USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=21 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 150:sc= -0.416 USER MOD Set 1.2: B 52 GLN : amide:sc= -0.557 K(o=-0.97,f=-3.1) USER MOD Set 2.1: B 13 CYS SG : rot -147:sc= -9.28! USER MOD Set 2.2: B 27 MET CE :methyl -148:sc= -0.357 (180deg=-2.77!) USER MOD Set 3.1: A 22 TYR OH : rot 0:sc= -1.77 USER MOD Set 3.2: A 52 GLN : amide:sc= -1.22 K(o=-3,f=-1.1!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 72:sc= -1.17 USER MOD Single : A 14 GLN : amide:sc= -3.08! K(o=-3.1!,f=-2) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0205) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -0.0192 (180deg=-0.437) USER MOD Single : A 27 MET CE :methyl -150:sc= -0.38 (180deg=-3.05!) USER MOD Single : A 30 MET CE :methyl 176:sc= -2.81 (180deg=-2.98!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.3! K(o=-1.3!,f=-0.033) USER MOD Single : A 45 SER OG : rot -68:sc= -0.26 USER MOD Single : A 53 TYR OH : rot 8:sc= -0.196 USER MOD Single : A 56 ASN : amide:sc= -2.51! C(o=-2.5!,f=-4.1!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 GLN : amide:sc= -4.87! K(o=-4.9!,f=-2.8) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -167:sc=-0.00817 (180deg=-0.267) USER MOD Single : B 30 MET CE :methyl 173:sc= -3.63 (180deg=-3.65!) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -163:sc= -0.0188 (180deg=-0.301) USER MOD Single : B 40 ASN : amide:sc= -5.3! K(o=-5.3!,f=-0.61) USER MOD Single : B 45 SER OG : rot -65:sc= 0.142 USER MOD Single : B 53 TYR OH : rot 115:sc= 1.22 USER MOD Single : B 56 ASN : amide:sc= -2.44! C(o=-2.4!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 44.251 22.618 17.865 1.00 44.59 N ATOM 107 CA PHE A 9 42.793 22.859 17.800 1.00 42.14 C ATOM 108 C PHE A 9 42.536 24.351 17.594 1.00 41.09 C ATOM 109 O PHE A 9 41.985 24.764 16.593 1.00 40.10 O ATOM 110 CB PHE A 9 42.142 22.389 19.115 1.00 39.48 C ATOM 111 CG PHE A 9 40.714 22.023 18.842 1.00 35.93 C ATOM 112 CD1 PHE A 9 39.723 23.001 18.930 1.00 33.89 C ATOM 113 CD2 PHE A 9 40.385 20.715 18.479 1.00 34.84 C ATOM 114 CE1 PHE A 9 38.400 22.670 18.657 1.00 31.72 C ATOM 115 CE2 PHE A 9 39.059 20.388 18.204 1.00 33.98 C ATOM 116 CZ PHE A 9 38.070 21.370 18.295 1.00 33.09 C ATOM 0 HA PHE A 9 42.362 22.304 16.967 1.00 42.14 H new ATOM 0 HB2 PHE A 9 42.681 21.532 19.518 1.00 39.48 H new ATOM 0 HB3 PHE A 9 42.193 23.179 19.865 1.00 39.48 H new ATOM 0 HD1 PHE A 9 39.982 24.012 19.209 1.00 33.89 H new ATOM 0 HD2 PHE A 9 41.155 19.961 18.412 1.00 34.84 H new ATOM 0 HE1 PHE A 9 37.629 23.423 18.726 1.00 31.72 H new ATOM 0 HE2 PHE A 9 38.797 19.379 17.922 1.00 33.98 H new ATOM 0 HZ PHE A 9 37.042 21.117 18.083 1.00 33.09 H new ATOM 126 N LEU