USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 823 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: B 22 TYR OH : rot 97:sc= 0.0111 USER MOD Set 1.2: B 52 GLN :FLIP amide:sc= -5.7! C(o=-6.6!,f=-5.7!) USER MOD Set 2.1: A 22 TYR OH : rot 96:sc= -0.288 USER MOD Set 2.2: A 52 GLN :FLIP amide:sc= -4.64! C(o=-6.1!,f=-4.9!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 53:sc= -5.62! USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00658) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -0.123 (180deg=-0.985) USER MOD Single : A 27 MET CE :methyl -149:sc= -0.269 (180deg=-1.81!) USER MOD Single : A 30 MET CE :methyl 166:sc= -0.051 (180deg=-0.404) USER MOD Single : A 31 TYR OH : rot 180:sc=-0.00139 USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.027 (180deg=-0.314) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 150:sc= -2.56! USER MOD Single : A 53 TYR OH : rot 180:sc= -0.234 USER MOD Single : A 56 ASN :FLIP amide:sc= -1.73 F(o=-4.3!,f=-1.7) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot 150:sc= -3.81 USER MOD Single : B 14 GLN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -156:sc= -0.178 (180deg=-0.993) USER MOD Single : B 27 MET CE :methyl -105:sc= -0.0267 (180deg=-3.04!) USER MOD Single : B 30 MET CE :methyl -166:sc= -0.307 (180deg=-0.655) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -139:sc= -0.199 (180deg=-1.28!) USER MOD Single : B 40 ASN :FLIP amide:sc= -0.0433 F(o=-2!,f=-0.043) USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 45.031 23.013 21.381 1.00 0.27 N ATOM 107 CA PHE A 9 43.577 22.934 21.052 1.00 0.25 C ATOM 108 C PHE A 9 43.174 24.200 20.296 1.00 0.25 C ATOM 109 O PHE A 9 42.282 24.188 19.472 1.00 0.36 O ATOM 110 CB PHE A 9 42.764 22.818 22.345 1.00 0.23 C ATOM 111 CG PHE A 9 41.369 22.342 22.022 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.373 23.267 21.691 1.00 0.20 C ATOM 113 CD2 PHE A 9 41.073 20.974 22.049 1.00 0.19 C ATOM 114 CE1 PHE A 9 39.082 22.824 21.387 1.00 0.21 C ATOM 115 CE2 PHE A 9 39.780 20.532 21.744 1.00 0.19 C ATOM 116 CZ PHE A 9 38.785 21.459 21.413 1.00 0.20 C ATOM 0 HA PHE A 9 43.382 22.059 20.433 1.00 0.25 H new ATOM 0 HB2 PHE A 9 43.248 22.122 23.030 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.723 23.784 22.849 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.601 24.322 21.670 1.00 0.20 H new ATOM 0 HD2 PHE A 9 41.842 20.260 22.305 1.00 0.19 H new ATOM 0 HE1 PHE A 9 38.313 23.538 21.132 1.00 0.21 H new ATOM 0 HE2 PHE A 9 39.551 19.477 21.764 1.00 0.19 H new ATOM 0 HZ PHE A 9 37.787 21.119 21.178 1.00 0.20 H new ATOM 126 N LEU A 10 43.848 25.288 20.554 1.00 0.21 N ATOM 127 CA LEU A 10 43.529 26.549 19.834 1.00 0.21 C ATOM 128 C LEU A 10 44.196 26.497 18.459 1.00 0.22 C ATOM 129 O LEU A 10 43.693 27.031 17.491 1.00 0.27 O ATOM 130 CB LEU A 10 44.063 27.745 20.623 1.00 0.24 C ATOM 131 CG LEU A 10 43.490 27.730 22.045 1.00 0.27 C ATOM 132 CD1 LEU A 10 44.132 28.858 22.851 1.00 0.31 C ATOM 133 CD2 LEU A 10 41.965 27.935 22.005 1.00 0.28 C ATOM 0 H LEU A 10 44.606 25.356 21.233 1.00 0.21 H new ATOM 0 HA LEU A 10 42.450 26.657 19.725 1.00 0.21 H new ATOM 0 HB2 LEU A 10 45.152 27.710 20.660 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.790 28.674 20.121 1.00 0.24 H new ATOM 0 HG LEU A 10 43.705 26.768 22.510 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.730 28.855 23.864 1.00 0.31 H new ATOM 0 HD12 LEU A 10 45.211 28.710 22.888 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.913 29.815 22.376 1.00 0.31 H new ATOM 0 HD21 LEU A 10 41.569 27.922 23.021 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.739 28.894 21.539 1.00 0.28 H new ATOM 0 HD23 LEU A 10 41.505 27.134 21.427 1.00 0.28 H new ATOM 145 N ASP A 11 45.324 25.839 18.365 1.00 0.21 N ATOM 146 CA ASP A 11 46.018 25.735 17.049 1.00 0.23 C ATOM 147 C ASP A 11 45.080 25.048 16.057 1.00 0.20 C ATOM 148 O ASP A 11 44.856 25.527 14.965 1.00 0.29 O ATOM 149 CB ASP A 11 47.305 24.917 17.199 1.00 0.27 C ATOM 150 CG ASP A 11 48.275 25.654 18.125 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.833 26.559 18.814 1.00 1.92 O ATOM 152 OD2 ASP A 11 49.443 25.302 18.128 1.00 1.64 O ATOM 0 H ASP A 11 45.792 25.371 19.141 1.00 0.21 H new ATOM 0 HA ASP A 11 46.278 26.730 16.688 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.077 23.931 17.605 1.00 0.27 H new ATOM 0 HB3 ASP A 11 47.765 24.761 16.223 1.00 0.27 H new ATOM 157 N TYR A 12 44.510 23.935 16.429 1.00 0.14 N ATOM 158 CA TYR A 12 43.572 23.250 15.503 1.00 0.12 C ATOM 159 C TYR A 12 42.397 24.188 15.247 1.00 0.11 C ATOM 160 O TYR A 12 41.981 24.406 14.126 1.00 0.15 O ATOM 161 CB TYR A 12 43.060 21.955 16.147 1.00 0.12 C ATOM 162 CG TYR A 12 44.212 20.992 16.354 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.943 20.524 15.254 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.550 20.565 17.646 1.00 0.20 C ATOM 165 CE1 TYR A 12 46.006 19.634 15.446 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.613 19.675 17.836 1.00 0.27 C ATOM 167 CZ TYR A 12 46.341 19.209 16.736 1.00 0.30 C ATOM 168 OH TYR A 12 47.389 18.332 16.923 1.00 0.37 O ATOM 0 H TYR A 12 44.653 23.475 17.328 1.00 0.14 H new ATOM 0 HA TYR A 12 44.076 23.002 14.569 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.584 22.177 17.102 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.302 21.498 15.512 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.686 20.850 14.257 1.00 0.22 H new ATOM 0 HD2 TYR A 12 43.989 20.924 18.496 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.569 19.275 14.597 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.872 19.348 18.832 1.00 0.27 H new ATOM 0 HH TYR A 12 47.488 18.140 17.879 1.00 0.37 H new ATOM 178 N CYS A 13 41.873 24.747 16.295 1.00 0.12 N ATOM 179 CA CYS A 13 40.730 25.689 16.169 1.00 0.15 C ATOM 180 C CYS A 13 41.081 26.776 15.144 1.00 0.16 C ATOM 181 O CYS A 13 40.268 27.158 14.326 1.00 0.19 O ATOM 182 CB CYS A 13 40.457 26.312 17.552 1.00 0.19 C ATOM 183 SG CYS A 13 38.676 26.447 17.835 1.00 1.38 S ATOM 0 H CYS A 13 42.193 24.589 17.251 1.00 0.12 H new ATOM 0 HA CYS A 13 39.836 25.167 15.827 1.00 0.15 H new ATOM 0 HB2 CYS A 13 40.911 25.700 18.331 1.00 0.19 H new ATOM 0 HB3 CYS A 13 40.918 27.298 17.612 1.00 0.19 H new ATOM 0 HG CYS A 13 38.115 25.292 17.631 1.00 1.38 H new ATOM 189 N GLN A 14 42.288 27.273 15.183 1.00 0.17 N ATOM 190 CA GLN A 14 42.691 28.327 14.216 1.00 0.21 C ATOM 191 C GLN A 14 42.514 27.800 12.788 1.00 0.21 C ATOM 192 O GLN A 14 41.817 28.385 11.989 1.00 0.28 O ATOM 193 CB GLN A 14 44.157 28.705 14.456 1.00 0.25 C ATOM 194 CG GLN A 14 44.263 29.642 15.662 1.00 0.64 C ATOM 195 CD GLN A 14 45.738 29.907 15.974 1.00 0.78 C ATOM 196 OE1 GLN A 14 46.209 29.592 17.049 1.00 1.68 O ATOM 197 NE2 GLN A 14 46.492 30.475 15.072 1.00 1.31 N ATOM 0 H GLN A 14 43.011 26.992 15.845 1.00 0.17 H new ATOM 0 HA GLN A 14 42.067 29.210 14.352 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.750 27.807 14.629 1.00 0.25 H new ATOM 0 HB3 GLN A 14 44.566 29.191 13.570 1.00 0.25 H new ATOM 0 HG2 GLN A 14 43.750 30.581 15.453 1.00 0.64 H new ATOM 0 HG3 GLN A 14 43.772 29.196 16.527 1.00 0.64 H new ATOM 0 HE21 GLN A 14 46.097 30.739 14.170 1.00 1.31 H new ATOM 0 HE22 GLN A 14 47.476 30.654 15.270 1.00 1.31 H new ATOM 206 N LYS A 15 43.132 26.697 12.453 1.00 0.20 N ATOM 207 CA LYS A 15 42.974 26.162 11.068 1.00 0.22 C ATOM 208 C LYS A 15 41.486 26.121 10.714 1.00 0.19 C ATOM 209 O LYS A 15 41.049 26.743 9.769 1.00 0.22 O ATOM 210 CB LYS A 15 43.573 24.753 10.981 1.00 0.25 C ATOM 211 CG LYS A 15 45.103 24.844 11.094 1.00 0.57 C ATOM 212 CD LYS A 15 45.763 23.508 10.702 1.00 1.16 C ATOM 213 CE LYS A 15 45.777 22.552 11.898 1.00 1.52 C ATOM 214 NZ LYS A 15 46.917 22.893 12.795 1.00 2.24 N ATOM 0 H LYS A 15 43.732 26.149 13.070 1.00 0.20 H new ATOM 0 HA LYS A 15 43.498 26.808 10.364 1.00 0.22 H new ATOM 0 HB2 LYS A 15 43.175 24.126 11.779 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.294 24.284 10.037 1.00 0.25 H new ATOM 0 HG2 LYS A 15 45.473 25.640 10.448 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.381 25.106 12.115 1.00 0.57 H new ATOM 0 HD2 LYS A 15 45.220 23.056 9.872 1.00 1.16 H new ATOM 0 HD3 LYS A 15 46.782 23.685 10.357 1.00 1.16 H new ATOM 0 HE2 LYS A 15 44.837 22.623 12.445 1.00 1.52 H new ATOM 0 HE3 LYS A 15 45.868 21.522 11.553 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 46.977 22.192 13.561 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 47.802 22.886 12.249 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 46.768 23.839 13.201 1.00 2.24 H new ATOM 228 N LEU A 16 40.702 25.414 11.480 1.00 0.15 N ATOM 229 CA LEU A 16 39.237 25.350 11.203 1.00 0.13 C ATOM 230 C LEU A 16 38.714 26.776 10.962 1.00 0.13 C ATOM 231 O LEU A 16 37.710 26.981 10.310 1.00 0.17 O ATOM 232 CB LEU A 16 38.539 24.716 12.432 1.00 0.11 C ATOM 233 CG LEU A 16 37.494 23.667 12.007 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.181 22.433 11.370 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.690 23.249 13.248 1.00 0.17 C ATOM 0 H LEU A 16 41.013 24.876 12.289 1.00 0.15 H new ATOM 0 HA LEU A 16 39.032 24.747 10.319 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.285 24.249 13.075 1.00 0.11 H new ATOM 0 HB3 LEU A 16 38.055 25.496 13.020 1.00 0.11 H new ATOM 0 HG LEU A 16 36.828 24.098 11.259 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.424 21.706 11.078 1.00 0.26 H new ATOM 0 HD12 LEU A 16 38.744 22.744 10.490 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.859 21.980 12.093 1.00 0.26 H new ATOM 0 HD21 LEU A 16 35.945 22.506 12.965 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.364 22.823 13.991 1.00 0.17 H new ATOM 0 HD23 LEU A 16 36.191 24.122 13.669 1.00 0.17 H new ATOM 247 N LEU A 17 39.391 27.758 11.496 1.00 0.12 N ATOM 248 CA LEU A 17 38.947 29.170 11.318 1.00 0.13 C ATOM 249 C LEU A 17 39.459 29.727 9.983 1.00 0.15 C ATOM 250 O LEU A 17 38.695 30.191 9.160 1.00 0.22 O ATOM 251 CB LEU A 17 39.506 30.013 12.477 1.00 0.12 C ATOM 252 CG LEU A 17 38.672 31.294 12.662 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.426 31.010 13.511 1.00 0.12 C ATOM 254 CD2 LEU A 17 39.520 32.351 13.370 1.00 0.13 C ATOM 0 H LEU A 17 40.238 27.641 12.052 1.00 0.12 H new ATOM 0 HA LEU A 17 37.858 29.210 11.315 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.496 29.429 13.397 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.545 30.274 12.277 1.00 0.12 H new ATOM 0 HG LEU A 17 38.361 31.651 11.680 1.00 0.12 H new ATOM 0 HD11 LEU A 17 36.850 31.928 13.630 1.00 0.12 H new ATOM 0 HD12 LEU A 17 36.812 30.258 13.016 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.730 30.642 14.491 1.00 0.12 H new ATOM 0 HD21 LEU A 17 38.933 33.260 13.503 1.00 0.13 H new ATOM 0 HD22 LEU A 17 39.832 31.975 14.344 1.00 0.13 H new ATOM 0 HD23 LEU A 17 40.401 32.573 12.768 1.00 0.13 H new ATOM 266 N GLU A 18 40.747 29.702 9.772 1.00 0.20 N ATOM 267 CA GLU A 18 41.309 30.253 8.499 1.00 0.25 C ATOM 268 C GLU A 18 40.757 29.472 7.305 1.00 0.21 C ATOM 269 O GLU A 18 40.349 30.042 6.313 1.00 0.25 O ATOM 270 CB GLU A 18 42.853 30.156 8.519 1.00 0.32 C ATOM 271 CG GLU A 18 43.359 30.137 9.970 1.00 1.41 C ATOM 272 CD GLU A 18 44.809 30.629 10.027 1.00 2.13 C ATOM 273 OE1 GLU A 18 45.546 30.348 9.095 1.00 2.77 O ATOM 274 OE2 GLU A 18 45.157 31.277 11.000 1.00 2.62 O ATOM 0 H GLU A 18 41.436 29.325 10.423 1.00 0.20 H new ATOM 0 HA GLU A 18 41.018 31.299 8.407 1.00 0.25 H new ATOM 0 HB2 GLU A 18 43.176 29.253 8.001 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.286 31.002 7.985 1.00 0.32 H new ATOM 0 HG2 GLU A 18 42.727 30.770 10.592 1.00 1.41 H new ATOM 0 HG3 GLU A 18 43.293 29.127 10.373 1.00 1.41 H new ATOM 281 N LYS A 19 40.754 28.174 7.389 1.00 0.20 N ATOM 282 CA LYS A 19 40.242 27.359 6.253 1.00 0.20 C ATOM 283 C LYS A 19 38.864 27.888 5.841 1.00 0.18 C ATOM 284 O LYS A 19 38.621 28.180 4.687 1.00 0.24 O ATOM 285 CB LYS A 19 40.159 25.877 6.695 1.00 0.22 C ATOM 286 CG LYS A 19 41.070 24.998 5.823 1.00 0.30 C ATOM 287 CD LYS A 19 40.919 23.530 6.237 1.00 0.37 C ATOM 288 CE LYS A 19 42.110 22.722 5.711 1.00 0.92 C