USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 842 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 0:sc= -0.965 USER MOD Set 1.2: B 52 GLN : amide:sc= -0.204 K(o=-1.2,f=-1.9!) USER MOD Set 2.1: A 22 TYR OH : rot 99:sc= 0.699 USER MOD Set 2.2: A 52 GLN :FLIP amide:sc= -2.05! F(o=-3.5,f=-1.3!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 60:sc= -1.69 USER MOD Single : A 14 GLN :FLIP amide:sc= -2.66 F(o=-5.3!,f=-2.7) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.114 (180deg=-0.761) USER MOD Single : A 27 MET CE :methyl -149:sc= -0.38 (180deg=-2.83!) USER MOD Single : A 30 MET CE :methyl 176:sc= -2.73 (180deg=-2.88!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -164:sc=-0.00216 (180deg=-0.129) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 45 SER OG : rot -64:sc= 0.217 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= -2.81! C(o=-5.7!,f=-2.8!) USER MOD Single : A 58 TYR OH : rot 57:sc= 0.0559 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot 68:sc= -1.04 USER MOD Single : B 14 GLN :FLIP amide:sc= -0.751 F(o=-2,f=-0.75) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -165:sc= -0.197 (180deg=-0.796) USER MOD Single : B 27 MET CE :methyl -146:sc= -0.704 (180deg=-3.45!) USER MOD Single : B 30 MET CE :methyl 176:sc= -2.96 (180deg=-3.02) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -159:sc= -0.0894 (180deg=-0.61) USER MOD Single : B 40 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 45 SER OG : rot -67:sc= 0.044 USER MOD Single : B 53 TYR OH : rot 7:sc= -0.749! USER MOD Single : B 56 ASN : amide:sc= -7.44! C(o=-7.4!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 44.307 23.014 17.727 1.00 44.59 N ATOM 107 CA PHE A 9 42.841 23.217 17.718 1.00 42.14 C ATOM 108 C PHE A 9 42.552 24.707 17.548 1.00 41.09 C ATOM 109 O PHE A 9 41.956 25.129 16.578 1.00 40.10 O ATOM 110 CB PHE A 9 42.246 22.712 19.048 1.00 39.48 C ATOM 111 CG PHE A 9 40.821 22.307 18.816 1.00 35.93 C ATOM 112 CD1 PHE A 9 39.803 23.254 18.937 1.00 33.89 C ATOM 113 CD2 PHE A 9 40.524 20.993 18.453 1.00 34.84 C ATOM 114 CE1 PHE A 9 38.482 22.883 18.700 1.00 31.72 C ATOM 115 CE2 PHE A 9 39.203 20.625 18.212 1.00 33.98 C ATOM 116 CZ PHE A 9 38.183 21.574 18.336 1.00 33.09 C ATOM 0 HA PHE A 9 42.390 22.662 16.896 1.00 42.14 H new ATOM 0 HB2 PHE A 9 42.823 21.866 19.423 1.00 39.48 H new ATOM 0 HB3 PHE A 9 42.298 23.494 19.806 1.00 39.48 H new ATOM 0 HD1 PHE A 9 40.039 24.271 19.213 1.00 33.89 H new ATOM 0 HD2 PHE A 9 41.316 20.264 18.359 1.00 34.84 H new ATOM 0 HE1 PHE A 9 37.690 23.611 18.799 1.00 31.72 H new ATOM 0 HE2 PHE A 9 38.967 19.610 17.930 1.00 33.98 H new ATOM 0 HZ PHE A 9 37.158 21.289 18.148 1.00 33.09 H new ATOM 126 N LEU A 10 42.981 25.508 18.482 1.00 40.61 N ATOM 127 CA LEU A 10 42.742 26.969 18.369 1.00 40.95 C ATOM 128 C LEU A 10 43.404 27.474 17.092 1.00 41.08 C ATOM 129 O LEU A 10 42.919 28.381 16.446 1.00 37.24 O ATOM 130 CB LEU A 10 43.334 27.680 19.583 1.00 41.66 C ATOM 131 CG LEU A 10 42.860 26.983 20.862 1.00 43.24 C ATOM 132 CD1 LEU A 10 43.499 27.655 22.065 1.00 42.19 C ATOM 133 CD2 LEU A 10 41.337 27.086 20.983 1.00 41.41 C ATOM 0 H LEU A 10 43.486 25.213 19.317 1.00 40.61 H new ATOM 0 HA LEU A 10 41.672 27.173 18.332 1.00 40.95 H new ATOM 0 HB2 LEU A 10 44.423 27.667 19.531 1.00 41.66 H new ATOM 0 HB3 LEU A 10 43.028 28.726 19.591 1.00 41.66 H new ATOM 0 HG LEU A 10 43.148 25.932 20.823 1.00 43.24 H new ATOM 0 HD11 LEU A 10 43.164 27.162 22.978 1.00 42.19 H new ATOM 0 HD12 LEU A 10 44.584 27.581 21.990 1.00 42.19 H new ATOM 0 HD13 LEU A 10 43.208 28.705 22.092 1.00 42.19 H new ATOM 0 HD21 LEU A 10 41.010 26.587 21.895 1.00 41.41 H new ATOM 0 HD22 LEU A 10 41.045 28.136 21.018 1.00 41.41 H new ATOM 0 HD23 LEU A 10 40.870 26.608 20.121 1.00 41.41 H new ATOM 145 N ASP A 11 44.500 26.882 16.702 1.00 41.30 N ATOM 146 CA ASP A 11 45.155 27.329 15.448 1.00 41.83 C ATOM 147 C ASP A 11 44.156 27.143 14.313 1.00 40.90 C ATOM 148 O ASP A 11 43.833 28.077 13.606 1.00 39.80 O ATOM 149 CB ASP A 11 46.404 26.493 15.177 1.00 44.60 C ATOM 150 CG ASP A 11 47.378 26.631 16.348 1.00 47.53 C ATOM 151 OD1 ASP A 11 47.387 27.684 16.965 1.00 48.01 O ATOM 152 OD2 ASP A 11 48.099 25.682 16.609 1.00 48.56 O ATOM 0 H ASP A 11 44.963 26.117 17.193 1.00 41.30 H new ATOM 0 HA ASP A 11 45.456 28.373 15.531 1.00 41.83 H new ATOM 0 HB2 ASP A 11 46.131 25.447 15.040 1.00 44.60 H new ATOM 0 HB3 ASP A 11 46.881 26.822 14.254 1.00 44.60 H new ATOM 157 N TYR A 12 43.633 25.952 14.139 1.00 39.29 N ATOM 158 CA TYR A 12 42.635 25.760 13.054 1.00 38.27 C ATOM 159 C TYR A 12 41.516 26.765 13.270 1.00 34.82 C ATOM 160 O TYR A 12 41.078 27.432 12.359 1.00 33.76 O ATOM 161 CB TYR A 12 42.011 24.362 13.092 1.00 42.68 C ATOM 162 CG TYR A 12 43.024 23.253 12.857 1.00 45.94 C ATOM 163 CD1 TYR A 12 43.966 23.320 11.811 1.00 47.36 C ATOM 164 CD2 TYR A 12 42.987 22.120 13.678 1.00 48.31 C ATOM 165 CE1 TYR A 12 44.854 22.257 11.603 1.00 48.74 C ATOM 166 CE2 TYR A 12 43.870 21.071 13.469 1.00 49.78 C ATOM 167 CZ TYR A 12 44.805 21.132 12.431 1.00 49.89 C ATOM 168 OH TYR A 12 45.680 20.085 12.226 1.00 52.12 O ATOM 0 H TYR A 12 43.852 25.123 14.692 1.00 39.29 H new ATOM 0 HA TYR A 12 43.139 25.891 12.097 1.00 38.27 H new ATOM 0 HB2 TYR A 12 41.532 24.210 14.059 1.00 42.68 H new ATOM 0 HB3 TYR A 12 41.229 24.298 12.335 1.00 42.68 H new ATOM 0 HD1 TYR A 12 44.003 24.189 11.171 1.00 47.36 H new ATOM 0 HD2 TYR A 12 42.266 22.062 14.480 1.00 48.31 H new ATOM 0 HE1 TYR A 12 45.577 22.307 10.802 1.00 48.74 H new ATOM 0 HE2 TYR A 12 43.835 20.203 14.111 1.00 49.78 H new ATOM 0 HH TYR A 12 45.512 19.384 12.890 1.00 52.12 H new ATOM 178 N CYS A 13 41.052 26.893 14.481 1.00 32.26 N ATOM 179 CA CYS A 13 39.975 27.873 14.743 1.00 30.43 C ATOM 180 C CYS A 13 40.416 29.210 14.162 1.00 30.74 C ATOM 181 O CYS A 13 39.814 29.721 13.249 1.00 28.86 O ATOM 182 CB CYS A 13 39.745 27.996 16.249 1.00 30.34 C ATOM 183 SG CYS A 13 39.518 26.345 16.956 1.00 24.58 S ATOM 0 H CYS A 13 41.372 26.364 15.292 1.00 32.26 H new ATOM 0 HA CYS A 13 39.040 27.554 14.283 1.00 30.43 H new ATOM 0 HB2 CYS A 13 40.594 28.492 16.719 1.00 30.34 H new ATOM 0 HB3 CYS A 13 38.868 28.612 16.445 1.00 30.34 H new ATOM 0 HG CYS A 13 40.582 25.630 16.739 1.00 24.58 H new ATOM 189 N GLN A 14 41.491 29.754 14.662 1.00 32.92 N ATOM 190 CA GLN A 14 41.996 31.045 14.120 1.00 34.93 C ATOM 191 C GLN A 14 42.064 30.955 12.589 1.00 35.74 C ATOM 192 O GLN A 14 41.753 31.895 11.889 1.00 35.15 O ATOM 193 CB GLN A 14 43.390 31.324 14.703 1.00 36.23 C ATOM 194 CG GLN A 14 43.665 32.831 14.713 1.00 40.72 C ATOM 195 CD GLN A 14 43.776 33.354 13.281 1.00 42.88 C ATOM 196 OE1 GLN A 14 44.226 32.568 12.345 1.00 45.84 O flip ATOM 197 NE2 GLN A 14 43.448 34.492 13.011 1.00 44.23 N flip ATOM 0 H GLN A 14 42.042 29.359 15.424 1.00 32.92 H new ATOM 0 HA GLN A 14 41.326 31.859 14.397 1.00 34.93 H new ATOM 0 HB2 GLN A 14 43.455 30.928 15.716 1.00 36.23 H new ATOM 0 HB3 GLN A 14 44.149 30.812 14.112 1.00 36.23 H new ATOM 0 HG2 GLN A 14 42.864 33.351 15.237 1.00 40.72 H new ATOM 0 HG3 GLN A 14 44.587 33.037 15.256 1.00 40.72 H new ATOM 0 HE21 GLN A 14 43.095 35.108 13.743 1.00 44.23 H new ATOM 0 HE22 GLN A 14 43.525 34.831 12.052 1.00 44.23 H new ATOM 206 N LYS A 15 42.441 29.825 12.059 1.00 35.66 N ATOM 207 CA LYS A 15 42.480 29.696 10.576 1.00 36.27 C ATOM 208 C LYS A 15 41.035 29.713 10.087 1.00 34.97 C ATOM 209 O LYS A 15 40.629 30.561 9.326 1.00 34.84 O ATOM 210 CB LYS A 15 43.125 28.364 10.183 1.00 40.22 C ATOM 211 CG LYS A 15 44.565 28.256 10.740 1.00 44.18 C ATOM 212 CD LYS A 15 45.583 28.632 9.661 1.00 47.52 C ATOM 213 CE LYS A 15 46.997 28.395 10.190 1.00 50.10 C ATOM 214 NZ LYS A 15 47.985 29.023 9.268 1.00 50.42 N ATOM 0 H LYS A 15 42.721 28.995 12.581 1.00 35.66 H new ATOM 0 HA LYS A 15 43.060 30.507 10.136 1.00 36.27 H new ATOM 0 HB2 LYS A 15 42.522 27.539 10.562 1.00 40.22 H new ATOM 0 HB3 LYS A 15 43.144 28.272 9.097 1.00 40.22 H new ATOM 0 HG2 LYS A 15 44.679 28.914 11.602 1.00 44.18 H new ATOM 0 HG3 LYS A 15 44.752 27.240 11.088 1.00 44.18 H new ATOM 0 HD2 LYS A 15 45.414 28.037 8.764 1.00 47.52 H new ATOM 0 HD3 LYS A 15 45.460 29.677 9.378 1.00 47.52 H new ATOM 0 HE2 LYS A 15 47.098 28.817 11.190 1.00 50.10 H new ATOM 0 HE3 LYS A 15 47.191 27.326 10.274 1.00 50.10 H new ATOM 0 HZ1 LYS A 15 48.947 28.862 9.628 1.00 50.42 H new ATOM 0 HZ2 LYS A 15 47.894 28.601 8.322 1.00 50.42 H new ATOM 0 HZ3 LYS A 15 47.804 30.045 9.210 1.00 50.42 H new ATOM 228 N LEU A 16 40.238 28.794 10.552 1.00 31.52 N ATOM 229 CA LEU A 16 38.809 28.778 10.142 1.00 30.64 C ATOM 230 C LEU A 16 38.249 30.179 10.384 1.00 29.20 C ATOM 231 O LEU A 16 37.446 30.692 9.631 1.00 30.83 O ATOM 232 CB LEU A 16 38.069 27.732 10.996 1.00 29.49 C ATOM 233 CG LEU A 16 36.850 27.173 10.247 1.00 29.11 C ATOM 234 CD1 LEU A 16 37.283 26.486 8.936 1.00 29.81 C ATOM 235 CD2 LEU A 16 36.138 26.160 11.155 1.00 25.98 C ATOM 0 H LEU A 16 40.514 28.054 11.198 1.00 31.52 H new ATOM 0 HA LEU A 16 38.688 28.514 9.091 1.00 30.64 H new ATOM 0 HB2 LEU A 16 38.748 26.919 11.251 1.00 29.49 H new ATOM 0 HB3 LEU A 16 37.748 28.184 11.934 1.00 29.49 H new ATOM 0 HG LEU A 16 36.176 27.991 9.994 1.00 29.11 H new ATOM 0 HD11 LEU A 16 36.404 26.097 8.421 1.00 29.81 H new ATOM 0 HD12 LEU A 16 37.788 27.209 8.296 1.00 29.81 H new ATOM 0 HD13 LEU A 16 37.963 25.665 9.163 1.00 29.81 H new ATOM 0 HD21 LEU A 16 35.269 25.754 10.636 1.00 25.98 H new ATOM 0 HD22 LEU A 16 36.823 25.350 11.404 1.00 25.98 H new ATOM 0 HD23 LEU A 16 35.815 26.656 12.070 1.00 25.98 H new ATOM 247 N LEU A 17 38.720 30.804 11.422 1.00 27.96 N ATOM 248 CA LEU A 17 38.292 32.192 11.736 1.00 28.93 C ATOM 249 C LEU A 17 38.764 33.084 10.581 1.00 30.06 C ATOM 250 O LEU A 17 38.130 34.056 10.219 1.00 30.41 O ATOM 251 CB LEU A 17 38.978 32.634 13.044 1.00 24.89 C ATOM 252 CG LEU A 17 38.180 33.761 13.739 1.00 25.03 C ATOM 253 CD1 LEU A 17 37.011 33.165 14.560 1.00 21.31 C ATOM 254 CD2 LEU A 17 39.108 34.592 14.675 1.00 20.22 C ATOM 0 H LEU A 17 39.394 30.406 12.076 1.00 27.96 H new ATOM 0 HA LEU A 17 37.211 32.260 11.856 1.00 28.93 H new ATOM 0 HB2 LEU A 17 39.069 31.781 13.716 1.00 24.89 H new ATOM 0 HB3 LEU A 17 39.989 32.980 12.829 1.00 24.89 H new ATOM 0 HG LEU A 17 37.777 34.418 12.968 1.00 25.03 H new ATOM 0 HD11 LEU A 17 36.458 33.970 15.044 1.00 21.31 H new ATOM 0 HD12 LEU A 17 36.344 32.614 13.897 1.00 21.31 H new ATOM 0 HD13 LEU A 17 37.406 32.490 15.319 1.00 21.31 H new ATOM 0 HD21 LEU A 17 38.528 35.380 15.155 1.00 20.22 H new ATOM 0 HD22 LEU A 17 39.534 33.940 15.437 1.00 20.22 H new ATOM 0 HD23 LEU A 17 39.911 35.038 14.088 1.00 20.22 H new ATOM 266 N GLU A 18 39.895 32.741 10.009 1.00 32.20 N ATOM 267 CA GLU A 18 40.460 33.535 8.881 1.00 35.35 C ATOM 268 C GLU A 18 39.826 33.070 7.561 1.00 35.74 C ATOM 269 O GLU A 18 39.404 33.871 6.751 1.00 35.74 O ATOM 270 CB GLU A 18 42.010 33.359 8.881 1.00 37.07 C ATOM 271 CG GLU A 18 42.509 32.439 7.746 1.00 39.76 C ATOM 272 CD GLU A 18 44.025 32.276 7.861 1.00 41.67 C ATOM 273 OE1 GLU A 18 44.492 32.016 8.958 1.00 43.25 O ATOM 274 OE2 GLU A 18 44.695 32.415 6.850 1.00 43.93 O ATOM 0 H GLU A 18 40.454 31.933 10.283 1.00 32.20 H new ATOM 0 HA GLU A 18 40.234 34.595 8.996 1.00 35.35 H new ATOM 0 HB2 GLU A 18 42.482 34.337 8.784 1.00 37.07 H new ATOM 0 HB3 GLU A 18 42.324 32.948 9.840 1.00 37.07 H new ATOM 0 HG2 GLU A 18 42.021 31.466 7.809 1.00 39.76 H new ATOM 0 HG3 GLU A 18 42.249 32.864 6.776 1.00 39.76 H new ATOM 281 N LYS A 19 39.756 31.784 7.339 1.00 37.19 N ATOM 282 CA LYS A 19 39.151 31.281 6.075 1.00 36.85 C ATOM 283 C LYS A 19 37.810 31.981 5.846 1.00 36.69 C ATOM 284 O LYS A 19 37.521 32.464 4.769 1.00 36.88 O ATOM 285 CB LYS A 19 38.957 29.769 6.170 1.00 36.86 C ATOM 286 CG LYS A 19 39.009 29.162 4.757 1.00 40.15 C ATOM 287 CD LYS A 19 38.281 27.836 4.758 1.00 41.50 C ATOM 288 CE LYS A 19 38.576 27.080 3.461 1.00 44.93 C ATOM 289 NZ LYS A 19 38.662 28.047 2.331 1.00 44.88 N ATOM 0 H LYS A 19 40.091 31.063 7.978 1.00 37.19 H new ATOM 0 HA LYS A 19 39.810 31.496 5.234 1.00 36.85 H new ATOM 0 HB2 LYS A 19 39.733 29.329 6.796 1.00 36.86 H new ATOM 0 HB3 LYS A 19 38.001 29.542 6.641 1.00 36.86 H new ATOM 0 HG2 LYS A 19 38.550 29.842 4.039 1.00 40.15 H new ATOM 0 HG3 LYS A 19 40.044 29.022 4.446 1.00 