.00 C ATOM 1857 CG LYS A 113 127.920 2.426 1.024 1.00 0.00 C ATOM 1858 CD LYS A 113 128.103 1.008 0.456 1.00 0.00 C ATOM 1859 CE LYS A 113 129.596 0.671 0.375 1.00 0.00 C ATOM 1860 NZ LYS A 113 129.800 -0.459 -0.574 1.00 0.00 N ATOM 0 H LYS A 113 127.294 5.067 1.659 1.00 0.00 H new ATOM 0 HA LYS A 113 129.939 4.279 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.179 3.864 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 113 128.631 3.025 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 113 128.625 2.592 1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 113 126.919 2.531 1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 113 127.591 0.284 1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 113 127.651 0.942 -0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 113 130.159 1.544 0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 113 129.973 0.403 1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 130.813 -0.688 -0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 129.275 -1.292 -0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 129.455 -0.187 -1.517 1.00 0.00 H new ATOM 1874 N LYS A 114 128.399 6.475 -1.089 1.00 0.00 N ATOM 1875 CA LYS A 114 128.653 7.394 -2.255 1.00 0.00 C ATOM 1876 C LYS A 114 128.468 8.865 -1.870 1.00 0.00 C ATOM 1877 O LYS A 114 128.917 9.749 -2.572 1.00 0.00 O ATOM 1878 CB LYS A 114 127.657 7.060 -3.373 1.00 0.00 C ATOM 1879 CG LYS A 114 127.910 5.637 -3.913 1.00 0.00 C ATOM 1880 CD LYS A 114 128.999 5.657 -5.006 1.00 0.00 C ATOM 1881 CE LYS A 114 128.367 5.954 -6.373 1.00 0.00 C ATOM 1882 NZ LYS A 114 127.485 4.821 -6.769 1.00 0.00 N ATOM 0 H LYS A 114 127.496 6.597 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 114 129.683 7.249 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.638 7.136 -2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.752 7.785 -4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 114 128.217 4.982 -3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 114 126.986 5.227 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 114 129.748 6.413 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 114 129.514 4.697 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 114 127.791 6.878 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 114 129.146 6.101 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 127.411 4.784 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 127.888 3.929 -6.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 126.539 4.958 -6.360 1.00 0.00 H new ATOM 1896 N ASN A 115 127.792 9.154 -0.793 1.00 0.00 N ATOM 1897 CA ASN A 115 127.576 10.587 -0.434 1.00 0.00 C ATOM 1898 C ASN A 115 127.003 11.301 -1.661 1.00 0.00 C ATOM 1899 O ASN A 115 127.552 12.269 -2.149 1.00 0.00 O ATOM 1900 CB ASN A 115 128.902 11.240 -0.035 1.00 0.00 C ATOM 1901 CG ASN A 115 128.623 12.621 0.564 1.00 0.00 C ATOM 1902 OD1 ASN A 115 127.600 12.829 1.187 1.00 0.00 O ATOM 1903 ND2 ASN A 115 129.490 13.581 0.397 1.00 0.00 N ATOM 0 H ASN A 115 127.384 8.472 -0.153 1.00 0.00 H new ATOM 0 HA ASN A 115 126.889 10.659 0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.425 10.615 0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.552 11.332 -0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 115 129.309 14.505 0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 115 130.349 13.408 -0.126 1.00 0.00 H new ATOM 1910 N LEU A 116 125.914 10.799 -2.176 1.00 0.00 N ATOM 1911 CA LEU A 116 125.300 11.401 -3.393 1.00 0.00 C ATOM 1912 C LEU A 116 124.920 12.855 -3.125 1.00 0.00 C ATOM 1913 O LEU A 116 125.068 13.713 -3.974 1.00 0.00 O ATOM 1914 CB LEU A 116 124.019 10.635 -3.732 1.00 0.00 C ATOM 1915 CG LEU A 116 124.329 9.156 -4.002 1.00 0.00 C ATOM 1916 CD1 LEU A 116 123.028 8.351 -3.934 1.00 0.00 C ATOM 1917 CD2 LEU A 116 124.950 8.987 -5.396 1.00 0.00 C ATOM 0 H LEU A 116 125.419 9.990 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 116 126.017 11.350 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 116 123.310 10.719 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.545 11.078 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 116 125.035 8.799 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.241 7.299 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.585 8.458 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.331 8.722 