A 10 42.938 25.165 18.529 1.00 40.61 N ATOM 127 CA LEU A 10 42.721 26.627 18.373 1.00 40.95 C ATOM 128 C LEU A 10 43.394 27.084 17.084 1.00 41.08 C ATOM 129 O LEU A 10 42.922 27.975 16.408 1.00 37.24 O ATOM 130 CB LEU A 10 43.321 27.368 19.566 1.00 41.66 C ATOM 131 CG LEU A 10 42.855 26.705 20.863 1.00 43.24 C ATOM 132 CD1 LEU A 10 43.417 27.473 22.049 1.00 42.19 C ATOM 133 CD2 LEU A 10 41.325 26.719 20.938 1.00 41.41 C ATOM 0 H LEU A 10 43.405 24.882 19.390 1.00 40.61 H new ATOM 0 HA LEU A 10 41.654 26.843 18.329 1.00 40.95 H new ATOM 0 HB2 LEU A 10 44.409 27.353 19.508 1.00 41.66 H new ATOM 0 HB3 LEU A 10 43.016 28.414 19.549 1.00 41.66 H new ATOM 0 HG LEU A 10 43.208 25.674 20.884 1.00 43.24 H new ATOM 0 HD11 LEU A 10 43.087 27.004 22.976 1.00 42.19 H new ATOM 0 HD12 LEU A 10 44.506 27.464 22.005 1.00 42.19 H new ATOM 0 HD13 LEU A 10 43.061 28.503 22.017 1.00 42.19 H new ATOM 0 HD21 LEU A 10 41.002 26.245 21.865 1.00 41.41 H new ATOM 0 HD22 LEU A 10 40.969 27.749 20.914 1.00 41.41 H new ATOM 0 HD23 LEU A 10 40.914 26.173 20.089 1.00 41.41 H new ATOM 145 N ASP A 11 44.486 26.468 16.723 1.00 41.30 N ATOM 146 CA ASP A 11 45.159 26.868 15.462 1.00 41.83 C ATOM 147 C ASP A 11 44.164 26.687 14.318 1.00 40.90 C ATOM 148 O ASP A 11 43.840 27.627 13.621 1.00 39.80 O ATOM 149 CB ASP A 11 46.398 26.000 15.225 1.00 44.60 C ATOM 150 CG ASP A 11 47.408 26.237 16.350 1.00 47.53 C ATOM 151 OD1 ASP A 11 47.020 26.803 17.359 1.00 48.01 O ATOM 152 OD2 ASP A 11 48.553 25.850 16.183 1.00 48.56 O ATOM 0 H ASP A 11 44.935 25.714 17.242 1.00 41.30 H new ATOM 0 HA ASP A 11 45.481 27.908 15.521 1.00 41.83 H new ATOM 0 HB2 ASP A 11 46.117 24.947 15.190 1.00 44.60 H new ATOM 0 HB3 ASP A 11 46.847 26.243 14.262 1.00 44.60 H new ATOM 157 N TYR A 12 43.646 25.495 14.127 1.00 39.29 N ATOM 158 CA TYR A 12 42.650 25.306 13.032 1.00 38.27 C ATOM 159 C TYR A 12 41.570 26.363 13.181 1.00 34.82 C ATOM 160 O TYR A 12 41.211 27.039 12.238 1.00 33.76 O ATOM 161 CB TYR A 12 41.971 23.937 13.117 1.00 42.68 C ATOM 162 CG TYR A 12 42.924 22.787 12.833 1.00 45.94 C ATOM 163 CD1 TYR A 12 43.803 22.807 11.731 1.00 47.36 C ATOM 164 CD2 TYR A 12 42.892 21.665 13.669 1.00 48.31 C ATOM 165 CE1 TYR A 12 44.635 21.709 11.483 1.00 48.74 C ATOM 166 CE2 TYR A 12 43.719 20.581 13.419 1.00 49.78 C ATOM 167 CZ TYR A 12 44.592 20.594 12.326 1.00 49.89 C ATOM 168 OH TYR A 12 45.412 19.512 12.082 1.00 52.12 O ATOM 0 H TYR A 12 43.867 24.662 14.672 1.00 39.29 H new ATOM 0 HA TYR A 12 43.173 25.383 12.079 1.00 38.27 H new ATOM 0 HB2 TYR A 12 41.542 23.810 14.111 1.00 42.68 H new ATOM 0 HB3 TYR A 12 41.145 23.902 12.407 1.00 42.68 H new ATOM 0 HD1 TYR A 12 43.834 23.668 11.079 1.00 47.36 H new ATOM 0 HD2 TYR A 12 42.219 