40.15 H new ATOM 0 HD2 LYS A 19 38.593 27.240 5.616 1.00 41.50 H new ATOM 0 HD3 LYS A 19 37.208 28.000 4.858 1.00 41.50 H new ATOM 0 HE2 LYS A 19 39.512 26.529 3.554 1.00 44.93 H new ATOM 0 HE3 LYS A 19 37.792 26.348 3.268 1.00 44.93 H new ATOM 0 HZ1 LYS A 19 38.590 27.534 1.429 1.00 44.88 H new ATOM 0 HZ2 LYS A 19 37.884 28.734 2.402 1.00 44.88 H new ATOM 0 HZ3 LYS A 19 39.572 28.549 2.372 1.00 44.88 H new ATOM 303 N PHE A 20 36.996 32.051 6.863 1.00 34.99 N ATOM 304 CA PHE A 20 35.679 32.728 6.738 1.00 34.93 C ATOM 305 C PHE A 20 35.828 34.170 7.228 1.00 34.32 C ATOM 306 O PHE A 20 34.889 34.941 7.225 1.00 35.01 O ATOM 307 CB PHE A 20 34.672 31.993 7.615 1.00 34.20 C ATOM 308 CG PHE A 20 34.275 30.698 6.954 1.00 33.79 C ATOM 309 CD1 PHE A 20 35.071 29.561 7.123 1.00 32.30 C ATOM 310 CD2 PHE A 20 33.119 30.635 6.169 1.00 34.75 C ATOM 311 CE1 PHE A 20 34.713 28.359 6.507 1.00 34.86 C ATOM 312 CE2 PHE A 20 32.761 29.434 5.550 1.00 35.66 C ATOM 313 CZ PHE A 20 33.558 28.295 5.719 1.00 35.69 C ATOM 0 H PHE A 20 37.192 31.662 7.786 1.00 34.99 H new ATOM 0 HA PHE A 20 35.338 32.723 5.703 1.00 34.93 H new ATOM 0 HB2 PHE A 20 35.105 31.795 8.595 1.00 34.20 H new ATOM 0 HB3 PHE A 20 33.792 32.616 7.776 1.00 34.20 H new ATOM 0 HD1 PHE A 20 35.963 29.612 7.730 1.00 32.30 H new ATOM 0 HD2 PHE A 20 32.504 31.513 6.041 1.00 34.75 H new ATOM 0 HE1 PHE A 20 35.327 27.480 6.639 1.00 34.86 H new ATOM 0 HE2 PHE A 20 31.870 29.384 4.942 1.00 35.66 H new ATOM 0 HZ PHE A 20 33.281 27.367 5.241 1.00 35.69 H new ATOM 323 N ARG A 21 37.011 34.529 7.651 1.00 34.35 N ATOM 324 CA ARG A 21 37.255 35.913 8.148 1.00 34.08 C ATOM 325 C ARG A 21 36.252 36.261 9.251 1.00 33.06 C ATOM 326 O ARG A 21 35.815 37.389 9.365 1.00 31.60 O ATOM 327 CB ARG A 21 37.113 36.912 6.994 1.00 37.64 C ATOM 328 CG ARG A 21 38.301 36.767 6.029 1.00 41.19 C ATOM 329 CD ARG A 21 39.619 37.216 6.708 1.00 45.12 C ATOM 330 NE ARG A 21 40.400 38.100 5.782 1.00 48.87 N ATOM 331 CZ ARG A 21 40.586 37.778 4.527 1.00 50.17 C ATOM 332 NH1 ARG A 21 40.175 36.628 4.071 1.00 52.38 N ATOM 333 NH2 ARG A 21 41.213 38.602 3.732 1.00 50.69 N ATOM 0 H ARG A 21 37.826 33.916 7.673 1.00 34.35 H new ATOM 0 HA ARG A 21 38.265 35.968 8.553 1.00 34.08 H new ATOM 0 HB2 ARG A 21 36.178 36.737 6.462 1.00 37.64 H new ATOM 0 HB3 ARG A 21 37.072 37.929 7.384 1.00 37.64 H new ATOM 0 HG2 ARG A 21 38.388 35.730 5.706 1.00 41.19 H new ATOM 0 HG3 ARG A 21 38.125 37.366 5.135 1.00 41.19 H new ATOM 0 HD2 ARG A 21 39.398 37.750 7.632 1.00 45.12 H new ATOM 0 HD3 ARG A 21 40.214 36.343 6.978 1.00 45.12 H new ATOM 0 HE ARG A 21 40.795 38.971 6.138 1.00 48.87 H new ATOM 0 HH11 ARG A 21 39.704 35.971 4.694 1.00 52.38 H new ATOM 0 HH12 ARG A 21 40.324 36.385 3.092 1.00 52.38 H new ATOM 0 HH21 ARG A 21 41.556 39.494 4.089 1.00 50.69 H new ATOM 0 HH22 ARG A 21 41.360 38.354 2.753 1.00 50.69 H new ATOM 347 N TYR A 22 35.883 35.311 10.071 1.00 30.22 N ATOM 348 CA TYR A 22 34.916 35.616 11.157 1.00 29.11 C ATOM 349 C TYR A 22 35.612 36.523 12.204 1.00 27.15 C ATOM 350 O TYR A 22 36.814 36.446 12.353 1.00 25.96 O ATOM 351 CB TYR A 22 34.499 34.298 11.832 1.00 27.09 C ATOM 352 CG TYR A 22 33.390 33.603 11.049 1.00 27.40 C ATOM 353 CD1 TYR A 22 32.172 34.255 10.788 1.00 26.95 C ATOM 354 CD2 TYR A 22 33.586 32.296 10.578 1.00 25.13 C ATOM 355 CE1 TYR A 22 31.168 33.605 10.062 1.00 26.07 C ATOM 356 CE2 TYR A 22 32.578 31.648 9.854 1.00 24.89 C ATOM 357 CZ TYR A 22 31.370 32.304 9.595 1.00 24.53 C ATOM 358 OH TYR A 22 30.378 31.665 8.879 1.00 21.93 O ATOM 0 H TYR A 22 36.209 34.345 10.033 1.00 30.22 H new ATOM 0 HA TYR A 22 34.039 36.121 10.752 1.00 29.11 H new ATOM 0 HB2 TYR A 22 35.362 33.637 11.909 1.00 27.09 H new ATOM 0 HB3 TYR A 22 34.159 34.499 12.848 1.00 27.09 H new ATOM 0 HD1 TYR A 22 32.011 35.260 11.149 1.00 26.95 H new ATOM 0 HD2 TYR A 22 34.518 31.788 10.775 1.00 25.13 H new ATOM 0 HE1 TYR A 22 30.235 34.110 9.862 1.00 26.07 H new ATOM 0 HE2 TYR A 22 32.733 30.641 9.495 1.00 24.89 H new ATOM 0 HH TYR A 22 30.569 31.735 7.920 1.00 21.93 H new ATOM 368 N PRO A 23 34.855 37.340 12.919 1.00 25.95 N ATOM 369 CA PRO A 23 35.439 38.213 13.958 1.00 26.49 C ATOM 370 C PRO A 23 36.190 37.360 14.995 1.00 26.35 C ATOM 371 O PRO A 23 36.169 36.148 14.945 1.00 24.48 O ATOM 372 CB PRO A 23 34.231 38.935 14.602 1.00 27.06 C ATOM 373 CG PRO A 23 32.951 38.458 13.859 1.00 29.61 C ATOM 374 CD PRO A 23 33.393 37.469 12.756 1.00 27.83 C ATOM 0 HA PRO A 23 36.159 38.924 13.553 1.00 26.49 H new ATOM 0 HB2 PRO A 23 34.167 38.702 15.665 1.00 27.06 H new ATOM 0 HB3 PRO A 23 34.342 40.016 14.519 1.00 27.06 H new ATOM 0 HG2 PRO A 23 32.263 37.975 14.553 1.00 29.61 H new ATOM 0 HG3 PRO A 23 32.422 39.306 13.424 1.00 29.61 H new ATOM 0 HD2 PRO A 23 32.897 36.505 12.869 1.00 27.83 H new ATOM 0 HD3 PRO A 23 33.138 37.844 11.765 1.00 27.83 H new ATOM 382 N TRP A 24 36.844 37.989 15.934 1.00 23.75 N ATOM 383 CA TRP A 24 37.588 37.218 16.976 1.00 24.21 C ATOM 384 C TRP A 24 36.615 36.717 18.046 1.00 24.68 C ATOM 385 O TRP A 24 36.947 35.869 18.851 1.00 22.18 O ATOM 386 CB TRP A 24 38.648 38.116 17.630 1.00 24.39 C ATOM 387 CG TRP A 24 39.254 37.407 18.804 1.00 26.00 C ATOM 388 CD1 TRP A 24 39.048 37.736 20.101 1.00 27.56 C ATOM 389 CD2 TRP A 24 40.145 36.254 18.812 1.00 24.99 C ATOM 390 NE1 TRP A 24 39.756 36.858 20.903 1.00 24.44 N ATOM 391 CE2 TRP A 24 40.448 35.926 20.155 1.00 27.17 C ATOM 392 CE3 TRP A 24 40.715 35.469 17.794 1.00 27.07 C ATOM 393 CZ2 TRP A 24 41.285 34.856 20.476 1.00 26.88 C ATOM 394 CZ3 TRP A 24 41.558 34.392 18.115 1.00 28.86 C ATOM 395 CH2 TRP A 24 41.842 34.087 19.453 1.00 27.85 C ATOM 0 H TRP A 24 36.896 39.003 16.026 1.00 23.75 H new ATOM 0 HA TRP A 24 38.077 36.365 16.504 1.00 24.21 H new ATOM 0 HB2 TRP A 24 39.422 38.368 16.906 1.00 24.39 H new ATOM 0 HB3 TRP A 24 38.196 39.054 17.953 1.00 24.39 H new ATOM 0 HD1 TRP A 24 38.432 38.550 20.452 1.00 27.56 H new ATOM 0 HE1 TRP A 24 39.766 36.895 21.922 1.00 24.44 H new ATOM 0 HE3 TRP A 24 40.503 35.695 16.759 1.00 27.07 H new ATOM 0 HZ2 TRP A 24 41.500 34.625 21.509 1.00 26.88 H new ATOM 0 HZ3 TRP A 24 41.990 33.795 17.325 1.00 28.86 H new ATOM 0 HH2 TRP A 24 42.491 33.258 19.692 1.00 27.85 H new ATOM 406 N GLU A 25 35.426 37.245 18.078 1.00 21.18 N ATOM 407 CA GLU A 25 34.448 36.810 19.113 1.00 25.10 C ATOM 408 C GLU A 25 33.825 35.456 18.743 1.00 23.53 C ATOM 409 O GLU A 25 33.176 34.835 19.559 1.00 22.15 O ATOM 410 CB GLU A 25 33.361 37.881 19.267 1.00 30.80 C ATOM 411 CG GLU A 25 32.528 38.015 17.967 1.00 38.77 C ATOM 412 CD GLU A 25 32.496 39.475 17.492 1.00 43.31 C ATOM 413 OE1 GLU A 25 33.547 40.094 17.475 1.00 46.36 O ATOM 414 OE2 GLU A 25 31.423 39.944 17.152 1.00 45.94 O ATOM 0 H GLU A 25 35.088 37.959 17.433 1.00 21.18 H new ATOM 0 HA GLU A 25 34.968 36.686 20.063 1.00 25.10 H new ATOM 0 HB2 GLU A 25 32.705 37.622 20.099 1.00 30.80 H new ATOM 0 HB3 GLU A 25 33.821 38.839 19.509 1.00 30.80 H new ATOM 0 HG2 GLU A 25 32.955 37.383 17.188 1.00 38.77 H new ATOM 0 HG3 GLU A 25 31.512 37.662 18.142 1.00 38.77 H new ATOM 421 N LEU A 26 34.000 34.988 17.525 1.00 21.26 N ATOM 422 CA LEU A 26 33.399 33.668 17.133 1.00 20.65 C ATOM 423 C LEU A 26 34.402 32.531 17.313 1.00 20.00 C ATOM 424 O LEU A 26 34.250 31.472 16.738 1.00 16.59 O ATOM 425 CB LEU A 26 32.945 33.711 15.674 1.00 23.25 C ATOM 426 CG LEU A 26 32.100 34.966 15.412 1.00 26.24 C ATOM 427 CD1 LEU A 26 31.336 34.790 14.103 1.00 29.07 C ATOM 428 CD2 LEU A 26 31.088 35.188 16.543 1.00 26.56 C ATOM 0 H LEU A 26 34.529 35.459 16.791 1.00 21.26 H new ATOM 0 HA LEU A 26 32.542 33.485 17.782 1.00 20.65 H new ATOM 0 HB2 LEU A 26 33.814 33.706 15.016 1.00 23.25 H new ATOM 0 HB3 LEU A 26 32.364 32.819 15.441 1.00 23.25 H new ATOM 0 HG LEU A 26 32.767 35.827 15.357 1.00 26.24 H new ATOM 0 HD11 LEU A 26 30.734 35.678 13.911 1.00 29.07 H new ATOM 0 HD12 LEU A 26 32.043 34.647 13.286 1.00 29.07 H new ATOM 0 HD13 LEU A 26 30.685 33.919 14.176 1.00 29.07 H new ATOM 0 HD21 LEU A 26 30.501 36.083 16.335 1.00 26.56 H new ATOM 0 HD22 LEU A 26 30.424 34.326 16.612 1.00 26.56 H new ATOM 0 HD23 LEU A 26 31.619 35.313 17.487 1.00 26.56 H new ATOM 440 N MET A 27 35.400 32.708 18.134 1.00 18.56 N ATOM 441 CA MET A 27 36.346 31.588 18.350 1.00 17.95 C ATOM 442 C MET A 27 35.610 30.431 19.057 1.00 17.26 C ATOM 443 O MET A 27 35.845 29.287 18.720 1.00 15.06 O ATOM 444 CB MET A 27 37.568 32.037 19.173 1.00 20.02 C ATOM 445 CG MET A 27 38.545 32.781 18.272 1.00 18.07 C ATOM 446 SD MET A 27 39.388 31.612 17.171 1.00 11.26 S ATOM 447 CE MET A 27 40.332 30.720 18.432 1.00 20.89 C ATOM 0 H MET A 27 35.596 33.563 18.654 1.00 18.56 H new ATOM 0 HA MET A 27 36.714 31.248 17.382 1.00 17.95 H new ATOM 0 HB2 MET A 27 37.250 32.682 19.993 1.00 20.02 H new ATOM 0 HB3 MET A 27 38.057 31.171 19.620 1.00 20.02 H new ATOM 0 HG2 MET A 27 38.013 33.528 17.683 1.00 18.07 H new ATOM 0 HG3 MET A 27 39.277 33.315 18.878 1.00 18.07 H new ATOM 0 HE1 MET A 27 41.271 30.370 18.004 1.00 20.89 H new ATOM 0 HE2 MET A 27 40.541 31.386 19.269 1.00 20.89 H new ATOM 0 HE3 MET A 27 39.753 29.866 18.784 1.00 20.89 H new ATOM 457 N PRO A 28 34.720 30.726 20.003 1.00 16.29 N ATOM 458 CA PRO A 28 33.969 29.660 20.691 1.00 17.09 C ATOM 459 C PRO A 28 33.131 28.887 19.666 1.00 15.81 C ATOM 460 O PRO A 28 32.812 27.742 19.862 1.00 16.73 O ATOM 461 CB PRO A 28 33.080 30.402 21.717 1.00 16.95 C ATOM 462 CG PRO A 28 33.602 31.857 21.780 1.00 18.75 C ATOM 463 CD PRO A 28 34.385 32.092 20.478 1.00 16.75 C ATOM 0 HA PRO A 28 34.609 28.929 21.185 1.00 17.09 H new ATOM 0 HB2 PRO A 28 32.034 30.378 21.412 1.00 16.95 H new ATOM 0 HB3 PRO A 28 33.138 29.926 22.696 1.00 16.95 H new ATOM 0 HG2 PRO A 28 32.776 32.563 21.870 1.00 18.75 H new ATOM 0 HG3 PRO A 28 34.242 32.003 22.650 1.00 18.75 H new ATOM 0 HD2 PRO A 28 33.786 32.633 19.745 1.00 16.75 H new ATOM 0 HD3 PRO A 28 35.283 32.684 20.655 1.00 16.75 H new ATOM 471 N LEU A 29 32.782 29.506 18.569 1.00 15.35 N ATOM 472 CA LEU A 29 31.977 28.790 17.535 1.00 15.54 C ATOM 473 C LEU A 29 32.924 28.016 16.620 1.00 15.13 C ATOM 474 O LEU A 29 32.791 26.820 16.455 1.00 14.57 O ATOM 475 CB LEU A 29 31.160 29.799 16.726 1.00 15.26 C ATOM 476 CG LEU A 29 30.394 30.719 17.686 1.00 13.96 C ATOM 477 CD1 LEU A 29 29.526 31.687 16.876 1.00 15.02 C ATOM 478 CD2 LEU A 29 29.497 29.878 18.611 1.00 15.96 C ATOM 0 H LEU A 29 33.018 30.473 18.344 1.00 15.35 H new ATOM 0 HA LEU A 29 31.289 28.094 18.014 1.00 15.54 H new ATOM 0 HB2 LEU A 29 31.818 30.388 16.087 1.00 15.26 H new ATOM 0 HB3 LEU A 29 30.463 29.277 16.070 1.00 15.26 H new ATOM 0 HG LEU A 29 31.105 31.281 18.291 1.00 13.96 H new ATOM 0 HD11 LEU A 29 28.980 32.342 17.555 1.00 15.02 H new ATOM 0 HD12 LEU A 29 30.161 32.287 16.225 1.00 15.02 H new ATOM 0 HD13 LEU A 29 28.818 31.121 16.271 1.00 15.02 H new ATOM 0 HD21 LEU A 29 28.956 30.537 19.290 1.00 15.96 H new ATOM 0 HD22 LEU A 29 28.785 29.311 18.011 1.00 15.96 H new ATOM 0 HD23 LEU A 29 30.114 29.189 19.188 1.00 15.96 H new ATOM 490 N MET A 30 33.900 28.668 16.043 1.00 15.06 N ATOM 491 CA MET A 30 34.855 27.928 15.177 1.00 12.45 C ATOM 492 C MET A 30 35.406 26.761 15.991 1.00 12.90 C ATOM 493 O MET A 30 35.667 25.689 15.481 1.00 14.81 O ATOM 494 CB MET A 30 36.011 28.845 14.776 1.00 15.01 C ATOM 495 CG MET A 30 35.511 29.961 13.859 1.00 12.65 C ATOM 496 SD MET A 30 34.923 29.251 12.296 1.00 8.44 S ATOM 497 CE MET A 30 33.184 29.727 12.445 1.00 27.75 C ATOM 0 H MET A 30 34.073 29.669 16.134 1.00 15.06 H new ATOM 0 HA MET A 30 34.354 27.577 14.275 1.00 12.45 H new ATOM 0 HB2 MET A 30 36.469 29.275 15.667 1.00 15.01 H new ATOM 0 HB3 MET A 30 36.783 28.267 14.268 1.00 15.01 H new ATOM 0 HG2 MET A 30 34.705 30.511 14.345 1.00 12.65 H new ATOM 0 HG3 MET A 30 36.313 30.674 13.667 1.00 12.65 H new ATOM 0 HE1 MET A 30 32.650 29.442 11.539 1.00 27.75 H new ATOM 0 HE2 MET A 30 32.740 29.220 13.302 1.00 27.75 H new ATOM 0 HE3 MET A 30 33.113 30.806 12.584 1.00 27.75 H new ATOM 507 N TYR A 31 35.574 26.976 17.267 1.00 13.07 N ATOM 508 CA TYR A 31 36.098 25.903 18.152 1.00 15.35 C ATOM 509 C TYR A 31 35.150 24.698 18.109 1.00 16.32 C ATOM 510 O TYR A 31 35.551 23.589 17.814 1.00 15.86 O ATOM 511 CB TYR A 31 36.191 26.436 19.587 1.00 14.82 C ATOM 512 CG TYR A 31 36.531 25.306 20.530 1.00 17.46 C ATOM 513 CD1 TYR A 31 