USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 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 -53:sc= -1.72! USER MOD Set 1.2: B 52 GLN : amide:sc= -4! C(o=-5.7!,f=-5.5!) USER MOD Set 2.1: A 22 TYR OH : rot -80:sc= -1.7! USER MOD Set 2.2: A 52 GLN : amide:sc= -3.74! C(o=-5.4!,f=-5.4!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -63:sc= -0.93 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= -0.0258 (180deg=-0.378) USER MOD Single : A 19 LYS NZ :NH3+ -116:sc= -0.389 (180deg=-1.46) USER MOD Single : A 27 MET CE :methyl -148:sc= -0.246 (180deg=-1.98!) USER MOD Single : A 30 MET CE :methyl 167:sc= -0.141 (180deg=-0.855) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= -0.119 (180deg=-0.687) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -64:sc= 0.316 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.746 K(o=-0.75,f=-3.9!) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot 52:sc= -6.36! USER MOD Single : B 14 GLN :FLIP amide:sc= -0.372 F(o=-2.3,f=-0.37) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -156:sc= -0.191 (180deg=-0.905) USER MOD Single : B 27 MET CE :methyl 148:sc= 0 (180deg=-0.581) USER MOD Single : B 30 MET CE :methyl -160:sc= -0.671 (180deg=-1.55) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.535) USER MOD Single : B 40 ASN :FLIP amide:sc= -0.0651 F(o=-2.2!,f=-0.065) USER MOD Single : B 45 SER OG : rot -160:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN :FLIP amide:sc= -0.0146 F(o=-2!,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 44.704 23.658 22.261 1.00 0.27 N ATOM 107 CA PHE A 9 43.303 23.479 21.778 1.00 0.25 C ATOM 108 C PHE A 9 42.846 24.760 21.078 1.00 0.25 C ATOM 109 O PHE A 9 42.268 24.724 20.010 1.00 0.36 O ATOM 110 CB PHE A 9 42.392 23.189 22.976 1.00 0.23 C ATOM 111 CG PHE A 9 41.089 22.596 22.498 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.988 21.218 22.278 1.00 0.19 C ATOM 113 CD2 PHE A 9 39.982 23.423 22.277 1.00 0.20 C ATOM 114 CE1 PHE A 9 39.781 20.667 21.836 1.00 0.19 C ATOM 115 CE2 PHE A 9 38.776 22.869 21.834 1.00 0.21 C ATOM 116 CZ PHE A 9 38.675 21.494 21.614 1.00 0.20 C ATOM 0 HA PHE A 9 43.254 22.646 21.076 1.00 0.25 H new ATOM 0 HB2 PHE A 9 42.886 22.500 23.661 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.202 24.108 23.530 1.00 0.23 H new ATOM 0 HD1 PHE A 9 41.842 20.580 22.450 1.00 0.19 H new ATOM 0 HD2 PHE A 9 40.058 24.487 22.448 1.00 0.20 H new ATOM 0 HE1 PHE A 9 39.703 19.603 21.666 1.00 0.19 H new ATOM 0 HE2 PHE A 9 37.921 23.506 21.662 1.00 0.21 H new ATOM 0 HZ PHE A 9 37.743 21.069 21.272 1.00 0.20 H new ATOM 126 N LEU A 10 43.113 25.893 21.666 1.00 0.21 N ATOM 127 CA LEU A 10 42.706 27.173 21.027 1.00 0.21 C ATOM 128 C LEU A 10 43.519 27.363 19.746 1.00 0.22 C ATOM 129 O LEU A 10 43.050 27.930 18.779 1.00 0.27 O ATOM 130 CB LEU A 10 42.977 28.335 21.983 1.00 0.24 C ATOM 131 CG LEU A 10 42.334 28.049 23.345 1.00 0.27 C ATOM 132 CD1 LEU A 10 42.756 29.134 24.335 1.00 0.31 C ATOM 133 CD2 LEU A 10 40.804 28.047 23.215 1.00 0.28 C ATOM 0 H LEU A 10 43.595 25.987 22.560 1.00 0.21 H new ATOM 0 HA LEU A 10 41.642 27.147 20.792 1.00 0.21 H new ATOM 0 HB2 LEU A 10 44.051 28.478 22.101 1.00 0.24 H new ATOM 0 HB3 LEU A 10 42.576 29.260 21.568 1.00 0.24 H new ATOM 0 HG LEU A 10 42.662 27.072 23.700 1.00 0.27 H new ATOM 0 HD11 LEU A 10 42.302 28.937 25.306 1.00 0.31 H new ATOM 0 HD12 LEU A 10 43.841 29.133 24.435 1.00 0.31 H new ATOM 0 HD13 LEU A 10 42.426 30.107 23.971 1.00 0.31 H new ATOM 0 HD21 LEU A 10 40.356 27.843 24.188 1.00 0.28 H new ATOM 0 HD22 LEU A 10 40.468 29.020 22.858 1.00 0.28 H new ATOM 0 HD23 LEU A 10 40.500 27.276 22.507 1.00 0.28 H new ATOM 145 N ASP A 11 44.735 26.884 19.730 1.00 0.21 N ATOM 146 CA ASP A 11 45.575 27.029 18.509 1.00 0.23 C ATOM 147 C ASP A 11 44.847 26.386 17.328 1.00 0.20 C ATOM 148 O ASP A 11 44.622 27.010 16.310 1.00 0.29 O ATOM 149 CB ASP A 11 46.922 26.330 18.727 1.00 0.27 C ATOM 150 CG ASP A 11 47.922 26.803 17.669 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.499 27.055 16.553 1.00 1.64 O ATOM 152 OD2 ASP A 11 49.094 26.904 17.994 1.00 1.92 O ATOM 0 H ASP A 11 45.181 26.400 20.509 1.00 0.21 H new ATOM 0 HA ASP A 11 45.750 28.085 18.303 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.301 26.551 19.725 1.00 0.27 H new ATOM 0 HB3 ASP A 11 46.796 25.249 18.666 1.00 0.27 H new ATOM 157 N TYR A 12 44.469 25.143 17.460 1.00 0.14 N ATOM 158 CA TYR A 12 43.749 24.465 16.349 1.00 0.12 C ATOM 159 C TYR A 12 42.512 25.286 15.985 1.00 0.11 C ATOM 160 O TYR A 12 42.246 25.554 14.831 1.00 0.15 O ATOM 161 CB TYR A 12 43.314 23.060 16.800 1.00 0.12 C ATOM 162 CG TYR A 12 44.533 22.176 17.019 1.00 0.16 C ATOM 163 CD1 TYR A 12 45.426 21.922 15.967 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.768 21.605 18.279 1.00 0.20 C ATOM 165 CE1 TYR A 12 46.544 21.104 16.175 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.887 20.788 18.484 1.00 0.27 C ATOM 167 CZ TYR A 12 46.774 20.538 17.433 1.00 0.30 C ATOM 168 OH TYR A 12 47.875 19.731 17.636 1.00 0.37 O ATOM 0 H TYR A 12 44.628 24.570 18.289 1.00 0.14 H new ATOM 0 HA TYR A 12 44.405 24.379 15.483 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.736 23.129 17.721 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.663 22.614 16.048 1.00 0.12 H new ATOM 0 HD1 TYR A 12 45.251 22.358 14.995 1.00 0.22 H new ATOM 0 HD2 TYR A 12 44.084 21.796 19.093 1.00 0.20 H new ATOM 0 HE1 TYR A 12 47.229 20.910 15.363 1.00 0.28 H new ATOM 0 HE2 TYR A 12 46.065 20.351 19.455 1.00 0.27 H new ATOM 0 HH TYR A 12 47.886 19.421 18.566 1.00 0.37 H new ATOM 178 N CYS A 13 41.756 25.688 16.965 1.00 0.12 N ATOM 179 CA CYS A 13 40.537 26.494 16.690 1.00 0.15 C ATOM 180 C CYS A 13 40.898 27.680 15.797 1.00 0.16 C ATOM 181 O CYS A 13 40.194 28.002 14.860 1.00 0.19 O ATOM 182 CB CYS A 13 39.961 27.001 18.013 1.00 0.19 C ATOM 183 SG CYS A 13 39.138 25.639 18.875 1.00 1.38 S ATOM 0 H CYS A 13 41.931 25.492 17.951 1.00 0.12 H new ATOM 0 HA CYS A 13 39.796 25.877 16.182 1.00 0.15 H new ATOM 0 HB2 CYS A 13 40.757 27.411 18.635 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.253 27.809 17.828 1.00 0.19 H new ATOM 0 HG CYS A 13 38.137 25.216 18.162 1.00 1.38 H new ATOM 189 N GLN A 14 41.993 28.332 16.075 1.00 0.17 N ATOM 190 CA GLN A 14 42.402 29.495 15.239 1.00 0.21 C ATOM 191 C GLN A 14 42.344 29.102 13.761 1.00 0.21 C ATOM 192 O GLN A 14 41.730 29.770 12.955 1.00 0.28 O ATOM 193 CB GLN A 14 43.828 29.909 15.606 1.00 0.25 C ATOM 194 CG GLN A 14 44.161 31.242 14.933 1.00 0.64 C ATOM 195 CD GLN A 14 45.610 31.624 15.244 1.00 0.78 C ATOM 196 OE1 GLN A 14 46.358 30.831 15.780 1.00 1.68 O ATOM 197 NE2 GLN A 14 46.039 32.816 14.930 1.00 1.31 N ATOM 0 H GLN A 14 42.623 28.109 16.846 1.00 0.17 H new ATOM 0 HA GLN A 14 41.726 30.331 15.418 1.00 0.21 H new ATOM 0 HB2 GLN A 14 43.924 30.001 16.688 1.00 0.25 H new ATOM 0 HB3 GLN A 14 44.534 29.142 15.288 1.00 0.25 H new ATOM 0 HG2 GLN A 14 44.018 31.163 13.855 1.00 0.64 H new ATOM 0 HG3 GLN A 14 43.485 32.020 15.288 1.00 0.64 H new ATOM 0 HE21 GLN A 14 45.411 33.482 14.480 1.00 1.31 H new ATOM 0 HE22 GLN A 14 47.002 33.082 15.135 1.00 1.31 H new ATOM 206 N LYS A 15 42.972 28.017 13.401 1.00 0.20 N ATOM 207 CA LYS A 15 42.943 27.581 11.977 1.00 0.22 C ATOM 208 C LYS A 15 41.490 27.524 11.501 1.00 0.19 C ATOM 209 O LYS A 15 41.100 28.189 10.563 1.00 0.22 O ATOM 210 CB LYS A 15 43.552 26.185 11.870 1.00 0.25 C ATOM 211 CG LYS A 15 45.074 26.259 11.997 1.00 0.57 C ATOM 212 CD LYS A 15 45.669 24.898 11.636 1.00 1.16 C ATOM 213 CE LYS A 15 47.118 24.831 12.093 1.00 1.52 C ATOM 214 NZ LYS A 15 47.864 26.009 11.569 1.00 2.24 N ATOM 0 H LYS A 15 43.503 27.415 14.030 1.00 0.20 H new ATOM 0 HA LYS A 15 43.509 28.283 11.365 1.00 0.22 H new ATOM 0 HB2 LYS A 15 43.146 25.543 12.651 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.281 25.735 10.915 1.00 0.25 H new ATOM 0 HG2 LYS A 15 45.470 27.030 11.337 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.354 26.535 13.014 1.00 0.57 H new ATOM 0 HD2 LYS A 15 45.092 24.102 12.108 1.00 1.16 H new ATOM 0 HD3 LYS A 15 45.610 24.739 10.559 1.00 1.16 H new ATOM 0 HE2 LYS A 15 47.166 24.813 13.182 1.00 1.52 H new ATOM 0 HE3 LYS A 15 47.579 23.909 11.738 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 48.886 25.834 11.643 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 47.611 26.165 10.572 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 47.616 26.852 12.125 1.00 2.24 H new ATOM 228 N LEU A 16 40.689 26.727 12.153 1.00 0.15 N ATOM 229 CA LEU A 16 39.256 26.609 11.762 1.00 0.13 C ATOM 230 C LEU A 16 38.648 28.013 11.678 1.00 0.13 C ATOM 231 O LEU A 16 37.684 28.245 10.976 1.00 0.17 O ATOM 232 CB LEU A 16 38.525 25.756 12.832 1.00 0.11 C ATOM 233 CG LEU A 16 37.733 24.610 12.180 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.691 23.526 11.643 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.795 23.999 13.226 1.00 0.17 C ATOM 0 H LEU A 16 40.968 26.148 12.945 1.00 0.15 H new ATOM 0 HA LEU A 16 39.154 26.126 10.790 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.252 25.347 13.534 1.00 0.11 H new ATOM 0 HB3 LEU A 16 37.849 26.389 13.406 1.00 0.11 H new ATOM 0 HG LEU A 16 37.156 25.003 11.343 1.00 0.14 H new ATOM 0 HD11 LEU A 16 38.112 22.724 11.185 1.00 0.26 H new ATOM 0 HD12 LEU A 16 39.356 23.964 10.899 1.00 0.26 H new ATOM 0 HD13 LEU A 16 39.282 23.123 12.465 1.00 0.26 H new ATOM 0 HD21 LEU A 16 36.228 23.185 12.775 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.382 23.614 14.060 1.00 0.17 H new ATOM 0 HD23 LEU A 16 36.107 24.763 13.588 1.00 0.17 H new ATOM 247 N LEU A 17 39.209 28.946 12.393 1.00 0.12 N ATOM 248 CA LEU A 17 38.675 30.333 12.367 1.00 0.13 C ATOM 249 C LEU A 17 39.215 31.066 11.134 1.00 0.15 C ATOM 250 O LEU A 17 38.485 31.723 10.419 1.00 0.22 O ATOM 251 CB LEU A 17 39.127 31.059 13.644 1.00 0.12 C ATOM 252 CG LEU A 17 38.199 32.259 13.931 1.00 0.12 C ATOM 253 CD1 LEU A 17 36.962 31.794 14.712 1.00 0.12 C ATOM 254 CD2 LEU A 17 38.936 33.316 14.765 1.00 0.13 C ATOM 0 H LEU A 17 40.019 28.806 12.997 1.00 0.12 H new ATOM 0 HA LEU A 17 37.586 30.314 12.319 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.113 30.369 14.488 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.155 31.404 13.531 1.00 0.12 H new ATOM 0 HG LEU A 17 37.896 32.690 12.977 1.00 0.12 H new ATOM 0 HD11 LEU A 17 36.314 32.648 14.909 1.00 0.12 H new ATOM 0 HD12 LEU A 17 36.418 31.054 14.125 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.274 31.350 15.657 1.00 0.12 H new ATOM 0 HD21 LEU A 17 38.269 34.156 14.959 1.00 0.13 H new ATOM 0 HD22 LEU A 17 39.252 32.877 15.711 1.00 0.13 H new ATOM 0 HD23 LEU A 17 39.811 33.667 14.217 1.00 0.13 H new ATOM 266 N GLU A 18 40.489 30.958 10.888 1.00 0.20 N ATOM 267 CA GLU A 18 41.089 31.647 9.709 1.00 0.25 C ATOM 268 C GLU A 18 40.590 30.987 8.427 1.00 0.21 C ATOM 269 O GLU A 18 40.072 31.636 7.540 1.00 0.25 O ATOM 270 CB GLU A 18 42.613 31.524 9.762 1.00 0.32 C ATOM 271 CG GLU A 18 43.141 32.055 11.098 1.00 1.41 C ATOM 272 CD GLU A 18 43.191 33.585 11.067 1.00 2.13 C ATOM 273 OE1 GLU A 18 42.142 34.195 11.193 1.00 2.62 O ATOM 274 OE2 GLU A 18 44.277 34.120 10.917 1.00 2.77 O ATOM 0 H GLU A 18 41.145 30.420 11.454 1.00 0.20 H new ATOM 0 HA GLU A 18 40.801 32.698 9.725 1.00 0.25 H new ATOM 0 HB2 GLU A 18 42.905 30.482 9.636 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.059 32.082 8.939 1.00 0.32 H new ATOM 0 HG2 GLU A 18 42.498 31.720 11.912 1.00 1.41 H new ATOM 0 HG3 GLU A 18 44.136 31.654 11.291 1.00 1.41 H new ATOM 281 N LYS A 19 40.753 29.698 8.322 1.00 0.20 N ATOM 282 CA LYS A 19 40.306 28.981 7.103 1.00 0.20 C ATOM 283 C LYS A 19 38.887 29.428 6.733 1.00 0.18 C ATOM 284 O LYS A 19 38.626 29.827 5.615 1.00 0.24 O ATOM 285 CB LYS A 19 40.338 27.472 7.396 1.00 0.22 C ATOM 286 CG LYS A 19 41.717 26.893 7.036 1.00 0.30 C ATOM 287 CD LYS A 19 41.957 25.595 7.809 1.00 0.37 C ATOM 288 CE LYS A 19 40.892 24.562 7.432 1.00 0.92 C ATOM 289 NZ LYS A 19 41.243 23.244 8.035 1.00 1.77 N ATOM 0 H LYS A 19 41.181 