21.644 14.514 1.00 48.31 H new ATOM 0 HE1 TYR A 12 45.310 21.723 10.640 1.00 48.74 H new ATOM 0 HE2 TYR A 12 43.689 19.721 14.072 1.00 49.78 H new ATOM 0 HH TYR A 12 45.257 18.824 12.763 1.00 52.12 H new ATOM 178 N CYS A 13 41.050 26.520 14.366 1.00 32.26 N ATOM 179 CA CYS A 13 40.001 27.544 14.577 1.00 30.43 C ATOM 180 C CYS A 13 40.488 28.853 13.970 1.00 30.74 C ATOM 181 O CYS A 13 39.890 29.381 13.062 1.00 28.86 O ATOM 182 CB CYS A 13 39.750 27.723 16.074 1.00 30.34 C ATOM 183 SG CYS A 13 39.536 26.100 16.846 1.00 24.58 S ATOM 0 H CYS A 13 41.308 25.982 15.194 1.00 32.26 H new ATOM 0 HA CYS A 13 39.069 27.236 14.104 1.00 30.43 H new ATOM 0 HB2 CYS A 13 40.587 28.249 16.534 1.00 30.34 H new ATOM 0 HB3 CYS A 13 38.862 28.334 16.235 1.00 30.34 H new ATOM 0 HG CYS A 13 40.681 25.486 16.891 1.00 24.58 H new ATOM 189 N GLN A 14 41.589 29.362 14.447 1.00 32.92 N ATOM 190 CA GLN A 14 42.130 30.629 13.883 1.00 34.93 C ATOM 191 C GLN A 14 42.133 30.543 12.350 1.00 35.74 C ATOM 192 O GLN A 14 41.832 31.502 11.670 1.00 35.15 O ATOM 193 CB GLN A 14 43.556 30.856 14.414 1.00 36.23 C ATOM 194 CG GLN A 14 43.891 32.354 14.417 1.00 40.72 C ATOM 195 CD GLN A 14 44.089 32.837 12.979 1.00 42.88 C ATOM 196 OE1 GLN A 14 45.134 32.631 12.395 1.00 45.84 O ATOM 197 NE2 GLN A 14 43.122 33.477 12.379 1.00 44.23 N ATOM 0 H GLN A 14 42.138 28.955 15.204 1.00 32.92 H new ATOM 0 HA GLN A 14 41.505 31.469 14.186 1.00 34.93 H new ATOM 0 HB2 GLN A 14 43.644 30.455 15.424 1.00 36.23 H new ATOM 0 HB3 GLN A 14 44.272 30.317 13.794 1.00 36.23 H new ATOM 0 HG2 GLN A 14 43.087 32.916 14.893 1.00 40.72 H new ATOM 0 HG3 GLN A 14 44.794 32.534 15.000 1.00 40.72 H new ATOM 0 HE21 GLN A 14 42.244 33.650 12.869 1.00 44.23 H new ATOM 0 HE22 GLN A 14 43.244 33.804 11.420 1.00 44.23 H new ATOM 206 N LYS A 15 42.441 29.401 11.793 1.00 35.66 N ATOM 207 CA LYS A 15 42.412 29.291 10.306 1.00 36.27 C ATOM 208 C LYS A 15 40.941 29.340 9.886 1.00 34.97 C ATOM 209 O LYS A 15 40.520 30.205 9.149 1.00 34.84 O ATOM 210 CB LYS A 15 43.040 27.955 9.850 1.00 40.22 C ATOM 211 CG LYS A 15 44.547 28.099 9.612 1.00 44.18 C ATOM 212 CD LYS A 15 45.290 28.146 10.949 1.00 47.52 C ATOM 213 CE LYS A 15 46.789 27.977 10.702 1.00 50.10 C ATOM 214 NZ LYS A 15 47.325 29.198 10.037 1.00 50.42 N ATOM 0 H LYS A 15 42.707 28.553 12.294 1.00 35.66 H new ATOM 0 HA LYS A 15 42.983 30.100 9.850 1.00 36.27 H new ATOM 0 HB2 LYS A 15 42.861 27.190 10.606 1.00 40.22 H new ATOM 0 HB3 LYS A 15 42.556 27.617 8.934 1.00 40.22 H new ATOM 0 HG2 LYS A 15 44.910 27.262 9.015 1.00 44.18 H new ATOM 0 HG3 LYS A 15 44.748 29.007 9.044 1.00 44.18 H new ATOM 0 HD2 LYS A 15 45.097 29.094 11.452 1.00 47.52 H new ATOM 0 HD3 LYS A 15 44.927 27.357 11.607 1.00 