35.510 24.491 21.033 1.00 20.04 C ATOM 514 CD2 TYR A 31 37.862 25.071 20.903 1.00 19.91 C ATOM 515 CE1 TYR A 31 35.812 23.444 21.906 1.00 21.64 C ATOM 516 CE2 TYR A 31 38.163 24.020 21.775 1.00 22.38 C ATOM 517 CZ TYR A 31 37.140 23.206 22.277 1.00 23.93 C ATOM 518 OH TYR A 31 37.441 22.172 23.139 1.00 30.09 O ATOM 0 H TYR A 31 35.368 27.858 17.736 1.00 13.07 H new ATOM 0 HA TYR A 31 37.087 25.595 17.813 1.00 15.35 H new ATOM 0 HB2 TYR A 31 36.952 27.214 19.647 1.00 14.82 H new ATOM 0 HB3 TYR A 31 35.245 26.892 19.878 1.00 14.82 H new ATOM 0 HD1 TYR A 31 34.485 24.673 20.745 1.00 20.04 H new ATOM 0 HD2 TYR A 31 38.652 25.699 20.518 1.00 19.91 H new ATOM 0 HE1 TYR A 31 35.022 22.819 22.294 1.00 21.64 H new ATOM 0 HE2 TYR A 31 39.188 23.835 22.062 1.00 22.38 H new ATOM 0 HH TYR A 31 38.409 22.145 23.292 1.00 30.09 H new ATOM 528 N VAL A 32 33.897 24.907 18.410 1.00 16.31 N ATOM 529 CA VAL A 32 32.923 23.776 18.400 1.00 13.79 C ATOM 530 C VAL A 32 32.869 23.136 17.012 1.00 15.33 C ATOM 531 O VAL A 32 33.009 21.939 16.871 1.00 15.78 O ATOM 532 CB VAL A 32 31.532 24.294 18.772 1.00 15.68 C ATOM 533 CG1 VAL A 32 30.554 23.123 18.807 1.00 14.40 C ATOM 534 CG2 VAL A 32 31.578 24.958 20.152 1.00 13.96 C ATOM 0 H VAL A 32 33.504 25.814 18.663 1.00 16.31 H new ATOM 0 HA VAL A 32 33.245 23.029 19.125 1.00 13.79 H new ATOM 0 HB VAL A 32 31.208 25.025 18.032 1.00 15.68 H new ATOM 0 HG11 VAL A 32 29.561 23.486 19.072 1.00 14.40 H new ATOM 0 HG12 VAL A 32 30.518 22.650 17.826 1.00 14.40 H new ATOM 0 HG13 VAL A 32 30.884 22.396 19.549 1.00 14.40 H new ATOM 0 HG21 VAL A 32 30.585 25.325 20.412 1.00 13.96 H new ATOM 0 HG22 VAL A 32 31.902 24.230 20.896 1.00 13.96 H new ATOM 0 HG23 VAL A 32 32.279 25.792 20.131 1.00 13.96 H new ATOM 544 N ILE A 33 32.660 23.916 15.985 1.00 13.65 N ATOM 545 CA ILE A 33 32.592 23.340 14.611 1.00 13.17 C ATOM 546 C ILE A 33 33.743 22.337 14.410 1.00 15.24 C ATOM 547 O ILE A 33 33.527 21.168 14.157 1.00 15.62 O ATOM 548 CB ILE A 33 32.679 24.497 13.602 1.00 15.80 C ATOM 549 CG1 ILE A 33 31.328 25.240 13.590 1.00 14.63 C ATOM 550 CG2 ILE A 33 32.984 23.954 12.205 1.00 15.09 C ATOM 551 CD1 ILE A 33 31.442 26.605 12.887 1.00 15.66 C ATOM 0 H ILE A 33 32.534 24.927 16.038 1.00 13.65 H new ATOM 0 HA ILE A 33 31.655 22.803 14.463 1.00 13.17 H new ATOM 0 HB ILE A 33 33.479 25.179 13.891 1.00 15.80 H new ATOM 0 HG12 ILE A 33 30.580 24.630 13.083 1.00 14.63 H new ATOM 0 HG13 ILE A 33 30.982 25.384 14.613 1.00 14.63 H new ATOM 0 HG21 ILE A 33 33.043 24.781 11.498 1.00 15.09 H new ATOM 0 HG22 ILE A 33 33.935 23.421 12.221 1.00 15.09 H new ATOM 0 HG23 ILE A 33 32.191 23.272 11.899 1.00 15.09 H new ATOM 0 HD11 ILE A 33 30.472 27.101 12.897 1.00 15.66 H new ATOM 0 HD12 ILE A 33 32.171 27.224 13.410 1.00 15.66 H new ATOM 0 HD13 ILE A 33 31.764 26.458 11.856 1.00 15.66 H new ATOM 563 N LEU A 34 34.954 22.788 14.543 1.00 16.71 N ATOM 564 CA LEU A 34 36.139 21.884 14.390 1.00 19.71 C ATOM 565 C LEU A 34 35.955 20.644 15.292 1.00 20.61 C ATOM 566 O LEU A 34 36.232 19.532 14.890 1.00 22.08 O ATOM 567 CB LEU A 34 37.396 22.698 14.830 1.00 19.59 C ATOM 568 CG LEU A 34 38.365 23.184 13.669 1.00 26.84 C ATOM 569 CD1 LEU A 34 37.891 22.874 12.241 1.00 24.93 C ATOM 570 CD2 LEU A 34 38.569 24.707 13.773 1.00 27.25 C ATOM 0 H LEU A 34 35.184 23.759 14.755 1.00 16.71 H new ATOM 0 HA LEU A 34 36.250 21.542 13.361 1.00 19.71 H new ATOM 0 HB2 LEU A 34 37.059 23.575 15.383 1.00 19.59 H new ATOM 0 HB3 LEU A 34 37.973 22.087 15.523 1.00 19.59 H new ATOM 0 HG LEU A 34 39.285 22.621 13.823 1.00 26.84 H new ATOM 0 HD11 LEU A 34 38.624 23.247 11.525 1.00 24.93 H new ATOM 0 HD12 LEU A 34 37.782 21.796 12.120 1.00 24.93 H new ATOM 0 HD13 LEU A 34 36.931 23.358 12.063 1.00 24.93 H new ATOM 0 HD21 LEU A 34 39.234 25.040 12.976 1.00 27.25 H new ATOM 0 HD22 LEU A 34 37.607 25.210 13.677 1.00 27.25 H new ATOM 0 HD23 LEU A 34 39.011 24.950 14.739 1.00 27.25 H new ATOM 582 N LYS A 35 35.505 20.830 16.500 1.00 19.14 N ATOM 583 CA LYS A 35 35.319 19.664 17.425 1.00 20.97 C ATOM 584 C LYS A 35 34.480 18.582 16.750 1.00 22.25 C ATOM 585 O LYS A 35 34.647 17.405 17.001 1.00 22.80 O ATOM 586 CB LYS A 35 34.605 20.134 18.703 1.00 22.98 C ATOM 587 CG LYS A 35 34.691 19.042 19.773 1.00 26.83 C ATOM 588 CD LYS A 35 34.180 19.591 21.107 1.00 29.91 C ATOM 589 CE LYS A 35 34.015 18.443 22.106 1.00 33.36 C ATOM 590 NZ LYS A 35 32.778 17.677 21.784 1.00 35.88 N ATOM 0 H LYS A 35 35.256 21.738 16.893 1.00 19.14 H new ATOM 0 HA LYS A 35 36.297 19.253 17.675 1.00 20.97 H new ATOM 0 HB2 LYS A 35 35.062 21.053 19.070 1.00 22.98 H new ATOM 0 HB3 LYS A 35 33.562 20.362 18.485 1.00 22.98 H new ATOM 0 HG2 LYS A 35 34.099 18.177 19.473 1.00 26.83 H new ATOM 0 HG3 LYS A 35 35.721 18.702 19.878 1.00 26.83 H new ATOM 0 HD2 LYS A 35 34.879 20.330 21.499 1.00 29.91 H new ATOM 0 HD3 LYS A 35 33.227 20.099 20.961 1.00 29.91 H new ATOM 0 HE2 LYS A 35 34.883 17.785 22.067 1.00 33.36 H new ATOM 0 HE3 LYS A 35 33.958 18.836 23.121 1.00 33.36 H new ATOM 0 HZ1 LYS A 35 32.517 17.082 22.596 1.00 35.88 H new ATOM 0 HZ2 LYS A 35 32.004 18.339 21.576 1.00 35.88 H new ATOM 0 HZ3 LYS A 35 32.949 17.074 20.954 1.00 35.88 H new ATOM 604 N ASP A 36 33.567 18.971 15.915 1.00 20.87 N ATOM 605 CA ASP A 36 32.693 17.975 15.235 1.00 18.89 C ATOM 606 C ASP A 36 33.342 17.475 13.942 1.00 17.97 C ATOM 607 O ASP A 36 33.086 16.377 13.491 1.00 19.23 O ATOM 608 CB ASP A 36 31.368 18.658 14.922 1.00 16.73 C ATOM 609 CG ASP A 36 30.970 19.524 16.121 1.00 19.06 C ATOM 610 OD1 ASP A 36 30.823 18.975 17.201 1.00 14.84 O ATOM 611 OD2 ASP A 36 30.820 20.721 15.939 1.00 17.75 O ATOM 0 H ASP A 36 33.384 19.944 15.669 1.00 20.87 H new ATOM 0 HA ASP A 36 32.539 17.112 15.883 1.00 18.89 H new ATOM 0 HB2 ASP A 36 31.461 19.272 14.026 1.00 16.73 H new ATOM 0 HB3 ASP A 36 30.597 17.914 14.720 1.00 16.73 H new ATOM 616 N ALA A 37 34.165 18.281 13.335 1.00 19.53 N ATOM 617 CA ALA A 37 34.822 17.875 12.056 1.00 20.29 C ATOM 618 C ALA A 37 36.213 17.314 12.337 1.00 23.93 C ATOM 619 O ALA A 37 37.133 17.514 11.569 1.00 23.82 O ATOM 620 CB ALA A 37 34.946 19.113 11.174 1.00 19.16 C ATOM 0 H ALA A 37 34.415 19.211 13.670 1.00 19.53 H new ATOM 0 HA ALA A 37 34.228 17.107 11.560 1.00 20.29 H new ATOM 0 HB1 ALA A 37 35.424 18.842 10.232 1.00 19.16 H new ATOM 0 HB2 ALA A 37 33.954 19.518 10.974 1.00 19.16 H new ATOM 0 HB3 ALA A 37 35.549 19.864 11.684 1.00 19.16 H new ATOM 626 N ASP A 38 36.389 16.630 13.425 1.00 25.04 N ATOM 627 CA ASP A 38 37.737 16.090 13.725 1.00 29.02 C ATOM 628 C ASP A 38 38.734 17.250 13.689 1.00 30.09 C ATOM 629 O ASP A 38 39.931 17.061 13.611 1.00 29.56 O ATOM 630 CB ASP A 38 38.106 15.041 12.666 1.00 31.78 C ATOM 631 CG ASP A 38 39.159 14.080 13.227 1.00 34.21 C ATOM 632 OD1 ASP A 38 38.876 13.442 14.227 1.00 37.98 O ATOM 633 OD2 ASP A 38 40.228 13.999 12.645 1.00 39.08 O ATOM 0 H ASP A 38 35.666 16.422 14.114 1.00 25.04 H new ATOM 0 HA ASP A 38 37.755 15.619 14.708 1.00 29.02 H new ATOM 0 HB2 ASP A 38 37.217 14.486 12.367 1.00 31.78 H new ATOM 0 HB3 ASP A 38 38.490 15.533 11.773 1.00 31.78 H new ATOM 638 N ALA A 39 38.226 18.452 13.739 1.00 30.33 N ATOM 639 CA ALA A 39 39.094 19.657 13.705 1.00 32.12 C ATOM 640 C ALA A 39 39.711 19.818 12.312 1.00 33.86 C ATOM 641 O ALA A 39 40.579 20.641 12.099 1.00 34.96 O ATOM 642 CB ALA A 39 40.189 19.532 14.765 1.00 32.67 C ATOM 0 H ALA A 39 37.227 18.650 13.803 1.00 30.33 H new ATOM 0 HA ALA A 39 38.494 20.541 13.922 1.00 32.12 H new ATOM 0 HB1 ALA A 39 40.824 20.417 14.738 1.00 32.67 H new ATOM 0 HB2 ALA A 39 39.733 19.443 15.751 1.00 32.67 H new ATOM 0 HB3 ALA A 39 40.792 18.647 14.563 1.00 32.67 H new ATOM 648 N ASN A 40 39.258 19.051 11.357 1.00 33.92 N ATOM 649 CA ASN A 40 39.808 19.177 9.976 1.00 34.20 C ATOM 650 C ASN A 40 39.075 20.318 9.263 1.00 34.98 C ATOM 651 O ASN A 40 37.941 20.180 8.848 1.00 32.10 O ATOM 652 CB ASN A 40 39.594 17.860 9.215 1.00 33.87 C ATOM 653 CG ASN A 40 40.699 16.865 9.581 1.00 32.69 C ATOM 654 OD1 ASN A 40 41.130 16.807 10.715 1.00 34.27 O ATOM 655 ND2 ASN A 40 41.179 16.076 8.659 1.00 33.64 N ATOM 0 H ASN A 40 38.532 18.344 11.473 1.00 33.92 H new ATOM 0 HA ASN A 40 40.876 19.391 10.014 1.00 34.20 H new ATOM 0 HB2 ASN A 40 38.618 17.441 9.462 1.00 33.87 H new ATOM 0 HB3 ASN A 40 39.599 18.045 8.141 1.00 33.87 H new ATOM 0 HD21 ASN A 40 41.916 15.410 8.891 1.00 33.64 H new ATOM 0 HD22 ASN A 40 40.817 16.125 7.707 1.00 33.64 H new ATOM 662 N ILE A 41 39.713 21.450 9.135 1.00 35.49 N ATOM 663 CA ILE A 41 39.061 22.616 8.469 1.00 37.55 C ATOM 664 C ILE A 41 38.347 22.171 7.194 1.00 36.60 C ATOM 665 O ILE A 41 37.192 22.474 6.991 1.00 34.64 O ATOM 666 CB ILE A 41 40.130 23.668 8.141 1.00 39.67 C ATOM 667 CG1 ILE A 41 40.594 24.289 9.472 1.00 42.22 C ATOM 668 CG2 ILE A 41 39.563 24.752 7.174 1.00 40.78 C ATOM 669 CD1 ILE A 41 41.610 25.409 9.231 1.00 44.19 C ATOM 0 H ILE A 41 40.663 21.619 9.465 1.00 35.49 H new ATOM 0 HA ILE A 41 38.319 23.048 9.140 1.00 37.55 H new ATOM 0 HB ILE A 41 40.976 23.207 7.631 1.00 39.67 H new ATOM 0 HG12 ILE A 41 39.734 24.684 10.013 1.00 42.22 H new ATOM 0 HG13 ILE A 41 41.039 23.518 10.101 1.00 42.22 H new ATOM 0 HG21 ILE A 41 40.338 25.486 6.956 1.00 40.78 H new ATOM 0 HG22 ILE A 41 39.240 24.279 6.247 1.00 40.78 H new ATOM 0 HG23 ILE A 41 38.714 25.249 7.643 1.00 40.78 H new ATOM 0 HD11 ILE A 41 41.921 25.830 10.187 1.00 44.19 H new ATOM 0 HD12 ILE A 41 42.480 25.006 8.712 1.00 44.19 H new ATOM 0 HD13 ILE A 41 41.154 26.189 8.622 1.00 44.19 H new ATOM 681 N GLU A 42 39.009 21.461 6.330 1.00 37.01 N ATOM 682 CA GLU A 42 38.328 21.020 5.082 1.00 36.07 C ATOM 683 C GLU A 42 36.999 20.356 5.449 1.00 33.02 C ATOM 684 O GLU A 42 35.961 20.684 4.916 1.00 31.66 O ATOM 685 CB GLU A 42 39.216 20.024 4.334 1.00 40.46 C ATOM 686 CG GLU A 42 40.598 20.640 4.109 1.00 45.44 C ATOM 687 CD GLU A 42 41.492 19.636 3.382 1.00 49.08 C ATOM 688 OE1 GLU A 42 41.000 18.980 2.478 1.00 51.71 O ATOM 689 OE2 GLU A 42 42.654 19.538 3.741 1.00 50.84 O ATOM 0 H GLU A 42 39.981 21.168 6.429 1.00 37.01 H new ATOM 0 HA GLU A 42 38.143 21.881 4.439 1.00 36.07 H new ATOM 0 HB2 GLU A 42 39.307 19.101 4.906 1.00 40.46 H new ATOM 0 HB3 GLU A 42 38.762 19.763 3.378 1.00 40.46 H new ATOM 0 HG2 GLU A 42 40.509 21.555 3.523 1.00 45.44 H new ATOM 0 HG3 GLU A 42 41.045 20.916 5.064 1.00 45.44 H new ATOM 696 N GLU A 43 37.026 19.434 6.368 1.00 29.75 N ATOM 697 CA GLU A 43 35.769 18.750 6.786 1.00 27.99 C ATOM 698 C GLU A 43 34.867 19.750 7.515 1.00 25.26 C ATOM 699 O GLU A 43 33.665 19.757 7.341 1.00 22.77 O ATOM 700 CB GLU A 43 36.119 17.597 7.733 1.00 30.94 C ATOM 701 CG GLU A 43 34.857 16.801 8.090 1.00 33.24 C ATOM 702 CD GLU A 43 35.186 15.793 9.192 1.00 37.98 C ATOM 703 OE1 GLU A 43 36.278 15.869 9.731 1.00 38.40 O ATOM 704 OE2 GLU A 43 34.340 14.963 9.480 1.00 43.17 O ATOM 0 H GLU A 43 37.868 19.122 6.851 1.00 29.75 H new ATOM 0 HA GLU A 43 35.249 18.363 5.910 1.00 27.99 H new ATOM 0 HB2 GLU A 43 36.851 16.940 7.263 1.00 30.94 H new ATOM 0 HB3 GLU A 43 36.579 17.989 8.640 1.00 30.94 H new ATOM 0 HG2 GLU A 43 34.070 17.477 8.424 1.00 33.24 H new ATOM 0 HG3 GLU A 43 34.479 16.282 7.209 1.00 33.24 H new ATOM 711 N ALA A 44 35.437 20.587 8.338 1.00 22.98 N ATOM 712 CA ALA A 44 34.610 21.575 9.084 1.00 23.88 C ATOM 713 C ALA A 44 34.086 22.646 8.118 1.00 22.87 C ATOM 714 O ALA A 44 32.925 23.002 8.142 1.00 22.85 O ATOM 715 CB ALA A 44 35.464 22.206 10.205 1.00 22.28 C ATOM 0 H ALA A 44 36.439 20.629 8.525 1.00 22.98 H new ATOM 0 HA ALA A 44 33.751 21.079 9.537 1.00 23.88 H new ATOM 0 HB1 ALA A 44 34.864 22.931 10.755 1.00 22.28 H new ATOM 0 HB2 ALA A 44 35.805 21.426 10.886 1.00 22.28 H new ATOM 0 HB3 ALA A 44 36.327 22.708 9.767 1.00 22.28 H new ATOM 721 N SER A 45 34.930 23.156 7.272 1.00 25.55 N ATOM 722 CA SER A 45 34.483 24.198 6.307 1.00 26.34 C ATOM 723 C SER A 45 33.273 23.689 5.523 1.00 26.21 C ATOM 724 O SER A 45 32.285 24.379 5.372 1.00 23.95 O ATOM 725 CB SER A 45 35.622 24.506 5.337 1.00 29.82 C ATOM 726 OG SER A 45 35.692 23.483 4.348 1.00 33.07 O ATOM 0 H SER A 45 35.914 22.897 7.205 1.00 25.55 H new ATOM 0 HA SER A 45 34.206 25.102 6.850 1.00 26.34 H new ATOM 0 HB2 SER A 45 35.459 25.474 4.863 1.00 29.82 H new ATOM 0 HB3 SER A 45 36.567 24.570 5.877 1.00 29.82 H new ATOM 0 HG SER A 45 35.926 