29.109 9.036 1.00 0.20 H new ATOM 0 HA LYS A 19 40.963 29.206 6.263 1.00 0.20 H new ATOM 0 HB2 LYS A 19 40.124 27.294 8.450 1.00 0.22 H new ATOM 0 HB3 LYS A 19 39.561 26.966 6.823 1.00 0.22 H new ATOM 0 HG2 LYS A 19 41.772 26.703 5.964 1.00 0.30 H new ATOM 0 HG3 LYS A 19 42.497 27.616 7.272 1.00 0.30 H new ATOM 0 HD2 LYS A 19 42.950 25.206 7.584 1.00 0.37 H new ATOM 0 HD3 LYS A 19 41.926 25.788 8.881 1.00 0.37 H new ATOM 0 HE2 LYS A 19 39.914 24.887 7.786 1.00 0.92 H new ATOM 0 HE3 LYS A 19 40.825 24.472 6.348 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 41.430 22.555 7.279 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 42.092 23.348 8.627 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 40.452 22.908 8.621 1.00 1.77 H new ATOM 303 N PHE A 20 37.973 29.378 7.660 1.00 0.16 N ATOM 304 CA PHE A 20 36.587 29.815 7.358 1.00 0.16 C ATOM 305 C PHE A 20 36.522 31.337 7.495 1.00 0.19 C ATOM 306 O PHE A 20 35.473 31.943 7.400 1.00 0.30 O ATOM 307 CB PHE A 20 35.634 29.159 8.352 1.00 0.14 C ATOM 308 CG PHE A 20 35.507 27.684 8.036 1.00 0.13 C ATOM 309 CD1 PHE A 20 36.544 26.812 8.388 1.00 0.13 C ATOM 310 CD2 PHE A 20 34.359 27.185 7.395 1.00 0.13 C ATOM 311 CE1 PHE A 20 36.440 25.446 8.104 1.00 0.12 C ATOM 312 CE2 PHE A 20 34.259 25.817 7.113 1.00 0.13 C ATOM 313 CZ PHE A 20 35.299 24.949 7.467 1.00 0.12 C ATOM 0 H PHE A 20 38.128 29.053 8.614 1.00 0.16 H new ATOM 0 HA PHE A 20 36.302 29.525 6.347 1.00 0.16 H new ATOM 0 HB2 PHE A 20 36.004 29.293 9.369 1.00 0.14 H new ATOM 0 HB3 PHE A 20 34.656 29.637 8.303 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.426 27.195 8.880 1.00 0.13 H new ATOM 0 HD2 PHE A 20 33.557 27.855 7.121 1.00 0.13 H new ATOM 0 HE1 PHE A 20 37.241 24.775 8.377 1.00 0.12 H new ATOM 0 HE2 PHE A 20 33.378 25.431 6.622 1.00 0.13 H new ATOM 0 HZ PHE A 20 35.220 23.894 7.248 1.00 0.12 H new ATOM 323 N ARG A 21 37.655 31.954 7.706 1.00 0.18 N ATOM 324 CA ARG A 21 37.701 33.441 7.841 1.00 0.21 C ATOM 325 C ARG A 21 36.630 33.938 8.822 1.00 0.18 C ATOM 326 O ARG A 21 35.986 34.939 8.580 1.00 0.19 O ATOM 327 CB ARG A 21 37.461 34.079 6.471 1.00 0.29 C ATOM 328 CG ARG A 21 38.505 33.567 5.476 1.00 0.65 C ATOM 329 CD ARG A 21 38.193 34.114 4.082 1.00 1.12 C ATOM 330 NE ARG A 21 39.125 33.510 3.089 1.00 1.93 N ATOM 331 CZ ARG A 21 38.860 33.593 1.814 1.00 2.67 C ATOM 332 NH1 ARG A 21 37.779 34.205 1.412 1.00 2.95 N ATOM 333 NH2 ARG A 21 39.674 33.067 0.940 1.00 3.64 N ATOM 0 H ARG A 21 38.558 31.488 7.791 1.00 0.18 H new ATOM 0 HA ARG A 21 38.681 33.723 8.225 1.00 0.21 H new ATOM 0 HB2 ARG A 21 36.458 33.839 6.117 1.00 0.29 H new ATOM 0 HB3 ARG A 21 37.520 35.165 6.549 1.00 0.29 H new ATOM 0 HG2 ARG A 21 39.502 33.879 5.786 1.00 0.65 H new ATOM 0 HG3 ARG A 21 38.503 32.477 5.459 1.00 0.65 H new ATOM 0 HD2 ARG A 21 37.161 33.886 3.813 1.00 1.12 H new ATOM 0 HD3 ARG A 21 38.292 35.199 4.076 1.00 1.12 H new ATOM 0 HE ARG A 21 39.969 33.032 3.405 1.00 1.93 H new ATOM 0 HH11 ARG A 21 37.143 34.618 2.094 1.00 2.95 H new ATOM 0 HH12 ARG A 21 37.571 34.271 0.416 1.00 2.95 H new ATOM 0 HH21 ARG A 21 40.519 32.590 1.253 1.00 3.64 H new ATOM 0 HH22 ARG A 21 39.465 33.133 -0.056 1.00 3.64 H new ATOM 347 N TYR A 22 36.431 33.265 9.929 1.00 0.15 N ATOM 348 CA TYR A 22 35.398 33.737 10.904 1.00 0.13 C ATOM 349 C TYR A 22 36.025 34.819 11.825 1.00 0.14 C ATOM 350 O TYR A 22 37.209 34.765 12.089 1.00 0.15 O ATOM 351 CB TYR A 22 34.939 32.554 11.779 1.00 0.11 C ATOM 352 CG TYR A 22 33.863 31.720 11.089 1.00 0.11 C ATOM 353 CD1 TYR A 22 32.677 32.312 10.611 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.050 30.336 10.943 1.00 0.11 C ATOM 355 CE1 TYR A 22 31.699 31.522 9.993 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.069 29.553 10.325 1.00 0.12 C ATOM 357 CZ TYR A 22 31.895 30.144 9.850 1.00 0.13 C ATOM 358 OH TYR A 22 30.929 29.368 9.240 1.00 0.15 O ATOM 0 H TYR A 22 36.933 32.419 10.198 1.00 0.15 H new ATOM 0 HA TYR A 22 34.548 34.149 10.360 1.00 0.13 H new ATOM 0 HB2 TYR A 22 35.795 31.921 12.012 1.00 0.11 H new ATOM 0 HB3 TYR A 22 34.554 32.931 12.727 1.00 0.11 H new ATOM 0 HD1 TYR A 22 32.522 33.375 10.721 1.00 0.12 H new ATOM 0 HD2 TYR A 22 34.955 29.874 11.309 1.00 0.11 H new ATOM 0 HE1 TYR A 22 30.791 31.978 9.626 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.219 28.489 10.215 1.00 0.12 H new ATOM 0 HH TYR A 22 30.213 29.174 9.880 1.00 0.15 H new ATOM 368 N PRO A 23 35.223 35.755 12.319 1.00 0.14 N ATOM 369 CA PRO A 23 35.726 36.805 13.235 1.00 0.16 C ATOM 370 C PRO A 23 36.239 36.168 14.539 1.00 0.16 C ATOM 371 O PRO A 23 36.148 34.974 14.738 1.00 0.15 O ATOM 372 CB PRO A 23 34.508 37.719 13.509 1.00 0.17 C ATOM 373 CG PRO A 23 33.269 37.040 12.864 1.00 0.15 C ATOM 374 CD PRO A 23 33.780 35.860 12.008 1.00 0.14 C ATOM 0 HA PRO A 23 36.559 37.364 12.809 1.00 0.16 H new ATOM 0 HB2 PRO A 23 34.360 37.851 14.581 1.00 0.17 H new ATOM 0 HB3 PRO A 23 34.668 38.710 13.085 1.00 0.17 H new ATOM 0 HG2 PRO A 23 32.582 36.687 13.633 1.00 0.15 H new ATOM 0 HG3 PRO A 23 32.719 37.751 12.247 1.00 0.15 H new ATOM 0 HD2 PRO A 23 33.255 34.937 12.255 1.00 0.14 H new ATOM 0 HD3 PRO A 23 33.618 36.044 10.946 1.00 0.14 H new ATOM 382 N TRP A 24 36.779 36.967 15.421 1.00 0.18 N ATOM 383 CA TRP A 24 37.310 36.431 16.714 1.00 0.19 C ATOM 384 C TRP A 24 36.169 36.179 17.705 1.00 0.19 C ATOM 385 O TRP A 24 36.352 35.532 18.717 1.00 0.21 O ATOM 386 CB TRP A 24 38.283 37.446 17.317 1.00 0.21 C ATOM 387 CG TRP A 24 38.792 36.930 18.624 1.00 0.28 C ATOM 388 CD1 TRP A 24 38.416 37.387 19.841 1.00 0.34 C ATOM 389 CD2 TRP A 24 39.759 35.867 18.867 1.00 0.33 C ATOM 390 NE1 TRP A 24 39.092 36.674 20.815 1.00 0.42 N ATOM 391 CE2 TRP A 24 39.931 35.726 20.264 1.00 0.42 C ATOM 392 CE3 TRP A 24 40.496 35.022 18.018 1.00 0.35 C ATOM 393 CZ2 TRP A 24 40.804 34.779 20.800 1.00 0.50 C ATOM 394 CZ3 TRP A 24 41.375 34.068 18.555 1.00 0.45 C ATOM 395 CH2 TRP A 24 41.529 33.947 19.943 1.00 0.52 C ATOM 0 H TRP A 24 36.877 37.975 15.302 1.00 0.18 H new ATOM 0 HA TRP A 24 37.820 35.488 16.519 1.00 0.19 H new ATOM 0 HB2 TRP A 24 39.114 37.620 16.634 1.00 0.21 H new ATOM 0 HB3 TRP A 24 37.783 38.404 17.461 1.00 0.21 H new ATOM 0 HD1 TRP A 24 37.704 38.179 20.022 1.00 0.34 H new ATOM 0 HE1 TRP A 24 38.984 36.830 21.817 1.00 0.42 H new ATOM 0 HE3 TRP A 24 40.385 35.107 16.947 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 40.919 34.690 21.870 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 41.936 33.423 17.895 1.00 0.45 H new ATOM 0 HH2 TRP A 24 42.207 33.211 20.350 1.00 0.52 H new ATOM 406 N GLU A 25 35.002 36.696 17.442 1.00 0.18 N ATOM 407 CA GLU A 25 33.870 36.495 18.393 1.00 0.21 C ATOM 408 C GLU A 25 33.308 35.071 18.283 1.00 0.17 C ATOM 409 O GLU A 25 32.566 34.629 19.137 1.00 0.20 O ATOM 410 CB GLU A 25 32.762 37.502 18.075 1.00 0.29 C ATOM 411 CG GLU A 25 31.591 37.299 19.039 1.00 1.15 C ATOM 412 CD GLU A 25 30.647 38.500 18.954 1.00 1.55 C ATOM 413 OE1 GLU A 25 30.385 38.944 17.848 1.00 2.18 O ATOM 414 OE2 GLU A 25 30.203 38.955 19.995 1.00 1.97 O ATOM 0 H GLU A 25 34.782 37.248 16.613 1.00 0.18 H new ATOM 0 HA GLU A 25 34.237 36.645 19.408 1.00 0.21 H new ATOM 0 HB2 GLU A 25 33.145 38.519 18.161 1.00 0.29 H new ATOM 0 HB3 GLU A 25 32.425 37.375 17.046 1.00 0.29 H new ATOM 0 HG2 GLU A 25 31.055 36.383 18.790 1.00 1.15 H new ATOM 0 HG3 GLU A 25 31.960 37.185 20.058 1.00 1.15 H new ATOM 421 N LEU A 26 33.635 34.352 17.238 1.00 0.13 N ATOM 422 CA LEU A 26 33.093 32.961 17.081 1.00 0.11 C ATOM 423 C LEU A 26 34.099 31.920 17.570 1.00 0.10 C ATOM 424 O LEU A 26 34.119 30.802 17.094 1.00 0.11 O ATOM 425 CB LEU A 26 32.786 32.696 15.609 1.00 0.10 C ATOM 426 CG LEU A 26 32.020 33.878 15.012 1.00 0.10 C ATOM 427 CD1 LEU A 26 31.499 33.483 13.631 1.00 0.11 C ATOM 428 CD2 LEU A 26 30.837 34.253 15.918 1.00 0.12 C ATOM 0 H LEU A 26 34.251 34.664 16.488 1.00 0.13 H new ATOM 0 HA LEU A 26 32.185 32.881 17.679 1.00 0.11 H new ATOM 0 HB2 LEU A 26 33.713 32.538 15.059 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.197 31.784 15.510 1.00 0.10 H new ATOM 0 HG LEU A 26 32.686 34.737 14.929 1.00 0.10 H new ATOM 0 HD11 LEU A 26 30.951 34.319 13.196 1.00 0.11 H new ATOM 0 HD12 LEU A 26 32.339 33.224 12.986 1.00 0.11 H new ATOM 0 HD13 LEU A 26 30.835 32.624 13.725 1.00 0.11 H new ATOM 0 HD21 LEU A 26 30.299 35.095 15.484 1.00 0.12 H new ATOM 0 HD22 LEU A 26 30.164 33.400 16.009 1.00 0.12 H new ATOM 0 HD23 LEU A 26 31.208 34.530 16.905 1.00 0.12 H new ATOM 440 N MET A 27 34.928 32.257 18.517 1.00 0.12 N ATOM 441 CA MET A 27 35.904 31.253 19.014 1.00 0.13 C ATOM 442 C MET A 27 35.187 30.153 19.842 1.00 0.11 C ATOM 443 O MET A 27 35.575 29.004 19.755 1.00 0.13 O ATOM 444 CB MET A 27 37.002 31.944 19.851 1.00 0.18 C ATOM 445 CG MET A 27 38.091 32.502 18.925 1.00 0.19 C ATOM 446 SD MET A 27 39.095 31.142 18.271 1.00 1.17 S ATOM 447 CE MET A 27 39.910 30.665 19.817 1.00 0.31 C ATOM 0 H MET A 27 34.972 33.173 18.963 1.00 0.12 H new ATOM 0 HA MET A 27 36.376 30.773 18.156 1.00 0.13 H new ATOM 0 HB2 MET A 27 36.567 32.750 20.443 1.00 0.18 H new ATOM 0 HB3 MET A 27 37.438 31.233 20.553 1.00 0.18 H new ATOM 0 HG2 MET A 27 37.635 33.057 18.105 1.00 0.19 H new ATOM 0 HG3 MET A 27 38.722 33.202 19.472 1.00 0.19 H new ATOM 0 HE1 MET A 27 40.910 30.290 19.600 1.00 0.31 H new ATOM 0 HE2 MET A 27 39.981 31.532 20.473 1.00 0.31 H new ATOM 0 HE3 MET A 27 39.329 29.885 20.309 1.00 0.31 H new ATOM 457 N PRO A 28 34.165 30.497 20.624 1.00 0.10 N ATOM 458 CA PRO A 28 33.444 29.486 21.434 1.00 0.09 C ATOM 459 C PRO A 28 32.823 28.397 20.546 1.00 0.10 C ATOM 460 O PRO A 28 32.567 27.300 20.994 1.00 0.19 O ATOM 461 CB PRO A 28 32.358 30.287 22.186 1.00 0.09 C ATOM 462 CG PRO A 28 32.707 31.785 22.007 1.00 0.11 C ATOM 463 CD PRO A 28 33.647 31.877 20.792 1.00 0.11 C ATOM 0 HA PRO A 28 34.110 28.959 22.118 1.00 0.09 H new ATOM 0 HB2 PRO A 28 31.368 30.069 21.784 1.00 0.09 H new ATOM 0 HB3 PRO A 28 32.340 30.017 23.242 1.00 0.09 H new ATOM 0 HG2 PRO A 28 31.806 32.376 21.845 1.00 0.11 H new ATOM 0 HG3 PRO A 28 33.190 32.180 22.901 1.00 0.11 H new ATOM 0 HD2 PRO A 28 33.115 32.213 19.902 1.00 0.11 H new ATOM 0 HD3 PRO A 28 34.455 32.587 20.967 1.00 0.11 H new ATOM 471 N LEU A 29 32.574 28.679 19.297 1.00 0.11 N ATOM 472 CA LEU A 29 31.975 27.634 18.415 1.00 0.09 C ATOM 473 C LEU A 29 33.095 26.741 17.883 1.00 0.10 C ATOM 474 O LEU A 29 33.070 25.539 18.053 1.00 0.19 O ATOM 475 CB LEU A 29 31.219 28.295 17.260 1.00 0.08 C ATOM 476 CG LEU A 29 30.213 29.306 17.824 1.00 0.08 C ATOM 477 CD1 LEU A 29 29.503 30.017 16.668 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.179 28.576 18.700 1.00 0.08 C ATOM 0 H LEU A 29 32.757 29.578 18.851 1.00 0.11 H new ATOM 0 HA LEU A 29 31.267 27.029 18.981 1.00 0.09 H new ATOM 0 HB2 LEU A 29 31.919 28.796 16.592 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.700 27.539 16.670 1.00 0.08 H new ATOM 0 HG LEU A 29 30.740 30.041 18.432 1.00 0.08 H new ATOM 0 HD11 LEU A 29 28.788 30.736 17.067 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.238 30.539 16.055 1.00 0.09 H new ATOM 0 HD13 LEU A 29 28.977 29.283 16.057 1.00 0.09 H new ATOM 0 HD21 LEU A 29 28.466 29.297 19.099 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.650 27.837 18.099 1.00 0.08 H new ATOM 0 HD23 LEU A 29 29.688 28.076 19.524 1.00 0.08 H new ATOM 490 N MET A 30 34.096 27.312 17.269 1.00 0.10 N ATOM 491 CA MET A 30 35.220 26.477 16.769 1.00 0.12 C ATOM 492 C MET A 30 35.734 25.629 17.933 1.00 0.10 C ATOM 493 O MET A 30 36.427 24.647 17.752 1.00 0.11 O ATOM 494 CB MET A 30 36.347 27.384 16.274 1.00 0.16 C ATOM 495 CG MET A 30 35.834 28.302 15.169 1.00 0.19 C ATOM 496 SD MET A 30 35.313 27.304 13.750 1.00 1.16 S ATOM 497 CE MET A 30 33.698 28.074 13.492 1.00 0.20 C ATOM 0 H MET A 30 34.182 28.313 17.094 1.00 0.10 H new ATOM 0 HA MET A 30 34.884 25.841 15.950 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.735 27.979 17.101 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.174 26.779 15.901 1.00 0.16 H new ATOM 0 HG2 MET A 30 34.998 28.898 15.535 