47.52 H new ATOM 0 HE2 LYS A 15 47.307 27.807 11.646 1.00 50.10 H new ATOM 0 HE3 LYS A 15 46.969 27.102 10.078 1.00 50.10 H new ATOM 0 HZ1 LYS A 15 48.358 29.118 9.946 1.00 50.42 H new ATOM 0 HZ2 LYS A 15 46.900 29.294 9.093 1.00 50.42 H new ATOM 0 HZ3 LYS A 15 47.091 30.035 10.608 1.00 50.42 H new ATOM 228 N LEU A 16 40.141 28.432 10.377 1.00 31.52 N ATOM 229 CA LEU A 16 38.694 28.457 10.023 1.00 30.64 C ATOM 230 C LEU A 16 38.181 29.871 10.288 1.00 29.20 C ATOM 231 O LEU A 16 37.361 30.405 9.568 1.00 30.83 O ATOM 232 CB LEU A 16 37.950 27.427 10.895 1.00 29.49 C ATOM 233 CG LEU A 16 36.690 26.905 10.180 1.00 29.11 C ATOM 234 CD1 LEU A 16 37.064 26.225 8.846 1.00 29.81 C ATOM 235 CD2 LEU A 16 35.980 25.898 11.098 1.00 25.98 C ATOM 0 H LEU A 16 40.425 27.679 11.004 1.00 31.52 H new ATOM 0 HA LEU A 16 38.531 28.199 8.977 1.00 30.64 H new ATOM 0 HB2 LEU A 16 38.613 26.593 11.125 1.00 29.49 H new ATOM 0 HB3 LEU A 16 37.671 27.883 11.845 1.00 29.49 H new ATOM 0 HG LEU A 16 36.028 27.743 9.962 1.00 29.11 H new ATOM 0 HD11 LEU A 16 36.160 25.863 8.356 1.00 29.81 H new ATOM 0 HD12 LEU A 16 37.564 26.945 8.198 1.00 29.81 H new ATOM 0 HD13 LEU A 16 37.732 25.386 9.040 1.00 29.81 H new ATOM 0 HD21 LEU A 16 35.086 25.521 10.602 1.00 25.98 H new ATOM 0 HD22 LEU A 16 36.652 25.067 11.315 1.00 25.98 H new ATOM 0 HD23 LEU A 16 35.699 26.390 12.029 1.00 25.98 H new ATOM 247 N LEU A 17 38.709 30.481 11.305 1.00 27.96 N ATOM 248 CA LEU A 17 38.330 31.878 11.639 1.00 28.93 C ATOM 249 C LEU A 17 38.788 32.767 10.478 1.00 30.06 C ATOM 250 O LEU A 17 38.148 33.736 10.120 1.00 30.41 O ATOM 251 CB LEU A 17 39.064 32.290 12.929 1.00 24.89 C ATOM 252 CG LEU A 17 38.339 33.456 13.635 1.00 25.03 C ATOM 253 CD1 LEU A 17 37.131 32.926 14.441 1.00 21.31 C ATOM 254 CD2 LEU A 17 39.316 34.213 14.586 1.00 20.22 C ATOM 0 H LEU A 17 39.399 30.065 11.930 1.00 27.96 H new ATOM 0 HA LEU A 17 37.255 31.975 11.790 1.00 28.93 H new ATOM 0 HB2 LEU A 17 39.127 31.436 13.603 1.00 24.89 H new ATOM 0 HB3 LEU A 17 40.086 32.585 12.691 1.00 24.89 H new ATOM 0 HG LEU A 17 37.983 34.149 12.873 1.00 25.03 H new ATOM 0 HD11 LEU A 17 36.629 33.759 14.934 1.00 21.31 H new ATOM 0 HD12 LEU A 17 36.433 32.429 13.767 1.00 21.31 H new ATOM 0 HD13 LEU A 17 37.478 32.216 15.192 1.00 21.31 H new ATOM 0 HD21 LEU A 17 38.787 35.031 15.075 1.00 20.22 H new ATOM 0 HD22 LEU A 17 39.696 33.524 15.341 1.00 20.22 H new ATOM 0 HD23 LEU A 17 40.149 34.613 14.008 1.00 20.22 H new ATOM 266 N GLU A 18 39.913 32.427 9.893 1.00 32.20 N ATOM 267 CA GLU A 18 40.458 33.222 8.755 1.00 35.35 C ATOM 268 C GLU A 18 39.813 32.744 7.442 1.00 35.74 C ATOM 269 O GLU A 18 39.395 33.536 6.623 1.00 35.74 O ATOM 270 CB GLU A 18 42.008 33.065 8.739 