ATOM 289 NZ LYS A 19 42.530 23.264 4.389 1.00 1.77 N ATOM 0 H LYS A 19 41.083 27.641 8.194 1.00 0.20 H new ATOM 0 HA LYS A 19 40.912 27.430 5.396 1.00 0.20 H new ATOM 0 HB2 LYS A 19 40.452 25.787 7.741 1.00 0.22 H new ATOM 0 HB3 LYS A 19 39.129 25.527 6.621 1.00 0.22 H new ATOM 0 HG2 LYS A 19 40.810 25.118 4.771 1.00 0.30 H new ATOM 0 HG3 LYS A 19 42.108 25.312 5.932 1.00 0.30 H new ATOM 0 HD2 LYS A 19 40.865 23.452 7.323 1.00 0.37 H new ATOM 0 HD3 LYS A 19 39.988 23.124 5.841 1.00 0.37 H new ATOM 0 HE2 LYS A 19 42.939 22.773 6.417 1.00 0.92 H new ATOM 0 HE3 LYS A 19 41.837 21.671 5.615 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 43.099 22.553 3.887 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 41.687 23.494 3.825 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 43.097 24.124 4.531 1.00 1.77 H new ATOM 303 N PHE A 20 37.968 28.029 6.775 1.00 0.16 N ATOM 304 CA PHE A 20 36.622 28.554 6.440 1.00 0.16 C ATOM 305 C PHE A 20 36.700 30.079 6.386 1.00 0.19 C ATOM 306 O PHE A 20 35.713 30.762 6.197 1.00 0.30 O ATOM 307 CB PHE A 20 35.640 28.119 7.521 1.00 0.14 C ATOM 308 CG PHE A 20 35.348 26.643 7.372 1.00 0.13 C ATOM 309 CD1 PHE A 20 36.303 25.706 7.784 1.00 0.13 C ATOM 310 CD2 PHE A 20 34.131 26.208 6.824 1.00 0.13 C ATOM 311 CE1 PHE A 20 36.045 24.337 7.651 1.00 0.12 C ATOM 312 CE2 PHE A 20 33.875 24.838 6.692 1.00 0.13 C ATOM 313 CZ PHE A 20 34.832 23.904 7.106 1.00 0.12 C ATOM 0 H PHE A 20 38.113 27.802 7.759 1.00 0.16 H new ATOM 0 HA PHE A 20 36.286 28.170 5.477 1.00 0.16 H new ATOM 0 HB2 PHE A 20 36.056 28.320 8.508 1.00 0.14 H new ATOM 0 HB3 PHE A 20 34.717 28.693 7.441 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.240 26.040 8.205 1.00 0.13 H new ATOM 0 HD2 PHE A 20 33.393 26.929 6.505 1.00 0.13 H new ATOM 0 HE1 PHE A 20 36.782 23.615 7.969 1.00 0.12 H new ATOM 0 HE2 PHE A 20 32.939 24.502 6.271 1.00 0.13 H new ATOM 0 HZ PHE A 20 34.633 22.847 7.004 1.00 0.12 H new ATOM 323 N ARG A 21 37.883 30.612 6.544 1.00 0.18 N ATOM 324 CA ARG A 21 38.062 32.094 6.498 1.00 0.21 C ATOM 325 C ARG A 21 37.063 32.788 7.432 1.00 0.18 C ATOM 326 O ARG A 21 36.485 33.798 7.085 1.00 0.19 O ATOM 327 CB ARG A 21 37.836 32.587 5.068 1.00 0.29 C ATOM 328 CG ARG A 21 38.744 31.816 4.109 1.00 0.65 C ATOM 329 CD ARG A 21 38.530 32.327 2.684 1.00 1.12 C ATOM 330 NE ARG A 21 39.271 31.459 1.727 1.00 1.93 N ATOM 331 CZ ARG A 21 38.999 31.515 0.452 1.00 2.67 C ATOM 332 NH1 ARG A 21 38.073 32.326 0.018 1.00 2.95 N ATOM 333 NH2 ARG A 21 39.651 30.758 -0.388 1.00 3.64 N ATOM 0 H ARG A 21 38.739 30.081 6.704 1.00 0.18 H new ATOM 0 HA ARG A 21 39.074 32.334 6.823 1.00 0.21 H new ATOM 0 HB2 ARG A 21 36.792 32.449 4.786 1.00 0.29 H new ATOM 0 HB3 ARG A 21 38.045 33.655 5.004 1.00 0.29 H new ATOM 0 HG2 ARG A 21 39.787 31.941 4.399 1.00 0.65 H new ATOM 0 HG3 ARG A 21 38.524 30.750 4.161 1.00 0.65 H new ATOM 0 HD2 ARG A 21 37.467 32.328 2.443 1.00 1.12 H new ATOM 0 HD3 ARG A 21 38.876 33.357 2.600 1.00 1.12 H new ATOM 0 HE ARG A 21 39.990 30.821 2.068 1.00 1.93 H new ATOM 0 HH11 ARG A 21 37.562 32.916 0.675 1.00 2.95 H new ATOM 0 HH12 ARG A 21 37.860 32.370 -0.979 1.00 2.95 H new ATOM 0 HH21 ARG A 21 40.373 30.123 -0.048 1.00 3.64 H new ATOM 0 HH22 ARG A 21 39.439 30.802 -1.385 1.00 3.64 H new ATOM 347 N TYR A 22 36.853 32.267 8.615 1.00 0.15 N ATOM 348 CA TYR A 22 35.889 32.924 9.551 1.00 0.13 C ATOM 349 C TYR A 22 36.613 34.069 10.308 1.00 0.14 C ATOM 350 O TYR A 22 37.809 33.994 10.506 1.00 0.15 O ATOM 351 CB TYR A 22 35.400 31.892 10.584 1.00 0.11 C ATOM 352 CG TYR A 22 34.256 31.040 10.043 1.00 0.11 C ATOM 353 CD1 TYR A 22 33.085 31.632 9.529 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.364 29.640 10.075 1.00 0.11 C ATOM 355 CE1 TYR A 22 32.043 30.826 9.054 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.320 28.841 9.598 1.00 0.12 C ATOM 357 CZ TYR A 22 32.161 29.433 9.088 1.00 0.13 C ATOM 358 OH TYR A 22 31.132 28.643 8.621 1.00 0.15 O ATOM 0 H TYR A 22 37.302 31.423 8.971 1.00 0.15 H new ATOM 0 HA TYR A 22 35.046 33.319 8.985 1.00 0.13 H new ATOM 0 HB2 TYR A 22 36.229 31.245 10.871 1.00 0.11 H new ATOM 0 HB3 TYR A 22 35.072 32.409 11.486 1.00 0.11 H new ATOM 0 HD1 TYR A 22 32.991 32.708 9.501 1.00 0.12 H new ATOM 0 HD2 TYR A 22 35.257 29.179 10.470 1.00 0.11 H new ATOM 0 HE1 TYR A 22 31.146 31.281 8.661 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.409 27.765 9.624 1.00 0.12 H new ATOM 0 HH TYR A 22 31.313 28.386 7.693 1.00 0.15 H new ATOM 368 N PRO A 23 35.874 35.081 10.743 1.00 0.14 N ATOM 369 CA PRO A 23 36.465 36.199 11.512 1.00 0.16 C ATOM 370 C PRO A 23 37.087 35.671 12.819 1.00 0.16 C ATOM 371 O PRO A 23 37.013 34.499 13.127 1.00 0.15 O ATOM 372 CB PRO A 23 35.287 37.159 11.805 1.00 0.17 C ATOM 373 CG PRO A 23 33.996 36.484 11.265 1.00 0.15 C ATOM 374 CD PRO A 23 34.420 35.208 10.505 1.00 0.14 C ATOM 0 HA PRO A 23 37.263 36.703 10.966 1.00 0.16 H new ATOM 0 HB2 PRO A 23 35.203 37.349 12.875 1.00 0.17 H new ATOM 0 HB3 PRO A 23 35.448 38.123 11.322 1.00 0.17 H new ATOM 0 HG2 PRO A 23 33.322 36.235 12.085 1.00 0.15 H new ATOM 0 HG3 PRO A 23 33.457 37.162 10.604 1.00 0.15 H new ATOM 0 HD2 PRO A 23 33.883 34.334 10.873 1.00 0.14 H new ATOM 0 HD3 PRO A 23 34.201 35.292 9.441 1.00 0.14 H new ATOM 382 N TRP A 24 37.704 36.538 13.577 1.00 0.18 N ATOM 383 CA TRP A 24 38.347 36.115 14.860 1.00 0.19 C ATOM 384 C TRP A 24 37.301 35.962 15.974 1.00 0.19 C ATOM 385 O TRP A 24 37.583 35.421 17.025 1.00 0.21 O ATOM 386 CB TRP A 24 39.373 37.172 15.277 1.00 0.21 C ATOM 387 CG TRP A 24 39.982 36.786 16.586 1.00 0.28 C ATOM 388 CD1 TRP A 24 39.842 37.476 17.741 1.00 0.34 C ATOM 389 CD2 TRP A 24 40.819 35.634 16.896 1.00 0.33 C ATOM 390 NE1 TRP A 24 40.540 36.821 18.740 1.00 0.42 N ATOM 391 CE2 TRP A 24 41.159 35.681 18.268 1.00 0.42 C ATOM 392 CE3 TRP A 24 41.312 34.565 16.126 1.00 0.35 C ATOM 393 CZ2 TRP A 24 41.959 34.701 18.857 1.00 0.50 C ATOM 394 CZ3 TRP A 24 42.118 33.577 16.716 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.440 33.645 18.079 1.00 0.52 C ATOM 0 H TRP A 24 37.792 37.531 13.362 1.00 0.18 H new ATOM 0 HA TRP A 24 38.833 35.152 14.705 1.00 0.19 H new ATOM 0 HB2 TRP A 24 40.148 37.262 14.516 1.00 0.21 H new ATOM 0 HB3 TRP A 24 38.893 38.147 15.360 1.00 0.21 H new ATOM 0 HD1 TRP A 24 39.278 38.389 17.863 1.00 0.34 H new ATOM 0 HE1 TRP A 24 40.591 37.141 19.707 1.00 0.42 H new ATOM 0 HE3 TRP A 24 41.070 34.503 15.075 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 42.205 34.758 19.907 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 42.492 32.760 16.116 1.00 0.45 H new ATOM 0 HH2 TRP A 24 43.059 32.882 18.527 1.00 0.52 H new ATOM 406 N GLU A 25 36.112 36.457 15.773 1.00 0.18 N ATOM 407 CA GLU A 25 35.073 36.366 16.844 1.00 0.21 C ATOM 408 C GLU A 25 34.406 34.981 16.875 1.00 0.17 C ATOM 409 O GLU A 25 33.716 34.650 17.820 1.00 0.20 O ATOM 410 CB GLU A 25 34.004 37.430 16.584 1.00 0.29 C ATOM 411 CG GLU A 25 32.972 37.410 17.713 1.00 1.15 C ATOM 412 CD GLU A 25 32.120 38.678 17.647 1.00 1.55 C ATOM 413 OE1 GLU A 25 31.810 39.103 16.546 1.00 2.18 O ATOM 414 OE2 GLU A 25 31.791 39.203 18.698 1.00 1.97 O ATOM 0 H GLU A 25 35.812 36.921 14.915 1.00 0.18 H new ATOM 0 HA GLU A 25 35.559 36.527 17.806 1.00 0.21 H new ATOM 0 HB2 GLU A 25 34.466 38.415 16.518 1.00 0.29 H new ATOM 0 HB3 GLU A 25 33.515 37.242 15.628 1.00 0.29 H new ATOM 0 HG2 GLU A 25 32.338 36.528 17.625 1.00 1.15 H new ATOM 0 HG3 GLU A 25 33.474 37.346 18.678 1.00 1.15 H new ATOM 421 N LEU A 26 34.577 34.174 15.858 1.00 0.13 N ATOM 422 CA LEU A 26 33.914 32.826 15.853 1.00 0.11 C ATOM 423 C LEU A 26 34.850 31.740 16.383 1.00 0.10 C ATOM 424 O LEU A 26 34.739 30.589 16.010 1.00 0.11 O ATOM 425 CB LEU A 26 33.498 32.462 14.430 1.00 0.10 C ATOM 426 CG LEU A 26 32.795 33.647 13.764 1.00 0.10 C ATOM 427 CD1 LEU A 26 32.128 33.165 12.479 1.00 0.11 C ATOM 428 CD2 LEU A 26 31.726 34.227 14.702 1.00 0.12 C ATOM 0 H LEU A 26 35.142 34.384 15.035 1.00 0.13 H new ATOM 0 HA LEU A 26 33.041 32.884 16.503 1.00 0.11 H new ATOM 0 HB2 LEU A 26 34.375 32.177 13.849 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.833 31.599 14.448 1.00 0.10 H new ATOM 0 HG LEU A 26 33.528 34.422 13.542 1.00 0.10 H new ATOM 0 HD11 LEU A 26 31.623 34.001 11.995 1.00 0.11 H new ATOM 0 HD12 LEU A 26 32.884 32.759 11.807 1.00 0.11 H new ATOM 0 HD13 LEU A 26 31.399 32.390 12.716 1.00 0.11 H new ATOM 0 HD21 LEU A 26 31.234 35.069 14.216 1.00 0.12 H new ATOM 0 HD22 LEU A 26 30.988 33.459 14.932 1.00 0.12 H new ATOM 0 HD23 LEU A 26 32.197 34.565 15.625 1.00 0.12 H new ATOM 440 N MET A 27 35.758 32.070 17.255 1.00 0.12 N ATOM 441 CA MET A 27 36.662 31.018 17.791 1.00 0.13 C ATOM 442 C MET A 27 35.907 30.100 18.790 1.00 0.11 C ATOM 443 O MET A 27 36.169 28.914 18.811 1.00 0.13 O ATOM 444 CB MET A 27 37.893 31.665 18.462 1.00 0.18 C ATOM 445 CG MET A 27 38.978 31.937 17.411 1.00 0.19 C ATOM 446 SD MET A 27 39.823 30.391 16.985 1.00 1.17 S ATOM 447 CE MET A 27 40.644 30.107 18.575 1.00 0.31 C ATOM 0 H MET A 27 35.913 33.011 17.617 1.00 0.12 H new ATOM 0 HA MET A 27 37.005 30.399 16.962 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.605 32.596 18.949 1.00 0.18 H new ATOM 0 HB3 MET A 27 38.283 31.007 19.238 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.531 32.375 16.519 1.00 0.19 H new ATOM 0 HG3 MET A 27 39.697 32.661 17.796 1.00 0.19 H new ATOM 0 HE1 MET A 27 41.587 29.586 18.410 1.00 0.31 H new ATOM 0 HE2 MET A 27 40.838 31.064 19.060 1.00 0.31 H new ATOM 0 HE3 MET A 27 40.002 29.500 19.213 1.00 0.31 H new ATOM 457 N PRO A 28 34.996 30.637 19.595 1.00 0.10 N ATOM 458 CA PRO A 28 34.250 29.805 20.567 1.00 0.09 C ATOM 459 C PRO A 28 33.463 28.690 19.858 1.00 0.10 C ATOM 460 O PRO A 28 33.150 27.678 20.448 1.00 0.19 O ATOM 461 CB PRO A 28 33.307 30.792 21.289 1.00 0.09 C ATOM 462 CG PRO A 28 33.774 32.218 20.902 1.00 0.11 C ATOM 463 CD PRO A 28 34.634 32.074 19.634 1.00 0.11 C ATOM 0 HA PRO A 28 34.914 29.294 21.264 1.00 0.09 H new ATOM 0 HB2 PRO A 28 32.272 30.629 20.988 1.00 0.09 H new ATOM 0 HB3 PRO A 28 33.351 30.650 22.369 1.00 0.09 H new ATOM 0 HG2 PRO A 28 32.919 32.868 20.718 1.00 0.11 H new ATOM 0 HG3 PRO A 28 34.349 32.669 21.710 1.00 0.11 H new ATOM 0 HD2 PRO A 28 34.080 32.368 18.743 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.521 32.706 19.681 1.00 0.11 H new ATOM 471 N LEU A 29 33.141 28.855 18.604 1.00 0.11 N ATOM 472 CA LEU A 29 32.386 27.782 17.892 1.00 0.09 C ATOM 473 C LEU A 29 33.385 26.753 17.374 1.00 0.10 C ATOM 474 O LEU A 29 33.262 25.572 17.630 1.00 0.19 O ATOM 475 CB LEU A 29 31.593 28.383 16.730 1.00 0.08 C ATOM 476 CG LEU A 29 30.704 29.521 17.247 1.00 0.08 C ATOM 477 CD1 LEU A 29 30.086 30.257 16.059 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.583 28.953 18.130 1.00 0.08 C ATOM 0 H LEU A 29 33.365 29.678 18.045 1.00 0.11 H new ATOM 0 HA LEU A 29 31.682 27.304 18.573 1.00 0.09 H new ATOM 0 HB2 LEU A 29 32.275 28.759 15.967 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.980 27.615 16.259 1.00 0.08 H new ATOM 0 HG LEU A 29 31.310 30.209 17.836 1.00 0.08 H new ATOM 0 HD11 LEU A 29 29.453 31.067 16.422 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.878 30.668 15.433 1.00 0.09 H new ATOM 0 HD13 LEU A 29 29.485 29.562 15.473 1.00 0.09 H new ATOM 0 HD21 LEU A 29 28.957 29.768 18.493 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.976 28.261 17.547 1.00 0.08 H new ATOM 0 HD23 LEU A 29 30.020 28.426 18.978 1.00 0.08 H new ATOM 490 N MET A 30 34.393 27.190 16.675 1.00 0.10 N ATOM 491 CA MET A 30 35.414 26.233 16.181 1.00 0.12 C ATOM 492 C MET A 30 35.936 25.444 17.384 1.00 0.10 C ATOM 493 O MET A 30 36.544 24.400 17.251 1.00 0.11 O ATOM 494 CB MET A 30 36.572 27.011 15.546 1.00 0.16 C ATOM 495 CG MET A 30 36.098 27.771 14.307 1.00 0.19 C ATOM 496 SD MET A 30 35.485 26.607 13.059 1.00 1.16 S ATOM 497 CE MET A 30 33.819 27.291 12.876 1.00 0.20 C ATOM 0 H MET A 30 34.552 28.166 16.426 1.00 0.10 H new ATOM 0 HA MET A 30 34.983 25.562 15.438 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.987 27.711 16.271 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.372 26.323 15.273 1.00 0.16 H new