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.616 29.000 14.869 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.300 27.768 12.525 1.00 0.20 H new ATOM 0 HE2 MET A 30 33.015 27.760 14.281 1.00 0.20 H new ATOM 0 HE3 MET A 30 33.804 29.159 13.514 1.00 0.20 H new ATOM 507 N TYR A 31 35.395 26.019 19.133 1.00 0.09 N ATOM 508 CA TYR A 31 35.847 25.268 20.336 1.00 0.09 C ATOM 509 C TYR A 31 35.008 23.994 20.491 1.00 0.09 C ATOM 510 O TYR A 31 35.533 22.901 20.572 1.00 0.10 O ATOM 511 CB TYR A 31 35.679 26.168 21.568 1.00 0.09 C ATOM 512 CG TYR A 31 35.887 25.376 22.836 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.166 25.265 23.391 1.00 0.11 C ATOM 514 CD2 TYR A 31 34.797 24.758 23.458 1.00 0.10 C ATOM 515 CE1 TYR A 31 37.356 24.533 24.568 1.00 0.12 C ATOM 516 CE2 TYR A 31 34.985 24.026 24.635 1.00 0.11 C ATOM 517 CZ TYR A 31 36.266 23.912 25.191 1.00 0.12 C ATOM 518 OH TYR A 31 36.454 23.189 26.351 1.00 0.14 O ATOM 0 H TYR A 31 34.817 26.836 19.331 1.00 0.09 H new ATOM 0 HA TYR A 31 36.894 24.984 20.232 1.00 0.09 H new ATOM 0 HB2 TYR A 31 36.393 26.990 21.525 1.00 0.09 H new ATOM 0 HB3 TYR A 31 34.683 26.611 21.569 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.007 25.744 22.911 1.00 0.11 H new ATOM 0 HD2 TYR A 31 33.810 24.846 23.029 1.00 0.10 H new ATOM 0 HE1 TYR A 31 38.344 24.447 24.996 1.00 0.12 H new ATOM 0 HE2 TYR A 31 34.143 23.549 25.115 1.00 0.11 H new ATOM 0 HH TYR A 31 35.595 22.825 26.653 1.00 0.14 H new ATOM 528 N VAL A 32 33.708 24.123 20.529 1.00 0.09 N ATOM 529 CA VAL A 32 32.847 22.915 20.675 1.00 0.09 C ATOM 530 C VAL A 32 33.103 21.966 19.499 1.00 0.09 C ATOM 531 O VAL A 32 33.368 20.795 19.680 1.00 0.12 O ATOM 532 CB VAL A 32 31.372 23.335 20.699 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.490 22.095 20.890 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.140 24.317 21.860 1.00 0.12 C ATOM 0 H VAL A 32 33.208 25.010 20.465 1.00 0.09 H new ATOM 0 HA VAL A 32 33.085 22.404 21.608 1.00 0.09 H new ATOM 0 HB VAL A 32 31.115 23.819 19.757 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.442 22.393 20.907 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.656 21.400 20.067 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.744 21.609 21.832 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.092 24.617 21.879 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.396 23.833 22.803 1.00 0.12 H new ATOM 0 HG23 VAL A 32 31.767 25.198 21.722 1.00 0.12 H new ATOM 544 N ILE A 33 33.034 22.463 18.294 1.00 0.09 N ATOM 545 CA ILE A 33 33.281 21.596 17.105 1.00 0.09 C ATOM 546 C ILE A 33 34.540 20.734 17.340 1.00 0.10 C ATOM 547 O ILE A 33 34.457 19.526 17.443 1.00 0.11 O ATOM 548 CB ILE A 33 33.439 22.508 15.876 1.00 0.09 C ATOM 549 CG1 ILE A 33 32.158 23.354 15.745 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.644 21.677 14.601 1.00 0.10 C ATOM 551 CD1 ILE A 33 32.205 24.239 14.491 1.00 0.09 C ATOM 0 H ILE A 33 32.816 23.436 18.080 1.00 0.09 H new ATOM 0 HA ILE A 33 32.447 20.914 16.939 1.00 0.09 H new ATOM 0 HB ILE A 33 34.313 23.147 16.003 1.00 0.09 H new ATOM 0 HG12 ILE A 33 31.289 22.698 15.698 1.00 0.10 H new ATOM 0 HG13 ILE A 33 32.039 23.979 16.630 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.753 22.344 13.746 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.543 21.069 14.704 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.782 21.028 14.447 1.00 0.10 H new ATOM 0 HD11 ILE A 33 31.288 24.825 14.424 1.00 0.09 H new ATOM 0 HD12 ILE A 33 33.061 24.911 14.552 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.299 23.611 13.605 1.00 0.09 H new ATOM 563 N LEU A 34 35.699 21.336 17.434 1.00 0.10 N ATOM 564 CA LEU A 34 36.948 20.539 17.671 1.00 0.11 C ATOM 565 C LEU A 34 36.751 19.616 18.890 1.00 0.13 C ATOM 566 O LEU A 34 37.287 18.527 18.939 1.00 0.20 O ATOM 567 CB LEU A 34 38.119 21.530 17.936 1.00 0.09 C ATOM 568 CG LEU A 34 39.093 21.732 16.718 1.00 0.09 C ATOM 569 CD1 LEU A 34 38.453 21.403 15.356 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.566 23.193 16.703 1.00 0.10 C ATOM 0 H LEU A 34 35.837 22.344 17.357 1.00 0.10 H new ATOM 0 HA LEU A 34 37.173 19.922 16.801 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.703 22.498 18.216 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.695 21.172 18.789 1.00 0.09 H new ATOM 0 HG LEU A 34 39.922 21.037 16.854 1.00 0.09 H new ATOM 0 HD11 LEU A 34 39.183 21.565 14.563 1.00 0.10 H new ATOM 0 HD12 LEU A 34 38.132 20.361 15.347 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.591 22.050 15.194 1.00 0.10 H new ATOM 0 HD21 LEU A 34 40.243 23.348 15.863 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.705 23.853 16.602 1.00 0.10 H new ATOM 0 HD23 LEU A 34 40.087 23.416 17.634 1.00 0.10 H new ATOM 582 N LYS A 35 36.008 20.037 19.873 1.00 0.12 N ATOM 583 CA LYS A 35 35.813 19.170 21.073 1.00 0.15 C ATOM 584 C LYS A 35 35.181 17.836 20.665 1.00 0.21 C ATOM 585 O LYS A 35 35.500 16.798 21.209 1.00 0.29 O ATOM 586 CB LYS A 35 34.900 19.884 22.077 1.00 0.13 C ATOM 587 CG LYS A 35 35.027 19.223 23.452 1.00 0.17 C ATOM 588 CD LYS A 35 34.048 19.881 24.426 1.00 0.26 C ATOM 589 CE LYS A 35 34.343 19.402 25.849 1.00 0.80 C ATOM 590 NZ LYS A 35 34.579 17.931 25.837 1.00 1.49 N ATOM 0 H LYS A 35 35.529 20.937 19.901 1.00 0.12 H new ATOM 0 HA LYS A 35 36.783 18.976 21.532 1.00 0.15 H new ATOM 0 HB2 LYS A 35 35.170 20.938 22.143 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.865 19.841 21.737 1.00 0.13 H new ATOM 0 HG2 LYS A 35 34.818 18.156 23.375 1.00 0.17 H new ATOM 0 HG3 LYS A 35 36.047 19.322 23.822 1.00 0.17 H new ATOM 0 HD2 LYS A 35 34.137 20.966 24.370 1.00 0.26 H new ATOM 0 HD3 LYS A 35 33.023 19.631 24.152 1.00 0.26 H new ATOM 0 HE2 LYS A 35 35.218 19.919 26.244 1.00 0.80 H new ATOM 0 HE3 LYS A 35 33.507 19.642 26.506 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 34.444 17.550 26.795 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 33.907 17.477 25.186 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 35.551 17.738 25.522 1.00 1.49 H new ATOM 604 N ASP A 36 34.279 17.852 19.721 1.00 0.24 N ATOM 605 CA ASP A 36 33.619 16.582 19.291 1.00 0.32 C ATOM 606 C ASP A 36 34.444 15.892 18.204 1.00 0.26 C ATOM 607 O ASP A 36 34.560 14.683 18.172 1.00 0.36 O ATOM 608 CB ASP A 36 32.230 16.904 18.743 1.00 0.42 C ATOM 609 CG ASP A 36 31.594 17.991 19.602 1.00 0.84 C ATOM 610 OD1 ASP A 36 31.607 17.844 20.813 1.00 1.56 O ATOM 611 OD2 ASP A 36 31.105 18.955 19.037 1.00 1.42 O ATOM 0 H ASP A 36 33.969 18.689 19.228 1.00 0.24 H new ATOM 0 HA ASP A 36 33.540 15.914 20.148 1.00 0.32 H new ATOM 0 HB2 ASP A 36 32.302 17.237 17.708 1.00 0.42 H new ATOM 0 HB3 ASP A 36 31.607 16.009 18.747 1.00 0.42 H new ATOM 616 N ALA A 37 35.000 16.648 17.303 1.00 0.18 N ATOM 617 CA ALA A 37 35.794 16.035 16.208 1.00 0.17 C ATOM 618 C ALA A 37 37.159 15.609 16.735 1.00 0.16 C ATOM 619 O ALA A 37 38.152 15.686 16.039 1.00 0.21 O ATOM 620 CB ALA A 37 35.983 17.073 15.107 1.00 0.19 C ATOM 0 H ALA A 37 34.938 17.666 17.278 1.00 0.18 H new ATOM 0 HA ALA A 37 35.273 15.160 15.820 1.00 0.17 H new ATOM 0 HB1 ALA A 37 36.565 16.639 14.294 1.00 0.19 H new ATOM 0 HB2 ALA A 37 35.009 17.385 14.730 1.00 0.19 H new ATOM 0 HB3 ALA A 37 36.510 17.938 15.509 1.00 0.19 H new ATOM 626 N ASP A 38 37.230 15.173 17.959 1.00 0.18 N ATOM 627 CA ASP A 38 38.548 14.766 18.506 1.00 0.20 C ATOM 628 C ASP A 38 39.523 15.922 18.289 1.00 0.18 C ATOM 629 O ASP A 38 40.727 15.767 18.346 1.00 0.22 O ATOM 630 CB ASP A 38 39.035 13.513 17.763 1.00 0.25 C ATOM 631 CG ASP A 38 40.016 12.732 18.642 1.00 1.00 C ATOM 632 OD1 ASP A 38 41.183 13.089 18.654 1.00 1.65 O ATOM 633 OD2 ASP A 38 39.584 11.792 19.288 1.00 1.82 O ATOM 0 H ASP A 38 36.440 15.082 18.598 1.00 0.18 H new ATOM 0 HA ASP A 38 38.476 14.536 19.569 1.00 0.20 H new ATOM 0 HB2 ASP A 38 38.186 12.882 17.502 1.00 0.25 H new ATOM 0 HB3 ASP A 38 39.519 13.799 16.829 1.00 0.25 H new ATOM 638 N ALA A 39 38.986 17.078 18.022 1.00 0.14 N ATOM 639 CA ALA A 39 39.825 18.272 17.772 1.00 0.14 C ATOM 640 C ALA A 39 40.612 18.074 16.475 1.00 0.14 C ATOM 641 O ALA A 39 41.502 18.836 16.154 1.00 0.16 O ATOM 642 CB ALA A 39 40.779 18.494 18.943 1.00 0.16 C ATOM 0 H ALA A 39 37.981 17.245 17.966 1.00 0.14 H new ATOM 0 HA ALA A 39 39.188 19.151 17.674 1.00 0.14 H new ATOM 0 HB1 ALA A 39 41.392 19.374 18.751 1.00 0.16 H new ATOM 0 HB2 ALA A 39 40.204 18.645 19.857 1.00 0.16 H new ATOM 0 HB3 ALA A 39 41.422 17.622 19.059 1.00 0.16 H new ATOM 648 N ASN A 40 40.280 17.060 15.721 1.00 0.14 N ATOM 649 CA ASN A 40 40.999 16.823 14.438 1.00 0.16 C ATOM 650 C ASN A 40 40.448 17.811 13.405 1.00 0.14 C ATOM 651 O ASN A 40 39.407 17.598 12.816 1.00 0.15 O ATOM 652 CB ASN A 40 40.775 15.358 13.979 1.00 0.20 C ATOM 653 CG ASN A 40 42.106 14.713 13.566 1.00 0.78 C ATOM 654 OD1 ASN A 40 42.630 13.870 14.269 1.00 1.77 O ATOM 655 ND2 ASN A 40 42.675 15.075 12.449 1.00 1.19 N ATOM 0 H ASN A 40 39.544 16.388 15.938 1.00 0.14 H new ATOM 0 HA ASN A 40 42.072 16.975 14.556 1.00 0.16 H new ATOM 0 HB2 ASN A 40 40.321 14.783 14.786 1.00 0.20 H new ATOM 0 HB3 ASN A 40 40.078 15.336 13.141 1.00 0.20 H new ATOM 0 HD21 ASN A 40 43.559 14.651 12.166 1.00 1.19 H new ATOM 0 HD22 ASN A 40 42.236 15.782 11.859 1.00 1.19 H new ATOM 662 N ILE A 41 41.130 18.899 13.208 1.00 0.13 N ATOM 663 CA ILE A 41 40.652 19.925 12.245 1.00 0.12 C ATOM 664 C ILE A 41 40.182 19.269 10.944 1.00 0.13 C ATOM 665 O ILE A 41 39.100 19.548 10.468 1.00 0.14 O ATOM 666 CB ILE A 41 41.791 20.923 11.988 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.882 21.856 13.209 1.00 0.13 C ATOM 668 CG2 ILE A 41 41.523 21.729 10.699 1.00 0.15 C ATOM 669 CD1 ILE A 41 43.038 22.837 13.045 1.00 0.16 C ATOM 0 H ILE A 41 42.007 19.125 13.677 1.00 0.13 H new ATOM 0 HA ILE A 41 39.796 20.456 12.663 1.00 0.12 H new ATOM 0 HB ILE A 41 42.735 20.395 11.850 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.947 22.403 13.327 1.00 0.13 H new ATOM 0 HG13 ILE A 41 42.023 21.267 14.115 1.00 0.13 H new ATOM 0 HG21 ILE A 41 42.340 22.431 10.532 1.00 0.15 H new ATOM 0 HG22 ILE A 41 41.452 21.047 9.852 1.00 0.15 H new ATOM 0 HG23 ILE A 41 40.587 22.279 10.802 1.00 0.15 H new ATOM 0 HD11 ILE A 41 43.088 23.489 13.917 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.973 22.285 12.951 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.880 23.439 12.150 1.00 0.16 H new ATOM 681 N GLU A 42 40.962 18.401 10.360 1.00 0.15 N ATOM 682 CA GLU A 42 40.513 17.753 9.097 1.00 0.16 C ATOM 683 C GLU A 42 39.102 17.211 9.304 1.00 0.16 C ATOM 684 O GLU A 42 38.212 17.447 8.513 1.00 0.19 O ATOM 685 CB GLU A 42 41.460 16.607 8.737 1.00 0.19 C ATOM 686 CG GLU A 42 42.877 17.155 8.556 1.00 0.26 C ATOM 687 CD GLU A 42 43.832 16.006 8.228 1.00 1.04 C ATOM 688 OE1 GLU A 42 43.387 14.870 8.238 1.00 1.67 O ATOM 689 OE2 GLU A 42 44.993 16.282 7.971 1.00 1.80 O ATOM 0 H GLU A 42 41.881 18.115 10.699 1.00 0.15 H new ATOM 0 HA GLU A 42 40.518 18.479 8.284 1.00 0.16 H new ATOM 0 HB2 GLU A 42 41.448 15.851 9.522 1.00 0.19 H new ATOM 0 HB3 GLU A 42 41.127 16.120 7.821 1.00 0.19 H new ATOM 0 HG2 GLU A 42 42.893 17.894 7.755 1.00 0.26 H new ATOM 0 HG3 GLU A 42 43.201 17.662 9.465 1.00 0.26 H new ATOM 696 N GLU A 43 38.889 16.508 10.378 1.00 0.15 N ATOM 697 CA GLU A 43 37.534 15.969 10.655 1.00 0.16 C ATOM 698 C GLU A 43 36.564 17.137 10.848 1.00 0.15 C ATOM 699 O GLU A 43 35.586 17.263 10.142 1.00 0.21 O ATOM 700 CB GLU A 43 37.572 15.114 11.922 1.00 0.18 C ATOM 701 CG GLU A 43 36.193 14.495 12.163 1.00 0.33 C ATOM 702 CD GLU A 43 36.263 13.537 13.353 1.00 1.21 C ATOM 703 OE1 GLU A 43 36.989 13.836 14.288 1.00 1.84 O ATOM 704 OE2 GLU A 43 35.589 12.521 13.311 1.00 1.95 O ATOM 0 H GLU A 43 39.597 16.283 11.077 1.00 0.15 H new ATOM 0 HA GLU A 43 37.203 15.352 9.819 1.00 0.16 H new ATOM 0 HB2 GLU A 43 38.322 14.329 11.821 1.00 0.18 H new ATOM 0 HB3 GLU A 43 37.862 15.725 12.777 1.00 0.18 H new ATOM 0 HG2 GLU A 43 35.460 15.278 12.356 1.00 0.33 H new ATOM 0 HG3 GLU A 43 35.862 13.961 11.272 1.00 0.33 H new ATOM 711 N ALA A 44 36.827 17.997 