1.00 37.07 C ATOM 271 CG GLU A 18 42.500 32.123 7.622 1.00 39.76 C ATOM 272 CD GLU A 18 44.018 31.966 7.728 1.00 41.67 C ATOM 273 OE1 GLU A 18 44.544 32.196 8.804 1.00 43.93 O ATOM 274 OE2 GLU A 18 44.628 31.617 6.731 1.00 43.25 O ATOM 0 H GLU A 18 40.480 31.623 10.162 1.00 32.20 H new ATOM 0 HA GLU A 18 40.222 34.280 8.867 1.00 35.35 H new ATOM 0 HB2 GLU A 18 42.467 34.045 8.610 1.00 37.07 H new ATOM 0 HB3 GLU A 18 42.340 32.682 9.704 1.00 37.07 H new ATOM 0 HG2 GLU A 18 42.015 31.151 7.710 1.00 39.76 H new ATOM 0 HG3 GLU A 18 42.231 32.526 6.646 1.00 39.76 H new ATOM 281 N LYS A 19 39.731 31.457 7.238 1.00 37.19 N ATOM 282 CA LYS A 19 39.116 30.940 5.982 1.00 36.85 C ATOM 283 C LYS A 19 37.782 31.650 5.736 1.00 36.69 C ATOM 284 O LYS A 19 37.476 32.060 4.634 1.00 36.88 O ATOM 285 CB LYS A 19 38.899 29.431 6.107 1.00 36.86 C ATOM 286 CG LYS A 19 38.979 28.782 4.710 1.00 40.15 C ATOM 287 CD LYS A 19 38.158 27.511 4.702 1.00 41.50 C ATOM 288 CE LYS A 19 38.463 26.700 3.441 1.00 44.93 C ATOM 289 NZ LYS A 19 38.291 27.565 2.241 1.00 44.88 N ATOM 0 H LYS A 19 40.063 30.742 7.886 1.00 37.19 H new ATOM 0 HA LYS A 19 39.779 31.134 5.139 1.00 36.85 H new ATOM 0 HB2 LYS A 19 39.653 28.998 6.765 1.00 36.86 H new ATOM 0 HB3 LYS A 19 37.928 29.229 6.559 1.00 36.86 H new ATOM 0 HG2 LYS A 19 38.608 29.473 3.953 1.00 40.15 H new ATOM 0 HG3 LYS A 19 40.016 28.560 4.458 1.00 40.15 H new ATOM 0 HD2 LYS A 19 38.382 26.918 5.589 1.00 41.50 H new ATOM 0 HD3 LYS A 19 37.096 27.754 4.740 1.00 41.50 H new ATOM 0 HE2 LYS A 19 39.482 26.314 3.481 1.00 44.93 H new ATOM 0 HE3 LYS A 19 37.798 25.839 3.380 1.00 44.93 H new ATOM 0 HZ1 LYS A 19 38.178 26.969 1.396 1.00 44.88 H new ATOM 0 HZ2 LYS A 19 37.446 28.160 2.360 1.00 44.88 H new ATOM 0 HZ3 LYS A 19 39.128 28.171 2.127 1.00 44.88 H new ATOM 303 N PHE A 20 36.989 31.798 6.762 1.00 34.99 N ATOM 304 CA PHE A 20 35.673 32.478 6.618 1.00 34.93 C ATOM 305 C PHE A 20 35.808 33.929 7.085 1.00 34.32 C ATOM 306 O PHE A 20 34.851 34.677 7.109 1.00 35.01 O ATOM 307 CB PHE A 20 34.660 31.750 7.496 1.00 34.20 C ATOM 308 CG PHE A 20 34.232 30.470 6.825 1.00 33.79 C ATOM 309 CD1 PHE A 20 34.984 29.304 7.006 1.00 32.30 C ATOM 310 CD2 PHE A 20 33.092 30.450 6.017 1.00 34.75 C ATOM 311 CE1 PHE A 20 34.594 28.117 6.378 1.00 34.86 C ATOM 312 CE2 PHE A 20 32.704 29.266 5.386 1.00 35.66 C ATOM 313 CZ PHE A 20 33.455 28.098 5.567 1.00 35.69 C ATOM 0 H PHE A 20 37.201 31.472 7.705 1.00 34.99 H new ATOM 0 HA PHE A 20 35.345 32.463 5.579 1.00 34.93 H new ATOM 0 HB2 PHE A 20 35.099 31.532 8.470 1.00 34.20 H new ATOM 0 HB3 PHE A 20 33.793 32.387 7.672 1.00 34.20 H new ATOM 0 HD1 PHE A 20 35.865 29.321 7.630 1.00 32.30 H new ATOM 0 HD2 PHE A 20 32.511 31.350 5.880 