22.632 4.774 1.00 33.07 H new ATOM 732 N ARG A 46 33.344 22.488 5.017 1.00 26.25 N ATOM 733 CA ARG A 46 32.200 21.941 4.237 1.00 26.19 C ATOM 734 C ARG A 46 30.902 22.144 5.023 1.00 24.78 C ATOM 735 O ARG A 46 29.873 22.463 4.461 1.00 20.51 O ATOM 736 CB ARG A 46 32.428 20.447 3.972 1.00 30.93 C ATOM 737 CG ARG A 46 33.439 20.268 2.830 1.00 37.66 C ATOM 738 CD ARG A 46 33.440 18.806 2.370 1.00 43.41 C ATOM 739 NE ARG A 46 33.147 17.915 3.526 1.00 47.39 N ATOM 740 CZ ARG A 46 32.789 16.677 3.320 1.00 49.82 C ATOM 741 NH1 ARG A 46 32.684 16.222 2.101 1.00 51.10 N ATOM 742 NH2 ARG A 46 32.534 15.894 4.333 1.00 51.02 N ATOM 0 H ARG A 46 34.145 21.863 5.110 1.00 26.25 H new ATOM 0 HA ARG A 46 32.124 22.463 3.283 1.00 26.19 H new ATOM 0 HB2 ARG A 46 32.796 19.960 4.875 1.00 30.93 H new ATOM 0 HB3 ARG A 46 31.485 19.966 3.713 1.00 30.93 H new ATOM 0 HG2 ARG A 46 33.182 20.922 1.997 1.00 37.66 H new ATOM 0 HG3 ARG A 46 34.436 20.555 3.165 1.00 37.66 H new ATOM 0 HD2 ARG A 46 32.694 18.660 1.588 1.00 43.41 H new ATOM 0 HD3 ARG A 46 34.408 18.551 1.939 1.00 43.41 H new ATOM 0 HE ARG A 46 33.226 18.272 4.478 1.00 47.39 H new ATOM 0 HH11 ARG A 46 32.882 16.834 1.309 1.00 51.10 H new ATOM 0 HH12 ARG A 46 32.404 15.254 1.940 1.00 51.10 H new ATOM 0 HH21 ARG A 46 32.615 16.250 5.286 1.00 51.02 H new ATOM 0 HH22 ARG A 46 32.254 14.926 4.172 1.00 51.02 H new ATOM 756 N ARG A 47 30.940 21.979 6.315 1.00 20.40 N ATOM 757 CA ARG A 47 29.701 22.183 7.117 1.00 20.79 C ATOM 758 C ARG A 47 29.325 23.659 7.054 1.00 20.46 C ATOM 759 O ARG A 47 28.271 24.025 6.573 1.00 20.27 O ATOM 760 CB ARG A 47 29.945 21.789 8.576 1.00 18.12 C ATOM 761 CG ARG A 47 30.549 20.385 8.655 1.00 19.83 C ATOM 762 CD ARG A 47 31.030 20.126 10.088 1.00 24.63 C ATOM 763 NE ARG A 47 31.862 18.876 10.135 1.00 25.15 N ATOM 764 CZ ARG A 47 31.397 17.723 9.731 1.00 28.72 C ATOM 765 NH1 ARG A 47 30.136 17.582 9.430 1.00 25.84 N ATOM 766 NH2 ARG A 47 32.192 16.690 9.682 1.00 22.33 N ATOM 0 H ARG A 47 31.768 21.714 6.848 1.00 20.40 H new ATOM 0 HA ARG A 47 28.899 21.564 6.714 1.00 20.79 H new ATOM 0 HB2 ARG A 47 30.616 22.508 9.046 1.00 18.12 H new ATOM 0 HB3 ARG A 47 29.007 21.820 9.130 1.00 18.12 H new ATOM 0 HG2 ARG A 47 29.808 19.640 8.367 1.00 19.83 H new ATOM 0 HG3 ARG A 47 31.381 20.294 7.957 1.00 19.83 H new ATOM 0 HD2 ARG A 47 31.615 20.975 10.443 1.00 24.63 H new ATOM 0 HD3 ARG A 47 30.174 20.028 10.755 1.00 24.63 H new ATOM 0 HE ARG A 47 32.816 18.928 10.492 1.00 25.15 H new ATOM 0 HH11 ARG A 47 29.501 18.376 9.509 1.00 25.84 H new ATOM 0 HH12 ARG A 47 29.785 16.677 9.116 1.00 25.84 H new ATOM 0 HH21 ARG A 47 33.169 16.785 9.958 1.00 22.33 H new ATOM 0 HH22 ARG A 47 31.836 15.787 9.368 1.00 22.33 H new ATOM 780 N ILE A 48 30.197 24.511 7.517 1.00 19.14 N ATOM 781 CA ILE A 48 29.920 25.975 7.466 1.00 21.78 C ATOM 782 C ILE A 48 29.438 26.317 6.067 1.00 25.27 C ATOM 783 O ILE A 48 28.353 26.824 5.870 1.00 23.94 O ATOM 784 CB ILE A 48 31.209 26.734 7.759 1.00 20.97 C ATOM 785 CG1 ILE A 48 31.807 26.181 9.054 1.00 21.08 C ATOM 786 CG2 ILE A 48 30.893 28.223 7.911 1.00 21.08 C ATOM 787 CD1 ILE A 48 32.993 27.041 9.507 1.00 19.82 C ATOM 0 H ILE A 48 31.094 24.256 7.930 1.00 19.14 H new ATOM 0 HA ILE A 48 29.164 26.249 8.202 1.00 21.78 H new ATOM 0 HB ILE A 48 31.923 26.611 6.945 1.00 20.97 H new ATOM 0 HG12 ILE A 48 31.046 26.161 9.834 1.00 21.08 H new ATOM 0 HG13 ILE A 48 32.133 25.152 8.901 1.00 21.08 H new ATOM 0 HG21 ILE A 48 31.812 28.770 8.121 1.00 21.08 H new ATOM 0 HG22 ILE A 48 30.450 28.597 6.988 1.00 21.08 H new ATOM 0 HG23 ILE A 48 30.191 28.364 8.733 1.00 21.08 H new ATOM 0 HD11 ILE A 48 33.406 26.634 10.430 1.00 19.82 H new ATOM 0 HD12 ILE A 48 33.761 27.039 8.733 1.00 19.82 H new ATOM 0 HD13 ILE A 48 32.656 28.063 9.681 1.00 19.82 H new ATOM 799 N GLU A 49 30.240 26.009 5.095 1.00 26.87 N ATOM 800 CA GLU A 49 29.860 26.275 3.683 1.00 31.21 C ATOM 801 C GLU A 49 28.425 25.834 3.450 1.00 31.88 C ATOM 802 O GLU A 49 27.558 26.624 3.136 1.00 31.73 O ATOM 803 CB GLU A 49 30.741 25.426 2.787 1.00 32.85 C ATOM 804 CG GLU A 49 32.139 26.041 2.669 1.00 36.76 C ATOM 805 CD GLU A 49 32.883 25.393 1.499 1.00 40.40 C ATOM 806 OE1 GLU A 49 32.381 25.468 0.389 1.00 43.41 O ATOM 807 OE2 GLU A 49 33.941 24.832 1.732 1.00 40.28 O ATOM 0 H GLU A 49 31.156 25.578 5.218 1.00 26.87 H new ATOM 0 HA GLU A 49 29.972 27.338 3.470 1.00 31.21 H new ATOM 0 HB2 GLU A 49 30.815 24.416 3.191 1.00 32.85 H new ATOM 0 HB3 GLU A 49 30.290 25.342 1.798 1.00 32.85 H new ATOM 0 HG2 GLU A 49 32.063 27.117 2.514 1.00 36.76 H new ATOM 0 HG3 GLU A 49 32.694 25.890 3.595 1.00 36.76 H new ATOM 814 N GLU A 50 28.169 24.563 3.623 1.00 32.05 N ATOM 815 CA GLU A 50 26.789 24.061 3.435 1.00 30.33 C ATOM 816 C GLU A 50 25.900 24.951 4.274 1.00 29.99 C ATOM 817 O GLU A 50 24.872 25.388 3.852 1.00 26.76 O ATOM 818 CB GLU A 50 26.713 22.597 3.913 1.00 33.38 C ATOM 819 CG GLU A 50 25.600 21.848 3.170 1.00 33.45 C ATOM 820 CD GLU A 50 25.635 20.369 3.557 1.00 36.89 C ATOM 821 OE1 GLU A 50 25.173 20.049 4.639 1.00 36.13 O ATOM 822 OE2 GLU A 50 26.123 19.580 2.764 1.00 35.55 O ATOM 0 H GLU A 50 28.858 23.858 3.885 1.00 32.05 H new ATOM 0 HA GLU A 50 26.478 24.084 2.390 1.00 30.33 H new ATOM 0 HB2 GLU A 50 27.669 22.102 3.743 1.00 33.38 H new ATOM 0 HB3 GLU A 50 26.526 22.568 4.986 1.00 33.38 H new ATOM 0 HG2 GLU A 50 24.629 22.277 3.419 1.00 33.45 H new ATOM 0 HG3 GLU A 50 25.730 21.956 2.093 1.00 33.45 H new ATOM 829 N GLY A 51 26.354 25.253 5.445 1.00 0.00 N ATOM 830 CA GLY A 51 25.598 26.144 6.360 1.00 0.00 C ATOM 831 C GLY A 51 25.335 27.500 5.687 1.00 0.00 C ATOM 832 O GLY A 51 24.213 27.926 5.509 1.00 0.00 O ATOM 0 H GLY A 51 27.240 24.913 5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 51 24.652 25.677 6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 51 26.160 26.291 7.282 1.00 0.00 H new ATOM 836 N GLN A 52 26.378 28.195 5.321 1.00 29.60 N ATOM 837 CA GLN A 52 26.198 29.526 4.666 1.00 32.81 C ATOM 838 C GLN A 52 25.207 29.363 3.527 1.00 33.63 C ATOM 839 O GLN A 52 24.238 30.083 3.405 1.00 32.37 O ATOM 840 CB GLN A 52 27.531 30.008 4.081 1.00 32.81 C ATOM 841 CG GLN A 52 28.646 29.940 5.142 1.00 34.44 C ATOM 842 CD GLN A 52 28.741 31.261 5.909 1.00 35.84 C ATOM 843 OE1 GLN A 52 29.904 31.651 6.353 1.00 36.29 O flip ATOM 844 NE2 GLN A 52 27.754 31.941 6.104 1.00 38.34 N flip ATOM 0 H GLN A 52 27.346 27.901 5.446 1.00 29.60 H new ATOM 0 HA GLN A 52 25.841 30.249 5.399 1.00 32.81 H new ATOM 0 HB2 GLN A 52 27.801 29.393 3.222 1.00 32.81 H new ATOM 0 HB3 GLN A 52 27.427 31.031 3.720 1.00 32.81 H new ATOM 0 HG2 GLN A 52 28.446 29.124 5.836 1.00 34.44 H new ATOM 0 HG3 GLN A 52 29.600 29.723 4.661 1.00 34.44 H new ATOM 0 HE21 GLN A 52 26.846 31.634 5.756 1.00 38.34 H new ATOM 0 HE22 GLN A 52 27.833 32.820 6.616 1.00 38.34 H new ATOM 853 N TYR A 53 25.454 28.394 2.704 1.00 34.79 N ATOM 854 CA TYR A 53 24.549 28.126 1.564 1.00 37.88 C ATOM 855 C TYR A 53 23.203 27.680 2.125 1.00 39.97 C ATOM 856 O TYR A 53 22.158 28.125 1.709 1.00 39.08 O ATOM 857 CB TYR A 53 25.162 27.005 0.710 1.00 39.97 C ATOM 858 CG TYR A 53 24.085 26.304 -0.082 1.00 42.20 C ATOM 859 CD1 TYR A 53 23.330 25.299 0.520 1.00 42.61 C ATOM 860 CD2 TYR A 53 23.843 26.666 -1.401 1.00 42.58 C ATOM 861 CE1 TYR A 53 22.328 24.650 -0.199 1.00 45.45 C ATOM 862 CE2 TYR A 53 22.839 26.021 -2.133 1.00 44.68 C ATOM 863 CZ TYR A 53 22.079 25.009 -1.530 1.00 45.19 C ATOM 864 OH TYR A 53 21.088 24.369 -2.246 1.00 49.10 O ATOM 0 H TYR A 53 26.256 27.767 2.773 1.00 34.79 H new ATOM 0 HA TYR A 53 24.414 29.015 0.948 1.00 37.88 H new ATOM 0 HB2 TYR A 53 25.909 27.420 0.033 1.00 39.97 H new ATOM 0 HB3 TYR A 53 25.676 26.289 1.351 1.00 39.97 H new ATOM 0 HD1 TYR A 53 23.522 25.022 1.546 1.00 42.61 H new ATOM 0 HD2 TYR A 53 24.430 27.446 -1.862 1.00 42.58 H new ATOM 0 HE1 TYR A 53 21.744 23.871 0.269 1.00 45.45 H new ATOM 0 HE2 TYR A 53 22.651 26.302 -3.159 1.00 44.68 H new ATOM 0 HH TYR A 53 21.047 24.740 -3.152 1.00 49.10 H new ATOM 874 N VAL A 54 23.243 26.795 3.068 1.00 39.04 N ATOM 875 CA VAL A 54 21.996 26.284 3.684 1.00 40.51 C ATOM 876 C VAL A 54 21.151 27.485 4.125 1.00 40.89 C ATOM 877 O VAL A 54 20.062 27.714 3.637 1.00 40.52 O ATOM 878 CB VAL A 54 22.420 25.441 4.890 1.00 40.89 C ATOM 879 CG1 VAL A 54 21.326 25.364 5.926 1.00 41.12 C ATOM 880 CG2 VAL A 54 22.852 24.009 4.470 1.00 40.75 C ATOM 0 H VAL A 54 24.102 26.395 3.446 1.00 39.04 H new ATOM 0 HA VAL A 54 21.404 25.681 2.996 1.00 40.51 H new ATOM 0 HB VAL A 54 23.281 25.943 5.331 1.00 40.89 H new ATOM 0 HG11 VAL A 54 21.663 24.758 6.767 1.00 41.12 H new ATOM 0 HG12 VAL A 54 21.085 26.368 6.276 1.00 41.12 H new ATOM 0 HG13 VAL A 54 20.438 24.911 5.485 1.00 41.12 H new ATOM 0 HG21 VAL A 54 23.145 23.443 5.354 1.00 40.75 H new ATOM 0 HG22 VAL A 54 22.019 23.507 3.978 1.00 40.75 H new ATOM 0 HG23 VAL A 54 23.696 24.070 3.782 1.00 40.75 H new ATOM 890 N VAL A 55 21.665 28.252 5.044 1.00 40.66 N ATOM 891 CA VAL A 55 20.926 29.447 5.532 1.00 41.79 C ATOM 892 C VAL A 55 20.580 30.335 4.338 1.00 43.19 C ATOM 893 O VAL A 55 19.431 30.644 4.094 1.00 42.93 O ATOM 894 CB VAL A 55 21.820 30.208 6.521 1.00 40.93 C ATOM 895 CG1 VAL A 55 21.074 31.417 7.094 1.00 40.61 C ATOM 896 CG2 VAL A 55 22.209 29.268 7.663 1.00 41.17 C ATOM 0 H VAL A 55 22.574 28.100 5.482 1.00 40.66 H new ATOM 0 HA VAL A 55 20.005 29.152 6.035 1.00 41.79 H new ATOM 0 HB VAL A 55 22.711 30.559 6.000 1.00 40.93 H new ATOM 0 HG11 VAL A 55 21.721 31.946 7.793 1.00 40.61 H new ATOM 0 HG12 VAL A 55 20.791 32.088 6.283 1.00 40.61 H new ATOM 0 HG13 VAL A 55 20.178 31.079 7.614 1.00 40.61 H new ATOM 0 HG21 VAL A 55 22.845 29.800 8.371 1.00 41.17 H new ATOM 0 HG22 VAL A 55 21.309 28.922 8.172 1.00 41.17 H new ATOM 0 HG23 VAL A 55 22.751 28.412 7.261 1.00 41.17 H new ATOM 906 N ASN A 56 21.563 30.740 3.584 1.00 43.65 N ATOM 907 CA ASN A 56 21.280 31.597 2.401 1.00 46.57 C ATOM 908 C ASN A 56 20.206 30.918 1.550 1.00 47.19 C ATOM 909 O ASN A 56 19.215 31.519 1.187 1.00 46.87 O ATOM 910 CB ASN A 56 22.560 31.770 1.579 1.00 46.25 C ATOM 911 CG ASN A 56 23.631 32.440 2.440 1.00 46.74 C ATOM 912 OD1 ASN A 56 23.369 32.706 3.688 1.00 46.94 O flip ATOM 913 ND2 ASN A 56 24.716 32.723 1.972 1.00 47.06 N flip ATOM 0 H ASN A 56 22.546 30.515 3.735 1.00 43.65 H new ATOM 0 HA ASN A 56 20.930 32.578 2.724 1.00 46.57 H new ATOM 0 HB2 ASN A 56 22.914 30.800 1.229 1.00 46.25 H new ATOM 0 HB3 ASN A 56 22.358 32.374 0.695 1.00 46.25 H new ATOM 0 HD21 ASN A 56 24.920 32.514 0.995 1.00 47.06 H new ATOM 0 HD22 ASN A 56 25.423 33.169 2.556 1.00 47.06 H new ATOM 920 N GLU A 57 20.392 29.663 1.242 1.00 49.43 N ATOM 921 CA GLU A 57 19.383 28.932 0.426 1.00 51.03 C ATOM 922 C GLU A 57 18.013 29.055 1.089 1.00 51.99 C ATOM 923 O GLU A 57 17.044 29.438 0.463 1.00 52.02 O ATOM 924 CB GLU A 57 19.773 27.452 0.336 1.00 52.77 C ATOM 925 CG GLU A 57 18.833 26.719 -0.631 1.00 54.20 C ATOM 926 CD GLU A 57 17.495 26.433 0.056 1.00 56.33 C ATOM 927 OE1 GLU A 57 17.505 26.172 1.247 1.00 57.66 O ATOM 928 OE2 GLU A 57 16.483 26.480 -0.623 1.00 57.76 O ATOM 0 H GLU A 57 21.203 29.111 1.522 1.00 49.43 H new ATOM 0 HA GLU A 57 19.345 29.360 -0.576 1.00 51.03 H new ATOM 0 HB2 GLU A 57 20.804 27.359 -0.006 1.00 52.77 H new ATOM 0 HB3 GLU A 57 19.722 26.993 1.323 1.00 52.77 H new ATOM 0 HG2 GLU A 57 18.671 27.324 -1.523 1.00 54.20 H new ATOM 0 HG3 GLU A 57 19.290 25.785 -0.958 1.00 54.20 H new ATOM 935 N TYR A 58 17.918 28.735 2.353 1.00 53.12 N ATOM 936 CA TYR A 58 16.602 28.840 3.040 1.00 54.13 C ATOM 937 C TYR A 58 16.021 30.223 2.784 1.00 54.38 C ATOM 938 O TYR A 58 14.825 30.411 2.703 1.00 55.12 O ATOM 939 CB TYR A 58 16.775 28.630 4.545 1.00 54.54 C ATOM 940 CG TYR A 58 15.418 28.519 5.183 1.00 55.20 C ATOM 941 CD1 TYR A 58 14.793 27.274 5.251 1.00 55.36 C ATOM 942 CD2 TYR A 58 14.783 29.654 5.701 1.00 55.64 C ATOM 943 CE1 TYR A 58 13.533 27.156 5.837 1.00 55.93 C ATOM 944 CE2 TYR A 58 13.518 29.538 6.290 1.00 56.15 C ATOM 945 CZ TYR A 58 12.892 28.287 6.358 1.00 56.20 C ATOM 946 OH TYR A 58 11.645 28.170 6.937 1.00 58.01 O ATOM 0 H TYR A 58 18.690 28.408 2.934 1.00 53.12 H new ATOM 0 HA TYR A 58 15.930 28.074 2.653 1.00 54.13 H new ATOM 0 HB2 TYR A 58 17.355 27.727 4.735 1.00 54.54 H new ATOM 0 HB3 TYR A 58 17.329 29.462 4.980 1.00 54.54 H new