11.798 1.00 0.13 N ATOM 712 CA ALA A 44 35.913 19.154 12.031 1.00 0.14 C ATOM 713 C ALA A 44 35.720 19.939 10.733 1.00 0.16 C ATOM 714 O ALA A 44 34.612 20.139 10.277 1.00 0.20 O ATOM 715 CB ALA A 44 36.503 20.084 13.093 1.00 0.14 C ATOM 0 H ALA A 44 37.633 17.948 12.421 1.00 0.13 H new ATOM 0 HA ALA A 44 34.951 18.772 12.374 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.829 20.925 13.256 1.00 0.14 H new ATOM 0 HB2 ALA A 44 36.631 19.536 14.026 1.00 0.14 H new ATOM 0 HB3 ALA A 44 37.470 20.455 12.755 1.00 0.14 H new ATOM 721 N SER A 45 36.787 20.395 10.140 1.00 0.16 N ATOM 722 CA SER A 45 36.662 21.179 8.876 1.00 0.21 C ATOM 723 C SER A 45 35.707 20.464 7.917 1.00 0.20 C ATOM 724 O SER A 45 34.939 21.086 7.210 1.00 0.32 O ATOM 725 CB SER A 45 38.038 21.313 8.216 1.00 0.26 C ATOM 726 OG SER A 45 38.248 20.213 7.340 1.00 1.01 O ATOM 0 H SER A 45 37.741 20.260 10.474 1.00 0.16 H new ATOM 0 HA SER A 45 36.270 22.170 9.106 1.00 0.21 H new ATOM 0 HB2 SER A 45 38.099 22.250 7.663 1.00 0.26 H new ATOM 0 HB3 SER A 45 38.818 21.341 8.977 1.00 0.26 H new ATOM 0 HG SER A 45 38.276 19.382 7.859 1.00 1.01 H new ATOM 732 N ARG A 46 35.750 19.161 7.888 1.00 0.18 N ATOM 733 CA ARG A 46 34.848 18.406 6.976 1.00 0.20 C ATOM 734 C ARG A 46 33.408 18.488 7.498 1.00 0.16 C ATOM 735 O ARG A 46 32.460 18.301 6.760 1.00 0.22 O ATOM 736 CB ARG A 46 35.310 16.946 6.903 1.00 0.23 C ATOM 737 CG ARG A 46 36.634 16.868 6.121 1.00 0.85 C ATOM 738 CD ARG A 46 37.371 15.566 6.456 1.00 1.14 C ATOM 739 NE ARG A 46 36.598 14.408 5.924 1.00 1.59 N ATOM 740 CZ ARG A 46 37.159 13.234 5.830 1.00 2.17 C ATOM 741 NH1 ARG A 46 38.399 13.071 6.202 1.00 2.66 N ATOM 742 NH2 ARG A 46 36.479 12.223 5.363 1.00 2.87 N ATOM 0 H ARG A 46 36.372 18.586 8.457 1.00 0.18 H new ATOM 0 HA ARG A 46 34.883 18.838 5.976 1.00 0.20 H new ATOM 0 HB2 ARG A 46 35.444 16.545 7.908 1.00 0.23 H new ATOM 0 HB3 ARG A 46 34.550 16.336 6.415 1.00 0.23 H new ATOM 0 HG2 ARG A 46 36.436 16.917 5.050 1.00 0.85 H new ATOM 0 HG3 ARG A 46 37.262 17.724 6.368 1.00 0.85 H new ATOM 0 HD2 ARG A 46 38.371 15.580 6.023 1.00 1.14 H new ATOM 0 HD3 ARG A 46 37.492 15.471 7.535 1.00 1.14 H new ATOM 0 HE ARG A 46 35.629 14.534 5.633 1.00 1.59 H new ATOM 0 HH11 ARG A 46 38.930 13.862 6.567 1.00 2.66 H new ATOM 0 HH12 ARG A 46 38.837 12.153 6.128 1.00 2.66 H new ATOM 0 HH21 ARG A 46 35.510 12.351 5.072 1.00 2.87 H new ATOM 0 HH22 ARG A 46 36.917 11.305 5.289 1.00 2.87 H new ATOM 756 N ARG A 47 33.233 18.784 8.762 1.00 0.13 N ATOM 757 CA ARG A 47 31.850 18.898 9.318 1.00 0.13 C ATOM 758 C ARG A 47 31.269 20.252 8.917 1.00 0.11 C ATOM 759 O ARG A 47 30.260 20.340 8.246 1.00 0.13 O ATOM 760 CB ARG A 47 31.888 18.816 10.850 1.00 0.18 C ATOM 761 CG ARG A 47 32.402 17.446 11.294 1.00 0.49 C ATOM 762 CD ARG A 47 32.289 17.329 12.816 1.00 0.62 C ATOM 763 NE ARG A 47 32.641 15.944 13.230 1.00 0.81 N ATOM 764 CZ ARG A 47 32.905 15.682 14.480 1.00 1.20 C ATOM 765 NH1 ARG A 47 32.885 16.639 15.366 1.00 1.99 N ATOM 766 NH2 ARG A 47 33.194 14.462 14.844 1.00 1.63 N ATOM 0 H ARG A 47 33.985 18.951 9.430 1.00 0.13 H new ATOM 0 HA ARG A 47 31.238 18.085 8.927 1.00 0.13 H new ATOM 0 HB2 ARG A 47 32.532 19.600 11.247 1.00 0.18 H new ATOM 0 HB3 ARG A 47 30.891 18.987 11.255 1.00 0.18 H new ATOM 0 HG2 ARG A 47 31.825 16.656 10.814 1.00 0.49 H new ATOM 0 HG3 ARG A 47 33.439 17.317 10.984 1.00 0.49 H new ATOM 0 HD2 ARG A 47 32.955 18.045 13.298 1.00 0.62 H new ATOM 0 HD3 ARG A 47 31.276 17.570 13.137 1.00 0.62 H new ATOM 0 HE ARG A 47 32.676 15.198 12.535 1.00 0.81 H new ATOM 0 HH11 ARG A 47 32.663 17.593 15.081 1.00 1.99 H new ATOM 0 HH12 ARG A 47 33.092 16.433 16.343 1.00 1.99 H new ATOM 0 HH21 ARG A 47 33.213 13.714 14.151 1.00 1.63 H new ATOM 0 HH22 ARG A 47 33.401 14.257 15.822 1.00 1.63 H new ATOM 780 N ILE A 48 31.912 21.310 9.325 1.00 0.10 N ATOM 781 CA ILE A 48 31.426 22.677 8.980 1.00 0.10 C ATOM 782 C ILE A 48 31.079 22.733 7.496 1.00 0.11 C ATOM 783 O ILE A 48 29.981 23.087 7.118 1.00 0.13 O ATOM 784 CB ILE A 48 32.523 23.689 9.306 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.966 23.475 10.758 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.967 25.101 9.141 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.955 24.562 11.183 1.00 0.10 C ATOM 0 H ILE A 48 32.762 21.287 9.888 1.00 0.10 H new ATOM 0 HA ILE A 48 30.533 22.915 9.558 1.00 0.10 H new ATOM 0 HB ILE A 48 33.373 23.557 8.636 1.00 0.10 H new ATOM 0 HG12 ILE A 48 32.097 23.489 11.415 1.00 0.09 H new ATOM 0 HG13 ILE A 48 33.429 22.494 10.862 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.746 25.828 9.372 1.00 0.11 H new ATOM 0 HG22 ILE A 48 31.632 25.242 8.113 1.00 0.11 H new ATOM 0 HG23 ILE A 48 31.126 25.242 9.819 1.00 0.11 H new ATOM 0 HD11 ILE A 48 34.258 24.394 12.216 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.832 24.528 10.537 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.480 25.539 11.099 1.00 0.10 H new ATOM 799 N GLU A 49 32.002 22.373 6.652 1.00 0.11 N ATOM 800 CA GLU A 49 31.723 22.386 5.187 1.00 0.12 C ATOM 801 C GLU A 49 30.382 21.706 4.931 1.00 0.12 C ATOM 802 O GLU A 49 29.449 22.304 4.434 1.00 0.13 O ATOM 803 CB GLU A 49 32.806 21.595 4.471 1.00 0.13 C ATOM 804 CG GLU A 49 34.097 22.415 4.415 1.00 0.15 C ATOM 805 CD GLU A 49 33.957 23.529 3.374 1.00 0.17 C ATOM 806 OE1 GLU A 49 33.149 23.376 2.473 1.00 1.08 O ATOM 807 OE2 GLU A 49 34.662 24.517 3.497 1.00 1.09 O ATOM 0 H GLU A 49 32.940 22.069 6.912 1.00 0.11 H new ATOM 0 HA GLU A 49 31.702 23.414 4.825 1.00 0.12 H new ATOM 0 HB2 GLU A 49 32.985 20.654 4.990 1.00 0.13 H new ATOM 0 HB3 GLU A 49 32.479 21.345 3.462 1.00 0.13 H new ATOM 0 HG2 GLU A 49 34.309 22.844 5.394 1.00 0.15 H new ATOM 0 HG3 GLU A 49 34.938 21.770 4.160 1.00 0.15 H new ATOM 814 N GLU A 50 30.280 20.458 5.293 1.00 0.12 N ATOM 815 CA GLU A 50 28.998 19.733 5.102 1.00 0.13 C ATOM 816 C GLU A 50 27.905 20.563 5.753 1.00 0.12 C ATOM 817 O GLU A 50 26.743 20.443 5.442 1.00 0.12 O ATOM 818 CB GLU A 50 29.076 18.361 5.777 1.00 0.14 C ATOM 819 CG GLU A 50 27.850 17.530 5.393 1.00 0.17 C ATOM 820 CD GLU A 50 28.027 16.097 5.900 1.00 1.15 C ATOM 821 OE1 GLU A 50 28.863 15.896 6.767 1.00 2.03 O ATOM 822 OE2 GLU A 50 27.325 15.226 5.414 1.00 1.74 O ATOM 0 H GLU A 50 31.031 19.910 5.713 1.00 0.12 H new ATOM 0 HA GLU A 50 28.791 19.586 4.042 1.00 0.13 H new ATOM 0 HB2 GLU A 50 29.987 17.846 5.472 1.00 0.14 H new ATOM 0 HB3 GLU A 50 29.123 18.479 6.860 1.00 0.14 H new ATOM 0 HG2 GLU A 50 26.950 17.970 5.822 1.00 0.17 H new ATOM 0 HG3 GLU A 50 27.721 17.531 4.311 1.00 0.17 H new ATOM 829 N GLY A 51 28.290 21.423 6.650 1.00 0.11 N ATOM 830 CA GLY A 51 27.288 22.293 7.332 1.00 0.10 C ATOM 831 C GLY A 51 26.949 23.469 6.415 1.00 0.10 C ATOM 832 O GLY A 51 25.811 23.676 6.046 1.00 0.11 O ATOM 0 H GLY A 51 29.257 21.564 6.943 1.00 0.11 H new ATOM 0 HA2 GLY A 51 26.388 21.723 7.562 1.00 0.10 H new ATOM 0 HA3 GLY A 51 27.686 22.656 8.279 1.00 0.10 H new ATOM 836 N GLN A 52 27.939 24.230 6.031 1.00 0.10 N ATOM 837 CA GLN A 52 27.696 25.386 5.118 1.00 0.12 C ATOM 838 C GLN A 52 26.814 24.926 3.967 1.00 0.12 C ATOM 839 O GLN A 52 25.861 25.579 3.592 1.00 0.13 O ATOM 840 CB GLN A 52 29.036 25.880 4.574 1.00 0.14 C ATOM 841 CG GLN A 52 29.935 26.272 5.747 1.00 0.19 C ATOM 842 CD GLN A 52 29.430 27.577 6.361 1.00 0.42 C ATOM 843 OE1 GLN A 52 28.602 28.253 5.783 1.00 0.95 O ATOM 844 NE2 GLN A 52 29.896 27.963 7.517 1.00 0.39 N ATOM 0 H GLN A 52 28.911 24.100 6.312 1.00 0.10 H new ATOM 0 HA GLN A 52 27.202 26.195 5.656 1.00 0.12 H new ATOM 0 HB2 GLN A 52 29.512 25.100 3.979 1.00 0.14 H new ATOM 0 HB3 GLN A 52 28.883 26.735 3.915 1.00 0.14 H new ATOM 0 HG2 GLN A 52 29.937 25.481 6.497 1.00 0.19 H new ATOM 0 HG3 GLN A 52 30.964 26.392 5.407 1.00 0.19 H new ATOM 0 HE21 GLN A 52 30.591 27.395 8.002 1.00 0.39 H new ATOM 0 HE22 GLN A 52 29.565 28.832 7.936 1.00 0.39 H new ATOM 853 N TYR A 53 27.123 23.794 3.416 1.00 0.12 N ATOM 854 CA TYR A 53 26.301 23.267 2.293 1.00 0.13 C ATOM 855 C TYR A 53 24.861 23.037 2.787 1.00 0.13 C ATOM 856 O TYR A 53 23.910 23.444 2.150 1.00 0.15 O ATOM 857 CB TYR A 53 26.914 21.950 1.774 1.00 0.14 C ATOM 858 CG TYR A 53 25.879 21.168 0.992 1.00 0.15 C ATOM 859 CD1 TYR A 53 24.955 20.382 1.679 1.00 0.16 C ATOM 860 CD2 TYR A 53 25.835 21.242 -0.404 1.00 0.17 C ATOM 861 CE1 TYR A 53 23.981 19.665 0.982 1.00 0.18 C ATOM 862 CE2 TYR A 53 24.859 20.525 -1.110 1.00 0.19 C ATOM 863 CZ TYR A 53 23.930 19.737 -0.416 1.00 0.19 C ATOM 864 OH TYR A 53 22.968 19.031 -1.109 1.00 0.22 O ATOM 0 H TYR A 53 27.910 23.207 3.692 1.00 0.12 H new ATOM 0 HA TYR A 53 26.285 23.986 1.474 1.00 0.13 H new ATOM 0 HB2 TYR A 53 27.774 22.165 1.140 1.00 0.14 H new ATOM 0 HB3 TYR A 53 27.276 21.353 2.611 1.00 0.14 H new ATOM 0 HD1 TYR A 53 24.993 20.328 2.757 1.00 0.16 H new ATOM 0 HD2 TYR A 53 26.551 21.850 -0.937 1.00 0.17 H new ATOM 0 HE1 TYR A 53 23.269 19.056 1.519 1.00 0.18 H new ATOM 0 HE2 TYR A 53 24.823 20.580 -2.188 1.00 0.19 H new ATOM 0 HH TYR A 53 23.073 19.192 -2.070 1.00 0.22 H new ATOM 874 N VAL A 54 24.691 22.387 3.910 1.00 0.15 N ATOM 875 CA VAL A 54 23.307 22.140 4.419 1.00 0.14 C ATOM 876 C VAL A 54 22.544 23.464 4.467 1.00 0.14 C ATOM 877 O VAL A 54 21.560 23.657 3.781 1.00 0.15 O ATOM 878 CB VAL A 54 23.348 21.541 5.839 1.00 0.13 C ATOM 879 CG1 VAL A 54 21.909 21.391 6.348 1.00 0.14 C ATOM 880 CG2 VAL A 54 24.047 20.153 5.847 1.00 0.14 C ATOM 0 H VAL A 54 25.443 22.019 4.493 1.00 0.15 H new ATOM 0 HA VAL A 54 22.811 21.437 3.750 1.00 0.14 H new ATOM 0 HB VAL A 54 23.918 22.208 6.486 1.00 0.13 H new ATOM 0 HG11 VAL A 54 21.921 20.968 7.353 1.00 0.14 H new ATOM 0 HG12 VAL A 54 21.428 22.369 6.371 1.00 0.14 H new ATOM 0 HG13 VAL A 54 21.355 20.730 5.682 1.00 0.14 H new ATOM 0 HG21 VAL A 54 24.060 19.758 6.863 1.00 0.14 H new ATOM 0 HG22 VAL A 54 23.502 19.468 5.198 1.00 0.14 H new ATOM 0 HG23 VAL A 54 25.070 20.259 5.486 1.00 0.14 H new ATOM 890 N VAL A 55 22.994 24.373 5.283 1.00 0.15 N ATOM 891 CA VAL A 55 22.309 25.690 5.400 1.00 0.16 C ATOM 892 C VAL A 55 22.153 26.319 4.013 1.00 0.19 C ATOM 893 O VAL A 55 21.071 26.697 3.610 1.00 0.22 O ATOM 894 CB VAL A 55 23.149 26.609 6.291 1.00 0.19 C ATOM 895 CG1 VAL A 55 22.425 27.941 6.490 1.00 0.29 C ATOM 896 CG2 VAL A 55 23.362 25.936 7.650 1.00 0.13 C ATOM 0 H VAL A 55 23.814 24.260 5.879 1.00 0.15 H new ATOM 0 HA VAL A 55 21.321 25.552 5.839 1.00 0.16 H new ATOM 0 HB VAL A 55 24.113 26.793 5.816 1.00 0.19 H new ATOM 0 HG11 VAL A 55 23.027 28.591 7.125 1.00 0.29 H new ATOM 0 HG12 VAL A 55 22.271 28.420 5.523 1.00 0.29 H new ATOM 0 HG13 VAL A 55 21.460 27.763 6.964 1.00 0.29 H new ATOM 0 HG21 VAL A 55 23.960 26.586 8.288 1.00 0.13 H new ATOM 0 HG22 VAL A 55 22.396 25.753 8.121 1.00 0.13 H new ATOM 0 HG23 VAL A 55 23.882 24.988 7.509 1.00 0.13 H new ATOM 906 N ASN A 56 23.226 26.440 3.285 1.00 0.22 N ATOM 907 CA ASN A 56 23.145 27.051 1.927 1.00 0.27 C ATOM 908 C ASN A 56 22.088 26.323 1.091 1.00 0.26 C ATOM 909 O ASN A 56 21.204 26.933 0.523 1.00 0.33 O ATOM 910 CB ASN A 56 24.505 26.938 1.236 1.00 0.35 C ATOM 911 CG ASN A 56 25.488 27.915 1.883 1.00 0.71 C ATOM 912 OD1 ASN A 56 25.433 28.150 3.074 1.00 1.56 O ATOM 913 ND2 ASN A 56 26.391 28.500 1.144 1.00 0.90 N ATOM 0 H ASN A 56 24.159 26.142 3.571 1.00 0.22 H new ATOM 0 HA ASN A 56 22.868 28.101 2.022 1.00 0.27 H new ATOM 0 HB2 ASN A 56 24.882 25.919 1.317 1.00 0.35 H new ATOM 0 HB3 ASN A 56 24.404 27.157 0.173 1.00 0.35 H new ATOM 0 HD21 ASN A 56 27.050 29.154 1.566 1.00 0.90 H new ATOM 0 HD22 ASN A 56 26.438 28.303 0.144 1.00 0.90 H new ATOM 920 N GLU A 57 22.176 25.024 1.006 1.00 0.24 N ATOM 921 CA GLU A 57 21.180 24.260 0.200 1.00 0.26 C ATOM 922 C GLU A 57 19.776 24.490 0.765 1.00 0.25 C ATOM 923 O GLU A 57 18.884 24.936 0.072 1.00 0.32 O ATOM 924 CB GLU A 57 21.518 22.765 0.259 1.00 0.29 C ATOM 925 CG GLU A 57 20.766 22.011 -0.844 1.00 0.50 C ATOM 926 CD GLU A 57 19.271 21.976 -0.517 1.00 1.58 C ATOM 927 OE1 GLU A 57 18.944 21.817 0.647 1.00 2.31 O ATOM 928 OE2 GLU A 57 18.481 22.108 -1.437 1.00 2.37 O ATOM 0 H GLU A 57 22.894 