1.00 34.75 H new ATOM 0 HE1 PHE A 20 35.172 27.216 6.519 1.00 34.86 H new ATOM 0 HE2 PHE A 20 31.825 29.251 4.759 1.00 35.66 H new ATOM 0 HZ PHE A 20 33.154 27.182 5.080 1.00 35.69 H new ATOM 323 N ARG A 21 36.994 34.326 7.457 1.00 34.35 N ATOM 324 CA ARG A 21 37.213 35.724 7.925 1.00 34.08 C ATOM 325 C ARG A 21 36.261 36.052 9.077 1.00 33.06 C ATOM 326 O ARG A 21 35.830 37.179 9.225 1.00 31.60 O ATOM 327 CB ARG A 21 36.962 36.703 6.771 1.00 37.64 C ATOM 328 CG ARG A 21 37.844 36.332 5.567 1.00 41.19 C ATOM 329 CD ARG A 21 39.332 36.669 5.841 1.00 45.12 C ATOM 330 NE ARG A 21 39.919 37.399 4.669 1.00 48.87 N ATOM 331 CZ ARG A 21 39.734 36.980 3.442 1.00 50.17 C ATOM 332 NH1 ARG A 21 39.100 35.863 3.214 1.00 52.38 N ATOM 333 NH2 ARG A 21 40.206 37.672 2.443 1.00 50.69 N ATOM 0 H ARG A 21 37.827 33.737 7.457 1.00 34.35 H new ATOM 0 HA ARG A 21 38.242 35.818 8.271 1.00 34.08 H new ATOM 0 HB2 ARG A 21 35.911 36.678 6.484 1.00 37.64 H new ATOM 0 HB3 ARG A 21 37.181 37.721 7.093 1.00 37.64 H new ATOM 0 HG2 ARG A 21 37.742 35.268 5.352 1.00 41.19 H new ATOM 0 HG3 ARG A 21 37.503 36.870 4.683 1.00 41.19 H new ATOM 0 HD2 ARG A 21 39.415 37.281 6.739 1.00 45.12 H new ATOM 0 HD3 ARG A 21 39.892 35.753 6.027 1.00 45.12 H new ATOM 0 HE ARG A 21 40.474 38.239 4.831 1.00 48.87 H new ATOM 0 HH11 ARG A 21 38.745 35.310 3.994 1.00 52.38 H new ATOM 0 HH12 ARG A 21 38.960 35.543 2.256 1.00 52.38 H new ATOM 0 HH21 ARG A 21 40.718 38.537 2.618 1.00 50.69 H new ATOM 0 HH22 ARG A 21 40.064 37.349 1.486 1.00 50.69 H new ATOM 347 N TYR A 22 35.925 35.094 9.900 1.00 30.22 N ATOM 348 CA TYR A 22 35.006 35.396 11.027 1.00 29.11 C ATOM 349 C TYR A 22 35.751 36.283 12.057 1.00 27.15 C ATOM 350 O TYR A 22 36.944 36.135 12.221 1.00 25.96 O ATOM 351 CB TYR A 22 34.594 34.080 11.707 1.00 27.09 C ATOM 352 CG TYR A 22 33.461 33.396 10.948 1.00 27.40 C ATOM 353 CD1 TYR A 22 32.243 34.060 10.707 1.00 26.95 C ATOM 354 CD2 TYR A 22 33.636 32.086 10.478 1.00 25.13 C ATOM 355 CE1 TYR A 22 31.221 33.416 10.000 1.00 26.07 C ATOM 356 CE2 TYR A 22 32.610 31.446 9.774 1.00 24.89 C ATOM 357 CZ TYR A 22 31.404 32.112 9.533 1.00 24.53 C ATOM 358 OH TYR A 22 30.394 31.480 8.836 1.00 21.93 O ATOM 0 H TYR A 22 36.245 34.127 9.839 1.00 30.22 H new ATOM 0 HA TYR A 22 34.121 35.914 10.657 1.00 29.11 H new ATOM 0 HB2 TYR A 22 35.453 33.412 11.762 1.00 27.09 H new ATOM 0 HB3 TYR A 22 34.280 34.280 12.731 1.00 27.09 H new ATOM 0 HD1 TYR A 22 32.097 35.067 11.068 1.00 26.95 H new ATOM 0 HD2 TYR A 22 34.567 31.569 10.660 1.00 25.13 H new ATOM 0 HE1 TYR A 22 30.288 33.928 9.815 1.00 26.07 H new ATOM 0 HE2 TYR A 22 32.750 30.437 9.416 1.00 24.89 H new ATOM 0 HH TYR A 22 29.624 32.081 8.759 1.00 21.93 H new ATOM 368 N PRO