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.164 7.933 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.252 9.347 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.875 9.560 -5.454 1.00 0.00 H new ATOM 1929 N SER A 117 124.408 13.140 -1.963 1.00 0.00 N ATOM 1930 CA SER A 117 123.990 14.534 -1.660 1.00 0.00 C ATOM 1931 C SER A 117 123.950 14.731 -0.138 1.00 0.00 C ATOM 1932 O SER A 117 124.429 13.897 0.604 1.00 0.00 O ATOM 1933 CB SER A 117 122.611 14.770 -2.283 1.00 0.00 C ATOM 1934 OG SER A 117 122.456 13.908 -3.402 1.00 0.00 O ATOM 0 H SER A 117 124.261 12.468 -1.210 1.00 0.00 H new ATOM 0 HA SER A 117 124.697 15.252 -2.077 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.828 14.579 -1.549 1.00 0.00 H new ATOM 0 HB3 SER A 117 122.510 15.810 -2.592 1.00 0.00 H new ATOM 0 HG SER A 117 121.575 14.052 -3.806 1.00 0.00 H new ATOM 1940 N THR A 118 123.395 15.831 0.337 1.00 0.00 N ATOM 1941 CA THR A 118 123.345 16.076 1.817 1.00 0.00 C ATOM 1942 C THR A 118 121.879 16.090 2.278 1.00 0.00 C ATOM 1943 O THR A 118 121.002 16.437 1.517 1.00 0.00 O ATOM 1944 CB THR A 118 123.980 17.441 2.104 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.508 18.387 1.154 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.503 17.333 2.004 1.00 0.00 C ATOM 0 H THR A 118 122.978 16.564 -0.236 1.00 0.00 H new ATOM 0 HA THR A 118 123.884 15.292 2.348 1.00 0.00 H new ATOM 0 HB THR A 118 123.708 17.764 3.109 1.00 0.00 H new ATOM 0 HG1 THR A 118 123.911 19.262 1.336 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.951 18.305 2.209 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.865 16.606 2.732 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.780 17.010 1.000 1.00 0.00 H new ATOM 1954 N PRO A 119 121.590 15.734 3.508 1.00 0.00 N ATOM 1955 CA PRO A 119 120.181 15.759 3.974 1.00 0.00 C ATOM 1956 C PRO A 119 119.554 17.144 3.744 1.00 0.00 C ATOM 1957 O PRO A 119 118.350 17.303 3.741 1.00 0.00 O ATOM 1958 CB PRO A 119 120.311 15.430 5.479 1.00 0.00 C ATOM 1959 CG PRO A 119 121.806 15.230 5.810 1.00 0.00 C ATOM 1960 CD PRO A 119 122.610 15.287 4.499 1.00 0.00 C ATOM 0 HA PRO A 119 119.531 15.062 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.895 16.238 6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.746 14.530 5.720 1.00 0.00 H new ATOM 0 HG2 PRO A 119 122.148 16.003 6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.959 14.272 6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 119 123.444 15.986 4.565 1.00 0.00 H new ATOM 0 HD3 PRO A 119 123.029 14.315 4.238 1.00 0.00 H new ATOM 1968 N ALA A 120 120.377 18.142 3.550 1.00 0.00 N ATOM 1969 CA ALA A 120 119.851 19.519 3.317 1.00 0.00 C ATOM 1970 C ALA A 120 119.170 19.593 1.950 1.00 0.00 C ATOM 1971 O ALA A 120 117.995 19.897 1.836 1.00 0.00 O ATOM 1972 CB ALA A 120 121.007 20.519 3.361 1.00 0.00 C ATOM 0 H ALA A 120 121.394 18.062 3.543 1.00 0.00 H new ATOM 0 HA ALA A 120 119.125 19.760 4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.624 21.525 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.490 20.475 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.732 20.271 2.586 1.00 0.00 H new ATOM 1978 N GLU A 121 119.904 19.321 0.907 1.00 0.00 N ATOM 1979 CA GLU A 121 119.310 19.380 -0.454 1.00 0.00 C ATOM 1980 C GLU A 121 118.227 18.308 -0.574 1.00 0.00 C ATOM 1981 O GLU A 121 117.304 18.430 -1.353 1.00 0.00 O ATOM 1982 CB GLU A 121 120.402 19.168 -1.514 1.00 0.00 C ATOM 1983 CG GLU A 121 121.216 17.918 -1.204 1.00 0.00 C ATOM 1984 CD GLU A 121 120.378 16.677 -1.523 1.00 0.00 C ATOM 1985 OE1 GLU A 121 120.007 16.519 -2.674 1.00 0.00 O ATOM 1986 OE2 GLU A 121 120.129 15.904 -0.614 1.00 0.00 O ATOM 0 H GLU A 121 120.890 19.061 0.940 1.00 0.00 H new ATOM 0 HA GLU A 121 118.862 20.360 -0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 121 119.946 19.076 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 121 121.059 20.037 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 121 122.134 17.912 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 121 121.510 17.913 -0.154 1.00 0.00 H new ATOM 1993 N LEU A 122 118.319 17.265 0.208 1.00 0.00 N ATOM 1994 CA LEU A 122 117.276 16.205 0.148 1.00 0.00 C ATOM 1995 C LEU A 122 115.935 16.836 0.504 1.00 0.00 C ATOM 1996 O LEU A 122 114.926 16.568 -0.117 1.00 0.00 O ATOM 1997 CB LEU A 122 117.604 15.089 1.143 1.00 0.00 C