24.458 1.459 1.00 0.24 H new ATOM 0 HA GLU A 57 21.212 24.601 -0.835 1.00 0.26 H new ATOM 0 HB2 GLU A 57 22.592 22.622 0.141 1.00 0.29 H new ATOM 0 HB3 GLU A 57 21.248 22.361 1.235 1.00 0.29 H new ATOM 0 HG2 GLU A 57 20.927 22.498 -1.806 1.00 0.50 H new ATOM 0 HG3 GLU A 57 21.153 20.996 -0.933 1.00 0.50 H new ATOM 1388 N VAL B 8 13.067 19.540 10.960 1.00 0.33 N ATOM 1389 CA VAL B 8 13.082 19.709 12.441 1.00 0.39 C ATOM 1390 C VAL B 8 14.511 19.985 12.919 1.00 0.36 C ATOM 1391 O VAL B 8 14.742 20.851 13.737 1.00 0.48 O ATOM 1392 CB VAL B 8 12.556 18.440 13.114 1.00 0.50 C ATOM 1393 CG1 VAL B 8 12.478 18.665 14.625 1.00 0.98 C ATOM 1394 CG2 VAL B 8 11.158 18.118 12.580 1.00 1.19 C ATOM 0 HA VAL B 8 12.443 20.551 12.708 1.00 0.39 H new ATOM 0 HB VAL B 8 13.228 17.610 12.898 1.00 0.50 H new ATOM 0 HG11 VAL B 8 12.103 17.763 15.108 1.00 0.98 H new ATOM 0 HG12 VAL B 8 13.471 18.897 15.010 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.804 19.495 14.835 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.784 17.214 13.060 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.486 18.948 12.797 1.00 1.19 H new ATOM 0 HG23 VAL B 8 11.207 17.963 11.502 1.00 1.19 H new ATOM 1404 N PHE B 9 15.474 19.261 12.418 1.00 0.28 N ATOM 1405 CA PHE B 9 16.880 19.498 12.855 1.00 0.27 C ATOM 1406 C PHE B 9 17.190 20.991 12.759 1.00 0.25 C ATOM 1407 O PHE B 9 17.671 21.595 13.696 1.00 0.32 O ATOM 1408 CB PHE B 9 17.836 18.715 11.950 1.00 0.26 C ATOM 1409 CG PHE B 9 19.199 18.642 12.599 1.00 0.21 C ATOM 1410 CD1 PHE B 9 20.034 19.767 12.602 1.00 0.23 C ATOM 1411 CD2 PHE B 9 19.627 17.452 13.201 1.00 0.18 C ATOM 1412 CE1 PHE B 9 21.294 19.701 13.204 1.00 0.23 C ATOM 1413 CE2 PHE B 9 20.888 17.388 13.803 1.00 0.18 C ATOM 1414 CZ PHE B 9 21.721 18.512 13.804 1.00 0.20 C ATOM 0 H PHE B 9 15.350 18.519 11.729 1.00 0.28 H new ATOM 0 HA PHE B 9 17.006 19.164 13.885 1.00 0.27 H new ATOM 0 HB2 PHE B 9 17.449 17.711 11.777 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.911 19.199 10.976 1.00 0.26 H new ATOM 0 HD1 PHE B 9 19.704 20.685 12.139 1.00 0.23 H new ATOM 0 HD2 PHE B 9 18.984 16.584 13.200 1.00 0.18 H new ATOM 0 HE1 PHE B 9 21.938 20.568 13.206 1.00 0.23 H new ATOM 0 HE2 PHE B 9 21.219 16.471 14.267 1.00 0.18 H new ATOM 0 HZ PHE B 9 22.695 18.461 14.269 1.00 0.20 H new ATOM 1424 N LEU B 10 16.908 21.594 11.639 1.00 0.23 N ATOM 1425 CA LEU B 10 17.180 23.050 11.501 1.00 0.23 C ATOM 1426 C LEU B 10 16.345 23.808 12.532 1.00 0.24 C ATOM 1427 O LEU B 10 16.768 24.809 13.076 1.00 0.28 O ATOM 1428 CB LEU B 10 16.804 23.521 10.094 1.00 0.25 C ATOM 1429 CG LEU B 10 17.390 22.570 9.043 1.00 0.24 C ATOM 1430 CD1 LEU B 10 17.242 23.203 7.661 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.877 22.324 9.326 1.00 0.23 C ATOM 0 H LEU B 10 16.503 21.145 10.818 1.00 0.23 H new ATOM 0 HA LEU B 10 18.240 23.240 11.666 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.719 23.562 9.994 1.00 0.25 H new ATOM 0 HB3 LEU B 10 17.177 24.532 9.929 1.00 0.25 H new ATOM 0 HG LEU B 10 16.857 21.620 9.081 1.00 0.24 H new ATOM 0 HD11 LEU B 10 17.656 22.533 6.908 1.00 0.30 H new ATOM 0 HD12 LEU B 10 16.186 23.376 7.451 1.00 0.30 H new ATOM 0 HD13 LEU B 10 17.777 24.152 7.636 1.00 0.30 H new ATOM 0 HD21 LEU B 10 19.283 21.648 8.574 1.00 0.23 H new ATOM 0 HD22 LEU B 10 19.416 23.271 9.291 1.00 0.23 H new ATOM 0 HD23 LEU B 10 18.990 21.878 10.314 1.00 0.23 H new ATOM 1443 N ASP B 11 15.161 23.334 12.812 1.00 0.23 N ATOM 1444 CA ASP B 11 14.304 24.025 13.815 1.00 0.25 C ATOM 1445 C ASP B 11 15.095 24.179 15.114 1.00 0.22 C ATOM 1446 O ASP B 11 15.292 25.271 15.605 1.00 0.30 O ATOM 1447 CB ASP B 11 13.035 23.203 14.078 1.00 0.30 C ATOM 1448 CG ASP B 11 11.981 24.088 14.747 1.00 0.97 C ATOM 1449 OD1 ASP B 11 11.874 25.241 14.363 1.00 1.67 O ATOM 1450 OD2 ASP B 11 11.300 23.598 15.633 1.00 1.67 O ATOM 0 H ASP B 11 14.752 22.500 12.390 1.00 0.23 H new ATOM 0 HA ASP B 11 14.014 25.005 13.436 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.647 22.803 13.141 1.00 0.30 H new ATOM 0 HB3 ASP B 11 13.267 22.351 14.716 1.00 0.30 H new ATOM 1455 N TYR B 12 15.562 23.092 15.669 1.00 0.17 N ATOM 1456 CA TYR B 12 16.350 23.187 16.929 1.00 0.15 C ATOM 1457 C TYR B 12 17.461 24.219 16.735 1.00 0.16 C ATOM 1458 O TYR B 12 17.615 25.142 17.510 1.00 0.23 O ATOM 1459 CB TYR B 12 16.974 21.820 17.254 1.00 0.14 C ATOM 1460 CG TYR B 12 15.895 20.829 17.665 1.00 0.17 C ATOM 1461 CD1 TYR B 12 15.067 21.095 18.767 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.728 19.637 16.944 1.00 0.20 C ATOM 1463 CE1 TYR B 12 14.080 20.175 19.141 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.740 18.720 17.321 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.917 18.989 18.419 1.00 0.27 C ATOM 1466 OH TYR B 12 12.943 18.084 18.790 1.00 0.32 O ATOM 0 H TYR B 12 15.432 22.148 15.305 1.00 0.17 H new ATOM 0 HA TYR B 12 15.699 23.487 17.750 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.511 21.442 16.384 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.703 21.928 18.057 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.191 22.010 19.327 1.00 0.23 H new ATOM 0 HD2 TYR B 12 16.363 19.427 16.096 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.444 20.382 19.989 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.613 17.804 16.763 1.00 0.24 H new ATOM 0 HH TYR B 12 12.963 17.315 18.183 1.00 0.32 H new ATOM 1476 N CYS B 13 18.227 24.062 15.694 1.00 0.19 N ATOM 1477 CA CYS B 13 19.335 25.013 15.403 1.00 0.24 C ATOM 1478 C CYS B 13 18.852 26.456 15.618 1.00 0.26 C ATOM 1479 O CYS B 13 19.511 27.253 16.255 1.00 0.33 O ATOM 1480 CB CYS B 13 19.783 24.802 13.942 1.00 0.30 C ATOM 1481 SG CYS B 13 21.590 24.812 13.836 1.00 1.27 S ATOM 0 H CYS B 13 18.131 23.302 15.021 1.00 0.19 H new ATOM 0 HA CYS B 13 20.176 24.834 16.073 1.00 0.24 H new ATOM 0 HB2 CYS B 13 19.395 23.855 13.568 1.00 0.30 H new ATOM 0 HB3 CYS B 13 19.370 25.588 13.310 1.00 0.30 H new ATOM 0 HG CYS B 13 22.080 23.980 14.706 1.00 1.27 H new ATOM 1487 N GLN B 14 17.706 26.792 15.092 1.00 0.24 N ATOM 1488 CA GLN B 14 17.184 28.173 15.266 1.00 0.27 C ATOM 1489 C GLN B 14 17.239 28.550 16.748 1.00 0.24 C ATOM 1490 O GLN B 14 17.837 29.536 17.123 1.00 0.29 O ATOM 1491 CB GLN B 14 15.739 28.227 14.766 1.00 0.32 C ATOM 1492 CG GLN B 14 15.218 29.664 14.816 1.00 0.62 C ATOM 1493 CD GLN B 14 16.012 30.545 13.847 1.00 0.88 C ATOM 1494 OE1 GLN B 14 16.693 29.989 12.882 1.00 1.69 O flip ATOM 1495 NE2 GLN B 14 16.013 31.753 13.970 1.00 1.44 N flip ATOM 0 H GLN B 14 17.109 26.168 14.549 1.00 0.24 H new ATOM 0 HA GLN B 14 17.790 28.877 14.696 1.00 0.27 H new ATOM 0 HB2 GLN B 14 15.685 27.848 13.746 1.00 0.32 H new ATOM 0 HB3 GLN B 14 15.110 27.582 15.379 1.00 0.32 H new ATOM 0 HG2 GLN B 14 14.160 29.685 14.555 1.00 0.62 H new ATOM 0 HG3 GLN B 14 15.304 30.055 15.830 1.00 0.62 H new ATOM 0 HE21 GLN B 14 15.482 32.189 14.723 1.00 1.44 H new ATOM 0 HE22 GLN B 14 16.545 32.331 13.320 1.00 1.44 H new ATOM 1504 N LYS B 15 16.631 27.767 17.597 1.00 0.23 N ATOM 1505 CA LYS B 15 16.667 28.087 19.053 1.00 0.23 C ATOM 1506 C LYS B 15 18.113 28.368 19.466 1.00 0.20 C ATOM 1507 O LYS B 15 18.419 29.391 20.047 1.00 0.23 O ATOM 1508 CB LYS B 15 16.127 26.896 19.846 1.00 0.24 C ATOM 1509 CG LYS B 15 14.635 26.729 19.555 1.00 0.55 C ATOM 1510 CD LYS B 15 14.133 25.411 20.158 1.00 1.19 C ATOM 1511 CE LYS B 15 14.241 25.458 21.686 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.340 24.429 22.278 1.00 2.21 N ATOM 0 H LYS B 15 16.114 26.924 17.348 1.00 0.23 H new ATOM 0 HA LYS B 15 16.052 28.964 19.256 1.00 0.23 H new ATOM 0 HB2 LYS B 15 16.666 25.989 19.574 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.286 27.053 20.913 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.077 27.567 19.974 1.00 0.55 H new ATOM 0 HG3 LYS B 15 14.462 26.737 18.479 1.00 0.55 H new ATOM 0 HD2 LYS B 15 13.098 25.238 19.864 1.00 1.19 H new ATOM 0 HD3 LYS B 15 14.718 24.578 19.769 1.00 1.19 H new ATOM 0 HE2 LYS B 15 15.271 25.277 21.995 1.00 1.47 H new ATOM 0 HE3 LYS B 15 13.969 26.449 22.050 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 13.412 24.460 23.315 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 12.358 24.622 21.993 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 13.620 23.486 21.939 1.00 2.21 H new ATOM 1526 N LEU B 16 19.005 27.468 19.157 1.00 0.18 N ATOM 1527 CA LEU B 16 20.438 27.671 19.510 1.00 0.17 C ATOM 1528 C LEU B 16 20.924 28.981 18.876 1.00 0.18 C ATOM 1529 O LEU B 16 21.901 29.565 19.301 1.00 0.23 O ATOM 1530 CB LEU B 16 21.248 26.467 18.964 1.00 0.15 C ATOM 1531 CG LEU B 16 22.205 25.911 20.033 1.00 0.15 C ATOM 1532 CD1 LEU B 16 21.415 25.174 21.136 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.189 24.949 19.359 1.00 0.18 C ATOM 0 H LEU B 16 18.801 26.594 18.672 1.00 0.18 H new ATOM 0 HA LEU B 16 20.570 27.735 20.590 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.565 25.682 18.640 1.00 0.15 H new ATOM 0 HB3 LEU B 16 21.817 26.776 18.087 1.00 0.15 H new ATOM 0 HG LEU B 16 22.749 26.734 20.498 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.108 24.787 21.883 1.00 0.25 H new ATOM 0 HD12 LEU B 16 20.719 25.867 21.610 1.00 0.25 H new ATOM 0 HD13 LEU B 16 20.859 24.347 20.694 1.00 0.25 H new ATOM 0 HD21 LEU B 16 23.874 24.547 20.106 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.638 24.131 18.894 1.00 0.18 H new ATOM 0 HD23 LEU B 16 23.756 25.483 18.597 1.00 0.18 H new ATOM 1545 N LEU B 17 20.252 29.435 17.854 1.00 0.17 N ATOM 1546 CA LEU B 17 20.669 30.694 17.176 1.00 0.19 C ATOM 1547 C LEU B 17 20.130 31.910 17.937 1.00 0.22 C ATOM 1548 O LEU B 17 20.881 32.755 18.381 1.00 0.30 O ATOM 1549 CB LEU B 17 20.111 30.692 15.745 1.00 0.19 C ATOM 1550 CG LEU B 17 20.904 31.676 14.861 1.00 0.22 C ATOM 1551 CD1 LEU B 17 22.211 31.025 14.374 1.00 0.14 C ATOM 1552 CD2 LEU B 17 20.065 32.080 13.639 1.00 0.33 C ATOM 0 H LEU B 17 19.427 28.985 17.457 1.00 0.17 H new ATOM 0 HA LEU B 17 21.757 30.752 17.154 1.00 0.19 H new ATOM 0 HB2 LEU B 17 20.169 29.688 15.326 1.00 0.19 H new ATOM 0 HB3 LEU B 17 19.057 30.971 15.758 1.00 0.19 H new ATOM 0 HG LEU B 17 21.138 32.559 15.457 1.00 0.22 H new ATOM 0 HD11 LEU B 17 22.760 31.732 13.751 1.00 0.14 H new ATOM 0 HD12 LEU B 17 22.822 30.748 15.233 1.00 0.14 H new ATOM 0 HD13 LEU B 17 21.978 30.133 13.792 1.00 0.14 H new ATOM 0 HD21 LEU B 17 20.634 32.775 13.021 1.00 0.33 H new ATOM 0 HD22 LEU B 17 19.821 31.192 13.056 1.00 0.33 H new ATOM 0 HD23 LEU B 17 19.145 32.560 13.972 1.00 0.33 H new ATOM 1564 N GLU B 18 18.836 32.012 18.086 1.00 0.20 N ATOM 1565 CA GLU B 18 18.267 33.183 18.810 1.00 0.24 C ATOM 1566 C GLU B 18 18.665 33.111 20.283 1.00 0.22 C ATOM 1567 O GLU B 18 18.986 34.109 20.897 1.00 0.26 O ATOM 1568 CB GLU B 18 16.741 33.186 18.682 1.00 0.30 C ATOM 1569 CG GLU B 18 16.179 31.815 19.059 1.00 1.05 C ATOM 1570 CD GLU B 18 14.663 31.812 18.858 1.00 1.67 C ATOM 1571 OE1 GLU B 18 13.980 32.448 19.644 1.00 2.17 O ATOM 1572 OE2 GLU B 18 14.210 31.175 17.921 1.00 2.29 O ATOM 0 H GLU B 18 18.153 31.339 17.739 1.00 0.20 H new ATOM 0 HA GLU B 18 18.658 34.102 18.374 1.00 0.24 H new ATOM 0 HB2 GLU B 18 16.316 33.953 19.330 1.00 0.30 H new ATOM 0 HB3 GLU B 18 16.455 33.437 17.661 1.00 0.30 H new ATOM 0 HG2 GLU B 18 16.639 31.040 18.446 1.00 1.05 H new ATOM 0 HG3 GLU B 18 16.419 31.585 20.097 1.00 1.05 H new ATOM 1579 N LYS B 19 18.657 31.939 20.855 1.00 0.19 N ATOM 1580 CA LYS B 19 19.046 31.816 22.286 1.00 0.20 C ATOM 1581 C LYS B 19 20.408 32.476 22.482 1.00 0.19 C ATOM 1582 O LYS B 19 20.585 33.316 23.342 1.00 0.26 O ATOM 1583 CB LYS B 19 19.122 30.338 22.672 1.00 0.21 C ATOM 1584 CG LYS B 19 19.264 30.211 24.189 1.00 0.29 C ATOM 1585 CD LYS B 19 19.647 28.774 24.542 1.00 0.33 C ATOM 1586 CE LYS B 19 19.885 28.661 26.049 1.00 0.95 C ATOM 1587 NZ LYS B 19 20.936 29.635 26.460 1.00 1.68 N ATOM 0 H LYS B 19 18.399 31.066 20.396 1.00 0.19 H new ATOM 0 HA LYS B 19 18.306 32.307 22.918 1.00 0.20 H new ATOM 0 HB2 LYS B 19 18.225 29.817 22.336 1.00 0.21 H new ATOM 0 HB3 LYS B 19 19.970 29.865 