A 23 35.041 37.162 12.745 1.00 25.95 N ATOM 369 CA PRO A 23 35.666 38.023 13.768 1.00 26.49 C ATOM 370 C PRO A 23 36.405 37.156 14.802 1.00 26.35 C ATOM 371 O PRO A 23 36.366 35.943 14.752 1.00 24.48 O ATOM 372 CB PRO A 23 34.492 38.792 14.417 1.00 27.06 C ATOM 373 CG PRO A 23 33.189 38.355 13.691 1.00 29.61 C ATOM 374 CD PRO A 23 33.593 37.378 12.566 1.00 27.83 C ATOM 0 HA PRO A 23 36.405 38.706 13.349 1.00 26.49 H new ATOM 0 HB2 PRO A 23 34.430 38.570 15.482 1.00 27.06 H new ATOM 0 HB3 PRO A 23 34.640 39.868 14.324 1.00 27.06 H new ATOM 0 HG2 PRO A 23 32.503 37.874 14.389 1.00 29.61 H new ATOM 0 HG3 PRO A 23 32.670 39.221 13.280 1.00 29.61 H new ATOM 0 HD2 PRO A 23 33.042 36.440 12.642 1.00 27.83 H new ATOM 0 HD3 PRO A 23 33.376 37.797 11.583 1.00 27.83 H new ATOM 382 N TRP A 24 37.083 37.775 15.731 1.00 23.75 N ATOM 383 CA TRP A 24 37.832 36.996 16.762 1.00 24.21 C ATOM 384 C TRP A 24 36.884 36.501 17.865 1.00 24.68 C ATOM 385 O TRP A 24 37.230 35.628 18.635 1.00 22.18 O ATOM 386 CB TRP A 24 38.918 37.884 17.385 1.00 24.39 C ATOM 387 CG TRP A 24 39.556 37.167 18.535 1.00 26.00 C ATOM 388 CD1 TRP A 24 39.400 37.496 19.838 1.00 27.56 C ATOM 389 CD2 TRP A 24 40.435 36.005 18.509 1.00 24.99 C ATOM 390 NE1 TRP A 24 40.127 36.609 20.613 1.00 24.44 N ATOM 391 CE2 TRP A 24 40.783 35.672 19.839 1.00 27.17 C ATOM 392 CE3 TRP A 24 40.960 35.215 17.470 1.00 27.07 C ATOM 393 CZ2 TRP A 24 41.620 34.593 20.128 1.00 26.88 C ATOM 394 CZ3 TRP A 24 41.803 34.130 17.758 1.00 28.86 C ATOM 395 CH2 TRP A 24 42.131 33.820 19.084 1.00 27.85 C ATOM 0 H TRP A 24 37.151 38.789 15.821 1.00 23.75 H new ATOM 0 HA TRP A 24 38.289 36.132 16.280 1.00 24.21 H new ATOM 0 HB2 TRP A 24 39.670 38.134 16.637 1.00 24.39 H new ATOM 0 HB3 TRP A 24 38.482 38.823 17.726 1.00 24.39 H new ATOM 0 HD1 TRP A 24 38.806 38.316 20.212 1.00 27.56 H new ATOM 0 HE1 TRP A 24 40.173 36.643 21.631 1.00 24.44 H new ATOM 0 HE3 TRP A 24 40.713 35.445 16.444 1.00 27.07 H new ATOM 0 HZ2 TRP A 24 41.870 34.358 21.152 1.00 26.88 H new ATOM 0 HZ3 TRP A 24 42.201 33.531 16.952 1.00 28.86 H new ATOM 0 HH2 TRP A 24 42.779 32.983 19.299 1.00 27.85 H new ATOM 406 N GLU A 25 35.708 37.053 17.968 1.00 21.18 N ATOM 407 CA GLU A 25 34.777 36.605 19.047 1.00 25.10 C ATOM 408 C GLU A 25 34.108 35.275 18.671 1.00 23.53 C ATOM 409 O GLU A 25 33.479 34.651 19.498 1.00 22.15 O ATOM 410 CB GLU A 25 33.703 37.678 19.295 1.00 30.80 C ATOM 411 CG GLU A 25 33.278 38.312 17.966 1.00 38.77 C ATOM 412 CD GLU A 25 31.907 38.975 18.122 1.00 43.31 C ATOM 413 OE1 GLU A 25 30.957 38.266 18.410 1.00 45.94 O ATOM 414 OE2 GLU A 25 31.831 40.181 17.952 1.00 46.36 O ATOM 0 H GLU A 25 35.351 37.789 17.359 1.00 21.18 H new ATOM 0 HA GLU A 25 35.355 36.456 