ATOM 0 HG2 MET A 30 35.309 28.472 14.580 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.918 28.359 13.895 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.353 26.880 11.980 1.00 0.20 H new ATOM 0 HE2 MET A 30 33.220 27.029 13.749 1.00 0.20 H new ATOM 0 HE3 MET A 30 33.879 28.376 12.789 1.00 0.20 H new ATOM 507 N TYR A 31 35.699 25.958 18.562 1.00 0.09 N ATOM 508 CA TYR A 31 36.169 25.281 19.804 1.00 0.09 C ATOM 509 C TYR A 31 35.227 24.121 20.152 1.00 0.09 C ATOM 510 O TYR A 31 35.652 22.995 20.314 1.00 0.10 O ATOM 511 CB TYR A 31 36.182 26.313 20.940 1.00 0.09 C ATOM 512 CG TYR A 31 36.380 25.638 22.277 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.671 25.439 22.776 1.00 0.11 C ATOM 514 CD2 TYR A 31 35.270 25.226 23.020 1.00 0.10 C ATOM 515 CE1 TYR A 31 37.852 24.824 24.019 1.00 0.12 C ATOM 516 CE2 TYR A 31 35.448 24.613 24.265 1.00 0.11 C ATOM 517 CZ TYR A 31 36.740 24.410 24.765 1.00 0.12 C ATOM 518 OH TYR A 31 36.919 23.805 25.992 1.00 0.14 O ATOM 0 H TYR A 31 35.193 26.830 18.717 1.00 0.09 H new ATOM 0 HA TYR A 31 37.171 24.878 19.658 1.00 0.09 H new ATOM 0 HB2 TYR A 31 36.980 27.036 20.771 1.00 0.09 H new ATOM 0 HB3 TYR A 31 35.244 26.868 20.943 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.528 25.760 22.202 1.00 0.11 H new ATOM 0 HD2 TYR A 31 34.274 25.381 22.633 1.00 0.10 H new ATOM 0 HE1 TYR A 31 38.849 24.668 24.404 1.00 0.12 H new ATOM 0 HE2 TYR A 31 34.590 24.297 24.840 1.00 0.11 H new ATOM 0 HH TYR A 31 36.046 23.581 26.377 1.00 0.14 H new ATOM 528 N VAL A 32 33.953 24.385 20.273 1.00 0.09 N ATOM 529 CA VAL A 32 32.998 23.291 20.613 1.00 0.09 C ATOM 530 C VAL A 32 33.064 22.204 19.539 1.00 0.09 C ATOM 531 O VAL A 32 33.219 21.036 19.831 1.00 0.12 O ATOM 532 CB VAL A 32 31.573 23.852 20.683 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.603 22.730 21.071 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.512 24.971 21.731 1.00 0.12 C ATOM 0 H VAL A 32 33.534 25.307 20.152 1.00 0.09 H new ATOM 0 HA VAL A 32 33.267 22.866 21.580 1.00 0.09 H new ATOM 0 HB VAL A 32 31.292 24.255 19.710 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.589 23.127 21.121 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.646 21.937 20.324 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.884 22.327 22.044 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.498 25.369 21.780 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.793 24.572 22.706 1.00 0.12 H new ATOM 0 HG23 VAL A 32 32.202 25.768 21.453 1.00 0.12 H new ATOM 544 N ILE A 33 32.944 22.578 18.296 1.00 0.09 N ATOM 545 CA ILE A 33 32.997 21.568 17.201 1.00 0.09 C ATOM 546 C ILE A 33 34.183 20.609 17.433 1.00 0.10 C ATOM 547 O ILE A 33 33.995 19.436 17.685 1.00 0.11 O ATOM 548 CB ILE A 33 33.129 22.307 15.862 1.00 0.09 C ATOM 549 CG1 ILE A 33 31.863 23.146 15.639 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.279 21.303 14.720 1.00 0.10 C ATOM 551 CD1 ILE A 33 32.042 24.069 14.429 1.00 0.09 C ATOM 0 H ILE A 33 32.811 23.542 17.990 1.00 0.09 H new ATOM 0 HA ILE A 33 32.086 20.970 17.187 1.00 0.09 H new ATOM 0 HB ILE A 33 34.010 22.949 15.884 1.00 0.09 H new ATOM 0 HG12 ILE A 33 31.007 22.490 15.481 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.650 23.739 16.529 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.372 21.838 13.775 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.170 20.697 14.883 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.402 20.657 14.686 1.00 0.10 H new ATOM 0 HD11 ILE A 33 31.136 24.658 14.283 1.00 0.09 H new ATOM 0 HD12 ILE A 33 32.885 24.738 14.603 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.232 23.469 13.539 1.00 0.09 H new ATOM 563 N LEU A 34 35.396 21.094 17.363 1.00 0.10 N ATOM 564 CA LEU A 34 36.583 20.205 17.594 1.00 0.11 C ATOM 565 C LEU A 34 36.394 19.418 18.905 1.00 0.13 C ATOM 566 O LEU A 34 36.718 18.250 18.985 1.00 0.20 O ATOM 567 CB LEU A 34 37.851 21.105 17.693 1.00 0.09 C ATOM 568 CG LEU A 34 38.772 21.082 16.419 1.00 0.09 C ATOM 569 CD1 LEU A 34 38.031 20.679 15.131 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.376 22.479 16.223 1.00 0.10 C ATOM 0 H LEU A 34 35.620 22.067 17.156 1.00 0.10 H new ATOM 0 HA LEU A 34 36.690 19.495 16.774 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.538 22.132 17.880 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.438 20.789 18.555 1.00 0.09 H new ATOM 0 HG LEU A 34 39.539 20.327 16.594 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.728 20.685 14.293 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.614 19.679 15.249 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.226 21.388 14.938 1.00 0.10 H new ATOM 0 HD21 LEU A 34 40.018 22.478 15.342 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.575 23.206 16.087 1.00 0.10 H new ATOM 0 HD23 LEU A 34 39.965 22.747 17.100 1.00 0.10 H new ATOM 582 N LYS A 35 35.899 20.047 19.932 1.00 0.12 N ATOM 583 CA LYS A 35 35.724 19.331 21.230 1.00 0.15 C ATOM 584 C LYS A 35 34.984 18.002 21.026 1.00 0.21 C ATOM 585 O LYS A 35 35.322 17.002 21.627 1.00 0.29 O ATOM 586 CB LYS A 35 34.934 20.217 22.200 1.00 0.13 C ATOM 587 CG LYS A 35 35.072 19.664 23.620 1.00 0.17 C ATOM 588 CD LYS A 35 34.364 20.595 24.605 1.00 0.26 C ATOM 589 CE LYS A 35 34.242 19.903 25.964 1.00 0.80 C ATOM 590 NZ LYS A 35 35.602 19.560 26.470 1.00 1.49 N ATOM 0 H LYS A 35 35.608 21.024 19.932 1.00 0.12 H new ATOM 0 HA LYS A 35 36.709 19.116 21.644 1.00 0.15 H new ATOM 0 HB2 LYS A 35 35.305 21.241 22.159 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.884 20.247 21.910 1.00 0.13 H new ATOM 0 HG2 LYS A 35 34.641 18.664 23.675 1.00 0.17 H new ATOM 0 HG3 LYS A 35 36.125 19.572 23.884 1.00 0.17 H new ATOM 0 HD2 LYS A 35 34.922 21.526 24.708 1.00 0.26 H new ATOM 0 HD3 LYS A 35 33.375 20.856 24.228 1.00 0.26 H new ATOM 0 HE2 LYS A 35 33.733 20.556 26.672 1.00 0.80 H new ATOM 0 HE3 LYS A 35 33.638 19.000 25.872 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 35.547 19.328 27.482 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 35.971 18.741 25.946 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 36.238 20.372 26.335 1.00 1.49 H new ATOM 604 N ASP A 36 33.970 17.978 20.203 1.00 0.24 N ATOM 605 CA ASP A 36 33.210 16.707 19.991 1.00 0.32 C ATOM 606 C ASP A 36 33.852 15.870 18.883 1.00 0.26 C ATOM 607 O ASP A 36 33.858 14.657 18.938 1.00 0.36 O ATOM 608 CB ASP A 36 31.773 17.043 19.610 1.00 0.42 C ATOM 609 CG ASP A 36 31.144 17.860 20.735 1.00 0.84 C ATOM 610 OD1 ASP A 36 31.585 18.979 20.944 1.00 1.56 O ATOM 611 OD2 ASP A 36 30.235 17.355 21.372 1.00 1.42 O ATOM 0 H ASP A 36 33.634 18.779 19.669 1.00 0.24 H new ATOM 0 HA ASP A 36 33.227 16.127 20.914 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.752 17.606 18.677 1.00 0.42 H new ATOM 0 HB3 ASP A 36 31.203 16.129 19.443 1.00 0.42 H new ATOM 616 N ALA A 37 34.384 16.501 17.875 1.00 0.18 N ATOM 617 CA ALA A 37 35.012 15.730 16.769 1.00 0.17 C ATOM 618 C ALA A 37 36.377 15.225 17.212 1.00 0.16 C ATOM 619 O ALA A 37 37.310 15.177 16.435 1.00 0.21 O ATOM 620 CB ALA A 37 35.201 16.650 15.570 1.00 0.19 C ATOM 0 H ALA A 37 34.411 17.515 17.770 1.00 0.18 H new ATOM 0 HA ALA A 37 34.373 14.887 16.505 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.661 16.094 14.753 1.00 0.19 H new ATOM 0 HB2 ALA A 37 34.232 17.032 15.248 1.00 0.19 H new ATOM 0 HB3 ALA A 37 35.845 17.484 15.849 1.00 0.19 H new ATOM 626 N ASP A 38 36.522 14.865 18.455 1.00 0.18 N ATOM 627 CA ASP A 38 37.850 14.392 18.919 1.00 0.20 C ATOM 628 C ASP A 38 38.876 15.461 18.542 1.00 0.18 C ATOM 629 O ASP A 38 40.066 15.223 18.488 1.00 0.22 O ATOM 630 CB ASP A 38 38.185 13.062 18.228 1.00 0.25 C ATOM 631 CG ASP A 38 39.190 12.271 19.073 1.00 1.00 C ATOM 632 OD1 ASP A 38 38.969 12.157 20.267 1.00 1.82 O ATOM 633 OD2 ASP A 38 40.161 11.794 18.510 1.00 1.65 O ATOM 0 H ASP A 38 35.787 14.878 19.162 1.00 0.18 H new ATOM 0 HA ASP A 38 37.856 14.230 19.997 1.00 0.20 H new ATOM 0 HB2 ASP A 38 37.276 12.477 18.087 1.00 0.25 H new ATOM 0 HB3 ASP A 38 38.599 13.251 17.238 1.00 0.25 H new ATOM 638 N ALA A 39 38.389 16.638 18.259 1.00 0.14 N ATOM 639 CA ALA A 39 39.272 17.757 17.856 1.00 0.14 C ATOM 640 C ALA A 39 40.003 17.385 16.567 1.00 0.14 C ATOM 641 O ALA A 39 40.941 18.041 16.160 1.00 0.16 O ATOM 642 CB ALA A 39 40.280 18.056 18.960 1.00 0.16 C ATOM 0 H ALA A 39 37.396 16.871 18.292 1.00 0.14 H new ATOM 0 HA ALA A 39 38.668 18.649 17.687 1.00 0.14 H new ATOM 0 HB1 ALA A 39 40.923 18.880 18.652 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.750 18.331 19.872 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.888 17.171 19.147 1.00 0.16 H new ATOM 648 N ASN A 40 39.570 16.340 15.915 1.00 0.14 N ATOM 649 CA ASN A 40 40.227 15.927 14.642 1.00 0.16 C ATOM 650 C ASN A 40 39.651 16.782 13.510 1.00 0.14 C ATOM 651 O ASN A 40 38.576 16.523 13.007 1.00 0.15 O ATOM 652 CB ASN A 40 39.947 14.424 14.383 1.00 0.20 C ATOM 653 CG ASN A 40 41.222 13.596 14.598 1.00 0.78 C ATOM 654 OD1 ASN A 40 41.432 13.046 15.661 1.00 1.77 O ATOM 655 ND2 ASN A 40 42.085 13.488 13.624 1.00 1.19 N ATOM 0 H ASN A 40 38.789 15.754 16.209 1.00 0.14 H new ATOM 0 HA ASN A 40 41.306 16.072 14.699 1.00 0.16 H new ATOM 0 HB2 ASN A 40 39.161 14.074 15.052 1.00 0.20 H new ATOM 0 HB3 ASN A 40 39.584 14.286 13.365 1.00 0.20 H new ATOM 0 HD21 ASN A 40 42.936 12.942 13.755 1.00 1.19 H new ATOM 0 HD22 ASN A 40 41.908 13.950 12.732 1.00 1.19 H new ATOM 662 N ILE A 41 40.354 17.804 13.114 1.00 0.13 N ATOM 663 CA ILE A 41 39.846 18.681 12.025 1.00 0.12 C ATOM 664 C ILE A 41 39.340 17.821 10.863 1.00 0.13 C ATOM 665 O ILE A 41 38.273 18.053 10.331 1.00 0.14 O ATOM 666 CB ILE A 41 40.973 19.615 11.569 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.185 20.668 12.668 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.594 20.290 10.240 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.393 21.546 12.345 1.00 0.16 C ATOM 0 H ILE A 41 41.260 18.070 13.498 1.00 0.13 H new ATOM 0 HA ILE A 41 39.014 19.285 12.386 1.00 0.12 H new ATOM 0 HB ILE A 41 41.893 19.053 11.407 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.293 21.287 12.763 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.334 20.174 13.628 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.401 20.951 9.925 1.00 0.15 H new ATOM 0 HG22 ILE A 41 40.431 19.528 9.478 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.681 20.870 10.374 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.527 22.285 13.135 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.286 20.925 12.274 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.229 22.055 11.395 1.00 0.16 H new ATOM 681 N GLU A 42 40.081 16.822 10.478 1.00 0.15 N ATOM 682 CA GLU A 42 39.615 15.951 9.369 1.00 0.16 C ATOM 683 C GLU A 42 38.247 15.383 9.744 1.00 0.16 C ATOM 684 O GLU A 42 37.447 15.052 8.896 1.00 0.19 O ATOM 685 CB GLU A 42 40.611 14.807 9.157 1.00 0.19 C ATOM 686 CG GLU A 42 41.859 15.340 8.449 1.00 0.26 C ATOM 687 CD GLU A 42 42.932 14.250 8.411 1.00 1.04 C ATOM 688 OE1 GLU A 42 42.739 13.232 9.055 1.00 1.80 O ATOM 689 OE2 GLU A 42 43.929 14.451 7.737 1.00 1.67 O ATOM 0 H GLU A 42 40.984 16.573 10.881 1.00 0.15 H new ATOM 0 HA GLU A 42 39.541 16.526 8.446 1.00 0.16 H new ATOM 0 HB2 GLU A 42 40.884 14.366 10.116 1.00 0.19 H new ATOM 0 HB3 GLU A 42 40.152 14.017 8.562 1.00 0.19 H new ATOM 0 HG2 GLU A 42 41.609 15.653 7.436 1.00 0.26 H new ATOM 0 HG3 GLU A 42 42.238 16.219 8.970 1.00 0.26 H new ATOM 696 N GLU A 43 37.971 15.275 11.017 1.00 0.15 N ATOM 697 CA GLU A 43 36.648 14.745 11.458 1.00 0.16 C ATOM 698 C GLU A 43 35.654 15.905 11.567 1.00 0.15 C ATOM 699 O GLU A 43 34.505 15.790 11.189 1.00 0.21 O ATOM 700 CB GLU A 43 36.793 14.067 12.823 1.00 0.18 C ATOM 701 CG GLU A 43 35.459 13.429 13.219 1.00 0.33 C ATOM 702 CD GLU A 43 35.661 12.548 14.453 1.00 1.21 C ATOM 703 OE1 GLU A 43 36.804 12.312 14.808 1.00 1.84 O ATOM 704 OE2 GLU A 43 34.669 12.124 15.022 1.00 1.95 O ATOM 0 H GLU A 43 38.607 15.532 11.772 1.00 0.15 H new ATOM 0 HA GLU A 43 36.286 14.016 10.732 1.00 0.16 H new ATOM 0 HB2 GLU A 43 37.574 13.308 12.783 1.00 0.18 H new ATOM 0 HB3 GLU A 43 37.096 