22.176 1.00 0.21 H new ATOM 0 HG2 LYS B 19 20.024 30.902 24.554 1.00 0.29 H new ATOM 0 HG3 LYS B 19 18.327 30.480 24.677 1.00 0.29 H new ATOM 0 HD2 LYS B 19 18.855 28.090 24.237 1.00 0.33 H new ATOM 0 HD3 LYS B 19 20.546 28.483 23.999 1.00 0.33 H new ATOM 0 HE2 LYS B 19 18.960 28.858 26.590 1.00 0.95 H new ATOM 0 HE3 LYS B 19 20.194 27.647 26.304 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 21.386 29.309 27.339 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 21.653 29.709 25.710 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 20.503 30.567 26.618 1.00 1.68 H new ATOM 1601 N PHE B 20 21.367 32.119 21.675 1.00 0.15 N ATOM 1602 CA PHE B 20 22.710 32.739 21.791 1.00 0.15 C ATOM 1603 C PHE B 20 22.696 34.047 20.998 1.00 0.16 C ATOM 1604 O PHE B 20 23.699 34.714 20.847 1.00 0.25 O ATOM 1605 CB PHE B 20 23.751 31.784 21.208 1.00 0.14 C ATOM 1606 CG PHE B 20 24.018 30.663 22.190 1.00 0.13 C ATOM 1607 CD1 PHE B 20 23.111 29.600 22.279 1.00 0.14 C ATOM 1608 CD2 PHE B 20 25.159 30.681 23.015 1.00 0.14 C ATOM 1609 CE1 PHE B 20 23.337 28.557 23.182 1.00 0.14 C ATOM 1610 CE2 PHE B 20 25.380 29.634 23.919 1.00 0.15 C ATOM 1611 CZ PHE B 20 24.469 28.574 24.002 1.00 0.14 C ATOM 0 H PHE B 20 21.275 31.421 20.937 1.00 0.15 H new ATOM 0 HA PHE B 20 22.958 32.939 22.833 1.00 0.15 H new ATOM 0 HB2 PHE B 20 23.395 31.375 20.262 1.00 0.14 H new ATOM 0 HB3 PHE B 20 24.675 32.322 20.995 1.00 0.14 H new ATOM 0 HD1 PHE B 20 22.234 29.586 21.648 1.00 0.14 H new ATOM 0 HD2 PHE B 20 25.861 31.499 22.951 1.00 0.14 H new ATOM 0 HE1 PHE B 20 22.637 27.737 23.246 1.00 0.14 H new ATOM 0 HE2 PHE B 20 26.254 29.644 24.553 1.00 0.15 H new ATOM 0 HZ PHE B 20 24.641 27.768 24.700 1.00 0.14 H new ATOM 1621 N ARG B 21 21.544 34.413 20.500 1.00 0.15 N ATOM 1622 CA ARG B 21 21.419 35.679 19.719 1.00 0.17 C ATOM 1623 C ARG B 21 22.478 35.745 18.611 1.00 0.14 C ATOM 1624 O ARG B 21 23.067 36.781 18.375 1.00 0.18 O ATOM 1625 CB ARG B 21 21.599 36.874 20.658 1.00 0.23 C ATOM 1626 CG ARG B 21 20.545 36.815 21.775 1.00 0.58 C ATOM 1627 CD ARG B 21 20.604 38.092 22.652 1.00 1.16 C ATOM 1628 NE ARG B 21 19.228 38.678 22.815 1.00 1.87 N ATOM 1629 CZ ARG B 21 18.483 38.984 21.785 1.00 2.62 C ATOM 1630 NH1 ARG B 21 18.953 38.870 20.573 1.00 2.94 N ATOM 1631 NH2 ARG B 21 17.271 39.432 21.972 1.00 3.56 N ATOM 0 H ARG B 21 20.677 33.885 20.602 1.00 0.15 H new ATOM 0 HA ARG B 21 20.431 35.706 19.260 1.00 0.17 H new ATOM 0 HB2 ARG B 21 22.600 36.864 21.088 1.00 0.23 H new ATOM 0 HB3 ARG B 21 21.501 37.806 20.100 1.00 0.23 H new ATOM 0 HG2 ARG B 21 19.551 36.713 21.339 1.00 0.58 H new ATOM 0 HG3 ARG B 21 20.713 35.934 22.395 1.00 0.58 H new ATOM 0 HD2 ARG B 21 21.022 37.851 23.629 1.00 1.16 H new ATOM 0 HD3 ARG B 21 21.267 38.826 22.194 1.00 1.16 H new ATOM 0 HE ARG B 21 18.866 38.841 23.755 1.00 1.87 H new ATOM 0 HH11 ARG B 21 19.907 38.540 20.425 1.00 2.94 H new ATOM 0 HH12 ARG B 21 18.366 39.110 19.774 1.00 2.94 H new ATOM 0 HH21 ARG B 21 16.908 39.542 22.919 1.00 3.56 H new ATOM 0 HH22 ARG B 21 16.687 39.672 21.171 1.00 3.56 H new ATOM 1645 N TYR B 22 22.728 34.659 17.920 1.00 0.14 N ATOM 1646 CA TYR B 22 23.749 34.694 16.826 1.00 0.13 C ATOM 1647 C TYR B 22 23.055 35.109 15.501 1.00 0.15 C ATOM 1648 O TYR B 22 21.893 34.808 15.314 1.00 0.16 O ATOM 1649 CB TYR B 22 24.349 33.286 16.637 1.00 0.12 C ATOM 1650 CG TYR B 22 25.477 33.000 17.625 1.00 0.13 C ATOM 1651 CD1 TYR B 22 26.582 33.868 17.746 1.00 0.14 C ATOM 1652 CD2 TYR B 22 25.425 31.837 18.412 1.00 0.14 C ATOM 1653 CE1 TYR B 22 27.611 33.569 18.646 1.00 0.17 C ATOM 1654 CE2 TYR B 22 26.457 31.545 19.309 1.00 0.17 C ATOM 1655 CZ TYR B 22 27.549 32.410 19.426 1.00 0.18 C ATOM 1656 OH TYR B 22 28.566 32.120 20.311 1.00 0.21 O ATOM 0 H TYR B 22 22.274 33.757 18.064 1.00 0.14 H new ATOM 0 HA TYR B 22 24.534 35.404 17.086 1.00 0.13 H new ATOM 0 HB2 TYR B 22 23.564 32.540 16.759 1.00 0.12 H new ATOM 0 HB3 TYR B 22 24.727 33.188 15.619 1.00 0.12 H new ATOM 0 HD1 TYR B 22 26.634 34.763 17.144 1.00 0.14 H new ATOM 0 HD2 TYR B 22 24.584 31.165 18.324 1.00 0.14 H new ATOM 0 HE1 TYR B 22 28.456 34.235 18.738 1.00 0.17 H new ATOM 0 HE2 TYR B 22 26.410 30.650 19.912 1.00 0.17 H new ATOM 0 HH TYR B 22 29.425 32.140 19.840 1.00 0.21 H new ATOM 1666 N PRO B 23 23.782 35.755 14.598 1.00 0.16 N ATOM 1667 CA PRO B 23 23.219 36.155 13.288 1.00 0.18 C ATOM 1668 C PRO B 23 22.830 34.902 12.480 1.00 0.19 C ATOM 1669 O PRO B 23 23.036 33.787 12.909 1.00 0.19 O ATOM 1670 CB PRO B 23 24.352 36.936 12.586 1.00 0.19 C ATOM 1671 CG PRO B 23 25.628 36.774 13.455 1.00 0.17 C ATOM 1672 CD PRO B 23 25.194 36.148 14.798 1.00 0.15 C ATOM 0 HA PRO B 23 22.318 36.760 13.387 1.00 0.18 H new ATOM 0 HB2 PRO B 23 24.520 36.550 11.581 1.00 0.19 H new ATOM 0 HB3 PRO B 23 24.088 37.988 12.483 1.00 0.19 H new ATOM 0 HG2 PRO B 23 26.357 36.138 12.952 1.00 0.17 H new ATOM 0 HG3 PRO B 23 26.107 37.740 13.618 1.00 0.17 H new ATOM 0 HD2 PRO B 23 25.812 35.286 15.050 1.00 0.15 H new ATOM 0 HD3 PRO B 23 25.293 36.861 15.616 1.00 0.15 H new ATOM 1680 N TRP B 24 22.261 35.089 11.317 1.00 0.22 N ATOM 1681 CA TRP B 24 21.843 33.924 10.473 1.00 0.24 C ATOM 1682 C TRP B 24 23.047 33.315 9.740 1.00 0.25 C ATOM 1683 O TRP B 24 22.963 32.228 9.202 1.00 0.34 O ATOM 1684 CB TRP B 24 20.807 34.396 9.443 1.00 0.28 C ATOM 1685 CG TRP B 24 20.486 33.282 8.495 1.00 0.53 C ATOM 1686 CD1 TRP B 24 20.986 33.162 7.243 1.00 1.45 C ATOM 1687 CD2 TRP B 24 19.607 32.136 8.696 1.00 0.35 C ATOM 1688 NE1 TRP B 24 20.472 32.015 6.664 1.00 1.68 N ATOM 1689 CE2 TRP B 24 19.618 31.349 7.519 1.00 0.93 C ATOM 1690 CE3 TRP B 24 18.811 31.706 9.773 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 18.865 30.178 7.415 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.052 30.527 9.670 1.00 1.15 C ATOM 1693 CH2 TRP B 24 18.080 29.765 8.494 1.00 0.63 C ATOM 0 H TRP B 24 22.066 36.004 10.911 1.00 0.22 H new ATOM 0 HA TRP B 24 21.413 33.161 11.121 1.00 0.24 H new ATOM 0 HB2 TRP B 24 19.901 34.725 9.951 1.00 0.28 H new ATOM 0 HB3 TRP B 24 21.194 35.254 8.892 1.00 0.28 H new ATOM 0 HD1 TRP B 24 21.674 33.849 6.773 1.00 1.45 H new ATOM 0 HE1 TRP B 24 20.697 31.700 5.720 1.00 1.68 H new ATOM 0 HE3 TRP B 24 18.783 32.285 10.684 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 18.889 29.595 6.506 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 17.443 30.206 10.503 1.00 1.15 H new ATOM 0 HH2 TRP B 24 17.495 28.860 8.422 1.00 0.63 H new ATOM 1704 N GLU B 25 24.154 33.998 9.691 1.00 0.21 N ATOM 1705 CA GLU B 25 25.334 33.439 8.966 1.00 0.24 C ATOM 1706 C GLU B 25 25.970 32.292 9.765 1.00 0.21 C ATOM 1707 O GLU B 25 26.692 31.480 9.222 1.00 0.24 O ATOM 1708 CB GLU B 25 26.376 34.548 8.748 1.00 0.31 C ATOM 1709 CG GLU B 25 25.672 35.879 8.483 1.00 1.20 C ATOM 1710 CD GLU B 25 24.635 35.708 7.369 1.00 1.43 C ATOM 1711 OE1 GLU B 25 25.007 35.840 6.215 1.00 1.99 O ATOM 1712 OE2 GLU B 25 23.487 35.448 7.690 1.00 1.86 O ATOM 0 H GLU B 25 24.296 34.914 10.117 1.00 0.21 H new ATOM 0 HA GLU B 25 24.998 33.051 8.004 1.00 0.24 H new ATOM 0 HB2 GLU B 25 27.017 34.634 9.625 1.00 0.31 H new ATOM 0 HB3 GLU B 25 27.020 34.293 7.906 1.00 0.31 H new ATOM 0 HG2 GLU B 25 25.186 36.231 9.393 1.00 1.20 H new ATOM 0 HG3 GLU B 25 26.402 36.636 8.199 1.00 1.20 H new ATOM 1719 N LEU B 26 25.735 32.229 11.050 1.00 0.16 N ATOM 1720 CA LEU B 26 26.363 31.145 11.873 1.00 0.15 C ATOM 1721 C LEU B 26 25.437 29.936 11.991 1.00 0.15 C ATOM 1722 O LEU B 26 25.541 29.159 12.919 1.00 0.19 O ATOM 1723 CB LEU B 26 26.668 31.682 13.268 1.00 0.13 C ATOM 1724 CG LEU B 26 27.236 33.095 13.156 1.00 0.13 C ATOM 1725 CD1 LEU B 26 27.748 33.531 14.524 1.00 0.14 C ATOM 1726 CD2 LEU B 26 28.390 33.124 12.141 1.00 0.14 C ATOM 0 H LEU B 26 25.139 32.876 11.566 1.00 0.16 H new ATOM 0 HA LEU B 26 27.282 30.829 11.380 1.00 0.15 H new ATOM 0 HB2 LEU B 26 25.761 31.690 13.873 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.382 31.030 13.772 1.00 0.13 H new ATOM 0 HG LEU B 26 26.454 33.774 12.816 1.00 0.13 H new ATOM 0 HD11 LEU B 26 28.156 34.539 14.455 1.00 0.14 H new ATOM 0 HD12 LEU B 26 26.927 33.520 15.240 1.00 0.14 H new ATOM 0 HD13 LEU B 26 28.528 32.846 14.856 1.00 0.14 H new ATOM 0 HD21 LEU B 26 28.787 34.137 12.070 1.00 0.14 H new ATOM 0 HD22 LEU B 26 29.179 32.447 12.468 1.00 0.14 H new ATOM 0 HD23 LEU B 26 28.023 32.809 11.164 1.00 0.14 H new ATOM 1738 N MET B 27 24.548 29.750 11.061 1.00 0.15 N ATOM 1739 CA MET B 27 23.655 28.575 11.141 1.00 0.17 C ATOM 1740 C MET B 27 24.474 27.271 10.936 1.00 0.14 C ATOM 1741 O MET B 27 24.220 26.300 11.621 1.00 0.19 O ATOM 1742 CB MET B 27 22.533 28.710 10.084 1.00 0.20 C ATOM 1743 CG MET B 27 21.260 29.264 10.735 1.00 0.39 C ATOM 1744 SD MET B 27 20.566 28.026 11.855 1.00 1.31 S ATOM 1745 CE MET B 27 19.577 27.143 10.627 1.00 0.45 C ATOM 0 H MET B 27 24.404 30.358 10.255 1.00 0.15 H new ATOM 0 HA MET B 27 23.194 28.526 12.127 1.00 0.17 H new ATOM 0 HB2 MET B 27 22.857 29.371 9.280 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.328 27.739 9.634 1.00 0.20 H new ATOM 0 HG2 MET B 27 21.488 30.178 11.283 1.00 0.39 H new ATOM 0 HG3 MET B 27 20.531 29.525 9.968 1.00 0.39 H new ATOM 0 HE1 MET B 27 19.522 26.088 10.895 1.00 0.45 H new ATOM 0 HE2 MET B 27 18.572 27.563 10.599 1.00 0.45 H new ATOM 0 HE3 MET B 27 20.040 27.244 9.646 1.00 0.45 H new ATOM 1755 N PRO B 28 25.434 27.260 10.014 1.00 0.09 N ATOM 1756 CA PRO B 28 26.252 26.049 9.773 1.00 0.09 C ATOM 1757 C PRO B 28 26.982 25.610 11.053 1.00 0.09 C ATOM 1758 O PRO B 28 27.250 24.444 11.247 1.00 0.14 O ATOM 1759 CB PRO B 28 27.245 26.458 8.660 1.00 0.10 C ATOM 1760 CG PRO B 28 26.745 27.812 8.094 1.00 0.12 C ATOM 1761 CD PRO B 28 25.782 28.405 9.138 1.00 0.12 C ATOM 0 HA PRO B 28 25.645 25.193 9.477 1.00 0.09 H new ATOM 0 HB2 PRO B 28 28.255 26.554 9.058 1.00 0.10 H new ATOM 0 HB3 PRO B 28 27.282 25.701 7.877 1.00 0.10 H new ATOM 0 HG2 PRO B 28 27.581 28.487 7.913 1.00 0.12 H new ATOM 0 HG3 PRO B 28 26.239 27.668 7.139 1.00 0.12 H new ATOM 0 HD2 PRO B 28 26.255 29.208 9.703 1.00 0.12 H new ATOM 0 HD3 PRO B 28 24.895 28.827 8.665 1.00 0.12 H new ATOM 1769 N LEU B 29 27.303 26.519 11.932 1.00 0.10 N ATOM 1770 CA LEU B 29 28.001 26.107 13.186 1.00 0.09 C ATOM 1771 C LEU B 29 26.964 25.543 14.154 1.00 0.10 C ATOM 1772 O LEU B 29 27.140 24.482 14.719 1.00 0.16 O ATOM 1773 CB LEU B 29 28.708 27.309 13.813 1.00 0.08 C ATOM 1774 CG LEU B 29 29.475 28.063 12.724 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.268 29.210 13.356 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.435 27.097 12.016 1.00 0.09 C ATOM 0 H LEU B 29 27.116 27.517 11.840 1.00 0.10 H new ATOM 0 HA LEU B 29 28.751 25.348 12.962 1.00 0.09 H new ATOM 0 HB2 LEU B 29 27.980 27.969 14.286 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.392 26.977 14.594 1.00 0.08 H new ATOM 0 HG LEU B 29 28.772 28.471 11.998 1.00 0.09 H new ATOM 0 HD11 LEU B 29 30.814 29.746 12.580 1.00 0.12 H new ATOM 0 HD12 LEU B 29 29.582 29.894 13.856 1.00 0.12 H new ATOM 0 HD13 LEU B 29 30.973 28.807 14.083 1.00 0.12 H new ATOM 0 HD21 LEU B 29 30.982 27.632 11.240 1.00 0.09 H new ATOM 0 HD22 LEU B 29 31.139 26.688 12.740 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.866 26.284 11.564 1.00 0.09 H new ATOM 1788 N MET B 30 25.869 26.229 14.328 1.00 0.10 N ATOM 1789 CA MET B 30 24.812 25.713 15.231 1.00 0.12 C ATOM 1790 C MET B 30 24.370 24.345 14.707 1.00 0.10 C ATOM 1791 O MET B 30 23.830 23.528 15.426 1.00 0.13 O ATOM 1792 CB MET B 30 23.623 26.675 15.208 1.00 0.16 C ATOM 1793 CG MET B 30 24.034 28.027 15.792 1.00 0.19 C ATOM 1794 SD MET B 30 24.211 27.894 17.591 1.00 1.23 S ATOM 1795 CE MET B 30 25.996 28.172 17.696 1.00 0.22 C ATOM 0 H MET B 30 25.664 27.123 13.883 1.00 0.10 H new ATOM 0 HA MET B 30 25.185 25.626 16.251 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.268 26.804 14.185 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.796 26.258 15.782 1.00 0.16 H new ATOM 0 HG2 MET B 30 24.975 28.354 15.349 1.00 0.19 H new ATOM 0 HG3 MET B 30 23.287 28.781 15.546 1.00 0.19 H new ATOM 0 HE1 