ATOM 0 HD1 TYR A 58 15.285 26.401 4.849 1.00 55.36 H new ATOM 0 HD2 TYR A 58 15.268 30.617 5.646 1.00 55.64 H new ATOM 0 HE1 TYR A 58 13.051 26.191 5.889 1.00 55.93 H new ATOM 0 HE2 TYR A 58 13.026 30.412 6.691 1.00 56.15 H new ATOM 0 HH TYR A 58 11.682 27.514 7.664 1.00 58.01 H new ATOM 1151 N ASP B 7 13.052 22.787 9.140 1.00 55.77 N ATOM 1152 CA ASP B 7 12.534 23.985 9.871 1.00 53.95 C ATOM 1153 C ASP B 7 12.926 23.900 11.348 1.00 52.49 C ATOM 1154 O ASP B 7 13.576 24.780 11.875 1.00 51.89 O ATOM 1155 CB ASP B 7 11.010 24.037 9.749 1.00 54.63 C ATOM 1156 CG ASP B 7 10.512 25.438 10.113 1.00 55.27 C ATOM 1157 OD1 ASP B 7 10.613 26.318 9.274 1.00 56.33 O ATOM 1158 OD2 ASP B 7 10.038 25.606 11.224 1.00 55.55 O ATOM 0 HA ASP B 7 12.966 24.886 9.436 1.00 53.95 H new ATOM 0 HB2 ASP B 7 10.708 23.786 8.732 1.00 54.63 H new ATOM 0 HB3 ASP B 7 10.557 23.297 10.408 1.00 54.63 H new ATOM 1163 N VAL B 8 12.559 22.836 12.015 1.00 50.38 N ATOM 1164 CA VAL B 8 12.942 22.689 13.457 1.00 48.45 C ATOM 1165 C VAL B 8 14.435 22.984 13.566 1.00 46.36 C ATOM 1166 O VAL B 8 14.896 23.686 14.442 1.00 44.84 O ATOM 1167 CB VAL B 8 12.683 21.237 13.942 1.00 48.63 C ATOM 1168 CG1 VAL B 8 11.375 21.169 14.725 1.00 48.83 C ATOM 1169 CG2 VAL B 8 12.607 20.298 12.739 1.00 47.55 C ATOM 0 H VAL B 8 12.014 22.065 11.629 1.00 50.38 H new ATOM 0 HA VAL B 8 12.353 23.371 14.070 1.00 48.45 H new ATOM 0 HB VAL B 8 13.503 20.931 14.592 1.00 48.63 H new ATOM 0 HG11 VAL B 8 11.204 20.146 15.060 1.00 48.83 H new ATOM 0 HG12 VAL B 8 11.434 21.829 15.590 1.00 48.83 H new ATOM 0 HG13 VAL B 8 10.551 21.484 14.085 1.00 48.83 H new ATOM 0 HG21 VAL B 8 12.425 19.280 13.083 1.00 47.55 H new ATOM 0 HG22 VAL B 8 11.793 20.611 12.084 1.00 47.55 H new ATOM 0 HG23 VAL B 8 13.548 20.333 12.190 1.00 47.55 H new ATOM 1179 N PHE B 9 15.185 22.430 12.668 1.00 44.57 N ATOM 1180 CA PHE B 9 16.646 22.648 12.685 1.00 42.68 C ATOM 1181 C PHE B 9 16.923 24.149 12.708 1.00 41.92 C ATOM 1182 O PHE B 9 17.518 24.667 13.632 1.00 40.56 O ATOM 1183 CB PHE B 9 17.271 22.014 11.430 1.00 41.99 C ATOM 1184 CG PHE B 9 18.715 21.710 11.706 1.00 41.32 C ATOM 1185 CD1 PHE B 9 19.660 22.732 11.623 1.00 41.38 C ATOM 1186 CD2 PHE B 9 19.105 20.415 12.056 1.00 41.88 C ATOM 1187 CE1 PHE B 9 20.998 22.462 11.888 1.00 39.40 C ATOM 1188 CE2 PHE B 9 20.445 20.147 12.322 1.00 39.39 C ATOM 1189 CZ PHE B 9 21.389 21.175 12.237 1.00 40.84 C ATOM 0 H PHE B 9 14.845 21.830 11.916 1.00 44.57 H new ATOM 0 HA PHE B 9 17.083 22.186 13.570 1.00 42.68 H new ATOM 0 HB2 PHE B 9 16.738 21.101 11.164 1.00 41.99 H new ATOM 0 HB3 PHE B 9 17.184 22.693 10.582 1.00 41.99 H new ATOM 0 HD1 PHE B 9 19.353 23.732 11.353 1.00 41.38 H new ATOM 0 HD2 PHE B 9 18.371 19.626 12.120 1.00 41.88 H new ATOM 0 HE1 PHE B 9 21.732 23.251 11.823 1.00 39.40 H new ATOM 0 HE2 PHE B 9 20.754 19.148 12.593 1.00 39.39 H new ATOM 0 HZ PHE B 9 22.428 20.967 12.444 1.00 40.84 H new ATOM 1199 N LEU B 10 16.487 24.853 11.704 1.00 41.09 N ATOM 1200 CA LEU B 10 16.718 26.321 11.683 1.00 41.50 C ATOM 1201 C LEU B 10 16.073 26.931 12.921 1.00 41.09 C ATOM 1202 O LEU B 10 16.594 27.853 13.516 1.00 38.55 O ATOM 1203 CB LEU B 10 16.101 26.928 10.424 1.00 42.71 C ATOM 1204 CG LEU B 10 16.530 26.120 9.197 1.00 43.61 C ATOM 1205 CD1 LEU B 10 16.077 26.848 7.940 1.00 44.50 C ATOM 1206 CD2 LEU B 10 18.056 25.977 9.167 1.00 43.61 C ATOM 0 H LEU B 10 15.983 24.478 10.901 1.00 41.09 H new ATOM 0 HA LEU B 10 17.788 26.528 11.680 1.00 41.50 H new ATOM 0 HB2 LEU B 10 15.014 26.933 10.506 1.00 42.71 H new ATOM 0 HB3 LEU B 10 16.417 27.966 10.317 1.00 42.71 H new ATOM 0 HG LEU B 10 16.077 25.130 9.245 1.00 43.61 H new ATOM 0 HD11 LEU B 10 16.379 26.279 7.061 1.00 44.50 H new ATOM 0 HD12 LEU B 10 14.992 26.951 7.950 1.00 44.50 H new ATOM 0 HD13 LEU B 10 16.535 27.836 7.907 1.00 44.50 H new ATOM 0 HD21 LEU B 10 18.350 25.400 8.290 1.00 43.61 H new ATOM 0 HD22 LEU B 10 18.513 26.965 9.122 1.00 43.61 H new ATOM 0 HD23 LEU B 10 18.391 25.463 10.068 1.00 43.61 H new ATOM 1218 N ASP B 11 14.947 26.416 13.331 1.00 41.28 N ATOM 1219 CA ASP B 11 14.298 26.967 14.546 1.00 41.44 C ATOM 1220 C ASP B 11 15.293 26.874 15.698 1.00 39.86 C ATOM 1221 O ASP B 11 15.649 27.869 16.295 1.00 37.26 O ATOM 1222 CB ASP B 11 13.036 26.171 14.884 1.00 44.23 C ATOM 1223 CG ASP B 11 12.142 26.079 13.646 1.00 46.87 C ATOM 1224 OD1 ASP B 11 12.463 26.719 12.658 1.00 48.41 O ATOM 1225 OD2 ASP B 11 11.150 25.371 13.707 1.00 49.31 O ATOM 0 H ASP B 11 14.455 25.645 12.880 1.00 41.28 H new ATOM 0 HA ASP B 11 14.010 28.004 14.375 1.00 41.44 H new ATOM 0 HB2 ASP B 11 13.305 25.172 15.226 1.00 44.23 H new ATOM 0 HB3 ASP B 11 12.497 26.653 15.700 1.00 44.23 H new ATOM 1230 N TYR B 12 15.771 25.688 16.006 1.00 39.23 N ATOM 1231 CA TYR B 12 16.764 25.561 17.116 1.00 38.08 C ATOM 1232 C TYR B 12 17.841 26.614 16.928 1.00 34.01 C ATOM 1233 O TYR B 12 18.178 27.340 17.841 1.00 32.49 O ATOM 1234 CB TYR B 12 17.442 24.190 17.105 1.00 42.28 C ATOM 1235 CG TYR B 12 16.445 23.049 17.207 1.00 47.31 C ATOM 1236 CD1 TYR B 12 15.308 23.126 18.035 1.00 49.49 C ATOM 1237 CD2 TYR B 12 16.684 21.888 16.470 1.00 48.65 C ATOM 1238 CE1 TYR B 12 14.428 22.042 18.113 1.00 50.83 C ATOM 1239 CE2 TYR B 12 15.809 20.812 16.547 1.00 51.34 C ATOM 1240 CZ TYR B 12 14.678 20.882 17.369 1.00 50.67 C ATOM 1241 OH TYR B 12 13.810 19.812 17.445 1.00 52.32 O ATOM 0 H TYR B 12 15.519 24.816 15.542 1.00 39.23 H new ATOM 0 HA TYR B 12 16.236 25.688 18.061 1.00 38.08 H new ATOM 0 HB2 TYR B 12 18.021 24.082 16.188 1.00 42.28 H new ATOM 0 HB3 TYR B 12 18.146 24.129 17.935 1.00 42.28 H new ATOM 0 HD1 TYR B 12 15.116 24.021 18.609 1.00 49.49 H new ATOM 0 HD2 TYR B 12 17.556 21.826 15.835 1.00 48.65 H new ATOM 0 HE1 TYR B 12 13.556 22.099 18.747 1.00 50.83 H new ATOM 0 HE2 TYR B 12 16.002 19.919 15.971 1.00 51.34 H new ATOM 0 HH TYR B 12 14.130 19.089 16.866 1.00 52.32 H new ATOM 1251 N CYS B 13 18.375 26.716 15.743 1.00 32.32 N ATOM 1252 CA CYS B 13 19.415 27.740 15.498 1.00 29.00 C ATOM 1253 C CYS B 13 18.893 29.071 16.023 1.00 29.81 C ATOM 1254 O CYS B 13 19.450 29.644 16.927 1.00 24.62 O ATOM 1255 CB CYS B 13 19.699 27.840 14.000 1.00 28.41 C ATOM 1256 SG CYS B 13 19.889 26.177 13.313 1.00 23.95 S ATOM 0 H CYS B 13 18.134 26.135 14.940 1.00 32.32 H new ATOM 0 HA CYS B 13 20.342 27.473 16.005 1.00 29.00 H new ATOM 0 HB2 CYS B 13 18.884 28.362 13.498 1.00 28.41 H new ATOM 0 HB3 CYS B 13 20.604 28.422 13.828 1.00 28.41 H new ATOM 0 HG CYS B 13 18.744 25.562 13.343 1.00 23.95 H new ATOM 1262 N GLN B 14 17.805 29.547 15.481 1.00 29.76 N ATOM 1263 CA GLN B 14 17.233 30.834 15.964 1.00 32.34 C ATOM 1264 C GLN B 14 17.194 30.834 17.501 1.00 33.14 C ATOM 1265 O GLN B 14 17.487 31.826 18.132 1.00 33.29 O ATOM 1266 CB GLN B 14 15.818 31.017 15.386 1.00 34.56 C ATOM 1267 CG GLN B 14 15.477 32.511 15.265 1.00 39.08 C ATOM 1268 CD GLN B 14 15.235 33.096 16.654 1.00 41.02 C ATOM 1269 OE1 GLN B 14 14.589 32.392 17.535 1.00 42.67 O flip ATOM 1270 NE2 GLN B 14 15.637 34.207 16.938 1.00 42.20 N flip ATOM 0 H GLN B 14 17.288 29.099 14.724 1.00 29.76 H new ATOM 0 HA GLN B 14 17.856 31.663 15.630 1.00 32.34 H new ATOM 0 HB2 GLN B 14 15.754 30.543 14.407 1.00 34.56 H new ATOM 0 HB3 GLN B 14 15.089 30.522 16.028 1.00 34.56 H new ATOM 0 HG2 GLN B 14 16.292 33.042 14.773 1.00 39.08 H new ATOM 0 HG3 GLN B 14 14.591 32.643 14.645 1.00 39.08 H new ATOM 0 HE21 GLN B 14 16.144 34.758 16.246 1.00 42.20 H new ATOM 0 HE22 GLN B 14 15.468 34.588 17.869 1.00 42.20 H new ATOM 1279 N LYS B 15 16.864 29.727 18.118 1.00 31.48 N ATOM 1280 CA LYS B 15 16.860 29.703 19.611 1.00 31.70 C ATOM 1281 C LYS B 15 18.321 29.778 20.063 1.00 30.74 C ATOM 1282 O LYS B 15 18.729 30.690 20.749 1.00 30.57 O ATOM 1283 CB LYS B 15 16.228 28.391 20.125 1.00 35.91 C ATOM 1284 CG LYS B 15 14.715 28.550 20.329 1.00 40.53 C ATOM 1285 CD LYS B 15 14.006 28.693 18.975 1.00 42.80 C ATOM 1286 CE LYS B 15 12.516 28.355 19.124 1.00 45.27 C ATOM 1287 NZ LYS B 15 11.751 29.005 18.022 1.00 48.21 N ATOM 0 H LYS B 15 16.602 28.853 17.661 1.00 31.48 H new ATOM 0 HA LYS B 15 16.278 30.536 20.006 1.00 31.70 H new ATOM 0 HB2 LYS B 15 16.420 27.588 19.413 1.00 35.91 H new ATOM 0 HB3 LYS B 15 16.697 28.102 21.066 1.00 35.91 H new ATOM 0 HG2 LYS B 15 14.321 27.686 20.864 1.00 40.53 H new ATOM 0 HG3 LYS B 15 14.515 29.426 20.946 1.00 40.53 H new ATOM 0 HD2 LYS B 15 14.121 29.710 18.601 1.00 42.80 H new ATOM 0 HD3 LYS B 15 14.466 28.030 18.242 1.00 42.80 H new ATOM 0 HE2 LYS B 15 12.372 27.275 19.095 1.00 45.27 H new ATOM 0 HE3 LYS B 15 12.148 28.700 20.090 1.00 45.27 H new ATOM 0 HZ1 LYS B 15 10.741 28.778 18.120 1.00 48.21 H new ATOM 0 HZ2 LYS B 15 11.881 30.036 18.070 1.00 48.21 H new ATOM 0 HZ3 LYS B 15 12.097 28.655 17.106 1.00 48.21 H new ATOM 1301 N LEU B 16 19.124 28.834 19.653 1.00 26.59 N ATOM 1302 CA LEU B 16 20.564 28.867 20.034 1.00 27.03 C ATOM 1303 C LEU B 16 21.096 30.261 19.713 1.00 24.17 C ATOM 1304 O LEU B 16 21.891 30.834 20.431 1.00 23.26 O ATOM 1305 CB LEU B 16 21.311 27.800 19.215 1.00 28.15 C ATOM 1306 CG LEU B 16 22.596 27.354 19.932 1.00 28.00 C ATOM 1307 CD1 LEU B 16 22.262 26.694 21.284 1.00 30.50 C ATOM 1308 CD2 LEU B 16 23.335 26.350 19.035 1.00 26.29 C ATOM 0 H LEU B 16 18.846 28.043 19.072 1.00 26.59 H new ATOM 0 HA LEU B 16 20.705 28.657 21.094 1.00 27.03 H new ATOM 0 HB2 LEU B 16 20.662 26.939 19.055 1.00 28.15 H new ATOM 0 HB3 LEU B 16 21.559 28.199 18.231 1.00 28.15 H new ATOM 0 HG LEU B 16 23.224 28.224 20.122 1.00 28.00 H new ATOM 0 HD11 LEU B 16 23.184 26.385 21.776 1.00 30.50 H new ATOM 0 HD12 LEU B 16 21.735 27.408 21.917 1.00 30.50 H new ATOM 0 HD13 LEU B 16 21.630 25.821 21.117 1.00 30.50 H new ATOM 0 HD21 LEU B 16 24.250 26.024 19.530 1.00 26.29 H new ATOM 0 HD22 LEU B 16 22.695 25.487 18.850 1.00 26.29 H new ATOM 0 HD23 LEU B 16 23.586 26.825 18.087 1.00 26.29 H new ATOM 1320 N LEU B 17 20.612 30.808 18.641 1.00 23.83 N ATOM 1321 CA LEU B 17 21.008 32.178 18.229 1.00 25.91 C ATOM 1322 C LEU B 17 20.503 33.153 19.298 1.00 28.74 C ATOM 1323 O LEU B 17 21.146 34.130 19.627 1.00 29.35 O ATOM 1324 CB LEU B 17 20.330 32.486 16.884 1.00 23.53 C ATOM 1325 CG LEU B 17 21.049 33.639 16.144 1.00 23.31 C ATOM 1326 CD1 LEU B 17 22.199 33.094 15.258 1.00 16.92 C ATOM 1327 CD2 LEU B 17 20.043 34.395 15.252 1.00 19.75 C ATOM 0 H LEU B 17 19.944 30.354 18.018 1.00 23.83 H new ATOM 0 HA LEU B 17 22.089 32.268 18.124 1.00 25.91 H new ATOM 0 HB2 LEU B 17 20.333 31.593 16.260 1.00 23.53 H new ATOM 0 HB3 LEU B 17 19.287 32.754 17.053 1.00 23.53 H new ATOM 0 HG LEU B 17 21.467 34.314 16.891 1.00 23.31 H new ATOM 0 HD11 LEU B 17 22.689 33.923 14.748 1.00 16.92 H new ATOM 0 HD12 LEU B 17 22.924 32.573 15.883 1.00 16.92 H new ATOM 0 HD13 LEU B 17 21.793 32.403 14.519 1.00 16.92 H new ATOM 0 HD21 LEU B 17 20.554 35.206 14.733 1.00 19.75 H new ATOM 0 HD22 LEU B 17 19.617 33.708 14.521 1.00 19.75 H new ATOM 0 HD23 LEU B 17 19.245 34.806 15.871 1.00 19.75 H new ATOM 1339 N GLU B 18 19.340 32.880 19.839 1.00 30.66 N ATOM 1340 CA GLU B 18 18.761 33.769 20.887 1.00 33.61 C ATOM 1341 C GLU B 18 19.393 33.422 22.244 1.00 34.68 C ATOM 1342 O GLU B 18 19.757 34.292 23.009 1.00 34.80 O ATOM 1343 CB GLU B 18 17.213 33.590 20.902 1.00 35.91 C ATOM 1344 CG GLU B 18 16.727 32.730 22.084 1.00 37.64 C ATOM 1345 CD GLU B 18 15.218 32.510 21.964 1.00 40.24 C ATOM 1346 OE1 GLU B 18 14.662 32.898 20.950 1.00 40.89 O ATOM 1347 OE2 GLU B 18 14.645 31.957 22.888 1.00 40.39 O ATOM 0 H GLU B 18 18.766 32.073 19.596 1.00 30.66 H new ATOM 0 HA GLU B 18 18.978 34.816 20.675 1.00 33.61 H new ATOM 0 HB2 GLU B 18 16.738 34.570 20.951 1.00 35.91 H new ATOM 0 HB3 GLU B 18 16.895 33.128 19.967 1.00 35.91 H new ATOM 0 HG2 GLU B 18 17.246 31.772 22.089 1.00 37.64 H new ATOM 0 HG3 GLU B 18 16.960 33.224 23.027 1.00 37.64 H new ATOM 1354 N LYS B 19 19.529 32.159 22.543 1.00 34.95 N ATOM 1355 CA LYS B 19 20.139 31.766 23.842 1.00 36.04 C ATOM 1356 C LYS B 19 21.462 32.511 24.024 1.00 35.87 C ATOM 1357 O LYS B 19 21.730 33.082 25.063 1.00 36.90 O ATOM 1358 CB LYS B 19 20.377 30.260 23.859 1.00 36.58 C ATOM 1359 CG LYS B 19 20.393 29.778 25.313 1.00 39.52 C ATOM 1360 CD LYS B 19 20.985 28.390 25.359 1.00 41.12 C ATOM 1361 CE LYS B 19 20.816 27.798 26.760 1.00 43.76 C ATOM 1362 NZ LYS B 19 20.953 28.879 27.776 1.00 