14.797 13.573 1.00 0.18 H new ATOM 0 HG2 GLU A 43 34.721 14.204 13.429 1.00 0.33 H new ATOM 0 HG3 GLU A 43 35.069 12.833 12.394 1.00 0.33 H new ATOM 711 N ALA A 44 36.089 17.024 12.087 1.00 0.13 N ATOM 712 CA ALA A 44 35.169 18.191 12.225 1.00 0.14 C ATOM 713 C ALA A 44 34.941 18.833 10.853 1.00 0.16 C ATOM 714 O ALA A 44 33.821 19.080 10.451 1.00 0.20 O ATOM 715 CB ALA A 44 35.784 19.227 13.179 1.00 0.14 C ATOM 0 H ALA A 44 37.040 17.179 12.421 1.00 0.13 H new ATOM 0 HA ALA A 44 34.216 17.849 12.628 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.109 20.077 13.277 1.00 0.14 H new ATOM 0 HB2 ALA A 44 35.940 18.773 14.158 1.00 0.14 H new ATOM 0 HB3 ALA A 44 36.740 19.567 12.780 1.00 0.14 H new ATOM 721 N SER A 45 35.993 19.111 10.134 1.00 0.16 N ATOM 722 CA SER A 45 35.831 19.744 8.794 1.00 0.21 C ATOM 723 C SER A 45 34.761 18.993 8.000 1.00 0.20 C ATOM 724 O SER A 45 34.152 19.528 7.096 1.00 0.32 O ATOM 725 CB SER A 45 37.159 19.695 8.042 1.00 0.26 C ATOM 726 OG SER A 45 36.930 19.974 6.668 1.00 1.01 O ATOM 0 H SER A 45 36.956 18.928 10.415 1.00 0.16 H new ATOM 0 HA SER A 45 35.525 20.783 8.918 1.00 0.21 H new ATOM 0 HB2 SER A 45 37.855 20.422 8.462 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.618 18.713 8.154 1.00 0.26 H new ATOM 0 HG SER A 45 37.721 20.408 6.286 1.00 1.01 H new ATOM 732 N ARG A 46 34.527 17.757 8.336 1.00 0.18 N ATOM 733 CA ARG A 46 33.496 16.965 7.609 1.00 0.20 C ATOM 734 C ARG A 46 32.107 17.398 8.097 1.00 0.16 C ATOM 735 O ARG A 46 31.139 17.359 7.363 1.00 0.22 O ATOM 736 CB ARG A 46 33.718 15.464 7.894 1.00 0.23 C ATOM 737 CG ARG A 46 34.617 14.827 6.816 1.00 0.85 C ATOM 738 CD ARG A 46 35.877 15.681 6.572 1.00 1.14 C ATOM 739 NE ARG A 46 35.629 16.604 5.428 1.00 1.59 N ATOM 740 CZ ARG A 46 36.453 17.587 5.195 1.00 2.17 C ATOM 741 NH1 ARG A 46 37.509 17.743 5.946 1.00 2.66 N ATOM 742 NH2 ARG A 46 36.227 18.411 4.207 1.00 2.87 N ATOM 0 H ARG A 46 35.007 17.258 9.085 1.00 0.18 H new ATOM 0 HA ARG A 46 33.571 17.137 6.535 1.00 0.20 H new ATOM 0 HB2 ARG A 46 34.176 15.340 8.875 1.00 0.23 H new ATOM 0 HB3 ARG A 46 32.758 14.949 7.923 1.00 0.23 H new ATOM 0 HG2 ARG A 46 34.908 13.824 7.127 1.00 0.85 H new ATOM 0 HG3 ARG A 46 34.058 14.723 5.886 1.00 0.85 H new ATOM 0 HD2 ARG A 46 36.124 16.251 7.468 1.00 1.14 H new ATOM 0 HD3 ARG A 46 36.731 15.038 6.358 1.00 1.14 H new ATOM 0 HE ARG A 46 34.816 16.467 4.828 1.00 1.59 H new ATOM 0 HH11 ARG A 46 37.689 17.096 6.714 1.00 2.66 H new ATOM 0 HH12 ARG A 46 38.155 18.512 5.765 1.00 2.66 H new ATOM 0 HH21 ARG A 46 35.405 18.286 3.616 1.00 2.87 H new ATOM 0 HH22 ARG A 46 36.873 19.180 4.026 1.00 2.87 H new ATOM 756 N ARG A 47 32.004 17.811 9.332 1.00 0.13 N ATOM 757 CA ARG A 47 30.682 18.246 9.866 1.00 0.13 C ATOM 758 C ARG A 47 30.356 19.644 9.341 1.00 0.11 C ATOM 759 O ARG A 47 29.352 19.857 8.690 1.00 0.13 O ATOM 760 CB ARG A 47 30.735 18.276 11.395 1.00 0.18 C ATOM 761 CG ARG A 47 31.376 16.986 11.912 1.00 0.49 C ATOM 762 CD ARG A 47 31.398 17.002 13.442 1.00 0.62 C ATOM 763 NE ARG A 47 31.668 15.626 13.943 1.00 0.81 N ATOM 764 CZ ARG A 47 31.996 15.438 15.191 1.00 1.20 C ATOM 765 NH1 ARG A 47 32.083 16.455 16.003 1.00 1.99 N ATOM 766 NH2 ARG A 47 32.236 14.232 15.627 1.00 1.63 N ATOM 0 H ARG A 47 32.778 17.866 9.994 1.00 0.13 H new ATOM 0 HA ARG A 47 29.911 17.547 9.542 1.00 0.13 H new ATOM 0 HB2 ARG A 47 31.309 19.139 11.732 1.00 0.18 H new ATOM 0 HB3 ARG A 47 29.729 18.383 11.802 1.00 0.18 H new ATOM 0 HG2 ARG A 47 30.816 16.121 11.555 1.00 0.49 H new ATOM 0 HG3 ARG A 47 32.390 16.891 11.524 1.00 0.49 H new ATOM 0 HD2 ARG A 47 32.165 17.689 13.799 1.00 0.62 H new ATOM 0 HD3 ARG A 47 30.444 17.361 13.827 1.00 0.62 H new ATOM 0 HE ARG A 47 31.596 14.830 13.309 1.00 0.81 H new ATOM 0 HH11 ARG A 47 31.894 17.398 15.662 1.00 1.99 H new ATOM 0 HH12 ARG A 47 32.340 16.308 16.979 1.00 1.99 H new ATOM 0 HH21 ARG A 47 32.167 13.437 14.992 1.00 1.63 H new ATOM 0 HH22 ARG A 47 32.493 14.084 16.603 1.00 1.63 H new ATOM 780 N ILE A 48 31.200 20.598 9.617 1.00 0.10 N ATOM 781 CA ILE A 48 30.949 21.988 9.134 1.00 0.10 C ATOM 782 C ILE A 48 30.575 21.945 7.655 1.00 0.11 C ATOM 783 O ILE A 48 29.503 22.362 7.264 1.00 0.13 O ATOM 784 CB ILE A 48 32.209 22.828 9.331 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.721 22.629 10.761 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.869 24.301 9.106 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.865 23.601 11.046 1.00 0.10 C ATOM 0 H ILE A 48 32.056 20.476 10.158 1.00 0.10 H new ATOM 0 HA ILE A 48 30.131 22.435 9.699 1.00 0.10 H new ATOM 0 HB ILE A 48 32.978 22.522 8.622 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.911 22.790 11.472 1.00 0.09 H new ATOM 0 HG13 ILE A 48 33.063 21.603 10.894 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.765 24.907 9.245 1.00 0.11 H new ATOM 0 HG22 ILE A 48 31.493 24.437 8.092 1.00 0.11 H new ATOM 0 HG23 ILE A 48 31.106 24.612 9.820 1.00 0.11 H new ATOM 0 HD11 ILE A 48 34.223 23.453 12.065 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.680 23.420 10.345 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.509 24.625 10.932 1.00 0.10 H new ATOM 799 N GLU A 49 31.440 21.426 6.831 1.00 0.11 N ATOM 800 CA GLU A 49 31.120 21.334 5.376 1.00 0.12 C ATOM 801 C GLU A 49 29.727 20.734 5.223 1.00 0.12 C ATOM 802 O GLU A 49 28.820 21.354 4.705 1.00 0.13 O ATOM 803 CB GLU A 49 32.119 20.404 4.700 1.00 0.13 C ATOM 804 CG GLU A 49 33.466 21.110 4.525 1.00 0.15 C ATOM 805 CD GLU A 49 34.361 20.272 3.611 1.00 0.17 C ATOM 806 OE1 GLU A 49 33.869 19.298 3.064 1.00 1.09 O ATOM 807 OE2 GLU A 49 35.523 20.617 3.473 1.00 1.08 O ATOM 0 H GLU A 49 32.354 21.061 7.099 1.00 0.11 H new ATOM 0 HA GLU A 49 31.166 22.325 4.923 1.00 0.12 H new ATOM 0 HB2 GLU A 49 32.248 19.502 5.298 1.00 0.13 H new ATOM 0 HB3 GLU A 49 31.736 20.091 3.729 1.00 0.13 H new ATOM 0 HG2 GLU A 49 33.317 22.102 4.098 1.00 0.15 H new ATOM 0 HG3 GLU A 49 33.945 21.249 5.494 1.00 0.15 H new ATOM 814 N GLU A 50 29.551 19.532 5.701 1.00 0.12 N ATOM 815 CA GLU A 50 28.215 18.890 5.618 1.00 0.13 C ATOM 816 C GLU A 50 27.211 19.863 6.214 1.00 0.12 C ATOM 817 O GLU A 50 26.033 19.805 5.950 1.00 0.12 O ATOM 818 CB GLU A 50 28.213 17.585 6.418 1.00 0.14 C ATOM 819 CG GLU A 50 26.947 16.789 6.095 1.00 0.17 C ATOM 820 CD GLU A 50 26.919 15.511 6.936 1.00 1.15 C ATOM 821 OE1 GLU A 50 27.971 15.114 7.411 1.00 2.03 O ATOM 822 OE2 GLU A 50 25.846 14.950 7.091 1.00 1.74 O ATOM 0 H GLU A 50 30.277 18.969 6.145 1.00 0.12 H new ATOM 0 HA GLU A 50 27.961 18.656 4.584 1.00 0.13 H new ATOM 0 HB2 GLU A 50 29.097 16.996 6.175 1.00 0.14 H new ATOM 0 HB3 GLU A 50 28.257 17.801 7.486 1.00 0.14 H new ATOM 0 HG2 GLU A 50 26.063 17.392 6.301 1.00 0.17 H new ATOM 0 HG3 GLU A 50 26.922 16.540 5.034 1.00 0.17 H new ATOM 829 N GLY A 51 27.693 20.776 7.008 1.00 0.11 N ATOM 830 CA GLY A 51 26.786 21.790 7.622 1.00 0.10 C ATOM 831 C GLY A 51 26.526 22.888 6.593 1.00 0.10 C ATOM 832 O GLY A 51 25.400 23.160 6.227 1.00 0.11 O ATOM 0 H GLY A 51 28.677 20.866 7.260 1.00 0.11 H new ATOM 0 HA2 GLY A 51 25.848 21.325 7.926 1.00 0.10 H new ATOM 0 HA3 GLY A 51 27.239 22.211 8.520 1.00 0.10 H new ATOM 836 N GLN A 52 27.570 23.503 6.101 1.00 0.10 N ATOM 837 CA GLN A 52 27.403 24.565 5.068 1.00 0.12 C ATOM 838 C GLN A 52 26.481 24.032 3.982 1.00 0.12 C ATOM 839 O GLN A 52 25.565 24.695 3.537 1.00 0.13 O ATOM 840 CB GLN A 52 28.769 24.891 4.463 1.00 0.14 C ATOM 841 CG GLN A 52 29.721 25.332 5.576 1.00 0.19 C ATOM 842 CD GLN A 52 29.359 26.747 6.024 1.00 0.42 C ATOM 843 OE1 GLN A 52 29.879 27.223 7.122 1.00 0.95 O flip ATOM 844 NE2 GLN A 52 28.596 27.428 5.369 1.00 0.39 N flip ATOM 0 H GLN A 52 28.535 23.314 6.372 1.00 0.10 H new ATOM 0 HA GLN A 52 26.979 25.467 5.510 1.00 0.12 H new ATOM 0 HB2 GLN A 52 29.171 24.017 3.950 1.00 0.14 H new ATOM 0 HB3 GLN A 52 28.671 25.681 3.718 1.00 0.14 H new ATOM 0 HG2 GLN A 52 29.656 24.644 6.419 1.00 0.19 H new ATOM 0 HG3 GLN A 52 30.751 25.304 5.221 1.00 0.19 H new ATOM 0 HE21 GLN A 52 28.189 27.056 4.511 1.00 0.39 H new ATOM 0 HE22 GLN A 52 28.362 28.372 5.677 1.00 0.39 H new ATOM 853 N TYR A 53 26.715 22.824 3.570 1.00 0.12 N ATOM 854 CA TYR A 53 25.849 22.217 2.525 1.00 0.13 C ATOM 855 C TYR A 53 24.403 22.185 3.039 1.00 0.13 C ATOM 856 O TYR A 53 23.486 22.565 2.341 1.00 0.15 O ATOM 857 CB TYR A 53 26.341 20.790 2.201 1.00 0.14 C ATOM 858 CG TYR A 53 25.248 20.009 1.499 1.00 0.15 C ATOM 859 CD1 TYR A 53 24.223 19.436 2.252 1.00 0.16 C ATOM 860 CD2 TYR A 53 25.254 19.871 0.106 1.00 0.17 C ATOM 861 CE1 TYR A 53 23.199 18.725 1.627 1.00 0.18 C ATOM 862 CE2 TYR A 53 24.227 19.157 -0.528 1.00 0.19 C ATOM 863 CZ TYR A 53 23.197 18.585 0.233 1.00 0.19 C ATOM 864 OH TYR A 53 22.186 17.883 -0.390 1.00 0.22 O ATOM 0 H TYR A 53 27.469 22.228 3.911 1.00 0.12 H new ATOM 0 HA TYR A 53 25.894 22.810 1.611 1.00 0.13 H new ATOM 0 HB2 TYR A 53 27.228 20.837 1.569 1.00 0.14 H new ATOM 0 HB3 TYR A 53 26.631 20.280 3.119 1.00 0.14 H new ATOM 0 HD1 TYR A 53 24.222 19.544 3.327 1.00 0.16 H new ATOM 0 HD2 TYR A 53 26.047 20.313 -0.479 1.00 0.17 H new ATOM 0 HE1 TYR A 53 22.409 18.283 2.216 1.00 0.18 H new ATOM 0 HE2 TYR A 53 24.229 19.048 -1.602 1.00 0.19 H new ATOM 0 HH TYR A 53 22.336 17.883 -1.358 1.00 0.22 H new ATOM 874 N VAL A 54 24.185 21.731 4.248 1.00 0.15 N ATOM 875 CA VAL A 54 22.786 21.682 4.771 1.00 0.14 C ATOM 876 C VAL A 54 22.161 23.072 4.663 1.00 0.14 C ATOM 877 O VAL A 54 21.212 23.284 3.937 1.00 0.15 O ATOM 878 CB VAL A 54 22.758 21.247 6.249 1.00 0.13 C ATOM 879 CG1 VAL A 54 21.299 21.280 6.729 1.00 0.14 C ATOM 880 CG2 VAL A 54 23.334 19.814 6.429 1.00 0.14 C ATOM 0 H VAL A 54 24.905 21.396 4.888 1.00 0.15 H new ATOM 0 HA VAL A 54 22.227 20.957 4.180 1.00 0.14 H new ATOM 0 HB VAL A 54 23.376 21.928 6.834 1.00 0.13 H new ATOM 0 HG11 VAL A 54 21.253 20.975 7.775 1.00 0.14 H new ATOM 0 HG12 VAL A 54 20.906 22.291 6.628 1.00 0.14 H new ATOM 0 HG13 VAL A 54 20.702 20.597 6.125 1.00 0.14 H new ATOM 0 HG21 VAL A 54 23.300 19.538 7.483 1.00 0.14 H new ATOM 0 HG22 VAL A 54 22.740 19.108 5.849 1.00 0.14 H new ATOM 0 HG23 VAL A 54 24.367 19.791 6.081 1.00 0.14 H new ATOM 890 N VAL A 55 22.685 24.017 5.389 1.00 0.15 N ATOM 891 CA VAL A 55 22.126 25.396 5.341 1.00 0.16 C ATOM 892 C VAL A 55 22.069 25.866 3.889 1.00 0.19 C ATOM 893 O VAL A 55 21.023 26.215 3.377 1.00 0.22 O ATOM 894 CB VAL A 55 23.025 26.333 6.155 1.00 0.19 C ATOM 895 CG1 VAL A 55 22.351 27.698 6.299 1.00 0.29 C ATOM 896 CG2 VAL A 55 23.254 25.735 7.545 1.00 0.13 C ATOM 0 H VAL A 55 23.480 23.894 6.016 1.00 0.15 H new ATOM 0 HA VAL A 55 21.121 25.404 5.762 1.00 0.16 H new ATOM 0 HB VAL A 55 23.980 26.452 5.642 1.00 0.19 H new ATOM 0 HG11 VAL A 55 22.993 28.362 6.878 1.00 0.29 H new ATOM 0 HG12 VAL A 55 22.183 28.127 5.311 1.00 0.29 H new ATOM 0 HG13 VAL A 55 21.396 27.580 6.810 1.00 0.29 H new ATOM 0 HG21 VAL A 55 23.893 26.400 8.126 1.00 0.13 H new ATOM 0 HG22 VAL A 55 22.297 25.617 8.053 1.00 0.13 H new ATOM 0 HG23 VAL A 55 23.735 24.762 7.448 1.00 0.13 H new ATOM 906 N ASN A 56 23.186 25.875 3.220 1.00 0.22 N ATOM 907 CA ASN A 56 23.200 26.319 1.798 1.00 0.27 C ATOM 908 C ASN A 56 22.175 25.507 1.002 1.00 0.26 C ATOM 909 O ASN A 56 21.322 26.053 0.331 1.00 0.33 O ATOM 910 CB ASN A 56 24.595 26.101 1.209 1.00 0.35 C ATOM 911 CG ASN A 56 25.614 26.927 1.994 1.00 0.71 C ATOM 912 OD1 ASN A 56 25.206 27.659 2.993 1.00 1.56 O flip ATOM 913 ND2 ASN A 56 26.792 26.906 1.696 1.00 0.90 N flip ATOM 0 H ASN A 56 24.092 25.594 3.596 1.00 0.22 H new ATOM 0 HA ASN A 56 22.946 27.378 1.744 1.00 0.27 H new ATOM 0 HB2 ASN A 56 24.858 25.044 1.251 1.00 0.35 H new ATOM 0 HB3 ASN A 56 24.607 26.391 0.158 1.00 0.35 H new ATOM 0 HD21 ASN A 56 27.110 26.333 0.914 1.00 0.90 H new ATOM 0 HD22 ASN A 56 27.462 27.461 2.228 1.00 0.90 H new ATOM 920 N GLU A 57 22.251 24.207 1.075 1.00 0.24 N ATOM 921 CA GLU A 57 21.280 23.360 0.326 1.00 0.26 C ATOM 922 C GLU A 57 19.865 23.650 0.827 1.00 0.25 C ATOM 923 O GLU A 57 18.936 23.797 0.058 1.00 0.32 O ATOM 924 CB GLU A 57 21.605 21.880 0.560 1.00 0.29 C ATOM 925 CG GLU A 57 20.674 21.001 -0.286 1.00 0.50 C ATOM 926 CD GLU A 57 19.314 20.864 