MET B 30 26.369 27.789 18.646 1.00 0.22 H new ATOM 0 HE2 MET B 30 26.494 27.654 16.876 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.202 29.240 17.629 1.00 0.22 H new ATOM 1805 N TYR B 31 24.604 24.101 13.444 1.00 0.08 N ATOM 1806 CA TYR B 31 24.214 22.799 12.831 1.00 0.08 C ATOM 1807 C TYR B 31 25.184 21.708 13.293 1.00 0.08 C ATOM 1808 O TYR B 31 24.790 20.728 13.892 1.00 0.09 O ATOM 1809 CB TYR B 31 24.272 22.938 11.304 1.00 0.09 C ATOM 1810 CG TYR B 31 24.129 21.588 10.641 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.860 21.100 10.312 1.00 0.10 C ATOM 1812 CD2 TYR B 31 25.270 20.831 10.346 1.00 0.10 C ATOM 1813 CE1 TYR B 31 22.730 19.853 9.689 1.00 0.11 C ATOM 1814 CE2 TYR B 31 25.141 19.585 9.722 1.00 0.11 C ATOM 1815 CZ TYR B 31 23.871 19.095 9.393 1.00 0.11 C ATOM 1816 OH TYR B 31 23.743 17.867 8.778 1.00 0.13 O ATOM 0 H TYR B 31 25.054 24.757 12.805 1.00 0.08 H new ATOM 0 HA TYR B 31 23.204 22.527 13.137 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.478 23.602 10.964 1.00 0.09 H new ATOM 0 HB3 TYR B 31 25.217 23.395 11.011 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.981 21.685 10.539 1.00 0.10 H new ATOM 0 HD2 TYR B 31 26.249 21.209 10.600 1.00 0.10 H new ATOM 0 HE1 TYR B 31 21.750 19.475 9.436 1.00 0.11 H new ATOM 0 HE2 TYR B 31 26.021 19.001 9.494 1.00 0.11 H new ATOM 0 HH TYR B 31 24.631 17.474 8.644 1.00 0.13 H new ATOM 1826 N VAL B 32 26.450 21.870 13.020 1.00 0.08 N ATOM 1827 CA VAL B 32 27.437 20.840 13.445 1.00 0.08 C ATOM 1828 C VAL B 32 27.284 20.579 14.944 1.00 0.08 C ATOM 1829 O VAL B 32 27.162 19.450 15.378 1.00 0.10 O ATOM 1830 CB VAL B 32 28.855 21.335 13.149 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.869 20.281 13.606 1.00 0.08 C ATOM 1832 CG2 VAL B 32 29.005 21.572 11.642 1.00 0.08 C ATOM 0 H VAL B 32 26.842 22.669 12.522 1.00 0.08 H new ATOM 0 HA VAL B 32 27.258 19.915 12.896 1.00 0.08 H new ATOM 0 HB VAL B 32 29.036 22.267 13.684 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.879 20.633 13.396 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.760 20.111 14.677 1.00 0.08 H new ATOM 0 HG13 VAL B 32 29.691 19.348 13.071 1.00 0.08 H new ATOM 0 HG21 VAL B 32 30.014 21.925 11.428 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.825 20.639 11.107 1.00 0.08 H new ATOM 0 HG23 VAL B 32 28.282 22.321 11.318 1.00 0.08 H new ATOM 1842 N ILE B 33 27.286 21.615 15.739 1.00 0.08 N ATOM 1843 CA ILE B 33 27.138 21.436 17.210 1.00 0.08 C ATOM 1844 C ILE B 33 25.986 20.451 17.492 1.00 0.09 C ATOM 1845 O ILE B 33 26.210 19.354 17.962 1.00 0.10 O ATOM 1846 CB ILE B 33 26.895 22.823 17.829 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.172 23.651 17.619 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.602 22.723 19.330 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.005 25.089 18.136 1.00 0.08 C ATOM 0 H ILE B 33 27.384 22.582 15.430 1.00 0.08 H new ATOM 0 HA ILE B 33 28.035 21.009 17.658 1.00 0.08 H new ATOM 0 HB ILE B 33 26.031 23.286 17.352 1.00 0.08 H new ATOM 0 HG12 ILE B 33 29.005 23.173 18.134 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.423 23.672 16.558 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.435 23.721 19.735 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.712 22.114 19.487 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.450 22.263 19.836 1.00 0.09 H new ATOM 0 HD11 ILE B 33 28.928 25.645 17.971 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.188 25.575 17.602 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.780 25.068 19.202 1.00 0.08 H new ATOM 1861 N LEU B 34 24.765 20.805 17.185 1.00 0.08 N ATOM 1862 CA LEU B 34 23.637 19.849 17.418 1.00 0.09 C ATOM 1863 C LEU B 34 24.003 18.498 16.778 1.00 0.12 C ATOM 1864 O LEU B 34 23.696 17.451 17.306 1.00 0.16 O ATOM 1865 CB LEU B 34 22.355 20.428 16.752 1.00 0.10 C ATOM 1866 CG LEU B 34 21.318 21.045 17.758 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.946 21.495 19.091 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.653 22.260 17.093 1.00 0.11 C ATOM 0 H LEU B 34 24.500 21.706 16.787 1.00 0.08 H new ATOM 0 HA LEU B 34 23.458 19.707 18.484 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.648 21.196 16.036 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.865 19.635 16.186 1.00 0.10 H new ATOM 0 HG LEU B 34 20.598 20.262 17.994 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.172 21.911 19.736 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.407 20.639 19.583 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.704 22.254 18.898 1.00 0.10 H new ATOM 0 HD21 LEU B 34 19.930 22.700 17.779 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.414 23.000 16.844 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.143 21.943 16.183 1.00 0.11 H new ATOM 1880 N LYS B 35 24.653 18.514 15.650 1.00 0.13 N ATOM 1881 CA LYS B 35 25.025 17.232 14.989 1.00 0.17 C ATOM 1882 C LYS B 35 25.890 16.392 15.941 1.00 0.19 C ATOM 1883 O LYS B 35 25.782 15.183 15.989 1.00 0.28 O ATOM 1884 CB LYS B 35 25.800 17.547 13.699 1.00 0.16 C ATOM 1885 CG LYS B 35 25.564 16.449 12.651 1.00 0.19 C ATOM 1886 CD LYS B 35 26.148 15.111 13.138 1.00 0.26 C ATOM 1887 CE LYS B 35 26.475 14.216 11.937 1.00 0.70 C ATOM 1888 NZ LYS B 35 25.341 14.245 10.971 1.00 1.58 N ATOM 0 H LYS B 35 24.943 19.358 15.156 1.00 0.13 H new ATOM 0 HA LYS B 35 24.128 16.663 14.743 1.00 0.17 H new ATOM 0 HB2 LYS B 35 25.482 18.511 13.303 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.865 17.627 13.917 1.00 0.16 H new ATOM 0 HG2 LYS B 35 24.496 16.340 12.463 1.00 0.19 H new ATOM 0 HG3 LYS B 35 26.027 16.733 11.706 1.00 0.19 H new ATOM 0 HD2 LYS B 35 27.049 15.290 13.725 1.00 0.26 H new ATOM 0 HD3 LYS B 35 25.435 14.610 13.793 1.00 0.26 H new ATOM 0 HE2 LYS B 35 27.388 14.560 11.452 1.00 0.70 H new ATOM 0 HE3 LYS B 35 26.656 13.194 12.270 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 25.384 13.405 10.360 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 24.441 14.248 11.492 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 25.405 15.102 10.386 1.00 1.58 H new ATOM 1902 N ASP B 36 26.748 17.021 16.696 1.00 0.23 N ATOM 1903 CA ASP B 36 27.620 16.256 17.637 1.00 0.28 C ATOM 1904 C ASP B 36 26.895 16.041 18.968 1.00 0.26 C ATOM 1905 O ASP B 36 27.001 14.999 19.584 1.00 0.39 O ATOM 1906 CB ASP B 36 28.907 17.051 17.884 1.00 0.34 C ATOM 1907 CG ASP B 36 29.846 16.895 16.686 1.00 1.23 C ATOM 1908 OD1 ASP B 36 30.585 15.925 16.659 1.00 1.92 O ATOM 1909 OD2 ASP B 36 29.810 17.749 15.815 1.00 1.96 O ATOM 0 H ASP B 36 26.884 18.032 16.703 1.00 0.23 H new ATOM 0 HA ASP B 36 27.857 15.286 17.200 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.672 18.104 18.039 1.00 0.34 H new ATOM 0 HB3 ASP B 36 29.397 16.697 18.791 1.00 0.34 H new ATOM 1914 N ALA B 37 26.176 17.026 19.425 1.00 0.21 N ATOM 1915 CA ALA B 37 25.463 16.894 20.726 1.00 0.21 C ATOM 1916 C ALA B 37 24.195 16.059 20.559 1.00 0.20 C ATOM 1917 O ALA B 37 23.191 16.319 21.193 1.00 0.24 O ATOM 1918 CB ALA B 37 25.079 18.289 21.219 1.00 0.22 C ATOM 0 H ALA B 37 26.050 17.921 18.952 1.00 0.21 H new ATOM 0 HA ALA B 37 26.118 16.400 21.444 1.00 0.21 H new ATOM 0 HB1 ALA B 37 24.556 18.207 22.172 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.979 18.889 21.350 1.00 0.22 H new ATOM 0 HB3 ALA B 37 24.428 18.767 20.487 1.00 0.22 H new ATOM 1924 N ASP B 38 24.210 15.072 19.716 1.00 0.20 N ATOM 1925 CA ASP B 38 22.978 14.262 19.536 1.00 0.21 C ATOM 1926 C ASP B 38 21.825 15.215 19.216 1.00 0.18 C ATOM 1927 O ASP B 38 20.664 14.880 19.338 1.00 0.21 O ATOM 1928 CB ASP B 38 22.685 13.496 20.835 1.00 0.28 C ATOM 1929 CG ASP B 38 21.828 12.264 20.531 1.00 1.00 C ATOM 1930 OD1 ASP B 38 22.365 11.312 19.990 1.00 1.86 O ATOM 1931 OD2 ASP B 38 20.649 12.295 20.844 1.00 1.59 O ATOM 0 H ASP B 38 25.010 14.792 19.149 1.00 0.20 H new ATOM 0 HA ASP B 38 23.101 13.545 18.725 1.00 0.21 H new ATOM 0 HB2 ASP B 38 23.619 13.192 21.307 1.00 0.28 H new ATOM 0 HB3 ASP B 38 22.167 14.145 21.541 1.00 0.28 H new ATOM 1936 N ALA B 39 22.163 16.409 18.817 1.00 0.14 N ATOM 1937 CA ALA B 39 21.142 17.434 18.485 1.00 0.14 C ATOM 1938 C ALA B 39 20.353 17.812 19.738 1.00 0.15 C ATOM 1939 O ALA B 39 19.348 18.490 19.667 1.00 0.18 O ATOM 1940 CB ALA B 39 20.194 16.904 17.413 1.00 0.16 C ATOM 0 H ALA B 39 23.127 16.722 18.705 1.00 0.14 H new ATOM 0 HA ALA B 39 21.647 18.321 18.102 1.00 0.14 H new ATOM 0 HB1 ALA B 39 19.449 17.664 17.178 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.761 16.660 16.514 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.694 16.008 17.780 1.00 0.16 H new ATOM 1946 N ASN B 40 20.805 17.393 20.890 1.00 0.15 N ATOM 1947 CA ASN B 40 20.079 17.750 22.141 1.00 0.18 C ATOM 1948 C ASN B 40 20.469 19.173 22.539 1.00 0.15 C ATOM 1949 O ASN B 40 21.525 19.404 23.094 1.00 0.15 O ATOM 1950 CB ASN B 40 20.462 16.773 23.258 1.00 0.23 C ATOM 1951 CG ASN B 40 19.413 16.829 24.373 1.00 0.91 C ATOM 1952 OD1 ASN B 40 18.523 17.784 24.369 1.00 1.90 O flip ATOM 1953 ND2 ASN B 40 19.405 15.995 25.257 1.00 1.32 N flip ATOM 0 H ASN B 40 21.641 16.822 21.018 1.00 0.15 H new ATOM 0 HA ASN B 40 19.003 17.691 21.979 1.00 0.18 H new ATOM 0 HB2 ASN B 40 20.531 15.760 22.861 1.00 0.23 H new ATOM 0 HB3 ASN B 40 21.444 17.027 23.656 1.00 0.23 H new ATOM 0 HD21 ASN B 40 20.100 15.249 25.260 1.00 1.32 H new ATOM 0 HD22 ASN B 40 18.703 16.041 25.996 1.00 1.32 H new ATOM 1960 N ILE B 41 19.634 20.131 22.244 1.00 0.15 N ATOM 1961 CA ILE B 41 19.962 21.542 22.588 1.00 0.15 C ATOM 1962 C ILE B 41 20.501 21.625 24.020 1.00 0.15 C ATOM 1963 O ILE B 41 21.503 22.264 24.270 1.00 0.14 O ATOM 1964 CB ILE B 41 18.705 22.411 22.420 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.479 22.630 20.912 1.00 0.21 C ATOM 1966 CG2 ILE B 41 18.900 23.758 23.143 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.224 23.470 20.668 1.00 0.24 C ATOM 0 H ILE B 41 18.737 19.996 21.778 1.00 0.15 H new ATOM 0 HA ILE B 41 20.737 21.913 21.917 1.00 0.15 H new ATOM 0 HB ILE B 41 17.836 21.919 22.857 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.346 23.128 20.478 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.381 21.667 20.411 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.006 24.369 23.020 1.00 0.21 H new ATOM 0 HG22 ILE B 41 19.075 23.579 24.204 1.00 0.21 H new ATOM 0 HG23 ILE B 41 19.757 24.279 22.717 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.084 23.612 19.596 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.356 22.957 21.082 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.336 24.441 21.151 1.00 0.24 H new ATOM 1979 N GLU B 42 19.864 20.984 24.959 1.00 0.17 N ATOM 1980 CA GLU B 42 20.374 21.039 26.357 1.00 0.17 C ATOM 1981 C GLU B 42 21.863 20.702 26.347 1.00 0.16 C ATOM 1982 O GLU B 42 22.692 21.486 26.764 1.00 0.18 O ATOM 1983 CB GLU B 42 19.621 20.027 27.222 1.00 0.20 C ATOM 1984 CG GLU B 42 18.150 20.436 27.322 1.00 0.30 C ATOM 1985 CD GLU B 42 17.334 19.273 27.891 1.00 1.03 C ATOM 1986 OE1 GLU B 42 17.296 18.235 27.252 1.00 1.65 O ATOM 1987 OE2 GLU B 42 16.762 19.442 28.955 1.00 1.78 O ATOM 0 H GLU B 42 19.019 20.429 24.821 1.00 0.17 H new ATOM 0 HA GLU B 42 20.222 22.037 26.769 1.00 0.17 H new ATOM 0 HB2 GLU B 42 19.704 19.030 26.789 1.00 0.20 H new ATOM 0 HB3 GLU B 42 20.065 19.981 28.216 1.00 0.20 H new ATOM 0 HG2 GLU B 42 18.048 21.313 27.961 1.00 0.30 H new ATOM 0 HG3 GLU B 42 17.771 20.713 26.338 1.00 0.30 H new ATOM 1994 N GLU B 43 22.205 19.547 25.855 1.00 0.16 N ATOM 1995 CA GLU B 43 23.639 19.157 25.799 1.00 0.16 C ATOM 1996 C GLU B 43 24.414 20.203 24.995 1.00 0.14 C ATOM 1997 O GLU B 43 25.350 20.799 25.482 1.00 0.20 O ATOM 1998 CB GLU B 43 23.770 17.791 25.124 1.00 0.18 C ATOM 1999 CG GLU B 43 25.198 17.267 25.299 1.00 0.30 C ATOM 2000 CD GLU B 43 25.415 16.851 26.755 1.00 1.21 C ATOM 2001 OE1 GLU B 43 24.629 16.057 27.247 1.00 1.89 O ATOM 2002 OE2 GLU B 43 26.362 17.333 27.354 1.00 1.96 O ATOM 0 H GLU B 43 21.552 18.854 25.488 1.00 0.16 H new ATOM 0 HA GLU B 43 24.044 19.100 26.809 1.00 0.16 H new ATOM 0 HB2 GLU B 43 