45.38 N ATOM 0 H LYS B 19 19.244 31.384 21.944 1.00 34.95 H new ATOM 0 HA LYS B 19 19.466 32.026 24.659 1.00 36.04 H new ATOM 0 HB2 LYS B 19 19.593 29.748 23.300 1.00 36.58 H new ATOM 0 HB3 LYS B 19 21.323 30.022 23.372 1.00 36.58 H new ATOM 0 HG2 LYS B 19 20.979 30.459 25.930 1.00 39.52 H new ATOM 0 HG3 LYS B 19 19.382 29.771 25.719 1.00 39.52 H new ATOM 0 HD2 LYS B 19 20.495 27.752 24.624 1.00 41.12 H new ATOM 0 HD3 LYS B 19 22.042 28.427 25.095 1.00 41.12 H new ATOM 0 HE2 LYS B 19 19.840 27.322 26.850 1.00 43.76 H new ATOM 0 HE3 LYS B 19 21.565 27.025 26.933 1.00 43.76 H new ATOM 0 HZ1 LYS B 19 21.093 28.456 28.716 1.00 45.38 H new ATOM 0 HZ2 LYS B 19 21.771 29.476 27.539 1.00 45.38 H new ATOM 0 HZ3 LYS B 19 20.091 29.460 27.783 1.00 45.38 H new ATOM 1376 N PHE B 20 22.289 32.509 23.014 1.00 35.16 N ATOM 1377 CA PHE B 20 23.597 33.211 23.101 1.00 34.19 C ATOM 1378 C PHE B 20 23.453 34.617 22.510 1.00 34.42 C ATOM 1379 O PHE B 20 24.406 35.364 22.420 1.00 33.94 O ATOM 1380 CB PHE B 20 24.621 32.418 22.296 1.00 34.18 C ATOM 1381 CG PHE B 20 25.021 31.179 23.058 1.00 32.04 C ATOM 1382 CD1 PHE B 20 24.261 30.011 22.934 1.00 31.71 C ATOM 1383 CD2 PHE B 20 26.147 31.198 23.889 1.00 34.13 C ATOM 1384 CE1 PHE B 20 24.626 28.861 23.641 1.00 31.01 C ATOM 1385 CE2 PHE B 20 26.512 30.049 24.599 1.00 33.69 C ATOM 1386 CZ PHE B 20 25.751 28.880 24.474 1.00 32.95 C ATOM 0 H PHE B 20 22.110 32.045 22.123 1.00 35.16 H new ATOM 0 HA PHE B 20 23.920 33.290 24.139 1.00 34.19 H new ATOM 0 HB2 PHE B 20 24.202 32.142 21.329 1.00 34.18 H new ATOM 0 HB3 PHE B 20 25.498 33.034 22.099 1.00 34.18 H new ATOM 0 HD1 PHE B 20 23.392 29.997 22.292 1.00 31.71 H new ATOM 0 HD2 PHE B 20 26.734 32.100 23.982 1.00 34.13 H new ATOM 0 HE1 PHE B 20 24.040 27.959 23.544 1.00 31.01 H new ATOM 0 HE2 PHE B 20 27.379 30.064 25.242 1.00 33.69 H new ATOM 0 HZ PHE B 20 26.032 27.992 25.021 1.00 32.95 H new ATOM 1396 N ARG B 21 22.262 34.976 22.112 1.00 33.90 N ATOM 1397 CA ARG B 21 22.029 36.331 21.531 1.00 35.50 C ATOM 1398 C ARG B 21 22.987 36.590 20.363 1.00 34.22 C ATOM 1399 O ARG B 21 23.445 37.698 20.170 1.00 33.41 O ATOM 1400 CB ARG B 21 22.256 37.398 22.608 1.00 38.56 C ATOM 1401 CG ARG B 21 21.275 37.182 23.771 1.00 42.96 C ATOM 1402 CD ARG B 21 19.824 37.507 23.336 1.00 46.75 C ATOM 1403 NE ARG B 21 19.162 38.383 24.360 1.00 50.46 N ATOM 1404 CZ ARG B 21 19.236 38.113 25.639 1.00 51.88 C ATOM 1405 NH1 ARG B 21 19.822 37.023 26.052 1.00 54.10 N ATOM 1406 NH2 ARG B 21 18.700 38.928 26.505 1.00 54.21 N ATOM 0 H ARG B 21 21.433 34.384 22.165 1.00 33.90 H new ATOM 0 HA ARG B 21 21.003 36.378 21.167 1.00 35.50 H new ATOM 0 HB2 ARG B 21 23.282 37.348 22.972 1.00 38.56 H new ATOM 0 HB3 ARG B 21 22.117 38.392 22.183 1.00 38.56 H new ATOM 0 HG2 ARG B 21 21.333 36.149 24.115 1.00 42.96 H new ATOM 0 HG3 ARG B 21 21.557 37.814 24.613 1.00 42.96 H new ATOM 0 HD2 ARG B 21 19.830 38.007 22.368 1.00 46.75 H new ATOM 0 HD3 ARG B 21 19.257 36.584 23.215 1.00 46.75 H new ATOM 0 HE ARG B 21 18.644 39.206 24.053 1.00 50.46 H new ATOM 0 HH11 ARG B 21 20.227 36.374 25.377 1.00 54.10 H new ATOM 0 HH12 ARG B 21 19.876 36.820 27.050 1.00 54.10 H new ATOM 0 HH21 ARG B 21 18.225 39.772 26.185 1.00 54.21 H new ATOM 0 HH22 ARG B 21 18.756 38.721 27.502 1.00 54.21 H new ATOM 1420 N TYR B 22 23.300 35.592 19.578 1.00 31.03 N ATOM 1421 CA TYR B 22 24.229 35.825 18.439 1.00 30.00 C ATOM 1422 C TYR B 22 23.495 36.630 17.329 1.00 28.60 C ATOM 1423 O TYR B 22 22.303 36.472 17.164 1.00 27.38 O ATOM 1424 CB TYR B 22 24.660 34.466 17.866 1.00 26.97 C ATOM 1425 CG TYR B 22 25.780 33.842 18.693 1.00 28.47 C ATOM 1426 CD1 TYR B 22 26.995 34.519 18.893 1.00 28.83 C ATOM 1427 CD2 TYR B 22 25.599 32.569 19.255 1.00 26.95 C ATOM 1428 CE1 TYR B 22 28.013 33.926 19.652 1.00 27.02 C ATOM 1429 CE2 TYR B 22 26.619 31.980 20.013 1.00 26.27 C ATOM 1430 CZ TYR B 22 27.825 32.659 20.211 1.00 26.46 C ATOM 1431 OH TYR B 22 28.829 32.077 20.958 1.00 23.82 O ATOM 0 H TYR B 22 22.956 34.637 19.676 1.00 31.03 H new ATOM 0 HA TYR B 22 25.100 36.384 18.782 1.00 30.00 H new ATOM 0 HB2 TYR B 22 23.804 33.792 17.843 1.00 26.97 H new ATOM 0 HB3 TYR B 22 24.994 34.593 16.836 1.00 26.97 H new ATOM 0 HD1 TYR B 22 27.145 35.498 18.461 1.00 28.83 H new ATOM 0 HD2 TYR B 22 24.669 32.041 19.102 1.00 26.95 H new ATOM 0 HE1 TYR B 22 28.945 34.449 19.805 1.00 27.02 H new ATOM 0 HE2 TYR B 22 26.474 31.001 20.445 1.00 26.27 H new ATOM 0 HH TYR B 22 29.600 32.681 20.997 1.00 23.82 H new ATOM 1441 N PRO B 23 24.219 37.448 16.575 1.00 29.13 N ATOM 1442 CA PRO B 23 23.617 38.227 15.467 1.00 28.62 C ATOM 1443 C PRO B 23 22.907 37.286 14.474 1.00 28.74 C ATOM 1444 O PRO B 23 22.938 36.082 14.615 1.00 26.54 O ATOM 1445 CB PRO B 23 24.808 38.951 14.793 1.00 29.12 C ATOM 1446 CG PRO B 23 26.094 38.566 15.577 1.00 29.87 C ATOM 1447 CD PRO B 23 25.665 37.674 16.763 1.00 29.51 C ATOM 0 HA PRO B 23 22.863 38.932 15.817 1.00 28.62 H new ATOM 0 HB2 PRO B 23 24.894 38.656 13.747 1.00 29.12 H new ATOM 0 HB3 PRO B 23 24.659 40.031 14.808 1.00 29.12 H new ATOM 0 HG2 PRO B 23 26.792 38.035 14.931 1.00 29.87 H new ATOM 0 HG3 PRO B 23 26.607 39.459 15.935 1.00 29.87 H new ATOM 0 HD2 PRO B 23 26.214 36.732 16.766 1.00 29.51 H new ATOM 0 HD3 PRO B 23 25.866 38.163 17.716 1.00 29.51 H new ATOM 1455 N TRP B 24 22.263 37.840 13.476 1.00 24.77 N ATOM 1456 CA TRP B 24 21.539 36.994 12.473 1.00 26.20 C ATOM 1457 C TRP B 24 22.510 36.412 11.440 1.00 24.23 C ATOM 1458 O TRP B 24 22.176 35.489 10.724 1.00 20.77 O ATOM 1459 CB TRP B 24 20.488 37.843 11.752 1.00 28.27 C ATOM 1460 CG TRP B 24 19.807 37.015 10.707 1.00 30.88 C ATOM 1461 CD1 TRP B 24 19.871 37.241 9.374 1.00 31.38 C ATOM 1462 CD2 TRP B 24 18.966 35.834 10.880 1.00 29.00 C ATOM 1463 NE1 TRP B 24 19.125 36.278 8.719 1.00 31.09 N ATOM 1464 CE2 TRP B 24 18.548 35.389 9.603 1.00 31.07 C ATOM 1465 CE3 TRP B 24 18.529 35.114 12.007 1.00 30.12 C ATOM 1466 CZ2 TRP B 24 17.727 34.270 9.451 1.00 31.07 C ATOM 1467 CZ3 TRP B 24 17.703 33.988 11.857 1.00 31.73 C ATOM 1468 CH2 TRP B 24 17.304 33.567 10.581 1.00 30.51 C ATOM 0 H TRP B 24 22.207 38.845 13.311 1.00 24.77 H new ATOM 0 HA TRP B 24 21.060 36.171 13.003 1.00 26.20 H new ATOM 0 HB2 TRP B 24 19.756 38.219 12.467 1.00 28.27 H new ATOM 0 HB3 TRP B 24 20.960 38.711 11.292 1.00 28.27 H new ATOM 0 HD1 TRP B 24 20.416 38.043 8.899 1.00 31.38 H new ATOM 0 HE1 TRP B 24 19.015 36.231 7.706 1.00 31.09 H new ATOM 0 HE3 TRP B 24 18.831 35.429 12.995 1.00 30.12 H new ATOM 0 HZ2 TRP B 24 17.421 33.950 8.466 1.00 31.07 H new ATOM 0 HZ3 TRP B 24 17.373 33.444 12.730 1.00 31.73 H new ATOM 0 HH2 TRP B 24 16.670 32.700 10.472 1.00 30.51 H new ATOM 1479 N GLU B 25 23.696 36.941 11.335 1.00 21.71 N ATOM 1480 CA GLU B 25 24.653 36.404 10.322 1.00 23.69 C ATOM 1481 C GLU B 25 25.296 35.104 10.827 1.00 22.17 C ATOM 1482 O GLU B 25 25.936 34.402 10.072 1.00 20.98 O ATOM 1483 CB GLU B 25 25.744 37.450 10.030 1.00 29.06 C ATOM 1484 CG GLU B 25 26.103 38.202 11.314 1.00 37.12 C ATOM 1485 CD GLU B 25 27.464 38.884 11.152 1.00 42.03 C ATOM 1486 OE1 GLU B 25 27.530 39.871 10.437 1.00 44.49 O ATOM 1487 OE2 GLU B 25 28.418 38.407 11.745 1.00 44.52 O ATOM 0 H GLU B 25 24.045 37.715 11.900 1.00 21.71 H new ATOM 0 HA GLU B 25 24.107 36.188 9.404 1.00 23.69 H new ATOM 0 HB2 GLU B 25 26.630 36.961 9.625 1.00 29.06 H new ATOM 0 HB3 GLU B 25 25.394 38.152 9.273 1.00 29.06 H new ATOM 0 HG2 GLU B 25 25.338 38.945 11.537 1.00 37.12 H new ATOM 0 HG3 GLU B 25 26.130 37.510 12.156 1.00 37.12 H new ATOM 1494 N LEU B 26 25.158 34.780 12.093 1.00 18.07 N ATOM 1495 CA LEU B 26 25.790 33.524 12.621 1.00 16.50 C ATOM 1496 C LEU B 26 24.811 32.355 12.574 1.00 16.77 C ATOM 1497 O LEU B 26 24.978 31.372 13.269 1.00 16.07 O ATOM 1498 CB LEU B 26 26.248 33.737 14.062 1.00 18.60 C ATOM 1499 CG LEU B 26 27.026 35.054 14.185 1.00 21.90 C ATOM 1500 CD1 LEU B 26 27.802 35.059 15.502 1.00 24.06 C ATOM 1501 CD2 LEU B 26 28.022 35.206 13.027 1.00 25.09 C ATOM 0 H LEU B 26 24.639 35.326 12.780 1.00 18.07 H new ATOM 0 HA LEU B 26 26.647 33.289 11.990 1.00 16.50 H new ATOM 0 HB2 LEU B 26 25.384 33.754 14.727 1.00 18.60 H new ATOM 0 HB3 LEU B 26 26.877 32.905 14.378 1.00 18.60 H new ATOM 0 HG LEU B 26 26.316 35.880 14.155 1.00 21.90 H new ATOM 0 HD11 LEU B 26 28.357 35.993 15.594 1.00 24.06 H new ATOM 0 HD12 LEU B 26 27.105 34.967 16.335 1.00 24.06 H new ATOM 0 HD13 LEU B 26 28.498 34.221 15.517 1.00 24.06 H new ATOM 0 HD21 LEU B 26 28.563 36.146 13.133 1.00 25.09 H new ATOM 0 HD22 LEU B 26 28.729 34.377 13.044 1.00 25.09 H new ATOM 0 HD23 LEU B 26 27.482 35.203 12.080 1.00 25.09 H new ATOM 1513 N MET B 27 23.812 32.420 11.741 1.00 15.51 N ATOM 1514 CA MET B 27 22.879 31.273 11.652 1.00 15.51 C ATOM 1515 C MET B 27 23.620 30.055 11.055 1.00 15.79 C ATOM 1516 O MET B 27 23.403 28.950 11.513 1.00 14.86 O ATOM 1517 CB MET B 27 21.642 31.633 10.809 1.00 16.03 C ATOM 1518 CG MET B 27 20.648 32.415 11.664 1.00 14.48 C ATOM 1519 SD MET B 27 19.839 31.304 12.847 1.00 11.00 S ATOM 1520 CE MET B 27 18.915 30.299 11.657 1.00 16.96 C ATOM 0 H MET B 27 23.605 33.208 11.127 1.00 15.51 H new ATOM 0 HA MET B 27 22.529 31.021 12.653 1.00 15.51 H new ATOM 0 HB2 MET B 27 21.939 32.227 9.945 1.00 16.03 H new ATOM 0 HB3 MET B 27 21.173 30.726 10.427 1.00 16.03 H new ATOM 0 HG2 MET B 27 21.164 33.214 12.197 1.00 14.48 H new ATOM 0 HG3 MET B 27 19.901 32.888 11.027 1.00 14.48 H new ATOM 0 HE1 MET B 27 17.963 30.000 12.095 1.00 16.96 H new ATOM 0 HE2 MET B 27 18.732 30.881 10.754 1.00 16.96 H new ATOM 0 HE3 MET B 27 19.494 29.410 11.405 1.00 16.96 H new ATOM 1530 N PRO B 28 24.497 30.260 10.073 1.00 15.25 N ATOM 1531 CA PRO B 28 25.256 29.136 9.491 1.00 16.18 C ATOM 1532 C PRO B 28 26.096 28.478 10.590 1.00 15.53 C ATOM 1533 O PRO B 28 26.346 27.298 10.561 1.00 16.52 O ATOM 1534 CB PRO B 28 26.140 29.784 8.396 1.00 16.78 C ATOM 1535 CG PRO B 28 25.595 31.215 8.186 1.00 19.84 C ATOM 1536 CD PRO B 28 24.809 31.572 9.458 1.00 17.18 C ATOM 0 HA PRO B 28 24.625 28.354 9.069 1.00 16.18 H new ATOM 0 HB2 PRO B 28 27.185 29.808 8.704 1.00 16.78 H new ATOM 0 HB3 PRO B 28 26.094 29.211 7.470 1.00 16.78 H new ATOM 0 HG2 PRO B 28 26.410 31.920 8.022 1.00 19.84 H new ATOM 0 HG3 PRO B 28 24.952 31.261 7.307 1.00 19.84 H new ATOM 0 HD2 PRO B 28 25.399 32.196 10.129 1.00 17.18 H new ATOM 0 HD3 PRO B 28 23.901 32.127 9.222 1.00 17.18 H new ATOM 1544 N LEU B 29 26.520 29.232 11.569 1.00 13.35 N ATOM 1545 CA LEU B 29 27.329 28.632 12.669 1.00 12.43 C ATOM 1546 C LEU B 29 26.392 27.913 13.638 1.00 12.94 C ATOM 1547 O LEU B 29 26.545 26.735 13.895 1.00 13.87 O ATOM 1548 CB LEU B 29 28.108 29.728 13.399 1.00 15.82 C ATOM 1549 CG LEU B 29 28.837 30.604 12.375 1.00 12.60 C ATOM 1550 CD1 LEU B 29 29.734 31.603 13.110 1.00 13.73 C ATOM 1551 CD2 LEU B 29 29.696 29.717 11.455 1.00 13.81 C ATOM 0 H LEU B 29 26.342 30.233 11.654 1.00 13.35 H new ATOM 0 HA LEU B 29 28.042 27.918 12.257 1.00 12.43 H new ATOM 0 HB2 LEU B 29 27.428 30.336 13.996 1.00 15.82 H new ATOM 0 HB3 LEU B 29 28.825 29.282 14.088 1.00 15.82 H new ATOM 0 HG LEU B 29 28.107 31.145 11.773 1.00 12.60 H new ATOM 0 HD11 LEU B 29 30.254 32.228 12.384 1.00 13.73 H new ATOM 0 HD12 LEU B 29 29.124 32.232 13.758 1.00 13.73 H new ATOM 0 HD13 LEU B 29 30.464 31.062 13.712 1.00 13.73 H new ATOM 0 HD21 LEU B 29 30.214 30.342 10.727 1.00 13.81 H new ATOM 0 HD22 LEU B 29 30.428 29.174 12.053 1.00 13.81 H new ATOM 0 HD23 LEU B 29 29.055 29.007 10.933 1.00 13.81 H new ATOM 1563 N MET B 30 25.403 28.591 14.162 1.00 13.14 N ATOM 1564 CA MET B 30 24.456 27.906 15.083 1.00 14.92 C ATOM 1565 C MET B 30 23.931 26.667 14.367 1.00 15.06 C ATOM 1566 O MET B 30 23.625 25.657 14.969 1.00 14.78 O ATOM 1567 CB MET B 30 23.277 28.828 15.398 1.00 14.70 C ATOM 1568 CG MET B 30 23.744 30.032 16.213 1.00 10.57 C ATOM 1569 SD MET B 30 24.333 29.479 17.836 1.00 7.09 S ATOM 1570 CE MET B 30 26.084 29.876 17.615 1.00 13.40 C ATOM 0 H MET B 30 25.214 29.579 13.993 1.00 13.14 H new ATOM 0 HA MET B 30 24.960 27.642 16.013 1.00 14.92 H new ATOM 0 HB2 MET B 30 22.814 29.166 14.471 1.00 14.70 H new ATOM 0 HB3 MET B 30 22.516 28.279 15.952 1.00 14.70 H new ATOM 0 HG2 MET B 30 24.542 30.554 15.684 1.00 10.57 H new ATOM 0 HG3 MET B 30 22.925 30.741 16.335 1.00 10.57 H new ATOM 0 HE1 MET B 30 26.622 29.674 18.541 1.00 