0.404 1.00 1.58 C ATOM 927 OE1 GLU A 57 19.288 20.396 1.530 1.00 2.37 O ATOM 928 OE2 GLU A 57 18.323 21.230 -0.206 1.00 2.31 O ATOM 0 H GLU A 57 22.943 23.694 1.621 1.00 0.24 H new ATOM 0 HA GLU A 57 21.347 23.585 -0.739 1.00 0.26 H new ATOM 0 HB2 GLU A 57 22.644 21.681 0.298 1.00 0.29 H new ATOM 0 HB3 GLU A 57 21.490 21.636 1.616 1.00 0.29 H new ATOM 0 HG2 GLU A 57 20.546 21.439 -1.276 1.00 0.50 H new ATOM 0 HG3 GLU A 57 21.120 20.017 -0.428 1.00 0.50 H new ATOM 1388 N VAL B 8 12.942 21.118 11.482 1.00 0.33 N ATOM 1389 CA VAL B 8 12.961 21.253 12.968 1.00 0.39 C ATOM 1390 C VAL B 8 14.407 21.401 13.446 1.00 0.36 C ATOM 1391 O VAL B 8 14.739 22.318 14.170 1.00 0.48 O ATOM 1392 CB VAL B 8 12.335 20.012 13.606 1.00 0.50 C ATOM 1393 CG1 VAL B 8 12.025 20.299 15.076 1.00 0.98 C ATOM 1394 CG2 VAL B 8 11.040 19.661 12.871 1.00 1.19 C ATOM 0 HA VAL B 8 12.389 22.134 13.259 1.00 0.39 H new ATOM 0 HB VAL B 8 13.030 19.176 13.537 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.579 19.416 15.533 1.00 0.98 H new ATOM 0 HG12 VAL B 8 12.947 20.552 15.600 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.328 21.134 15.145 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.592 18.777 13.324 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.344 20.497 12.941 1.00 1.19 H new ATOM 0 HG23 VAL B 8 11.260 19.459 11.823 1.00 1.19 H new ATOM 1404 N PHE B 9 15.275 20.510 13.039 1.00 0.28 N ATOM 1405 CA PHE B 9 16.705 20.606 13.461 1.00 0.27 C ATOM 1406 C PHE B 9 17.181 22.047 13.271 1.00 0.25 C ATOM 1407 O PHE B 9 17.949 22.568 14.056 1.00 0.32 O ATOM 1408 CB PHE B 9 17.548 19.663 12.597 1.00 0.26 C ATOM 1409 CG PHE B 9 18.898 19.459 13.238 1.00 0.21 C ATOM 1410 CD1 PHE B 9 19.077 18.446 14.187 1.00 0.18 C ATOM 1411 CD2 PHE B 9 19.971 20.283 12.884 1.00 0.23 C ATOM 1412 CE1 PHE B 9 20.330 18.260 14.780 1.00 0.18 C ATOM 1413 CE2 PHE B 9 21.221 20.095 13.477 1.00 0.23 C ATOM 1414 CZ PHE B 9 21.401 19.086 14.423 1.00 0.20 C ATOM 0 H PHE B 9 15.055 19.720 12.432 1.00 0.28 H new ATOM 0 HA PHE B 9 16.808 20.323 14.509 1.00 0.27 H new ATOM 0 HB2 PHE B 9 17.040 18.705 12.484 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.668 20.080 11.597 1.00 0.26 H new ATOM 0 HD1 PHE B 9 18.249 17.809 14.461 1.00 0.18 H new ATOM 0 HD2 PHE B 9 19.833 21.065 12.152 1.00 0.23 H new ATOM 0 HE1 PHE B 9 20.471 17.479 15.513 1.00 0.18 H new ATOM 0 HE2 PHE B 9 22.049 20.732 13.203 1.00 0.23 H new ATOM 0 HZ PHE B 9 22.369 18.942 14.881 1.00 0.20 H new ATOM 1424 N LEU B 10 16.711 22.703 12.244 1.00 0.23 N ATOM 1425 CA LEU B 10 17.118 24.116 12.019 1.00 0.23 C ATOM 1426 C LEU B 10 16.388 24.995 13.032 1.00 0.24 C ATOM 1427 O LEU B 10 16.917 25.973 13.521 1.00 0.28 O ATOM 1428 CB LEU B 10 16.739 24.547 10.600 1.00 0.25 C ATOM 1429 CG LEU B 10 17.179 23.481 9.592 1.00 0.24 C ATOM 1430 CD1 LEU B 10 16.998 24.025 8.177 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.655 23.133 9.812 1.00 0.23 C ATOM 0 H LEU B 10 16.064 22.321 11.554 1.00 0.23 H new ATOM 0 HA LEU B 10 18.197 24.216 12.140 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.662 24.699 10.533 1.00 0.25 H new ATOM 0 HB3 LEU B 10 17.211 25.500 10.363 1.00 0.25 H new ATOM 0 HG LEU B 10 16.574 22.585 9.728 1.00 0.24 H new ATOM 0 HD11 LEU B 10 17.310 23.271 7.455 1.00 0.30 H new ATOM 0 HD12 LEU B 10 15.949 24.272 8.014 1.00 0.30 H new ATOM 0 HD13 LEU B 10 17.606 24.921 8.051 1.00 0.30 H new ATOM 0 HD21 LEU B 10 18.961 22.374 9.092 1.00 0.23 H new ATOM 0 HD22 LEU B 10 19.264 24.027 9.678 1.00 0.23 H new ATOM 0 HD23 LEU B 10 18.792 22.749 10.823 1.00 0.23 H new ATOM 1443 N ASP B 11 15.175 24.645 13.362 1.00 0.23 N ATOM 1444 CA ASP B 11 14.416 25.450 14.357 1.00 0.25 C ATOM 1445 C ASP B 11 15.263 25.588 15.620 1.00 0.22 C ATOM 1446 O ASP B 11 15.559 26.678 16.067 1.00 0.30 O ATOM 1447 CB ASP B 11 13.102 24.742 14.697 1.00 0.30 C ATOM 1448 CG ASP B 11 12.224 25.672 15.535 1.00 0.97 C ATOM 1449 OD1 ASP B 11 12.438 25.734 16.735 1.00 1.67 O ATOM 1450 OD2 ASP B 11 11.354 26.308 14.964 1.00 1.67 O ATOM 0 H ASP B 11 14.678 23.837 12.986 1.00 0.23 H new ATOM 0 HA ASP B 11 14.193 26.435 13.947 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.581 24.460 13.782 1.00 0.30 H new ATOM 0 HB3 ASP B 11 13.304 23.822 15.246 1.00 0.30 H new ATOM 1455 N TYR B 12 15.665 24.486 16.195 1.00 0.17 N ATOM 1456 CA TYR B 12 16.503 24.547 17.422 1.00 0.15 C ATOM 1457 C TYR B 12 17.690 25.478 17.170 1.00 0.16 C ATOM 1458 O TYR B 12 18.001 26.339 17.969 1.00 0.23 O ATOM 1459 CB TYR B 12 17.008 23.138 17.765 1.00 0.14 C ATOM 1460 CG TYR B 12 15.847 22.270 18.223 1.00 0.17 C ATOM 1461 CD1 TYR B 12 15.112 22.620 19.364 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.507 21.115 17.506 1.00 0.20 C ATOM 1463 CE1 TYR B 12 14.043 21.820 19.784 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.438 20.315 17.928 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.706 20.668 19.066 1.00 0.27 C ATOM 1466 OH TYR B 12 12.652 19.879 19.481 1.00 0.32 O ATOM 0 H TYR B 12 15.447 23.546 15.865 1.00 0.17 H new ATOM 0 HA TYR B 12 15.914 24.928 18.256 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.486 22.691 16.893 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.763 23.194 18.549 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.371 23.509 19.920 1.00 0.23 H new ATOM 0 HD2 TYR B 12 16.071 20.841 16.626 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.478 22.092 20.663 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.179 19.425 17.374 1.00 0.24 H new ATOM 0 HH TYR B 12 12.552 19.119 18.870 1.00 0.32 H new ATOM 1476 N CYS B 13 18.348 25.316 16.059 1.00 0.19 N ATOM 1477 CA CYS B 13 19.508 26.191 15.741 1.00 0.24 C ATOM 1478 C CYS B 13 19.054 27.650 15.737 1.00 0.26 C ATOM 1479 O CYS B 13 19.729 28.523 16.248 1.00 0.33 O ATOM 1480 CB CYS B 13 20.056 25.822 14.361 1.00 0.30 C ATOM 1481 SG CYS B 13 21.030 24.304 14.486 1.00 1.27 S ATOM 0 H CYS B 13 18.131 24.612 15.354 1.00 0.19 H new ATOM 0 HA CYS B 13 20.288 26.055 16.490 1.00 0.24 H new ATOM 0 HB2 CYS B 13 19.235 25.683 13.657 1.00 0.30 H new ATOM 0 HB3 CYS B 13 20.674 26.633 13.975 1.00 0.30 H new ATOM 0 HG CYS B 13 20.960 23.650 13.365 1.00 1.27 H new ATOM 1487 N GLN B 14 17.913 27.922 15.166 1.00 0.24 N ATOM 1488 CA GLN B 14 17.413 29.323 15.131 1.00 0.27 C ATOM 1489 C GLN B 14 17.488 29.913 16.538 1.00 0.24 C ATOM 1490 O GLN B 14 17.773 31.081 16.719 1.00 0.29 O ATOM 1491 CB GLN B 14 15.963 29.336 14.645 1.00 0.32 C ATOM 1492 CG GLN B 14 15.545 30.774 14.338 1.00 0.62 C ATOM 1493 CD GLN B 14 14.088 30.796 13.874 1.00 0.88 C ATOM 1494 OE1 GLN B 14 13.770 31.391 12.863 1.00 1.69 O ATOM 1495 NE2 GLN B 14 13.183 30.167 14.573 1.00 1.44 N ATOM 0 H GLN B 14 17.306 27.233 14.722 1.00 0.24 H new ATOM 0 HA GLN B 14 18.024 29.916 14.451 1.00 0.27 H new ATOM 0 HB2 GLN B 14 15.861 28.717 13.753 1.00 0.32 H new ATOM 0 HB3 GLN B 14 15.309 28.910 15.405 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.664 31.396 15.225 1.00 0.62 H new ATOM 0 HG3 GLN B 14 16.190 31.194 13.566 1.00 0.62 H new ATOM 0 HE21 GLN B 14 13.450 29.668 15.421 1.00 1.44 H new ATOM 0 HE22 GLN B 14 12.209 30.175 14.271 1.00 1.44 H new ATOM 1504 N LYS B 15 17.245 29.110 17.538 1.00 0.23 N ATOM 1505 CA LYS B 15 17.314 29.621 18.933 1.00 0.23 C ATOM 1506 C LYS B 15 18.783 29.804 19.322 1.00 0.20 C ATOM 1507 O LYS B 15 19.218 30.887 19.656 1.00 0.23 O ATOM 1508 CB LYS B 15 16.649 28.617 19.874 1.00 0.24 C ATOM 1509 CG LYS B 15 15.178 28.461 19.485 1.00 0.55 C ATOM 1510 CD LYS B 15 14.560 27.292 20.258 1.00 1.19 C ATOM 1511 CE LYS B 15 14.562 27.599 21.759 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.561 26.730 22.441 1.00 2.21 N ATOM 0 H LYS B 15 17.002 28.123 17.448 1.00 0.23 H new ATOM 0 HA LYS B 15 16.795 30.577 19.007 1.00 0.23 H new ATOM 0 HB2 LYS B 15 17.157 27.654 19.816 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.730 28.959 20.906 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.635 29.381 19.702 1.00 0.55 H new ATOM 0 HG3 LYS B 15 15.092 28.286 18.413 1.00 0.55 H new ATOM 0 HD2 LYS B 15 13.540 27.117 19.915 1.00 1.19 H new ATOM 0 HD3 LYS B 15 15.123 26.379 20.064 1.00 1.19 H new ATOM 0 HE2 LYS B 15 15.554 27.427 22.176 1.00 1.47 H new ATOM 0 HE3 LYS B 15 14.324 28.649 21.927 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 13.560 26.936 23.460 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 12.616 26.916 22.049 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 13.808 25.731 22.290 1.00 2.21 H new ATOM 1526 N LEU B 16 19.556 28.753 19.267 1.00 0.18 N ATOM 1527 CA LEU B 16 21.001 28.866 19.618 1.00 0.17 C ATOM 1528 C LEU B 16 21.600 30.071 18.878 1.00 0.18 C ATOM 1529 O LEU B 16 22.619 30.608 19.260 1.00 0.23 O ATOM 1530 CB LEU B 16 21.713 27.557 19.196 1.00 0.15 C ATOM 1531 CG LEU B 16 22.715 27.109 20.275 1.00 0.15 C ATOM 1532 CD1 LEU B 16 21.968 26.451 21.450 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.704 26.111 19.663 1.00 0.18 C ATOM 0 H LEU B 16 19.249 27.820 18.994 1.00 0.18 H new ATOM 0 HA LEU B 16 21.130 29.014 20.690 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.974 26.773 19.031 1.00 0.15 H new ATOM 0 HB3 LEU B 16 22.233 27.709 18.250 1.00 0.15 H new ATOM 0 HG LEU B 16 23.257 27.978 20.648 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.686 26.138 22.208 1.00 0.25 H new ATOM 0 HD12 LEU B 16 21.271 27.167 21.885 1.00 0.25 H new ATOM 0 HD13 LEU B 16 21.418 25.582 21.090 1.00 0.25 H new ATOM 0 HD21 LEU B 16 24.416 25.791 20.424 1.00 0.18 H new ATOM 0 HD22 LEU B 16 23.160 25.244 19.287 1.00 0.18 H new ATOM 0 HD23 LEU B 16 24.240 26.587 18.842 1.00 0.18 H new ATOM 1545 N LEU B 17 20.971 30.488 17.815 1.00 0.17 N ATOM 1546 CA LEU B 17 21.489 31.646 17.037 1.00 0.19 C ATOM 1547 C LEU B 17 21.023 32.960 17.673 1.00 0.22 C ATOM 1548 O LEU B 17 21.822 33.794 18.053 1.00 0.30 O ATOM 1549 CB LEU B 17 20.949 31.551 15.604 1.00 0.19 C ATOM 1550 CG LEU B 17 21.775 32.448 14.660 1.00 0.22 C ATOM 1551 CD1 LEU B 17 23.008 31.688 14.162 1.00 0.14 C ATOM 1552 CD2 LEU B 17 20.930 32.849 13.446 1.00 0.33 C ATOM 0 H LEU B 17 20.114 30.073 17.450 1.00 0.17 H new ATOM 0 HA LEU B 17 22.579 31.627 17.033 1.00 0.19 H new ATOM 0 HB2 LEU B 17 20.988 30.517 15.261 1.00 0.19 H new ATOM 0 HB3 LEU B 17 19.902 31.855 15.582 1.00 0.19 H new ATOM 0 HG LEU B 17 22.082 33.337 15.210 1.00 0.22 H new ATOM 0 HD11 LEU B 17 23.586 32.329 13.496 1.00 0.14 H new ATOM 0 HD12 LEU B 17 23.625 31.398 15.013 1.00 0.14 H new ATOM 0 HD13 LEU B 17 22.692 30.795 13.623 1.00 0.14 H new ATOM 0 HD21 LEU B 17 21.521 33.482 12.785 1.00 0.33 H new ATOM 0 HD22 LEU B 17 20.618 31.954 12.908 1.00 0.33 H new ATOM 0 HD23 LEU B 17 20.049 33.396 13.781 1.00 0.33 H new ATOM 1564 N GLU B 18 19.739 33.157 17.776 1.00 0.20 N ATOM 1565 CA GLU B 18 19.222 34.422 18.369 1.00 0.24 C ATOM 1566 C GLU B 18 19.697 34.554 19.821 1.00 0.22 C ATOM 1567 O GLU B 18 19.930 35.641 20.309 1.00 0.26 O ATOM 1568 CB GLU B 18 17.686 34.422 18.305 1.00 0.30 C ATOM 1569 CG GLU B 18 17.099 33.550 19.424 1.00 1.05 C ATOM 1570 CD GLU B 18 15.656 33.169 19.085 1.00 1.67 C ATOM 1571 OE1 GLU B 18 15.166 33.630 18.067 1.00 2.29 O ATOM 1572 OE2 GLU B 18 15.065 32.424 19.849 1.00 2.17 O ATOM 0 H GLU B 18 19.023 32.496 17.475 1.00 0.20 H new ATOM 0 HA GLU B 18 19.603 35.272 17.804 1.00 0.24 H new ATOM 0 HB2 GLU B 18 17.313 35.442 18.398 1.00 0.30 H new ATOM 0 HB3 GLU B 18 17.357 34.049 17.335 1.00 0.30 H new ATOM 0 HG2 GLU B 18 17.702 32.651 19.550 1.00 1.05 H new ATOM 0 HG3 GLU B 18 17.129 34.089 20.371 1.00 1.05 H new ATOM 1579 N LYS B 19 19.842 33.460 20.515 1.00 0.19 N ATOM 1580 CA LYS B 19 20.300 33.534 21.925 1.00 0.20 C ATOM 1581 C LYS B 19 21.701 34.154 21.955 1.00 0.19 C ATOM 1582 O LYS B 19 21.958 35.099 22.674 1.00 0.26 O ATOM 1583 CB LYS B 19 20.320 32.105 22.511 1.00 0.21 C ATOM 1584 CG LYS B 19 19.123 31.887 23.449 1.00 0.29 C ATOM 1585 CD LYS B 19 18.956 30.390 23.722 1.00 0.33 C ATOM 1586 CE LYS B 19 17.833 30.177 24.738 1.00 0.95 C ATOM 1587 NZ LYS B 19 18.155 30.909 25.995 1.00 1.68 N ATOM 0 H LYS B 19 19.663 32.519 20.165 1.00 0.19 H new ATOM 0 HA LYS B 19 19.630 34.152 22.522 1.00 0.20 H new ATOM 