ATOM 1998 CG LEU A 122 116.444 14.083 1.217 1.00 0.00 C ATOM 1999 CD1 LEU A 122 116.101 13.561 -0.185 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.862 12.910 2.103 1.00 0.00 C ATOM 0 H LEU A 122 119.068 17.103 0.882 1.00 0.00 H new ATOM 0 HA LEU A 122 117.238 15.775 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.518 14.579 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.789 15.515 2.129 1.00 0.00 H new ATOM 0 HG LEU A 122 115.566 14.577 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.278 12.850 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.808 14.395 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 122 116.973 13.067 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 122 116.046 12.190 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.741 12.427 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 122 117.097 13.275 3.103 1.00 0.00 H new ATOM 2012 N GLN A 123 115.921 17.693 1.488 1.00 0.00 N ATOM 2013 CA GLN A 123 114.646 18.354 1.858 1.00 0.00 C ATOM 2014 C GLN A 123 114.151 19.127 0.648 1.00 0.00 C ATOM 2015 O GLN A 123 112.973 19.150 0.352 1.00 0.00 O ATOM 2016 CB GLN A 123 114.861 19.313 3.031 1.00 0.00 C ATOM 2017 CG GLN A 123 115.139 18.517 4.304 1.00 0.00 C ATOM 2018 CD GLN A 123 115.300 19.485 5.475 1.00 0.00 C ATOM 2019 OE1 GLN A 123 116.308 20.155 5.596 1.00 0.00 O ATOM 2020 NE2 GLN A 123 114.329 19.602 6.338 1.00 0.00 N ATOM 0 H GLN A 123 116.732 17.960 2.046 1.00 0.00 H new ATOM 0 HA GLN A 123 113.914 17.605 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.696 19.981 2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 123 113.979 19.939 3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 123 114.321 17.823 4.500 1.00 0.00 H new ATOM 0 HG3 GLN A 123 116.042 17.919 4.184 1.00 0.00 H new ATOM 0 HE21 GLN A 123 113.484 19.039 6.235 1.00 0.00 H new ATOM 0 HE22 GLN A 123 114.414 20.256 7.116 1.00 0.00 H new ATOM 2029 N ALA A 124 115.043 19.746 -0.070 1.00 0.00 N ATOM 2030 CA ALA A 124 114.617 20.493 -1.278 1.00 0.00 C ATOM 2031 C ALA A 124 113.940 19.507 -2.231 1.00 0.00 C ATOM 2032 O ALA A 124 112.935 19.808 -2.843 1.00 0.00 O ATOM 2033 CB ALA A 124 115.839 21.114 -1.956 1.00 0.00 C ATOM 0 H ALA A 124 116.043 19.766 0.128 1.00 0.00 H new ATOM 0 HA ALA A 124 113.925 21.291 -1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.523 21.662 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.331 21.797 -1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.535 20.326 -2.245 1.00 0.00 H new ATOM 2039 N ALA A 125 114.475 18.318 -2.344 1.00 0.00 N ATOM 2040 CA ALA A 125 113.852 17.301 -3.239 1.00 0.00 C ATOM 2041 C ALA A 125 112.517 16.857 -2.633 1.00 0.00 C ATOM 2042 O ALA A 125 111.525 16.711 -3.320 1.00 0.00 O ATOM 2043 CB ALA A 125 114.785 16.089 -3.361 1.00 0.00 C ATOM 0 H ALA A 125 115.315 18.009 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 125 113.686 17.730 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.331 15.345 -4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.740 16.406 -3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.948 15.654 -2.375 1.00 0.00 H new ATOM 2049 N ILE A 126 112.488 16.647 -1.343 1.00 0.00 N ATOM 2050 CA ILE A 126 111.222 16.215 -0.683 1.00 0.00 C ATOM 2051 C ILE A 126 110.216 17.367 -0.684 1.00 0.00 C ATOM 2052 O ILE A 126 109.033 17.170 -0.881 1.00 0.00 O ATOM 2053 CB ILE A 126 111.511 15.798 0.763 1.00 0.00 C ATOM 2054 CG1 ILE A 126 112.447 14.588 0.763 1.00 0.00 C ATOM 2055 CG2 ILE A 126 110.200 15.426 1.461 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.938 14.320 2.187 1.00 0.00 C ATOM 0 H ILE A 126 113.287 16.756 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 126 110.806 15.370 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 126 111.982 16.626 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.926 13.712 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 126 113.295 14.771 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 126 110.407 15.130 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.530 16.286 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.729 14.597 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 126 113.605 13.458 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 126 113.475 15.193 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 126 112.085 14.118 2.834 1.00 0.00 H new