13.40 H new ATOM 0 HE2 MET B 30 26.498 29.263 16.814 1.00 13.40 H new ATOM 0 HE3 MET B 30 26.188 30.930 17.357 1.00 13.40 H new ATOM 1580 N TYR B 31 23.826 26.756 13.070 1.00 13.82 N ATOM 1581 CA TYR B 31 23.323 25.609 12.272 1.00 14.24 C ATOM 1582 C TYR B 31 24.285 24.418 12.400 1.00 15.20 C ATOM 1583 O TYR B 31 23.891 23.329 12.767 1.00 15.23 O ATOM 1584 CB TYR B 31 23.214 26.028 10.802 1.00 15.18 C ATOM 1585 CG TYR B 31 22.880 24.824 9.957 1.00 19.70 C ATOM 1586 CD1 TYR B 31 23.904 23.971 9.528 1.00 21.03 C ATOM 1587 CD2 TYR B 31 21.552 24.557 9.605 1.00 22.09 C ATOM 1588 CE1 TYR B 31 23.603 22.853 8.749 1.00 22.51 C ATOM 1589 CE2 TYR B 31 21.251 23.436 8.826 1.00 25.56 C ATOM 1590 CZ TYR B 31 22.276 22.583 8.397 1.00 25.00 C ATOM 1591 OH TYR B 31 21.977 21.477 7.628 1.00 30.46 O ATOM 0 H TYR B 31 24.070 27.584 12.526 1.00 13.82 H new ATOM 0 HA TYR B 31 22.342 25.312 12.644 1.00 14.24 H new ATOM 0 HB2 TYR B 31 22.444 26.791 10.687 1.00 15.18 H new ATOM 0 HB3 TYR B 31 24.153 26.470 10.469 1.00 15.18 H new ATOM 0 HD1 TYR B 31 24.928 24.179 9.800 1.00 21.03 H new ATOM 0 HD2 TYR B 31 20.762 25.215 9.934 1.00 22.09 H new ATOM 0 HE1 TYR B 31 24.394 22.196 8.418 1.00 22.51 H new ATOM 0 HE2 TYR B 31 20.227 23.227 8.555 1.00 25.56 H new ATOM 0 HH TYR B 31 21.010 21.436 7.476 1.00 30.46 H new ATOM 1601 N VAL B 32 25.538 24.613 12.085 1.00 14.03 N ATOM 1602 CA VAL B 32 26.517 23.487 12.171 1.00 12.14 C ATOM 1603 C VAL B 32 26.572 22.941 13.598 1.00 12.91 C ATOM 1604 O VAL B 32 26.430 21.756 13.822 1.00 14.47 O ATOM 1605 CB VAL B 32 27.909 23.981 11.757 1.00 12.64 C ATOM 1606 CG1 VAL B 32 28.895 22.812 11.797 1.00 12.95 C ATOM 1607 CG2 VAL B 32 27.847 24.553 10.336 1.00 14.27 C ATOM 0 H VAL B 32 25.927 25.502 11.772 1.00 14.03 H new ATOM 0 HA VAL B 32 26.197 22.691 11.499 1.00 12.14 H new ATOM 0 HB VAL B 32 28.240 24.759 12.445 1.00 12.64 H new ATOM 0 HG11 VAL B 32 29.885 23.161 11.503 1.00 12.95 H new ATOM 0 HG12 VAL B 32 28.938 22.407 12.808 1.00 12.95 H new ATOM 0 HG13 VAL B 32 28.565 22.034 11.108 1.00 12.95 H new ATOM 0 HG21 VAL B 32 28.836 24.904 10.042 1.00 14.27 H new ATOM 0 HG22 VAL B 32 27.517 23.777 9.645 1.00 14.27 H new ATOM 0 HG23 VAL B 32 27.144 25.385 10.309 1.00 14.27 H new ATOM 1617 N ILE B 33 26.782 23.793 14.563 1.00 13.72 N ATOM 1618 CA ILE B 33 26.851 23.333 15.979 1.00 9.81 C ATOM 1619 C ILE B 33 25.720 22.329 16.263 1.00 12.06 C ATOM 1620 O ILE B 33 25.944 21.250 16.774 1.00 13.15 O ATOM 1621 CB ILE B 33 26.730 24.577 16.870 1.00 11.56 C ATOM 1622 CG1 ILE B 33 28.066 25.337 16.822 1.00 12.90 C ATOM 1623 CG2 ILE B 33 26.411 24.183 18.311 1.00 12.06 C ATOM 1624 CD1 ILE B 33 27.929 26.737 17.432 1.00 11.54 C ATOM 0 H ILE B 33 26.910 24.796 14.430 1.00 13.72 H new ATOM 0 HA ILE B 33 27.792 22.822 16.182 1.00 9.81 H new ATOM 0 HB ILE B 33 25.919 25.207 16.506 1.00 11.56 H new ATOM 0 HG12 ILE B 33 28.827 24.775 17.363 1.00 12.90 H new ATOM 0 HG13 ILE B 33 28.404 25.419 15.789 1.00 12.90 H new ATOM 0 HG21 ILE B 33 26.330 25.081 18.924 1.00 12.06 H new ATOM 0 HG22 ILE B 33 25.467 23.638 18.339 1.00 12.06 H new ATOM 0 HG23 ILE B 33 27.208 23.549 18.700 1.00 12.06 H new ATOM 0 HD11 ILE B 33 28.889 27.250 17.384 1.00 11.54 H new ATOM 0 HD12 ILE B 33 27.185 27.306 16.874 1.00 11.54 H new ATOM 0 HD13 ILE B 33 27.615 26.651 18.472 1.00 11.54 H new ATOM 1636 N LEU B 34 24.520 22.679 15.917 1.00 13.55 N ATOM 1637 CA LEU B 34 23.351 21.771 16.131 1.00 16.27 C ATOM 1638 C LEU B 34 23.550 20.481 15.309 1.00 18.00 C ATOM 1639 O LEU B 34 23.253 19.395 15.765 1.00 20.35 O ATOM 1640 CB LEU B 34 22.085 22.542 15.645 1.00 15.33 C ATOM 1641 CG LEU B 34 21.108 23.070 16.776 1.00 18.88 C ATOM 1642 CD1 LEU B 34 21.617 22.894 18.213 1.00 18.63 C ATOM 1643 CD2 LEU B 34 20.837 24.569 16.558 1.00 18.04 C ATOM 0 H LEU B 34 24.288 23.573 15.485 1.00 13.55 H new ATOM 0 HA LEU B 34 23.246 21.490 17.179 1.00 16.27 H new ATOM 0 HB2 LEU B 34 22.411 23.394 15.049 1.00 15.33 H new ATOM 0 HB3 LEU B 34 21.519 21.887 14.982 1.00 15.33 H new ATOM 0 HG LEU B 34 20.211 22.458 16.682 1.00 18.88 H new ATOM 0 HD11 LEU B 34 20.878 23.286 18.911 1.00 18.63 H new ATOM 0 HD12 LEU B 34 21.781 21.835 18.414 1.00 18.63 H new ATOM 0 HD13 LEU B 34 22.555 23.436 18.336 1.00 18.63 H new ATOM 0 HD21 LEU B 34 20.165 24.934 17.335 1.00 18.04 H new ATOM 0 HD22 LEU B 34 21.777 25.119 16.603 1.00 18.04 H new ATOM 0 HD23 LEU B 34 20.377 24.717 15.581 1.00 18.04 H new ATOM 1655 N LYS B 35 24.039 20.592 14.107 1.00 16.90 N ATOM 1656 CA LYS B 35 24.245 19.371 13.263 1.00 19.51 C ATOM 1657 C LYS B 35 25.083 18.355 14.027 1.00 18.97 C ATOM 1658 O LYS B 35 24.969 17.161 13.835 1.00 18.29 O ATOM 1659 CB LYS B 35 24.979 19.760 11.974 1.00 23.32 C ATOM 1660 CG LYS B 35 24.969 18.576 11.005 1.00 27.46 C ATOM 1661 CD LYS B 35 25.628 18.989 9.688 1.00 30.03 C ATOM 1662 CE LYS B 35 25.649 17.796 8.730 1.00 33.24 C ATOM 1663 NZ LYS B 35 26.471 16.700 9.318 1.00 34.14 N ATOM 0 H LYS B 35 24.307 21.473 13.668 1.00 16.90 H new ATOM 0 HA LYS B 35 23.276 18.935 13.019 1.00 19.51 H new ATOM 0 HB2 LYS B 35 24.498 20.624 11.515 1.00 23.32 H new ATOM 0 HB3 LYS B 35 26.005 20.050 12.200 1.00 23.32 H new ATOM 0 HG2 LYS B 35 25.502 17.731 11.441 1.00 27.46 H new ATOM 0 HG3 LYS B 35 23.945 18.249 10.825 1.00 27.46 H new ATOM 0 HD2 LYS B 35 25.081 19.819 9.240 1.00 30.03 H new ATOM 0 HD3 LYS B 35 26.644 19.339 9.872 1.00 30.03 H new ATOM 0 HE2 LYS B 35 24.633 17.445 8.547 1.00 33.24 H new ATOM 0 HE3 LYS B 35 26.061 18.097 7.767 1.00 33.24 H new ATOM 0 HZ1 LYS B 35 26.783 16.057 8.563 1.00 34.14 H new ATOM 0 HZ2 LYS B 35 27.302 17.106 9.793 1.00 34.14 H new ATOM 0 HZ3 LYS B 35 25.901 16.171 10.009 1.00 34.14 H new ATOM 1677 N ASP B 36 25.939 18.828 14.876 1.00 17.40 N ATOM 1678 CA ASP B 36 26.818 17.919 15.654 1.00 17.99 C ATOM 1679 C ASP B 36 26.123 17.479 16.943 1.00 20.53 C ATOM 1680 O ASP B 36 26.151 16.324 17.318 1.00 21.50 O ATOM 1681 CB ASP B 36 28.089 18.691 15.982 1.00 17.75 C ATOM 1682 CG ASP B 36 28.527 19.457 14.730 1.00 19.30 C ATOM 1683 OD1 ASP B 36 28.670 18.828 13.694 1.00 17.31 O ATOM 1684 OD2 ASP B 36 28.711 20.659 14.829 1.00 18.21 O ATOM 0 H ASP B 36 26.071 19.821 15.069 1.00 17.40 H new ATOM 0 HA ASP B 36 27.047 17.022 15.078 1.00 17.99 H new ATOM 0 HB2 ASP B 36 27.911 19.382 16.806 1.00 17.75 H new ATOM 0 HB3 ASP B 36 28.875 18.008 16.303 1.00 17.75 H new ATOM 1689 N ALA B 37 25.518 18.402 17.629 1.00 17.76 N ATOM 1690 CA ALA B 37 24.830 18.074 18.908 1.00 20.31 C ATOM 1691 C ALA B 37 23.474 17.433 18.633 1.00 21.98 C ATOM 1692 O ALA B 37 22.522 17.650 19.355 1.00 20.93 O ATOM 1693 CB ALA B 37 24.624 19.372 19.674 1.00 16.79 C ATOM 0 H ALA B 37 25.469 19.384 17.356 1.00 17.76 H new ATOM 0 HA ALA B 37 25.434 17.373 19.483 1.00 20.31 H new ATOM 0 HB1 ALA B 37 24.121 19.162 20.618 1.00 16.79 H new ATOM 0 HB2 ALA B 37 25.591 19.834 19.874 1.00 16.79 H new ATOM 0 HB3 ALA B 37 24.013 20.052 19.080 1.00 16.79 H new ATOM 1699 N ASP B 38 23.365 16.655 17.602 1.00 22.08 N ATOM 1700 CA ASP B 38 22.053 16.029 17.312 1.00 24.70 C ATOM 1701 C ASP B 38 21.000 17.135 17.206 1.00 27.43 C ATOM 1702 O ASP B 38 19.812 16.887 17.255 1.00 26.89 O ATOM 1703 CB ASP B 38 21.695 15.070 18.453 1.00 26.17 C ATOM 1704 CG ASP B 38 20.664 14.047 17.970 1.00 26.41 C ATOM 1705 OD1 ASP B 38 21.002 13.259 17.102 1.00 30.65 O ATOM 1706 OD2 ASP B 38 19.554 14.069 18.477 1.00 29.79 O ATOM 0 H ASP B 38 24.118 16.426 16.953 1.00 22.08 H new ATOM 0 HA ASP B 38 22.092 15.471 16.376 1.00 24.70 H new ATOM 0 HB2 ASP B 38 22.591 14.558 18.804 1.00 26.17 H new ATOM 0 HB3 ASP B 38 21.296 15.630 19.299 1.00 26.17 H new ATOM 1711 N ALA B 39 21.443 18.355 17.064 1.00 25.83 N ATOM 1712 CA ALA B 39 20.502 19.501 16.953 1.00 28.40 C ATOM 1713 C ALA B 39 19.829 19.760 18.307 1.00 30.32 C ATOM 1714 O ALA B 39 18.851 20.475 18.397 1.00 32.55 O ATOM 1715 CB ALA B 39 19.454 19.194 15.881 1.00 28.82 C ATOM 0 H ALA B 39 22.430 18.607 17.020 1.00 25.83 H new ATOM 0 HA ALA B 39 21.051 20.398 16.666 1.00 28.40 H new ATOM 0 HB1 ALA B 39 18.763 20.033 15.797 1.00 28.82 H new ATOM 0 HB2 ALA B 39 19.949 19.035 14.923 1.00 28.82 H new ATOM 0 HB3 ALA B 39 18.903 18.295 16.158 1.00 28.82 H new ATOM 1721 N ASN B 40 20.356 19.196 19.362 1.00 29.50 N ATOM 1722 CA ASN B 40 19.760 19.421 20.714 1.00 32.01 C ATOM 1723 C ASN B 40 20.429 20.648 21.345 1.00 32.47 C ATOM 1724 O ASN B 40 21.573 20.602 21.754 1.00 29.40 O ATOM 1725 CB ASN B 40 20.003 18.184 21.590 1.00 33.06 C ATOM 1726 CG ASN B 40 18.954 17.113 21.280 1.00 33.55 C ATOM 1727 OD1 ASN B 40 18.555 16.948 20.144 1.00 35.11 O ATOM 1728 ND2 ASN B 40 18.488 16.375 22.249 1.00 33.85 N ATOM 0 H ASN B 40 21.175 18.588 19.347 1.00 29.50 H new ATOM 0 HA ASN B 40 18.686 19.590 20.630 1.00 32.01 H new ATOM 0 HB2 ASN B 40 21.003 17.790 21.409 1.00 33.06 H new ATOM 0 HB3 ASN B 40 19.955 18.459 22.644 1.00 33.06 H new ATOM 0 HD21 ASN B 40 17.788 15.659 22.054 1.00 33.85 H new ATOM 0 HD22 ASN B 40 18.823 16.514 23.202 1.00 33.85 H new ATOM 1735 N ILE B 41 19.729 21.747 21.414 1.00 33.58 N ATOM 1736 CA ILE B 41 20.326 22.982 22.002 1.00 35.14 C ATOM 1737 C ILE B 41 20.978 22.658 23.349 1.00 34.57 C ATOM 1738 O ILE B 41 22.130 22.971 23.572 1.00 33.97 O ATOM 1739 CB ILE B 41 19.226 24.048 22.174 1.00 38.72 C ATOM 1740 CG1 ILE B 41 18.837 24.549 20.761 1.00 39.13 C ATOM 1741 CG2 ILE B 41 19.721 25.217 23.084 1.00 40.27 C ATOM 1742 CD1 ILE B 41 17.818 25.703 20.816 1.00 40.55 C ATOM 0 H ILE B 41 18.767 21.844 21.088 1.00 33.58 H new ATOM 0 HA ILE B 41 21.095 23.371 21.334 1.00 35.14 H new ATOM 0 HB ILE B 41 18.353 23.622 22.668 1.00 38.72 H new ATOM 0 HG12 ILE B 41 19.732 24.881 20.235 1.00 39.13 H new ATOM 0 HG13 ILE B 41 18.418 23.723 20.186 1.00 39.13 H new ATOM 0 HG21 ILE B 41 18.927 25.956 23.190 1.00 40.27 H new ATOM 0 HG22 ILE B 41 19.987 24.826 24.066 1.00 40.27 H new ATOM 0 HG23 ILE B 41 20.595 25.685 22.631 1.00 40.27 H new ATOM 0 HD11 ILE B 41 17.575 26.022 19.803 1.00 40.55 H new ATOM 0 HD12 ILE B 41 16.911 25.364 21.317 1.00 40.55 H new ATOM 0 HD13 ILE B 41 18.246 26.540 21.367 1.00 40.55 H new ATOM 1754 N GLU B 42 20.263 22.045 24.252 1.00 35.46 N ATOM 1755 CA GLU B 42 20.873 21.724 25.575 1.00 34.62 C ATOM 1756 C GLU B 42 22.237 21.068 25.358 1.00 31.10 C ATOM 1757 O GLU B 42 23.206 21.392 26.013 1.00 29.48 O ATOM 1758 CB GLU B 42 19.959 20.769 26.346 1.00 40.18 C ATOM 1759 CG GLU B 42 18.550 21.360 26.424 1.00 46.15 C ATOM 1760 CD GLU B 42 17.629 20.390 27.167 1.00 50.80 C ATOM 1761 OE1 GLU B 42 17.736 20.315 28.380 1.00 53.92 O ATOM 1762 OE2 GLU B 42 16.834 19.738 26.510 1.00 52.61 O ATOM 0 H GLU B 42 19.292 21.755 24.134 1.00 35.46 H new ATOM 0 HA GLU B 42 20.998 22.642 26.150 1.00 34.62 H new ATOM 0 HB2 GLU B 42 19.930 19.798 25.852 1.00 40.18 H new ATOM 0 HB3 GLU B 42 20.351 20.604 27.349 1.00 40.18 H new ATOM 0 HG2 GLU B 42 18.575 22.320 26.939 1.00 46.15 H new ATOM 0 HG3 GLU B 42 18.166 21.546 25.421 1.00 46.15 H new ATOM 1769 N GLU B 43 22.322 20.159 24.428 1.00 26.75 N ATOM 1770 CA GLU B 43 23.625 19.493 24.150 1.00 25.31 C ATOM 1771 C GLU B 43 24.524 20.473 23.397 1.00 22.10 C ATOM 1772 O GLU B 43 25.660 20.691 23.761 1.00 21.22 O ATOM 1773 CB GLU B 43 23.385 18.248 23.285 1.00 24.85 C ATOM 1774 CG GLU B 43 24.708 17.510 23.029 1.00 27.31 C ATOM 1775 CD GLU B 43 24.474 16.379 22.026 1.00 29.91 C ATOM 1776 OE1 GLU B 43 23.688 16.575 21.114 1.00 28.72 O ATOM 1777 OE2 GLU B 43 25.086 15.336 22.187 1.00 30.00 O ATOM 0 H GLU B 43 21.544 19.848 23.847 1.00 26.75 H new ATOM 0 HA GLU B 43 24.101 19.195 25.084 1.00 25.31 H new ATOM 0 HB2 GLU B 43 22.680 17.582 23.783 1.00 24.85 H new ATOM 0 HB3 GLU B 43 22.934 18.538 22.336 1.00 24.85 H new ATOM 0 HG2 GLU B 43 25.455 18.204 22.644 1.00 27.31 H new ATOM 0 HG3 GLU B 43 25.099 17.107 23.963 1.00 27.31 H new ATOM 1784 N ALA B 44 24.020 21.057 22.344 1.00 21.46 N ATOM 1785 CA ALA B 44 24.840 22.016 21.551 1.00 22.00 C ATOM 1786 C ALA B 44 25.289 23.183 22.439 1.00 21.74 C ATOM 1787 O ALA B 44 26.420 23.620 22.375 1.00 19.07 O ATOM 1788 CB ALA B 44 24.008 22.519 20.352 1.00 22.06 C ATOM 0 H ALA B 44 23.072 20.910 21.998 1.00 21.46 H new ATOM 0 HA ALA B 44 25.734 21.518 21.176 1.00 22.00 H new ATOM 0 HB1 ALA B 44 24.601 23.221 19.767 1.00 22.06 H new ATOM 0 HB2 ALA B 44 23.724 21.673 19.726 1.00 22.06 H new ATOM 0 