0 HB2 LYS B 19 20.293 31.374 21.703 1.00 0.21 H new ATOM 0 HB3 LYS B 19 21.250 31.943 23.056 1.00 0.21 H new ATOM 0 HG2 LYS B 19 19.278 32.423 24.385 1.00 0.29 H new ATOM 0 HG3 LYS B 19 18.216 32.289 22.998 1.00 0.29 H new ATOM 0 HD2 LYS B 19 18.726 29.864 22.795 1.00 0.33 H new ATOM 0 HD3 LYS B 19 19.888 29.973 24.102 1.00 0.33 H new ATOM 0 HE2 LYS B 19 16.887 30.532 24.330 1.00 0.95 H new ATOM 0 HE3 LYS B 19 17.712 29.114 24.945 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 17.652 30.469 26.792 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 19.180 30.868 26.168 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 17.858 31.902 25.904 1.00 1.68 H new ATOM 1601 N PHE B 20 22.601 33.634 21.172 1.00 0.15 N ATOM 1602 CA PHE B 20 23.976 34.192 21.142 1.00 0.15 C ATOM 1603 C PHE B 20 23.995 35.390 20.192 1.00 0.16 C ATOM 1604 O PHE B 20 25.032 35.943 19.886 1.00 0.25 O ATOM 1605 CB PHE B 20 24.930 33.110 20.645 1.00 0.14 C ATOM 1606 CG PHE B 20 25.147 32.091 21.741 1.00 0.13 C ATOM 1607 CD1 PHE B 20 24.146 31.153 22.014 1.00 0.14 C ATOM 1608 CD2 PHE B 20 26.339 32.081 22.484 1.00 0.14 C ATOM 1609 CE1 PHE B 20 24.329 30.204 23.023 1.00 0.14 C ATOM 1610 CE2 PHE B 20 26.519 31.129 23.495 1.00 0.15 C ATOM 1611 CZ PHE B 20 25.514 30.191 23.762 1.00 0.14 C ATOM 0 H PHE B 20 22.441 32.842 20.549 1.00 0.15 H new ATOM 0 HA PHE B 20 24.286 34.515 22.136 1.00 0.15 H new ATOM 0 HB2 PHE B 20 24.519 32.626 19.759 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.881 33.555 20.353 1.00 0.14 H new ATOM 0 HD1 PHE B 20 23.229 31.162 21.443 1.00 0.14 H new ATOM 0 HD2 PHE B 20 27.113 32.805 22.276 1.00 0.14 H new ATOM 0 HE1 PHE B 20 23.554 29.481 23.231 1.00 0.14 H new ATOM 0 HE2 PHE B 20 27.434 31.118 24.069 1.00 0.15 H new ATOM 0 HZ PHE B 20 25.656 29.456 24.541 1.00 0.14 H new ATOM 1621 N ARG B 21 22.840 35.798 19.736 1.00 0.15 N ATOM 1622 CA ARG B 21 22.760 36.969 18.813 1.00 0.17 C ATOM 1623 C ARG B 21 23.732 36.801 17.639 1.00 0.14 C ATOM 1624 O ARG B 21 24.356 37.751 17.208 1.00 0.18 O ATOM 1625 CB ARG B 21 23.119 38.242 19.583 1.00 0.23 C ATOM 1626 CG ARG B 21 22.098 38.470 20.709 1.00 0.58 C ATOM 1627 CD ARG B 21 20.714 38.845 20.128 1.00 1.16 C ATOM 1628 NE ARG B 21 20.114 39.966 20.923 1.00 1.87 N ATOM 1629 CZ ARG B 21 20.109 39.945 22.232 1.00 2.62 C ATOM 1630 NH1 ARG B 21 20.516 38.889 22.880 1.00 2.94 N ATOM 1631 NH2 ARG B 21 19.657 40.976 22.894 1.00 3.56 N ATOM 0 H ARG B 21 21.944 35.368 19.964 1.00 0.15 H new ATOM 0 HA ARG B 21 21.745 37.037 18.422 1.00 0.17 H new ATOM 0 HB2 ARG B 21 24.122 38.156 20.000 1.00 0.23 H new ATOM 0 HB3 ARG B 21 23.127 39.097 18.907 1.00 0.23 H new ATOM 0 HG2 ARG B 21 22.011 37.568 21.315 1.00 0.58 H new ATOM 0 HG3 ARG B 21 22.448 39.264 21.368 1.00 0.58 H new ATOM 0 HD2 ARG B 21 20.816 39.142 19.084 1.00 1.16 H new ATOM 0 HD3 ARG B 21 20.054 37.978 20.150 1.00 1.16 H new ATOM 0 HE ARG B 21 19.702 40.761 20.434 1.00 1.87 H new ATOM 0 HH11 ARG B 21 20.842 38.070 22.367 1.00 2.94 H new ATOM 0 HH12 ARG B 21 20.508 38.882 23.900 1.00 2.94 H new ATOM 0 HH21 ARG B 21 19.310 41.793 22.391 1.00 3.56 H new ATOM 0 HH22 ARG B 21 19.651 40.964 23.914 1.00 3.56 H new ATOM 1645 N TYR B 22 23.870 35.612 17.107 1.00 0.14 N ATOM 1646 CA TYR B 22 24.807 35.423 15.957 1.00 0.13 C ATOM 1647 C TYR B 22 24.079 35.802 14.641 1.00 0.15 C ATOM 1648 O TYR B 22 22.881 35.624 14.548 1.00 0.16 O ATOM 1649 CB TYR B 22 25.222 33.942 15.871 1.00 0.12 C ATOM 1650 CG TYR B 22 26.362 33.610 16.829 1.00 0.13 C ATOM 1651 CD1 TYR B 22 27.563 34.345 16.818 1.00 0.14 C ATOM 1652 CD2 TYR B 22 26.215 32.541 17.727 1.00 0.14 C ATOM 1653 CE1 TYR B 22 28.598 34.009 17.701 1.00 0.17 C ATOM 1654 CE2 TYR B 22 27.251 32.210 18.606 1.00 0.17 C ATOM 1655 CZ TYR B 22 28.442 32.944 18.594 1.00 0.18 C ATOM 1656 OH TYR B 22 29.463 32.616 19.462 1.00 0.21 O ATOM 0 H TYR B 22 23.380 34.772 17.415 1.00 0.14 H new ATOM 0 HA TYR B 22 25.686 36.051 16.101 1.00 0.13 H new ATOM 0 HB2 TYR B 22 24.363 33.311 16.098 1.00 0.12 H new ATOM 0 HB3 TYR B 22 25.527 33.710 14.851 1.00 0.12 H new ATOM 0 HD1 TYR B 22 27.686 35.168 16.129 1.00 0.14 H new ATOM 0 HD2 TYR B 22 25.297 31.972 17.739 1.00 0.14 H new ATOM 0 HE1 TYR B 22 29.518 34.574 17.692 1.00 0.17 H new ATOM 0 HE2 TYR B 22 27.132 31.387 19.295 1.00 0.17 H new ATOM 0 HH TYR B 22 29.300 33.036 20.332 1.00 0.21 H new ATOM 1666 N PRO B 23 24.812 36.277 13.644 1.00 0.16 N ATOM 1667 CA PRO B 23 24.208 36.625 12.340 1.00 0.18 C ATOM 1668 C PRO B 23 23.600 35.367 11.693 1.00 0.19 C ATOM 1669 O PRO B 23 23.703 34.276 12.214 1.00 0.19 O ATOM 1670 CB PRO B 23 25.376 37.177 11.488 1.00 0.19 C ATOM 1671 CG PRO B 23 26.680 36.975 12.308 1.00 0.17 C ATOM 1672 CD PRO B 23 26.270 36.519 13.725 1.00 0.15 C ATOM 0 HA PRO B 23 23.403 37.354 12.433 1.00 0.18 H new ATOM 0 HB2 PRO B 23 25.437 36.654 10.534 1.00 0.19 H new ATOM 0 HB3 PRO B 23 25.223 38.233 11.263 1.00 0.19 H new ATOM 0 HG2 PRO B 23 27.319 36.229 11.835 1.00 0.17 H new ATOM 0 HG3 PRO B 23 27.252 37.902 12.354 1.00 0.17 H new ATOM 0 HD2 PRO B 23 26.804 35.615 14.019 1.00 0.15 H new ATOM 0 HD3 PRO B 23 26.503 37.282 14.468 1.00 0.15 H new ATOM 1680 N TRP B 24 22.966 35.524 10.564 1.00 0.22 N ATOM 1681 CA TRP B 24 22.341 34.355 9.872 1.00 0.24 C ATOM 1682 C TRP B 24 23.402 33.549 9.109 1.00 0.25 C ATOM 1683 O TRP B 24 23.151 32.443 8.671 1.00 0.34 O ATOM 1684 CB TRP B 24 21.282 34.865 8.888 1.00 0.28 C ATOM 1685 CG TRP B 24 20.754 33.726 8.073 1.00 0.53 C ATOM 1686 CD1 TRP B 24 21.069 33.488 6.778 1.00 1.45 C ATOM 1687 CD2 TRP B 24 19.833 32.670 8.471 1.00 0.35 C ATOM 1688 NE1 TRP B 24 20.398 32.354 6.357 1.00 1.68 N ATOM 1689 CE2 TRP B 24 19.624 31.813 7.364 1.00 0.93 C ATOM 1690 CE3 TRP B 24 19.165 32.374 9.673 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 18.782 30.704 7.446 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.317 31.258 9.759 1.00 1.15 C ATOM 1693 CH2 TRP B 24 18.126 30.424 8.648 1.00 0.63 C ATOM 0 H TRP B 24 22.852 36.418 10.085 1.00 0.22 H new ATOM 0 HA TRP B 24 21.880 33.706 10.617 1.00 0.24 H new ATOM 0 HB2 TRP B 24 20.467 35.343 9.432 1.00 0.28 H new ATOM 0 HB3 TRP B 24 21.715 35.622 8.234 1.00 0.28 H new ATOM 0 HD1 TRP B 24 21.735 34.085 6.173 1.00 1.45 H new ATOM 0 HE1 TRP B 24 20.467 31.965 5.417 1.00 1.68 H new ATOM 0 HE3 TRP B 24 19.305 33.009 10.535 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 18.638 30.066 6.587 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 17.809 31.041 10.687 1.00 1.15 H new ATOM 0 HH2 TRP B 24 17.473 29.567 8.721 1.00 0.63 H new ATOM 1704 N GLU B 25 24.570 34.094 8.920 1.00 0.21 N ATOM 1705 CA GLU B 25 25.621 33.357 8.157 1.00 0.24 C ATOM 1706 C GLU B 25 26.252 32.249 9.011 1.00 0.21 C ATOM 1707 O GLU B 25 26.938 31.386 8.499 1.00 0.24 O ATOM 1708 CB GLU B 25 26.711 34.341 7.727 1.00 0.31 C ATOM 1709 CG GLU B 25 27.814 33.591 6.976 1.00 1.20 C ATOM 1710 CD GLU B 25 28.703 34.594 6.238 1.00 1.43 C ATOM 1711 OE1 GLU B 25 28.695 35.754 6.617 1.00 1.86 O ATOM 1712 OE2 GLU B 25 29.377 34.186 5.307 1.00 1.99 O ATOM 0 H GLU B 25 24.845 35.016 9.259 1.00 0.21 H new ATOM 0 HA GLU B 25 25.156 32.897 7.285 1.00 0.24 H new ATOM 0 HB2 GLU B 25 26.285 35.115 7.089 1.00 0.31 H new ATOM 0 HB3 GLU B 25 27.128 34.842 8.601 1.00 0.31 H new ATOM 0 HG2 GLU B 25 28.411 33.006 7.675 1.00 1.20 H new ATOM 0 HG3 GLU B 25 27.374 32.889 6.268 1.00 1.20 H new ATOM 1719 N LEU B 26 26.050 32.265 10.304 1.00 0.16 N ATOM 1720 CA LEU B 26 26.669 31.210 11.175 1.00 0.15 C ATOM 1721 C LEU B 26 25.681 30.077 11.450 1.00 0.15 C ATOM 1722 O LEU B 26 25.748 29.429 12.476 1.00 0.19 O ATOM 1723 CB LEU B 26 27.092 31.830 12.506 1.00 0.13 C ATOM 1724 CG LEU B 26 27.837 33.143 12.260 1.00 0.13 C ATOM 1725 CD1 LEU B 26 28.482 33.597 13.568 1.00 0.14 C ATOM 1726 CD2 LEU B 26 28.924 32.944 11.195 1.00 0.14 C ATOM 0 H LEU B 26 25.486 32.958 10.796 1.00 0.16 H new ATOM 0 HA LEU B 26 27.535 30.803 10.653 1.00 0.15 H new ATOM 0 HB2 LEU B 26 26.215 32.011 13.127 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.731 31.137 13.052 1.00 0.13 H new ATOM 0 HG LEU B 26 27.134 33.898 11.907 1.00 0.13 H new ATOM 0 HD11 LEU B 26 29.016 34.533 13.405 1.00 0.14 H new ATOM 0 HD12 LEU B 26 27.709 33.747 14.322 1.00 0.14 H new ATOM 0 HD13 LEU B 26 29.181 32.835 13.912 1.00 0.14 H new ATOM 0 HD21 LEU B 26 29.447 33.886 11.029 1.00 0.14 H new ATOM 0 HD22 LEU B 26 29.633 32.190 11.536 1.00 0.14 H new ATOM 0 HD23 LEU B 26 28.464 32.615 10.263 1.00 0.14 H new ATOM 1738 N MET B 27 24.770 29.819 10.556 1.00 0.15 N ATOM 1739 CA MET B 27 23.807 28.717 10.801 1.00 0.17 C ATOM 1740 C MET B 27 24.514 27.335 10.710 1.00 0.14 C ATOM 1741 O MET B 27 24.191 26.458 11.487 1.00 0.19 O ATOM 1742 CB MET B 27 22.638 28.810 9.794 1.00 0.20 C ATOM 1743 CG MET B 27 21.527 29.702 10.362 1.00 0.39 C ATOM 1744 SD MET B 27 20.666 28.821 11.685 1.00 1.31 S ATOM 1745 CE MET B 27 19.479 27.949 10.636 1.00 0.45 C ATOM 0 H MET B 27 24.652 30.319 9.675 1.00 0.15 H new ATOM 0 HA MET B 27 23.407 28.816 11.810 1.00 0.17 H new ATOM 0 HB2 MET B 27 22.994 29.216 8.847 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.246 27.814 9.586 1.00 0.20 H new ATOM 0 HG2 MET B 27 21.951 30.630 10.744 1.00 0.39 H new ATOM 0 HG3 MET B 27 20.825 29.973 9.574 1.00 0.39 H new ATOM 0 HE1 MET B 27 18.498 28.416 10.730 1.00 0.45 H new ATOM 0 HE2 MET B 27 19.806 27.999 9.597 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.416 26.906 10.947 1.00 0.45 H new ATOM 1755 N PRO B 28 25.450 27.151 9.783 1.00 0.09 N ATOM 1756 CA PRO B 28 26.156 25.852 9.646 1.00 0.09 C ATOM 1757 C PRO B 28 26.884 25.466 10.945 1.00 0.09 C ATOM 1758 O PRO B 28 27.111 24.303 11.211 1.00 0.14 O ATOM 1759 CB PRO B 28 27.154 26.070 8.485 1.00 0.10 C ATOM 1760 CG PRO B 28 26.748 27.396 7.794 1.00 0.12 C ATOM 1761 CD PRO B 28 25.883 28.174 8.801 1.00 0.12 C ATOM 0 HA PRO B 28 25.466 25.032 9.447 1.00 0.09 H new ATOM 0 HB2 PRO B 28 28.177 26.125 8.859 1.00 0.10 H new ATOM 0 HB3 PRO B 28 27.116 25.239 7.781 1.00 0.10 H new ATOM 0 HG2 PRO B 28 27.630 27.973 7.515 1.00 0.12 H new ATOM 0 HG3 PRO B 28 26.192 27.200 6.877 1.00 0.12 H new ATOM 0 HD2 PRO B 28 26.452 28.970 9.281 1.00 0.12 H new ATOM 0 HD3 PRO B 28 25.029 28.642 8.312 1.00 0.12 H new ATOM 1769 N LEU B 29 27.259 26.417 11.755 1.00 0.10 N ATOM 1770 CA LEU B 29 27.966 26.064 13.020 1.00 0.09 C ATOM 1771 C LEU B 29 26.936 25.632 14.062 1.00 0.10 C ATOM 1772 O LEU B 29 27.058 24.585 14.667 1.00 0.16 O ATOM 1773 CB LEU B 29 28.758 27.271 13.522 1.00 0.08 C ATOM 1774 CG LEU B 29 29.568 27.859 12.361 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.414 29.030 12.869 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.485 26.775 11.772 1.00 0.09 C ATOM 0 H LEU B 29 27.109 27.414 11.599 1.00 0.10 H new ATOM 0 HA LEU B 29 28.661 25.244 12.841 1.00 0.09 H new ATOM 0 HB2 LEU B 29 28.081 28.023 13.927 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.424 26.973 14.332 1.00 0.08 H new ATOM 0 HG LEU B 29 28.888 28.214 11.587 1.00 0.09 H new ATOM 0 HD11 LEU B 29 30.990 29.448 12.043 1.00 0.12 H new ATOM 0 HD12 LEU B 29 29.761 29.799 13.282 1.00 0.12 H new ATOM 0 HD13 LEU B 29 31.094 28.678 13.644 1.00 0.12 H new ATOM 0 HD21 LEU B 29 31.060 27.194 10.947 1.00 0.09 H new ATOM 0 HD22 LEU B 29 31.166 26.416 12.544 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.880 25.945 11.408 1.00 0.09 H new ATOM 1788 N MET B 30 25.906 26.407 14.260 1.00 0.10 N ATOM 1789 CA MET B 30 24.867 26.004 15.241 1.00 0.12 C ATOM 1790 C MET B 30 24.335 24.635 14.818 1.00 0.10 C ATOM 1791 O MET B 30 23.815 23.877 15.613 1.00 0.13 O ATOM 1792 CB MET B 30 23.722 27.018 15.224 1.00 0.16 C ATOM 1793 CG MET B 30 24.253 28.435 15.460 1.00 0.19 C ATOM 1794 SD MET B 30 24.500 28.705 17.236 1.00 1.23 S ATOM 1795 CE MET B 30 26.303 28.859 17.225 1.00 0.22 C ATOM 0 H MET B 30 25.741 27.296 13.787 1.00 0.10 H new ATOM 0 HA MET B 30 25.287 25.963 16.246 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.203 26.973 14.266 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.993 26.764 15.993 1.00 0.16 H new ATOM 0 HG2 MET B 30 25.193 28.575 14.927 1.00 0.19 H new ATOM 0 HG3 MET B 30 23.550 29.168 15.065 