23.058 17.089 25.559 1.00 0.18 H new ATOM 0 HB3 GLU B 43 23.529 17.873 24.064 1.00 0.18 H new ATOM 0 HG2 GLU B 43 25.368 16.417 24.638 1.00 0.30 H new ATOM 0 HG3 GLU B 43 25.916 18.038 25.019 1.00 0.30 H new ATOM 2009 N ALA B 44 24.034 20.435 23.768 1.00 0.12 N ATOM 2010 CA ALA B 44 24.765 21.444 22.948 1.00 0.12 C ATOM 2011 C ALA B 44 24.829 22.777 23.698 1.00 0.12 C ATOM 2012 O ALA B 44 25.892 23.300 23.964 1.00 0.14 O ATOM 2013 CB ALA B 44 24.050 21.645 21.606 1.00 0.13 C ATOM 0 H ALA B 44 23.254 19.973 23.300 1.00 0.12 H new ATOM 0 HA ALA B 44 25.777 21.084 22.766 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.590 22.383 21.013 1.00 0.13 H new ATOM 0 HB2 ALA B 44 24.018 20.699 21.066 1.00 0.13 H new ATOM 0 HB3 ALA B 44 23.034 21.996 21.784 1.00 0.13 H new ATOM 2019 N SER B 45 23.701 23.337 24.031 1.00 0.12 N ATOM 2020 CA SER B 45 23.706 24.641 24.751 1.00 0.16 C ATOM 2021 C SER B 45 24.690 24.577 25.920 1.00 0.15 C ATOM 2022 O SER B 45 25.326 25.554 26.262 1.00 0.16 O ATOM 2023 CB SER B 45 22.305 24.943 25.275 1.00 0.19 C ATOM 2024 OG SER B 45 22.375 26.001 26.222 1.00 0.82 O ATOM 0 H SER B 45 22.777 22.950 23.837 1.00 0.12 H new ATOM 0 HA SER B 45 24.011 25.431 24.065 1.00 0.16 H new ATOM 0 HB2 SER B 45 21.648 25.220 24.451 1.00 0.19 H new ATOM 0 HB3 SER B 45 21.878 24.053 25.738 1.00 0.19 H new ATOM 0 HG SER B 45 21.572 25.991 26.784 1.00 0.82 H new ATOM 2030 N ARG B 46 24.827 23.433 26.531 1.00 0.17 N ATOM 2031 CA ARG B 46 25.777 23.312 27.668 1.00 0.20 C ATOM 2032 C ARG B 46 27.207 23.282 27.119 1.00 0.17 C ATOM 2033 O ARG B 46 28.155 23.587 27.815 1.00 0.23 O ATOM 2034 CB ARG B 46 25.477 22.030 28.454 1.00 0.24 C ATOM 2035 CG ARG B 46 24.156 22.198 29.223 1.00 0.84 C ATOM 2036 CD ARG B 46 23.574 20.825 29.572 1.00 1.21 C ATOM 2037 NE ARG B 46 24.575 20.040 30.347 1.00 1.63 N ATOM 2038 CZ ARG B 46 24.204 18.973 31.000 1.00 2.08 C ATOM 2039 NH1 ARG B 46 22.954 18.596 30.978 1.00 2.50 N ATOM 2040 NH2 ARG B 46 25.082 18.283 31.674 1.00 2.80 N ATOM 0 H ARG B 46 24.323 22.579 26.292 1.00 0.17 H new ATOM 0 HA ARG B 46 25.668 24.164 28.340 1.00 0.20 H new ATOM 0 HB2 ARG B 46 25.409 21.181 27.774 1.00 0.24 H new ATOM 0 HB3 ARG B 46 26.290 21.818 29.148 1.00 0.24 H new ATOM 0 HG2 ARG B 46 24.327 22.772 30.134 1.00 0.84 H new ATOM 0 HG3 ARG B 46 23.444 22.761 28.620 1.00 0.84 H new ATOM 0 HD2 ARG B 46 22.660 20.944 30.154 1.00 1.21 H new ATOM 0 HD3 ARG B 46 23.304 20.291 28.661 1.00 1.21 H new ATOM 0 HE ARG B 46 25.551 20.337 30.367 1.00 1.63 H new ATOM 0 HH11 ARG B 46 22.268 19.136 30.450 1.00 2.50 H new ATOM 0 HH12 ARG B 46 22.664 17.762 31.488 1.00 2.50 H new ATOM 0 HH21 ARG B 46 26.058 18.578 31.691 1.00 2.80 H new ATOM 0 HH22 ARG B 46 24.792 17.449 32.185 1.00 2.80 H new ATOM 2054 N ARG B 47 27.367 22.937 25.866 1.00 0.13 N ATOM 2055 CA ARG B 47 28.734 22.914 25.269 1.00 0.12 C ATOM 2056 C ARG B 47 29.134 24.343 24.911 1.00 0.11 C ATOM 2057 O ARG B 47 30.132 24.859 25.373 1.00 0.12 O ATOM 2058 CB ARG B 47 28.741 22.066 23.994 1.00 0.15 C ATOM 2059 CG ARG B 47 28.489 20.599 24.340 1.00 0.32 C ATOM 2060 CD ARG B 47 28.869 19.720 23.151 1.00 0.54 C ATOM 2061 NE ARG B 47 28.080 20.139 21.961 1.00 0.95 N ATOM 2062 CZ ARG B 47 28.363 19.649 20.791 1.00 1.20 C ATOM 2063 NH1 ARG B 47 29.320 18.777 20.670 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.682 20.017 19.745 1.00 1.62 N ATOM 0 H ARG B 47 26.612 22.671 25.234 1.00 0.13 H new ATOM 0 HA ARG B 47 29.433 22.486 25.987 1.00 0.12 H new ATOM 0 HB2 ARG B 47 27.974 22.423 23.306 1.00 0.15 H new ATOM 0 HB3 ARG B 47 29.699 22.169 23.485 1.00 0.15 H new ATOM 0 HG2 ARG B 47 29.073 20.316 25.216 1.00 0.32 H new ATOM 0 HG3 ARG B 47 27.440 20.450 24.595 1.00 0.32 H new ATOM 0 HD2 ARG B 47 29.936 19.808 22.944 1.00 0.54 H new ATOM 0 HD3 ARG B 47 28.674 18.672 23.381 1.00 0.54 H new ATOM 0 HE ARG B 47 27.318 20.810 22.063 1.00 0.95 H new ATOM 0 HH11 ARG B 47 29.846 18.480 21.492 1.00 1.81 H new ATOM 0 HH12 ARG B 47 29.545 18.390 19.753 1.00 1.81 H new ATOM 0 HH21 ARG B 47 26.923 20.692 19.842 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.907 19.630 18.828 1.00 1.62 H new ATOM 2078 N ILE B 48 28.347 24.990 24.094 1.00 0.10 N ATOM 2079 CA ILE B 48 28.660 26.394 23.703 1.00 0.09 C ATOM 2080 C ILE B 48 28.956 27.198 24.965 1.00 0.10 C ATOM 2081 O ILE B 48 30.001 27.802 25.105 1.00 0.10 O ATOM 2082 CB ILE B 48 27.463 27.008 22.979 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.032 26.083 21.834 1.00 0.10 C ATOM 2084 CG2 ILE B 48 27.877 28.367 22.418 1.00 0.10 C ATOM 2085 CD1 ILE B 48 25.762 26.623 21.175 1.00 0.10 C ATOM 0 H ILE B 48 27.498 24.605 23.680 1.00 0.10 H new ATOM 0 HA ILE B 48 29.523 26.408 23.038 1.00 0.09 H new ATOM 0 HB ILE B 48 26.629 27.132 23.669 1.00 0.10 H new ATOM 0 HG12 ILE B 48 27.831 26.008 21.096 1.00 0.10 H new ATOM 0 HG13 ILE B 48 26.854 25.077 22.215 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.032 28.818 21.898 1.00 0.10 H new ATOM 0 HG22 ILE B 48 28.190 29.018 23.235 1.00 0.10 H new ATOM 0 HG23 ILE B 48 28.705 28.236 21.721 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.463 25.960 20.363 1.00 0.10 H new ATOM 0 HD12 ILE B 48 24.962 26.675 21.914 1.00 0.10 H new ATOM 0 HD13 ILE B 48 25.954 27.620 20.778 1.00 0.10 H new ATOM 2097 N GLU B 49 28.043 27.191 25.895 1.00 0.10 N ATOM 2098 CA GLU B 49 28.260 27.932 27.169 1.00 0.11 C ATOM 2099 C GLU B 49 29.641 27.588 27.709 1.00 0.11 C ATOM 2100 O GLU B 49 30.500 28.437 27.844 1.00 0.12 O ATOM 2101 CB GLU B 49 27.222 27.481 28.185 1.00 0.13 C ATOM 2102 CG GLU B 49 25.858 28.081 27.836 1.00 0.14 C ATOM 2103 CD GLU B 49 25.839 29.563 28.215 1.00 0.16 C ATOM 2104 OE1 GLU B 49 26.865 30.055 28.654 1.00 1.10 O ATOM 2105 OE2 GLU B 49 24.798 30.180 28.060 1.00 1.07 O ATOM 0 H GLU B 49 27.151 26.701 25.827 1.00 0.10 H new ATOM 0 HA GLU B 49 28.177 29.004 26.993 1.00 0.11 H new ATOM 0 HB2 GLU B 49 27.159 26.393 28.195 1.00 0.13 H new ATOM 0 HB3 GLU B 49 27.521 27.792 29.186 1.00 0.13 H new ATOM 0 HG2 GLU B 49 25.660 27.965 26.770 1.00 0.14 H new ATOM 0 HG3 GLU B 49 25.068 27.549 28.367 1.00 0.14 H new ATOM 2112 N GLU B 50 29.869 26.335 27.996 1.00 0.12 N ATOM 2113 CA GLU B 50 31.203 25.926 28.499 1.00 0.12 C ATOM 2114 C GLU B 50 32.233 26.445 27.510 1.00 0.11 C ATOM 2115 O GLU B 50 33.385 26.629 27.825 1.00 0.11 O ATOM 2116 CB GLU B 50 31.284 24.400 28.583 1.00 0.14 C ATOM 2117 CG GLU B 50 32.565 23.996 29.316 1.00 0.17 C ATOM 2118 CD GLU B 50 32.433 24.336 30.801 1.00 1.14 C ATOM 2119 OE1 GLU B 50 31.339 24.203 31.324 1.00 1.97 O ATOM 2120 OE2 GLU B 50 33.429 24.724 31.390 1.00 1.78 O ATOM 0 H GLU B 50 29.188 25.581 27.903 1.00 0.12 H new ATOM 0 HA GLU B 50 31.383 26.330 29.495 1.00 0.12 H new ATOM 0 HB2 GLU B 50 30.413 24.007 29.108 1.00 0.14 H new ATOM 0 HB3 GLU B 50 31.274 23.969 27.582 1.00 0.14 H new ATOM 0 HG2 GLU B 50 32.746 22.928 29.191 1.00 0.17 H new ATOM 0 HG3 GLU B 50 33.421 24.517 28.888 1.00 0.17 H new ATOM 2127 N GLY B 51 31.796 26.708 26.312 1.00 0.10 N ATOM 2128 CA GLY B 51 32.724 27.249 25.276 1.00 0.09 C ATOM 2129 C GLY B 51 32.904 28.744 25.535 1.00 0.09 C ATOM 2130 O GLY B 51 33.996 29.221 25.773 1.00 0.10 O ATOM 0 H GLY B 51 30.834 26.572 26.002 1.00 0.10 H new ATOM 0 HA2 GLY B 51 33.685 26.736 25.321 1.00 0.09 H new ATOM 0 HA3 GLY B 51 32.320 27.082 24.278 1.00 0.09 H new ATOM 2134 N GLN B 52 31.824 29.482 25.517 1.00 0.10 N ATOM 2135 CA GLN B 52 31.900 30.950 25.792 1.00 0.11 C ATOM 2136 C GLN B 52 32.762 31.169 27.029 1.00 0.11 C ATOM 2137 O GLN B 52 33.644 32.004 27.053 1.00 0.13 O ATOM 2138 CB GLN B 52 30.489 31.481 26.051 1.00 0.13 C ATOM 2139 CG GLN B 52 29.598 31.162 24.848 1.00 0.19 C ATOM 2140 CD GLN B 52 29.998 32.046 23.669 1.00 0.54 C ATOM 2141 OE1 GLN B 52 30.709 33.017 23.835 1.00 1.37 O ATOM 2142 NE2 GLN B 52 29.566 31.751 22.474 1.00 0.74 N ATOM 0 H GLN B 52 30.887 29.129 25.323 1.00 0.10 H new ATOM 0 HA GLN B 52 32.335 31.474 24.941 1.00 0.11 H new ATOM 0 HB2 GLN B 52 30.078 31.028 26.953 1.00 0.13 H new ATOM 0 HB3 GLN B 52 30.519 32.557 26.220 1.00 0.13 H new ATOM 0 HG2 GLN B 52 29.696 30.111 24.578 1.00 0.19 H new ATOM 0 HG3 GLN B 52 28.551 31.329 25.103 1.00 0.19 H new ATOM 0 HE21 GLN B 52 28.969 30.936 22.334 1.00 0.74 H new ATOM 0 HE22 GLN B 52 29.825 32.336 21.679 1.00 0.74 H new ATOM 2151 N TYR B 53 32.515 30.408 28.052 1.00 0.11 N ATOM 2152 CA TYR B 53 33.322 30.550 29.294 1.00 0.13 C ATOM 2153 C TYR B 53 34.801 30.293 28.964 1.00 0.13 C ATOM 2154 O TYR B 53 35.670 31.031 29.379 1.00 0.16 O ATOM 2155 CB TYR B 53 32.820 29.548 30.353 1.00 0.14 C ATOM 2156 CG TYR B 53 33.876 29.340 31.420 1.00 0.17 C ATOM 2157 CD1 TYR B 53 34.943 28.475 31.169 1.00 0.17 C ATOM 2158 CD2 TYR B 53 33.795 30.013 32.644 1.00 0.22 C ATOM 2159 CE1 TYR B 53 35.933 28.277 32.131 1.00 0.22 C ATOM 2160 CE2 TYR B 53 34.788 29.818 33.614 1.00 0.26 C ATOM 2161 CZ TYR B 53 35.859 28.950 33.357 1.00 0.25 C ATOM 2162 OH TYR B 53 36.836 28.756 34.312 1.00 0.30 O ATOM 0 H TYR B 53 31.789 29.692 28.084 1.00 0.11 H new ATOM 0 HA TYR B 53 33.218 31.558 29.695 1.00 0.13 H new ATOM 0 HB2 TYR B 53 31.901 29.918 30.808 1.00 0.14 H new ATOM 0 HB3 TYR B 53 32.580 28.596 29.879 1.00 0.14 H new ATOM 0 HD1 TYR B 53 35.002 27.956 30.224 1.00 0.17 H new ATOM 0 HD2 TYR B 53 32.970 30.681 32.841 1.00 0.22 H new ATOM 0 HE1 TYR B 53 36.755 27.606 31.931 1.00 0.22 H new ATOM 0 HE2 TYR B 53 34.728 30.336 34.560 1.00 0.26 H new ATOM 0 HH TYR B 53 36.633 29.299 35.102 1.00 0.30 H new ATOM 2172 N VAL B 54 35.099 29.251 28.231 1.00 0.11 N ATOM 2173 CA VAL B 54 36.529 28.969 27.902 1.00 0.12 C ATOM 2174 C VAL B 54 37.144 30.201 27.237 1.00 0.12 C ATOM 2175 O VAL B 54 38.042 30.826 27.764 1.00 0.13 O ATOM 2176 CB VAL B 54 36.646 27.779 26.929 1.00 0.11 C ATOM 2177 CG1 VAL B 54 38.125 27.598 26.561 1.00 0.13 C ATOM 2178 CG2 VAL B 54 36.105 26.470 27.569 1.00 0.12 C ATOM 0 H VAL B 54 34.423 28.590 27.850 1.00 0.11 H new ATOM 0 HA VAL B 54 37.053 28.726 28.827 1.00 0.12 H new ATOM 0 HB VAL B 54 36.049 27.987 26.041 1.00 0.11 H new ATOM 0 HG11 VAL B 54 38.229 26.760 25.872 1.00 0.13 H new ATOM 0 HG12 VAL B 54 38.495 28.506 26.085 1.00 0.13 H new ATOM 0 HG13 VAL B 54 38.703 27.400 27.464 1.00 0.13 H new ATOM 0 HG21 VAL B 54 36.202 25.650 26.857 1.00 0.12 H new ATOM 0 HG22 VAL B 54 36.678 26.240 28.467 1.00 0.12 H new ATOM 0 HG23 VAL B 54 35.055 26.600 27.832 1.00 0.12 H new ATOM 2188 N VAL B 55 36.664 30.543 26.075 1.00 0.11 N ATOM 2189 CA VAL B 55 37.209 31.724 25.353 1.00 0.11 C ATOM 2190 C VAL B 55 37.220 32.930 26.293 1.00 0.14 C ATOM 2191 O VAL B 55 38.245 33.540 26.527 1.00 0.17 O ATOM 2192 CB VAL B 55 36.326 32.011 24.132 1.00 0.11 C ATOM 2193 CG1 VAL B 55 36.960 33.111 23.274 1.00 0.13 C ATOM 2194 CG2 VAL B 55 36.189 30.731 23.300 1.00 0.10 C ATOM 0 H VAL B 55 35.912 30.051 25.592 1.00 0.11 H new ATOM 0 HA VAL B 55 38.228 31.526 25.021 1.00 0.11 H new ATOM 0 HB VAL B 55 35.343 32.343 24.467 1.00 0.11 H new ATOM 0 HG11 VAL B 55 36.327 33.308 22.409 1.00 0.13 H new ATOM 0 HG12 VAL B 55 37.061 34.021 23.865 1.00 0.13 H new ATOM 0 HG13 VAL B 55 37.944 32.787 22.936 1.00 0.13 H new ATOM 0 HG21 VAL B 55 35.562 30.928 22.430 1.00 0.10 H new ATOM 0 HG22 VAL B 55 37.175 30.404 22.970 1.00 0.10 H new ATOM 0 HG23 VAL B 55 35.732 29.950 23.907 1.00 0.10 H new ATOM 2204 N ASN B 56 36.089 33.276 26.836 1.00 0.16 N ATOM 2205 CA ASN B 56 36.034 34.442 27.763 1.00 0.20 C ATOM 2206 C ASN B 56 37.007 34.217 28.924 1.00 0.22 C ATOM 2207 O ASN B 56 37.842 35.048 29.217 1.00 0.31 O ATOM 2208 CB ASN B 56 34.613 34.592 28.310 1.00 0.26 C ATOM 2209 CG ASN B 56 33.685 35.077 27.196 1.00 0.52 C ATOM 2210 OD1 ASN B 56 34.167 35.254 25.998 1.00 1.35 O flip ATOM 2211 ND2 ASN B 56 32.511 35.298 27.419 1.00 0.91 N flip ATOM 0 H ASN B 56 35.199 32.803 26.679 1.00 0.16 H new ATOM 0 HA ASN B 56 36.314 35.348 27.225 1.00 0.20 H new ATOM 0 HB2 ASN B 56 34.260 33.638 28.702 1.00 0.26 H new ATOM 0 HB3 ASN B 56 34.604 35.300 29.139 1.00 0.26 H new ATOM 0 HD21 ASN B 56 32.135 35.159 28.357 1.00 0.91 H new ATOM 0 HD22 ASN B 56 31.902 35.622 26.668 1.00 0.91 H new