HB3 ALA B 44 23.110 23.018 20.716 1.00 22.06 H new ATOM 1794 N SER B 45 24.421 23.689 23.263 1.00 21.72 N ATOM 1795 CA SER B 45 24.814 24.823 24.143 1.00 24.00 C ATOM 1796 C SER B 45 26.031 24.422 24.979 1.00 24.30 C ATOM 1797 O SER B 45 27.001 25.148 25.069 1.00 23.27 O ATOM 1798 CB SER B 45 23.652 25.172 25.069 1.00 25.03 C ATOM 1799 OG SER B 45 23.616 24.247 26.151 1.00 28.51 O ATOM 0 H SER B 45 23.458 23.369 23.367 1.00 21.72 H new ATOM 0 HA SER B 45 25.065 25.689 23.531 1.00 24.00 H new ATOM 0 HB2 SER B 45 23.767 26.188 25.448 1.00 25.03 H new ATOM 0 HB3 SER B 45 22.712 25.141 24.518 1.00 25.03 H new ATOM 0 HG SER B 45 23.380 23.358 25.813 1.00 28.51 H new ATOM 1805 N ARG B 46 25.985 23.274 25.595 1.00 26.45 N ATOM 1806 CA ARG B 46 27.133 22.828 26.431 1.00 27.79 C ATOM 1807 C ARG B 46 28.437 22.963 25.639 1.00 26.86 C ATOM 1808 O ARG B 46 29.462 23.328 26.179 1.00 25.99 O ATOM 1809 CB ARG B 46 26.920 21.368 26.847 1.00 31.64 C ATOM 1810 CG ARG B 46 25.882 21.303 27.972 1.00 39.02 C ATOM 1811 CD ARG B 46 25.775 19.869 28.489 1.00 43.92 C ATOM 1812 NE ARG B 46 25.811 18.919 27.342 1.00 48.12 N ATOM 1813 CZ ARG B 46 26.038 17.651 27.553 1.00 50.42 C ATOM 1814 NH1 ARG B 46 26.238 17.218 28.768 1.00 52.31 N ATOM 1815 NH2 ARG B 46 26.066 16.816 26.551 1.00 52.39 N ATOM 0 H ARG B 46 25.200 22.624 25.555 1.00 26.45 H new ATOM 0 HA ARG B 46 27.198 23.452 27.323 1.00 27.79 H new ATOM 0 HB2 ARG B 46 26.583 20.781 25.993 1.00 31.64 H new ATOM 0 HB3 ARG B 46 27.862 20.933 27.181 1.00 31.64 H new ATOM 0 HG2 ARG B 46 26.168 21.972 28.783 1.00 39.02 H new ATOM 0 HG3 ARG B 46 24.913 21.642 27.606 1.00 39.02 H new ATOM 0 HD2 ARG B 46 26.595 19.657 29.175 1.00 43.92 H new ATOM 0 HD3 ARG B 46 24.849 19.742 29.050 1.00 43.92 H new ATOM 0 HE ARG B 46 25.658 19.259 26.393 1.00 48.12 H new ATOM 0 HH11 ARG B 46 26.217 17.870 29.552 1.00 52.31 H new ATOM 0 HH12 ARG B 46 26.415 16.227 28.934 1.00 52.31 H new ATOM 0 HH21 ARG B 46 25.910 17.154 25.601 1.00 52.39 H new ATOM 0 HH22 ARG B 46 26.244 15.825 26.717 1.00 52.39 H new ATOM 1829 N ARG B 47 28.409 22.683 24.366 1.00 22.86 N ATOM 1830 CA ARG B 47 29.655 22.813 23.556 1.00 20.88 C ATOM 1831 C ARG B 47 30.033 24.289 23.482 1.00 18.23 C ATOM 1832 O ARG B 47 31.094 24.693 23.914 1.00 21.17 O ATOM 1833 CB ARG B 47 29.418 22.255 22.148 1.00 19.97 C ATOM 1834 CG ARG B 47 28.580 20.975 22.254 1.00 21.43 C ATOM 1835 CD ARG B 47 28.504 20.250 20.899 1.00 22.98 C ATOM 1836 NE ARG B 47 28.385 18.785 21.153 1.00 20.54 N ATOM 1837 CZ ARG B 47 28.078 17.972 20.181 1.00 24.59 C ATOM 1838 NH1 ARG B 47 27.921 18.432 18.973 1.00 24.12 N ATOM 1839 NH2 ARG B 47 27.932 16.698 20.419 1.00 16.51 N ATOM 0 H ARG B 47 27.584 22.372 23.853 1.00 22.86 H new ATOM 0 HA ARG B 47 30.465 22.249 24.019 1.00 20.88 H new ATOM 0 HB2 ARG B 47 28.903 22.992 21.532 1.00 19.97 H new ATOM 0 HB3 ARG B 47 30.370 22.043 21.662 1.00 19.97 H new ATOM 0 HG2 ARG B 47 29.016 20.312 23.001 1.00 21.43 H new ATOM 0 HG3 ARG B 47 27.575 21.222 22.595 1.00 21.43 H new ATOM 0 HD2 ARG B 47 27.648 20.606 20.326 1.00 22.98 H new ATOM 0 HD3 ARG B 47 29.394 20.461 20.306 1.00 22.98 H new ATOM 0 HE ARG B 47 28.544 18.418 22.091 1.00 20.54 H new ATOM 0 HH11 ARG B 47 28.038 19.428 18.787 1.00 24.12 H new ATOM 0 HH12 ARG B 47 27.681 17.796 18.212 1.00 24.12 H new ATOM 0 HH21 ARG B 47 28.058 16.338 21.365 1.00 16.51 H new ATOM 0 HH22 ARG B 47 27.692 16.061 19.659 1.00 16.51 H new ATOM 1853 N ILE B 48 29.155 25.101 22.966 1.00 16.11 N ATOM 1854 CA ILE B 48 29.436 26.564 22.894 1.00 18.86 C ATOM 1855 C ILE B 48 29.931 27.017 24.256 1.00 23.26 C ATOM 1856 O ILE B 48 31.003 27.566 24.400 1.00 21.90 O ATOM 1857 CB ILE B 48 28.145 27.294 22.550 1.00 18.65 C ATOM 1858 CG1 ILE B 48 27.564 26.657 21.289 1.00 19.26 C ATOM 1859 CG2 ILE B 48 28.449 28.774 22.308 1.00 21.02 C ATOM 1860 CD1 ILE B 48 26.362 27.463 20.783 1.00 15.25 C ATOM 0 H ILE B 48 28.251 24.815 22.589 1.00 16.11 H new ATOM 0 HA ILE B 48 30.187 26.779 22.134 1.00 18.86 H new ATOM 0 HB ILE B 48 27.427 27.218 23.367 1.00 18.65 H new ATOM 0 HG12 ILE B 48 28.329 26.609 20.514 1.00 19.26 H new ATOM 0 HG13 ILE B 48 27.259 25.632 21.500 1.00 19.26 H new ATOM 0 HG21 ILE B 48 27.526 29.299 22.061 1.00 21.02 H new ATOM 0 HG22 ILE B 48 28.884 29.208 23.208 1.00 21.02 H new ATOM 0 HG23 ILE B 48 29.153 28.870 21.482 1.00 21.02 H new ATOM 0 HD11 ILE B 48 25.962 26.994 19.884 1.00 15.25 H new ATOM 0 HD12 ILE B 48 25.591 27.489 21.553 1.00 15.25 H new ATOM 0 HD13 ILE B 48 26.678 28.480 20.551 1.00 15.25 H new ATOM 1872 N GLU B 49 29.151 26.755 25.259 1.00 24.41 N ATOM 1873 CA GLU B 49 29.539 27.127 26.644 1.00 29.72 C ATOM 1874 C GLU B 49 30.991 26.750 26.887 1.00 31.01 C ATOM 1875 O GLU B 49 31.834 27.590 27.134 1.00 30.32 O ATOM 1876 CB GLU B 49 28.697 26.309 27.603 1.00 30.86 C ATOM 1877 CG GLU B 49 27.288 26.900 27.719 1.00 35.37 C ATOM 1878 CD GLU B 49 26.565 26.264 28.908 1.00 37.77 C ATOM 1879 OE1 GLU B 49 26.178 25.113 28.794 1.00 38.92 O ATOM 1880 OE2 GLU B 49 26.411 26.940 29.913 1.00 38.78 O ATOM 0 H GLU B 49 28.246 26.291 25.178 1.00 24.41 H new ATOM 0 HA GLU B 49 29.396 28.198 26.788 1.00 29.72 H new ATOM 0 HB2 GLU B 49 28.638 25.278 27.255 1.00 30.86 H new ATOM 0 HB3 GLU B 49 29.171 26.288 28.584 1.00 30.86 H new ATOM 0 HG2 GLU B 49 27.345 27.981 27.850 1.00 35.37 H new ATOM 0 HG3 GLU B 49 26.729 26.719 26.801 1.00 35.37 H new ATOM 1887 N GLU B 50 31.287 25.478 26.800 1.00 31.22 N ATOM 1888 CA GLU B 50 32.686 25.030 27.004 1.00 30.52 C ATOM 1889 C GLU B 50 33.542 25.907 26.118 1.00 30.97 C ATOM 1890 O GLU B 50 34.542 26.423 26.519 1.00 30.11 O ATOM 1891 CB GLU B 50 32.808 23.547 26.592 1.00 33.65 C ATOM 1892 CG GLU B 50 33.916 22.860 27.398 1.00 34.45 C ATOM 1893 CD GLU B 50 33.968 21.376 27.029 1.00 36.26 C ATOM 1894 OE1 GLU B 50 33.006 20.681 27.311 1.00 36.07 O ATOM 1895 OE2 GLU B 50 34.970 20.959 26.471 1.00 35.94 O ATOM 0 H GLU B 50 30.617 24.736 26.597 1.00 31.22 H new ATOM 0 HA GLU B 50 32.999 25.112 28.045 1.00 30.52 H new ATOM 0 HB2 GLU B 50 31.859 23.037 26.758 1.00 33.65 H new ATOM 0 HB3 GLU B 50 33.026 23.475 25.526 1.00 33.65 H new ATOM 0 HG2 GLU B 50 34.877 23.331 27.191 1.00 34.45 H new ATOM 0 HG3 GLU B 50 33.728 22.974 28.466 1.00 34.45 H new ATOM 1902 N GLY B 51 33.086 26.109 24.926 1.00 0.00 N ATOM 1903 CA GLY B 51 33.805 26.981 23.965 1.00 0.00 C ATOM 1904 C GLY B 51 34.024 28.375 24.568 1.00 0.00 C ATOM 1905 O GLY B 51 35.131 28.838 24.744 1.00 0.00 O ATOM 0 H GLY B 51 32.225 25.698 24.565 1.00 0.00 H new ATOM 0 HA2 GLY B 51 34.765 26.534 23.707 1.00 0.00 H new ATOM 0 HA3 GLY B 51 33.233 27.063 23.041 1.00 0.00 H new ATOM 1909 N GLN B 52 32.952 29.061 24.868 1.00 30.19 N ATOM 1910 CA GLN B 52 33.070 30.437 25.446 1.00 33.26 C ATOM 1911 C GLN B 52 34.080 30.396 26.574 1.00 34.21 C ATOM 1912 O GLN B 52 35.004 31.182 26.645 1.00 33.27 O ATOM 1913 CB GLN B 52 31.720 30.883 26.019 1.00 34.36 C ATOM 1914 CG GLN B 52 30.603 30.706 24.973 1.00 37.06 C ATOM 1915 CD GLN B 52 30.452 31.971 24.126 1.00 39.18 C ATOM 1916 OE1 GLN B 52 31.416 32.660 23.856 1.00 39.82 O ATOM 1917 NE2 GLN B 52 29.267 32.304 23.694 1.00 40.80 N ATOM 0 H GLN B 52 31.997 28.728 24.738 1.00 30.19 H new ATOM 0 HA GLN B 52 33.381 31.133 24.667 1.00 33.26 H new ATOM 0 HB2 GLN B 52 31.487 30.301 26.910 1.00 34.36 H new ATOM 0 HB3 GLN B 52 31.776 31.927 26.326 1.00 34.36 H new ATOM 0 HG2 GLN B 52 30.831 29.856 24.330 1.00 37.06 H new ATOM 0 HG3 GLN B 52 29.661 30.483 25.474 1.00 37.06 H new ATOM 0 HE21 GLN B 52 28.459 31.724 23.922 1.00 40.80 H new ATOM 0 HE22 GLN B 52 29.148 33.144 23.128 1.00 40.80 H new ATOM 1926 N TYR B 53 33.905 29.458 27.446 1.00 35.76 N ATOM 1927 CA TYR B 53 34.839 29.306 28.580 1.00 38.60 C ATOM 1928 C TYR B 53 36.192 28.874 28.021 1.00 39.68 C ATOM 1929 O TYR B 53 37.224 29.420 28.336 1.00 39.52 O ATOM 1930 CB TYR B 53 34.291 28.222 29.522 1.00 40.83 C ATOM 1931 CG TYR B 53 35.402 27.676 30.388 1.00 43.21 C ATOM 1932 CD1 TYR B 53 36.251 26.687 29.889 1.00 44.13 C ATOM 1933 CD2 TYR B 53 35.580 28.164 31.677 1.00 43.89 C ATOM 1934 CE1 TYR B 53 37.281 26.185 30.681 1.00 47.20 C ATOM 1935 CE2 TYR B 53 36.613 27.665 32.480 1.00 46.12 C ATOM 1936 CZ TYR B 53 37.466 26.672 31.980 1.00 46.20 C ATOM 1937 OH TYR B 53 38.485 26.174 32.767 1.00 48.95 O ATOM 0 H TYR B 53 33.143 28.780 27.421 1.00 35.76 H new ATOM 0 HA TYR B 53 34.947 30.241 29.130 1.00 38.60 H new ATOM 0 HB2 TYR B 53 33.502 28.639 30.149 1.00 40.83 H new ATOM 0 HB3 TYR B 53 33.843 27.416 28.940 1.00 40.83 H new ATOM 0 HD1 TYR B 53 36.109 26.310 28.887 1.00 44.13 H new ATOM 0 HD2 TYR B 53 34.921 28.929 32.060 1.00 43.89 H new ATOM 0 HE1 TYR B 53 37.937 25.420 30.293 1.00 47.20 H new ATOM 0 HE2 TYR B 53 36.752 28.044 33.482 1.00 46.12 H new ATOM 0 HH TYR B 53 39.047 25.574 32.233 1.00 48.95 H new ATOM 1947 N VAL B 54 36.175 27.888 27.189 1.00 39.35 N ATOM 1948 CA VAL B 54 37.429 27.376 26.588 1.00 40.00 C ATOM 1949 C VAL B 54 38.229 28.558 26.033 1.00 40.47 C ATOM 1950 O VAL B 54 39.373 28.774 26.381 1.00 39.23 O ATOM 1951 CB VAL B 54 37.008 26.426 25.464 1.00 40.33 C ATOM 1952 CG1 VAL B 54 38.089 26.280 24.422 1.00 40.58 C ATOM 1953 CG2 VAL B 54 36.604 25.030 26.010 1.00 39.92 C ATOM 0 H VAL B 54 35.329 27.402 26.891 1.00 39.35 H new ATOM 0 HA VAL B 54 38.056 26.856 27.312 1.00 40.00 H new ATOM 0 HB VAL B 54 36.134 26.875 24.992 1.00 40.33 H new ATOM 0 HG11 VAL B 54 37.752 25.598 23.641 1.00 40.58 H new ATOM 0 HG12 VAL B 54 38.306 27.254 23.984 1.00 40.58 H new ATOM 0 HG13 VAL B 54 38.991 25.882 24.887 1.00 40.58 H new ATOM 0 HG21 VAL B 54 36.312 24.386 25.181 1.00 39.92 H new ATOM 0 HG22 VAL B 54 37.450 24.586 26.534 1.00 39.92 H new ATOM 0 HG23 VAL B 54 35.766 25.137 26.699 1.00 39.92 H new ATOM 1963 N VAL B 55 37.625 29.318 25.167 1.00 40.13 N ATOM 1964 CA VAL B 55 38.325 30.487 24.572 1.00 42.29 C ATOM 1965 C VAL B 55 38.673 31.493 25.675 1.00 43.82 C ATOM 1966 O VAL B 55 39.816 31.873 25.836 1.00 43.78 O ATOM 1967 CB VAL B 55 37.403 31.141 23.532 1.00 41.62 C ATOM 1968 CG1 VAL B 55 38.114 32.315 22.851 1.00 42.45 C ATOM 1969 CG2 VAL B 55 37.030 30.101 22.474 1.00 41.12 C ATOM 0 H VAL B 55 36.668 29.178 24.843 1.00 40.13 H new ATOM 0 HA VAL B 55 39.247 30.164 24.088 1.00 42.29 H new ATOM 0 HB VAL B 55 36.508 31.511 24.033 1.00 41.62 H new ATOM 0 HG11 VAL B 55 37.447 32.768 22.117 1.00 42.45 H new ATOM 0 HG12 VAL B 55 38.388 33.058 23.600 1.00 42.45 H new ATOM 0 HG13 VAL B 55 39.013 31.955 22.351 1.00 42.45 H new ATOM 0 HG21 VAL B 55 36.375 30.556 21.731 1.00 41.12 H new ATOM 0 HG22 VAL B 55 37.935 29.737 21.986 1.00 41.12 H new ATOM 0 HG23 VAL B 55 36.514 29.267 22.950 1.00 41.12 H new ATOM 1979 N ASN B 56 37.703 31.939 26.431 1.00 44.48 N ATOM 1980 CA ASN B 56 38.008 32.929 27.504 1.00 47.06 C ATOM 1981 C ASN B 56 39.039 32.333 28.465 1.00 47.69 C ATOM 1982 O ASN B 56 39.821 33.039 29.071 1.00 47.82 O ATOM 1983 CB ASN B 56 36.708 33.338 28.236 1.00 46.90 C ATOM 1984 CG ASN B 56 36.363 32.404 29.409 1.00 47.81 C ATOM 1985 OD1 ASN B 56 36.937 31.354 29.574 1.00 48.43 O ATOM 1986 ND2 ASN B 56 35.426 32.761 30.244 1.00 47.03 N ATOM 0 H ASN B 56 36.724 31.664 26.353 1.00 44.48 H new ATOM 0 HA ASN B 56 38.433 33.832 27.067 1.00 47.06 H new ATOM 0 HB2 ASN B 56 36.812 34.357 28.608 1.00 46.90 H new ATOM 0 HB3 ASN B 56 35.882 33.341 27.525 1.00 46.90 H new ATOM 0 HD21 ASN B 56 35.184 32.155 31.028 1.00 47.03 H new ATOM 0 HD22 ASN B 56 34.936 33.646 30.113 1.00 47.03 H new ATOM 1993 N GLU B 57 39.055 31.037 28.592 1.00 49.57 N ATOM 1994 CA GLU B 57 40.046 30.393 29.496 1.00 51.35 C ATOM 1995 C GLU B 57 41.417 30.468 28.832 1.00 52.18 C ATOM 1996 O GLU B 57 42.375 30.944 29.409 1.00 52.13 O ATOM 1997 CB GLU B 57 39.667 28.928 29.736 1.00 52.66 C ATOM 1998 CG GLU B 57 40.562 28.336 30.825 1.00 53.83 C ATOM 1999 CD GLU B 57 40.434 26.810 30.830 1.00 55.85 C ATOM 2000 OE1 GLU B 57 40.095 26.258 29.796 1.00 57.10 O ATOM 2001 OE2 GLU B 57 40.680 26.220 31.869 1.00 56.34 O ATOM 0 H GLU B 57 38.425 30.396 28.109 1.00 49.57 H new ATOM 0 HA GLU B 57 40.062 30.907 30.457 1.00 51.35 H new ATOM 0 HB2 GLU B 57 38.621 28.857 30.033 1.00 52.66 H new ATOM 0 HB3 GLU B 57 39.776 28.358 28.813 1.00 52.66 H new ATOM 0 HG2 GLU B 57 41.599 28.622 30.651 1.00 53.83 H new ATOM 0 HG3 GLU B 57 40.279 28.737 31.798 1.00 53.83 H new