1.00 0.19 H new ATOM 0 HE1 MET B 30 26.681 28.782 18.245 1.00 0.22 H new ATOM 0 HE2 MET B 30 26.733 28.062 16.618 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.583 29.825 16.806 1.00 0.22 H new ATOM 1805 N TYR B 31 24.468 24.323 13.555 1.00 0.08 N ATOM 1806 CA TYR B 31 23.984 23.013 13.037 1.00 0.08 C ATOM 1807 C TYR B 31 24.883 21.894 13.562 1.00 0.08 C ATOM 1808 O TYR B 31 24.418 20.922 14.124 1.00 0.09 O ATOM 1809 CB TYR B 31 24.025 23.038 11.505 1.00 0.09 C ATOM 1810 CG TYR B 31 23.713 21.668 10.951 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.387 21.301 10.694 1.00 0.10 C ATOM 1812 CD2 TYR B 31 24.752 20.768 10.687 1.00 0.10 C ATOM 1813 CE1 TYR B 31 22.099 20.033 10.175 1.00 0.11 C ATOM 1814 CE2 TYR B 31 24.465 19.501 10.167 1.00 0.11 C ATOM 1815 CZ TYR B 31 23.139 19.133 9.912 1.00 0.11 C ATOM 1816 OH TYR B 31 22.856 17.883 9.400 1.00 0.13 O ATOM 0 H TYR B 31 24.896 24.928 12.854 1.00 0.08 H new ATOM 0 HA TYR B 31 22.962 22.835 13.372 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.305 23.764 11.127 1.00 0.09 H new ATOM 0 HB3 TYR B 31 25.010 23.360 11.166 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.586 21.996 10.896 1.00 0.10 H new ATOM 0 HD2 TYR B 31 25.775 21.051 10.885 1.00 0.10 H new ATOM 0 HE1 TYR B 31 21.076 19.749 9.978 1.00 0.11 H new ATOM 0 HE2 TYR B 31 25.267 18.807 9.962 1.00 0.11 H new ATOM 0 HH TYR B 31 23.690 17.384 9.275 1.00 0.13 H new ATOM 1826 N VAL B 32 26.169 22.021 13.384 1.00 0.08 N ATOM 1827 CA VAL B 32 27.094 20.963 13.873 1.00 0.08 C ATOM 1828 C VAL B 32 27.011 20.879 15.398 1.00 0.08 C ATOM 1829 O VAL B 32 26.857 19.816 15.963 1.00 0.10 O ATOM 1830 CB VAL B 32 28.525 21.301 13.452 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.481 20.249 14.017 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.615 21.313 11.919 1.00 0.08 C ATOM 0 H VAL B 32 26.618 22.811 12.921 1.00 0.08 H new ATOM 0 HA VAL B 32 26.810 20.003 13.443 1.00 0.08 H new ATOM 0 HB VAL B 32 28.800 22.283 13.837 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.502 20.487 13.718 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.413 20.243 15.105 1.00 0.08 H new ATOM 0 HG13 VAL B 32 29.210 19.266 13.631 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.634 21.554 11.616 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.343 20.331 11.531 1.00 0.08 H new ATOM 0 HG23 VAL B 32 27.931 22.063 11.520 1.00 0.08 H new ATOM 1842 N ILE B 33 27.106 21.989 16.076 1.00 0.08 N ATOM 1843 CA ILE B 33 27.022 21.960 17.561 1.00 0.08 C ATOM 1844 C ILE B 33 25.800 21.114 17.977 1.00 0.09 C ATOM 1845 O ILE B 33 25.943 20.079 18.596 1.00 0.10 O ATOM 1846 CB ILE B 33 26.940 23.414 18.063 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.280 24.094 17.744 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.700 23.466 19.576 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.245 25.589 18.092 1.00 0.08 C ATOM 0 H ILE B 33 27.238 22.913 15.666 1.00 0.08 H new ATOM 0 HA ILE B 33 27.901 21.497 18.010 1.00 0.08 H new ATOM 0 HB ILE B 33 26.108 23.920 17.572 1.00 0.08 H new ATOM 0 HG12 ILE B 33 29.079 23.607 18.303 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.510 23.970 16.686 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.647 24.505 19.900 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.762 22.963 19.813 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.520 22.966 20.092 1.00 0.09 H new ATOM 0 HD11 ILE B 33 29.208 26.041 17.854 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.462 26.079 17.513 1.00 0.08 H new ATOM 0 HD13 ILE B 33 28.040 25.710 19.156 1.00 0.08 H new ATOM 1861 N LEU B 34 24.607 21.516 17.624 1.00 0.08 N ATOM 1862 CA LEU B 34 23.407 20.697 17.990 1.00 0.09 C ATOM 1863 C LEU B 34 23.621 19.249 17.503 1.00 0.12 C ATOM 1864 O LEU B 34 23.212 18.308 18.151 1.00 0.16 O ATOM 1865 CB LEU B 34 22.155 21.316 17.303 1.00 0.10 C ATOM 1866 CG LEU B 34 21.238 22.164 18.261 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.970 22.692 19.511 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.677 23.360 17.479 1.00 0.11 C ATOM 0 H LEU B 34 24.409 22.370 17.102 1.00 0.08 H new ATOM 0 HA LEU B 34 23.261 20.691 19.070 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.484 21.950 16.480 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.560 20.513 16.868 1.00 0.10 H new ATOM 0 HG LEU B 34 20.449 21.499 18.612 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.275 23.267 20.124 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.355 21.852 20.089 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.798 23.331 19.205 1.00 0.10 H new ATOM 0 HD21 LEU B 34 20.040 23.955 18.133 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.500 23.975 17.116 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.093 22.999 16.633 1.00 0.11 H new ATOM 1880 N LYS B 35 24.248 19.058 16.374 1.00 0.13 N ATOM 1881 CA LYS B 35 24.464 17.665 15.874 1.00 0.17 C ATOM 1882 C LYS B 35 25.333 16.890 16.866 1.00 0.19 C ATOM 1883 O LYS B 35 25.169 15.700 17.050 1.00 0.28 O ATOM 1884 CB LYS B 35 25.156 17.709 14.499 1.00 0.16 C ATOM 1885 CG LYS B 35 25.147 16.303 13.825 1.00 0.19 C ATOM 1886 CD LYS B 35 26.562 15.694 13.812 1.00 0.26 C ATOM 1887 CE LYS B 35 27.385 16.305 12.671 1.00 0.70 C ATOM 1888 NZ LYS B 35 26.693 16.067 11.372 1.00 1.58 N ATOM 0 H LYS B 35 24.618 19.798 15.778 1.00 0.13 H new ATOM 0 HA LYS B 35 23.501 17.165 15.775 1.00 0.17 H new ATOM 0 HB2 LYS B 35 24.649 18.428 13.855 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.183 18.054 14.616 1.00 0.16 H new ATOM 0 HG2 LYS B 35 24.466 15.642 14.362 1.00 0.19 H new ATOM 0 HG3 LYS B 35 24.772 16.386 12.805 1.00 0.19 H new ATOM 0 HD2 LYS B 35 27.055 15.878 14.766 1.00 0.26 H new ATOM 0 HD3 LYS B 35 26.500 14.613 13.689 1.00 0.26 H new ATOM 0 HE2 LYS B 35 27.514 17.375 12.835 1.00 0.70 H new ATOM 0 HE3 LYS B 35 28.381 15.863 12.650 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 27.394 15.812 10.647 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 26.008 15.292 11.480 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 26.194 16.932 11.081 1.00 1.58 H new ATOM 1902 N ASP B 36 26.257 17.551 17.509 1.00 0.23 N ATOM 1903 CA ASP B 36 27.133 16.847 18.490 1.00 0.28 C ATOM 1904 C ASP B 36 26.463 16.833 19.867 1.00 0.26 C ATOM 1905 O ASP B 36 26.603 15.895 20.626 1.00 0.39 O ATOM 1906 CB ASP B 36 28.473 17.575 18.585 1.00 0.34 C ATOM 1907 CG ASP B 36 29.187 17.507 17.234 1.00 1.23 C ATOM 1908 OD1 ASP B 36 29.807 16.491 16.964 1.00 1.92 O ATOM 1909 OD2 ASP B 36 29.101 18.471 16.492 1.00 1.96 O ATOM 0 H ASP B 36 26.443 18.548 17.398 1.00 0.23 H new ATOM 0 HA ASP B 36 27.294 15.821 18.158 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.315 18.614 18.873 1.00 0.34 H new ATOM 0 HB3 ASP B 36 29.092 17.121 19.359 1.00 0.34 H new ATOM 1914 N ALA B 37 25.747 17.873 20.200 1.00 0.21 N ATOM 1915 CA ALA B 37 25.081 17.930 21.534 1.00 0.21 C ATOM 1916 C ALA B 37 23.732 17.217 21.487 1.00 0.20 C ATOM 1917 O ALA B 37 22.787 17.632 22.127 1.00 0.24 O ATOM 1918 CB ALA B 37 24.848 19.390 21.909 1.00 0.22 C ATOM 0 H ALA B 37 25.594 18.687 19.605 1.00 0.21 H new ATOM 0 HA ALA B 37 25.720 17.441 22.269 1.00 0.21 H new ATOM 0 HB1 ALA B 37 24.361 19.442 22.883 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.804 19.912 21.953 1.00 0.22 H new ATOM 0 HB3 ALA B 37 24.212 19.861 21.160 1.00 0.22 H new ATOM 1924 N ASP B 38 23.617 16.161 20.740 1.00 0.20 N ATOM 1925 CA ASP B 38 22.307 15.462 20.678 1.00 0.21 C ATOM 1926 C ASP B 38 21.230 16.486 20.305 1.00 0.18 C ATOM 1927 O ASP B 38 20.046 16.245 20.432 1.00 0.21 O ATOM 1928 CB ASP B 38 22.000 14.850 22.053 1.00 0.28 C ATOM 1929 CG ASP B 38 21.016 13.686 21.899 1.00 1.00 C ATOM 1930 OD1 ASP B 38 21.425 12.653 21.396 1.00 1.59 O ATOM 1931 OD2 ASP B 38 19.871 13.849 22.288 1.00 1.86 O ATOM 0 H ASP B 38 24.362 15.754 20.175 1.00 0.20 H new ATOM 0 HA ASP B 38 22.330 14.667 19.933 1.00 0.21 H new ATOM 0 HB2 ASP B 38 22.921 14.499 22.518 1.00 0.28 H new ATOM 0 HB3 ASP B 38 21.579 15.609 22.712 1.00 0.28 H new ATOM 1936 N ALA B 39 21.655 17.632 19.854 1.00 0.14 N ATOM 1937 CA ALA B 39 20.709 18.710 19.467 1.00 0.14 C ATOM 1938 C ALA B 39 20.002 19.255 20.710 1.00 0.15 C ATOM 1939 O ALA B 39 19.029 19.976 20.615 1.00 0.18 O ATOM 1940 CB ALA B 39 19.681 18.173 18.470 1.00 0.16 C ATOM 0 H ALA B 39 22.640 17.870 19.736 1.00 0.14 H new ATOM 0 HA ALA B 39 21.267 19.519 18.995 1.00 0.14 H new ATOM 0 HB1 ALA B 39 18.992 18.971 18.192 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.193 17.810 17.579 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.124 17.355 18.927 1.00 0.16 H new ATOM 1946 N ASN B 40 20.487 18.925 21.877 1.00 0.15 N ATOM 1947 CA ASN B 40 19.845 19.438 23.120 1.00 0.18 C ATOM 1948 C ASN B 40 20.369 20.848 23.395 1.00 0.15 C ATOM 1949 O ASN B 40 21.439 21.027 23.942 1.00 0.15 O ATOM 1950 CB ASN B 40 20.193 18.514 24.294 1.00 0.23 C ATOM 1951 CG ASN B 40 19.182 18.708 25.428 1.00 0.91 C ATOM 1952 OD1 ASN B 40 18.375 19.734 25.399 1.00 1.90 O flip ATOM 1953 ND2 ASN B 40 19.126 17.918 26.349 1.00 1.32 N flip ATOM 0 H ASN B 40 21.298 18.324 22.022 1.00 0.15 H new ATOM 0 HA ASN B 40 18.762 19.465 23.000 1.00 0.18 H new ATOM 0 HB2 ASN B 40 20.188 17.475 23.964 1.00 0.23 H new ATOM 0 HB3 ASN B 40 21.200 18.730 24.652 1.00 0.23 H new ATOM 0 HD21 ASN B 40 19.756 17.116 26.372 1.00 1.32 H new ATOM 0 HD22 ASN B 40 18.449 18.056 27.099 1.00 1.32 H new ATOM 1960 N ILE B 41 19.631 21.848 23.007 1.00 0.15 N ATOM 1961 CA ILE B 41 20.094 23.244 23.231 1.00 0.15 C ATOM 1962 C ILE B 41 20.587 23.410 24.672 1.00 0.15 C ATOM 1963 O ILE B 41 21.643 23.962 24.911 1.00 0.14 O ATOM 1964 CB ILE B 41 18.941 24.213 22.930 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.760 24.276 21.402 1.00 0.21 C ATOM 1966 CG2 ILE B 41 19.260 25.614 23.501 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.552 25.142 21.043 1.00 0.24 C ATOM 0 H ILE B 41 18.726 21.759 22.544 1.00 0.15 H new ATOM 0 HA ILE B 41 20.926 23.468 22.563 1.00 0.15 H new ATOM 0 HB ILE B 41 18.020 23.866 23.398 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.659 24.685 20.940 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.626 23.270 21.004 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.436 26.293 23.282 1.00 0.21 H new ATOM 0 HG22 ILE B 41 19.396 25.545 24.580 1.00 0.21 H new ATOM 0 HG23 ILE B 41 20.174 25.994 23.044 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.438 25.176 19.960 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.653 24.716 21.489 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.702 26.152 21.424 1.00 0.24 H new ATOM 1979 N GLU B 42 19.845 22.940 25.632 1.00 0.17 N ATOM 1980 CA GLU B 42 20.294 23.080 27.042 1.00 0.17 C ATOM 1981 C GLU B 42 21.716 22.539 27.171 1.00 0.16 C ATOM 1982 O GLU B 42 22.483 22.984 27.995 1.00 0.18 O ATOM 1983 CB GLU B 42 19.355 22.300 27.964 1.00 0.20 C ATOM 1984 CG GLU B 42 17.951 22.904 27.889 1.00 0.30 C ATOM 1985 CD GLU B 42 16.982 22.052 28.710 1.00 1.03 C ATOM 1986 OE1 GLU B 42 16.923 22.251 29.913 1.00 1.78 O ATOM 1987 OE2 GLU B 42 16.316 21.216 28.123 1.00 1.65 O ATOM 0 H GLU B 42 18.951 22.467 25.503 1.00 0.17 H new ATOM 0 HA GLU B 42 20.277 24.131 27.329 1.00 0.17 H new ATOM 0 HB2 GLU B 42 19.328 21.251 27.670 1.00 0.20 H new ATOM 0 HB3 GLU B 42 19.723 22.334 28.989 1.00 0.20 H new ATOM 0 HG2 GLU B 42 17.963 23.926 28.268 1.00 0.30 H new ATOM 0 HG3 GLU B 42 17.620 22.952 26.852 1.00 0.30 H new ATOM 1994 N GLU B 43 22.079 21.587 26.357 1.00 0.16 N ATOM 1995 CA GLU B 43 23.464 21.037 26.427 1.00 0.16 C ATOM 1996 C GLU B 43 24.372 21.863 25.514 1.00 0.14 C ATOM 1997 O GLU B 43 25.421 22.323 25.915 1.00 0.20 O ATOM 1998 CB GLU B 43 23.468 19.580 25.963 1.00 0.18 C ATOM 1999 CG GLU B 43 24.799 18.923 26.344 1.00 0.30 C ATOM 2000 CD GLU B 43 24.798 18.591 27.838 1.00 1.21 C ATOM 2001 OE1 GLU B 43 24.069 17.691 28.224 1.00 1.89 O ATOM 2002 OE2 GLU B 43 25.525 19.242 28.570 1.00 1.96 O ATOM 0 H GLU B 43 21.479 21.166 25.648 1.00 0.16 H new ATOM 0 HA GLU B 43 23.824 21.085 27.455 1.00 0.16 H new ATOM 0 HB2 GLU B 43 22.640 19.040 26.421 1.00 0.18 H new ATOM 0 HB3 GLU B 43 23.322 19.531 24.884 1.00 0.18 H new ATOM 0 HG2 GLU B 43 24.949 18.015 25.759 1.00 0.30 H new ATOM 0 HG3 GLU B 43 25.627 19.593 26.110 1.00 0.30 H new ATOM 2009 N ALA B 44 23.977 22.046 24.282 1.00 0.12 N ATOM 2010 CA ALA B 44 24.820 22.832 23.331 1.00 0.12 C ATOM 2011 C ALA B 44 25.061 24.247 23.870 1.00 0.12 C ATOM 2012 O ALA B 44 26.170 24.743 23.848 1.00 0.14 O ATOM 2013 CB ALA B 44 24.121 22.911 21.965 1.00 0.13 C ATOM 0 H ALA B 44 23.106 21.685 23.892 1.00 0.12 H new ATOM 0 HA ALA B 44 25.782 22.332 23.221 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.738 23.485 21.273 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.975 21.905 21.572 1.00 0.13 H new ATOM 0 HB3 ALA B 44 23.153 23.400 22.079 1.00 0.13 H new ATOM 2019 N SER B 45 24.041 24.910 24.340 1.00 0.12 N ATOM 2020 CA SER B 45 24.244 26.294 24.857 1.00 0.16 C ATOM 2021 C SER B 45 25.273 26.268 25.985 1.00 0.15 C ATOM 2022 O SER B 45 25.987 27.224 26.212 1.00 0.16 O ATOM 2023 CB SER B 45 22.920 26.845 25.387 1.00 0.19 C ATOM 2024 OG SER B 45 23.185 27.807 26.399 1.00 0.82 O ATOM 0 H SER B 45 23.085 24.559 24.389 1.00 0.12 H new ATOM 0 HA SER B 45 24.603 26.933 24.050 1.00 0.16 H new ATOM 0 HB2 SER B 45 22.351 27.300 24.576 1.00 0.19 H new ATOM 0 HB3 SER B 45 22.310 26.036 25.789 1.00 0.19 H new ATOM 0 HG SER B 45 22.339 28.164 26.741 1.00 0.82 H new ATOM 2030 N ARG B 46 25.355 25.178 26.691 1.00 0.17 N ATOM 2031 CA ARG B 46 26.336 25.081 27.806 1.00 0.20 C ATOM 2032 C ARG B 46 27.737 24.891 27.207 1.00 0.17 C ATOM 2033 O ARG B 46 28.736 25.165 27.841 1.00 0.23 O ATOM 2034 CB ARG B 46 25.968 23.881 28.703 1.00 0.24 C ATOM 2035 CG ARG B 46 25.037 24.315 29.852 1.00 0.84 C ATOM 2036 CD ARG B 46 23.863 25.154 29.315 1.00 1.21 C ATOM 2037 NE ARG B 46 24.224 26.606 29.370 1.00 1.63 N ATOM 2038 CZ ARG B 46 24.479 27.209 30.500 1.00 2.08 C ATOM 2039 NH1 ARG B 46 24.335 26.574 31.632 1.00 2.50 N ATOM 2040 NH2 ARG B 46 24.860 28.457 30.500 1.00 2.80 N ATOM 0 H ARG B 46 24.783 24.346 26.544 1.00 0.17 H new ATOM 0 HA ARG B 46 26.320 25.988 28.411 1.00 0.20 H new ATOM 0 HB2 ARG B 46 25.479 23.112 28.105 1.00 0.24 H new ATOM 0 HB3 ARG B 46 26.875 23.437 29.113 1.00 0.24 H new ATOM 0 HG2 ARG B 46 24.655 23.435 30.369 1.00 0.84 H new ATOM 0 HG3 ARG B 46 25.600 24.895 30.583 1.00 0.84 H new ATOM 0 HD2 ARG B 46 23.633 24.864 28.290 1.00 1.21 H new ATOM 0 HD3 ARG B 46 22.967 24.968 29.908 1.00 1.21 H new ATOM 0 HE ARG B 46 24.272 27.139 28.501 1.00 1.63 H new ATOM 0 HH11 ARG B 46 24.022 25.603 31.636 1.00 2.50 H new ATOM 0 HH12 ARG B 46 24.535 27.049 32.512 1.00 2.50 H new ATOM 0 HH21 ARG B 46 24.958 28.960 29.618 1.00 2.80 H new ATOM 0 HH22 ARG B 46 25.060 28.929 31.382 1.00 2.80 H new ATOM 2054 N ARG B 47 27.814 24.430 25.984 1.00 0.13 N ATOM 2055 CA ARG B 47 29.147 24.233 25.345 1.00 0.12 C ATOM 2056 C ARG B 47 29.655 25.571 24.813 1.00 0.11 C ATOM 2057 O ARG B 47 30.713 26.040 25.183 1.00 0.12 O ATOM 2058 CB ARG B 47 29.029 23.256 24.174 1.00 0.15 C ATOM 2059 CG ARG B 47 28.525 21.898 24.669 1.00 0.32 C ATOM 2060 CD ARG B 47 28.811 20.829 23.612 1.00 0.54 C ATOM 2061 NE ARG B 47 28.006 21.111 22.393 1.00 0.95 N ATOM 2062 CZ ARG B 47 28.290 20.507 21.276 1.00 1.20 C ATOM 2063 NH1 ARG B 47 29.283 19.670 21.226 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.580 20.737 20.211 1.00 1.62 N ATOM 0 H ARG B 47 27.013 24.183 25.403 1.00 0.13 H new ATOM 0 HA ARG B 47 29.838 23.833 26.087 1.00 0.12 H new ATOM 0 HB2 ARG B 47 28.345 23.655 23.425 1.00 0.15 H new ATOM 0 HB3 ARG B 47 29.998 23.138 23.690 1.00 0.15 H new ATOM 0 HG2 ARG B 47 29.015 21.637 25.607 1.00 0.32 H new ATOM 0 HG3 ARG B 47 27.455 21.947 24.871 1.00 0.32 H new ATOM 0 HD2 ARG B 47 29.873 20.820 23.366 1.00 0.54 H new ATOM 0 HD3 ARG B 47 28.566 19.841 24.002 1.00 0.54 H new ATOM 0 HE ARG B 47 27.234 21.776 22.433 1.00 0.95 H new ATOM 0 HH11 ARG B 47 29.839 19.487 22.062 1.00 1.81 H new ATOM 0 HH12 ARG B 47 29.507 19.196 20.351 1.00 1.81 H new ATOM 0 HH21 ARG B 47 26.799 21.392 20.250 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.804 20.263 19.336 1.00 1.62 H new ATOM 2078 N ILE B 48 28.902 26.188 23.944 1.00 0.10 N ATOM 2079 CA ILE B 48 29.329 27.501 23.378 1.00 0.09 C ATOM 2080 C ILE B 48 29.798 28.407 24.515 1.00 0.10 C ATOM 2081 O ILE B 48 30.916 28.884 24.521 1.00 0.10 O ATOM 2082 CB ILE B 48 28.161 28.156 22.646 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.576 27.165 21.630 1.00 0.10 C ATOM 2084 CG2 ILE B 48 28.676 29.396 21.916 1.00 0.10 C ATOM 2085 CD1 ILE B 48 26.326 27.752 20.967 1.00 0.10 C ATOM 0 H ILE B 48 28.007 25.839 23.600 1.00 0.10 H new ATOM 0 HA ILE B 48 30.145 27.345 22.672 1.00 0.09 H new ATOM 0 HB ILE B 48 27.384 28.440 23.356 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.322 26.931 20.870 1.00 0.10 H new ATOM 0 HG13 ILE B 48 27.325 26.229 22.129 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.852 29.876 21.388 1.00 0.10 H new ATOM 0 HG22 ILE B 48 29.099 30.094 22.638 1.00 0.10 H new ATOM 0 HG23 ILE B 48 29.445 29.104 21.201 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.924 27.036 20.250 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.575 27.963 21.729 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.588 28.675 20.450 1.00 0.10 H new ATOM 2097 N GLU B 49 28.959 28.630 25.489 1.00 0.10 N ATOM 2098 CA GLU B 49 29.367 29.487 26.641 1.00 0.11 C ATOM 2099 C GLU B 49 30.709 28.992 27.155 1.00 0.11 C ATOM 2100 O GLU B 49 31.697 29.699 27.138 1.00 0.12 O ATOM 2101 CB GLU B 49 28.349 29.354 27.767 1.00 0.13 C ATOM 2102 CG GLU B 49 27.048 30.076 27.396 1.00 0.14 C ATOM 2103 CD GLU B 49 26.197 30.292 28.650 1.00 0.16 C ATOM 2104 OE1 GLU B 49 26.696 30.044 29.736 1.00 1.10 O ATOM 2105 OE2 GLU B 49 25.057 30.703 28.503 1.00 1.07 O ATOM 0 H GLU B 49 28.011 28.258 25.538 1.00 0.10 H new ATOM 0 HA GLU B 49 29.429 30.527 26.319 1.00 0.11 H new ATOM 0 HB2 GLU B 49 28.146 28.301 27.960 1.00 0.13 H new ATOM 0 HB3 GLU B 49 28.757 29.774 28.687 1.00 0.13 H new ATOM 0 HG2 GLU B 49 27.274 31.035 26.930 1.00 0.14 H new ATOM 0 HG3 GLU B 49 26.492 29.489 26.665 1.00 0.14 H new ATOM 2112 N GLU B 50 30.757 27.759 27.587 1.00 0.12 N ATOM 2113 CA GLU B 50 32.042 27.194 28.072 1.00 0.12 C ATOM 2114 C GLU B 50 33.085 27.475 27.003 1.00 0.11 C ATOM 2115 O GLU B 50 34.264 27.502 27.256 1.00 0.11 O ATOM 2116 CB GLU B 50 31.903 25.684 28.286 1.00 0.14 C ATOM 2117 CG GLU B 50 33.134 25.158 29.028 1.00 0.17 C ATOM 2118 CD GLU B 50 32.945 23.673 29.345 1.00 1.14 C ATOM 2119 OE1 GLU B 50 31.960 23.111 28.896 1.00 1.78 O ATOM 2120 OE2 GLU B 50 33.791 23.122 30.031 1.00 1.97 O ATOM 0 H GLU B 50 29.961 27.123 27.623 1.00 0.12 H new ATOM 0 HA GLU B 50 32.330 27.643 29.022 1.00 0.12 H new ATOM 0 HB2 GLU B 50 31.001 25.469 28.858 1.00 0.14 H new ATOM 0 HB3 GLU B 50 31.800 25.178 27.326 1.00 0.14 H new ATOM 0 HG2 GLU B 50 34.027 25.300 28.419 1.00 0.17 H new ATOM 0 HG3 GLU B 50 33.284 25.721 29.949 1.00 0.17 H new ATOM 2127 N GLY B 51 32.631 27.717 25.806 1.00 0.10 N ATOM 2128 CA GLY B 51 33.573 28.038 24.695 1.00 0.09 C ATOM 2129 C GLY B 51 33.920 29.524 24.786 1.00 0.09 C ATOM 2130 O GLY B 51 35.069 29.902 24.904 1.00 0.10 O ATOM 0 H GLY B 51 31.645 27.707 25.547 1.00 0.10 H new ATOM 0 HA2 GLY B 51 34.475 27.430 24.772 1.00 0.09 H new ATOM 0 HA3 GLY B 51 33.117 27.811 23.731 1.00 0.09 H new ATOM 2134 N GLN B 52 32.922 30.370 24.760 1.00 0.10 N ATOM 2135 CA GLN B 52 33.172 31.838 24.876 1.00 0.11 C ATOM 2136 C GLN B 52 34.092 32.074 26.066 1.00 0.11 C ATOM 2137 O GLN B 52 35.076 32.782 25.982 1.00 0.13 O ATOM 2138 CB GLN B 52 31.842 32.562 25.113 1.00 0.13 C ATOM 2139 CG GLN B 52 30.861 32.216 23.991 1.00 0.19 C ATOM 2140 CD GLN B 52 31.273 32.941 22.710 1.00 0.54 C ATOM 2141 OE1 GLN B 52 30.685 32.638 21.585 1.00 1.37 O flip ATOM 2142 NE2 GLN B 52 32.138 33.794 22.733 1.00 0.74 N flip ATOM 0 H GLN B 52 31.942 30.106 24.663 1.00 0.10 H new ATOM 0 HA GLN B 52 33.631 32.216 23.962 1.00 0.11 H new ATOM 0 HB2 GLN B 52 31.425 32.271 26.077 1.00 0.13 H new ATOM 0 HB3 GLN B 52 32.004 33.639 25.148 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.849 31.139 23.824 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.850 32.506 24.276 1.00 0.19 H new ATOM 0 HE21 GLN B 52 32.598 34.031 23.612 1.00 0.74 H new ATOM 0 HE22 GLN B 52 32.405 34.273 21.873 1.00 0.74 H new ATOM 2151 N TYR B 53 33.779 31.469 27.172 1.00 0.11 N ATOM 2152 CA TYR B 53 34.633 31.633 28.379 1.00 0.13 C ATOM 2153 C TYR B 53 36.069 31.207 28.034 1.00 0.13 C ATOM 2154 O TYR B 53 37.021 31.851 28.421 1.00 0.16 O ATOM 2155 CB TYR B 53 34.061 30.773 29.528 1.00 0.14 C ATOM 2156 CG TYR B 53 35.111 30.528 30.596 1.00 0.17 C ATOM 2157 CD1 TYR B 53 36.114 29.587 30.369 1.00 0.17 C ATOM 2158 CD2 TYR B 53 35.081 31.237 31.803 1.00 0.22 C ATOM 2159 CE1 TYR B 53 37.092 29.346 31.330 1.00 0.22 C ATOM 2160 CE2 TYR B 53 36.062 30.997 32.778 1.00 0.26 C ATOM 2161 CZ TYR B 53 37.071 30.051 32.539 1.00 0.25 C ATOM 2162 OH TYR B 53 38.036 29.814 33.495 1.00 0.30 O ATOM 0 H TYR B 53 32.966 30.865 27.295 1.00 0.11 H new ATOM 0 HA TYR B 53 34.644 32.674 28.701 1.00 0.13 H new ATOM 0 HB2 TYR B 53 33.199 31.274 29.968 1.00 0.14 H new ATOM 0 HB3 TYR B 53 33.709 29.820 29.134 1.00 0.14 H new ATOM 0 HD1 TYR B 53 36.133 29.039 29.438 1.00 0.17 H new ATOM 0 HD2 TYR B 53 34.305 31.966 31.983 1.00 0.22 H new ATOM 0 HE1 TYR B 53 37.866 28.616 31.143 1.00 0.22 H new ATOM 0 HE2 TYR B 53 36.040 31.540 33.711 1.00 0.26 H new ATOM 0 HH TYR B 53 37.875 30.389 34.272 1.00 0.30 H new ATOM 2172 N VAL B 54 36.235 30.123 27.318 1.00 0.11 N ATOM 2173 CA VAL B 54 37.619 29.671 26.973 1.00 0.12 C ATOM 2174 C VAL B 54 38.315 30.743 26.128 1.00 0.12 C ATOM 2175 O VAL B 54 39.296 31.334 26.533 1.00 0.13 O ATOM 2176 CB VAL B 54 37.581 28.364 26.151 1.00 0.11 C ATOM 2177 CG1 VAL B 54 39.016 27.996 25.752 1.00 0.13 C ATOM 2178 CG2 VAL B 54 36.958 27.197 26.962 1.00 0.12 C ATOM 0 H VAL B 54 35.481 29.536 26.960 1.00 0.11 H new ATOM 0 HA VAL B 54 38.160 29.501 27.904 1.00 0.12 H new ATOM 0 HB VAL B 54 36.961 28.526 25.269 1.00 0.11 H new ATOM 0 HG11 VAL B 54 39.007 27.074 25.170 1.00 0.13 H new ATOM 0 HG12 VAL B 54 39.444 28.799 25.152 1.00 0.13 H new ATOM 0 HG13 VAL B 54 39.618 27.853 26.649 1.00 0.13 H new ATOM 0 HG21 VAL B 54 36.948 26.294 26.351 1.00 0.12 H new ATOM 0 HG22 VAL B 54 37.550 27.021 27.860 1.00 0.12 H new ATOM 0 HG23 VAL B 54 35.937 27.455 27.245 1.00 0.12 H new ATOM 2188 N VAL B 55 37.817 30.977 24.944 1.00 0.11 N ATOM 2189 CA VAL B 55 38.442 31.986 24.042 1.00 0.11 C ATOM 2190 C VAL B 55 38.661 33.296 24.799 1.00 0.14 C ATOM 2191 O VAL B 55 39.754 33.823 24.846 1.00 0.17 O ATOM 2192 CB VAL B 55 37.516 32.233 22.839 1.00 0.11 C ATOM 2193 CG1 VAL B 55 38.176 33.208 21.858 1.00 0.13 C ATOM 2194 CG2 VAL B 55 37.251 30.906 22.122 1.00 0.10 C ATOM 0 H VAL B 55 36.997 30.508 24.560 1.00 0.11 H new ATOM 0 HA VAL B 55 39.405 31.612 23.693 1.00 0.11 H new ATOM 0 HB VAL B 55 36.578 32.659 23.195 1.00 0.11 H new ATOM 0 HG11 VAL B 55 37.512 33.376 21.010 1.00 0.13 H new ATOM 0 HG12 VAL B 55 38.369 34.155 22.361 1.00 0.13 H new ATOM 0 HG13 VAL B 55 39.117 32.787 21.504 1.00 0.13 H new ATOM 0 HG21 VAL B 55 36.595 31.078 21.269 1.00 0.10 H new ATOM 0 HG22 VAL B 55 38.195 30.485 21.775 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.775 30.209 22.811 1.00 0.10 H new ATOM 2204 N ASN B 56 37.625 33.833 25.374 1.00 0.16 N ATOM 2205 CA ASN B 56 37.766 35.122 26.112 1.00 0.20 C ATOM 2206 C ASN B 56 38.828 34.993 27.207 1.00 0.22 C ATOM 2207 O ASN B 56 39.622 35.886 27.420 1.00 0.31 O ATOM 2208 CB ASN B 56 36.427 35.495 26.750 1.00 0.26 C ATOM 2209 CG ASN B 56 36.525 36.899 27.348 1.00 0.52 C ATOM 2210 OD1 ASN B 56 37.562 37.286 27.849 1.00 1.35 O ATOM 2211 ND2 ASN B 56 35.484 37.685 27.317 1.00 0.91 N ATOM 0 H ASN B 56 36.685 33.437 25.367 1.00 0.16 H new ATOM 0 HA ASN B 56 38.070 35.898 25.409 1.00 0.20 H new ATOM 0 HB2 ASN B 56 35.633 35.460 26.004 1.00 0.26 H new ATOM 0 HB3 ASN B 56 36.167 34.774 27.526 1.00 0.26 H new ATOM 0 HD21 ASN B 56 35.541 38.623 27.713 1.00 0.91 H new ATOM 0 HD22 ASN B 56 34.613 37.361 26.897 1.00 0.91 H new