19.959 1.00 25.10 H new ATOM 0 HB2 GLU A 25 32.839 37.232 19.787 1.00 30.80 H new ATOM 0 HB3 GLU A 25 34.091 38.445 19.965 1.00 30.80 H new ATOM 0 HG2 GLU A 25 34.016 39.051 17.653 1.00 38.77 H new ATOM 0 HG3 GLU A 25 33.238 37.551 17.186 1.00 38.77 H new ATOM 421 N LEU A 26 34.212 34.840 17.436 1.00 21.26 N ATOM 422 CA LEU A 26 33.554 33.551 17.039 1.00 20.65 C ATOM 423 C LEU A 26 34.513 32.373 17.188 1.00 20.00 C ATOM 424 O LEU A 26 34.329 31.338 16.578 1.00 16.59 O ATOM 425 CB LEU A 26 33.074 33.637 15.590 1.00 23.25 C ATOM 426 CG LEU A 26 32.292 34.940 15.364 1.00 26.24 C ATOM 427 CD1 LEU A 26 31.498 34.829 14.065 1.00 29.07 C ATOM 428 CD2 LEU A 26 31.313 35.194 16.520 1.00 26.56 C ATOM 0 H LEU A 26 34.720 35.317 16.691 1.00 21.26 H new ATOM 0 HA LEU A 26 32.703 33.389 17.701 1.00 20.65 H new ATOM 0 HB2 LEU A 26 33.928 33.595 14.914 1.00 23.25 H new ATOM 0 HB3 LEU A 26 32.441 32.780 15.358 1.00 23.25 H new ATOM 0 HG LEU A 26 33.001 35.766 15.311 1.00 26.24 H new ATOM 0 HD11 LEU A 26 30.941 35.751 13.899 1.00 29.07 H new ATOM 0 HD12 LEU A 26 32.183 34.664 13.233 1.00 29.07 H new ATOM 0 HD13 LEU A 26 30.803 33.992 14.134 1.00 29.07 H new ATOM 0 HD21 LEU A 26 30.770 36.122 16.340 1.00 26.56 H new ATOM 0 HD22 LEU A 26 30.606 34.367 16.587 1.00 26.56 H new ATOM 0 HD23 LEU A 26 31.867 35.274 17.455 1.00 26.56 H new ATOM 440 N MET A 27 35.508 32.489 18.022 1.00 18.56 N ATOM 441 CA MET A 27 36.417 31.334 18.216 1.00 17.95 C ATOM 442 C MET A 27 35.658 30.194 18.932 1.00 17.26 C ATOM 443 O MET A 27 35.868 29.044 18.598 1.00 15.06 O ATOM 444 CB MET A 27 37.665 31.737 19.021 1.00 20.02 C ATOM 445 CG MET A 27 38.612 32.534 18.129 1.00 18.07 C ATOM 446 SD MET A 27 39.452 31.423 16.970 1.00 11.26 S ATOM 447 CE MET A 27 40.422 30.486 18.179 1.00 20.89 C ATOM 0 H MET A 27 35.727 33.322 18.569 1.00 18.56 H new ATOM 0 HA MET A 27 36.752 30.987 17.238 1.00 17.95 H new ATOM 0 HB2 MET A 27 37.375 32.333 19.886 1.00 20.02 H new ATOM 0 HB3 MET A 27 38.168 30.848 19.401 1.00 20.02 H new ATOM 0 HG2 MET A 27 38.055 33.293 17.579 1.00 18.07 H new ATOM 0 HG3 MET A 27 39.346 33.058 18.741 1.00 18.07 H new ATOM 0 HE1 MET A 27 41.351 30.150 17.718 1.00 20.89 H new ATOM 0 HE2 MET A 27 40.651 31.122 19.034 1.00 20.89 H new ATOM 0 HE3 MET A 27 39.849 29.621 18.514 1.00 20.89 H new ATOM 457 N PRO A 28 34.781 30.512 19.884 1.00 16.29 N ATOM 458 CA PRO A 28 34.012 29.466 20.587 1.00 17.09 C ATOM 459 C PRO A 28 33.150 28.713 19.570 1.00 15.81 C ATOM 460 O PRO A 28 32.796 27.578 19.771 1.00 16.73 O ATOM 461 CB PRO A 28 33.151 30.237 21.619 1.00 16.95 C ATOM 462 CG PRO A 28 33.711 31.678 21.665 1.00 18.75 C ATOM 463 CD PRO A 28 34.478 31.885 20.350 1.00 16.75 C ATOM 0 HA PRO A 28 34.635 28.721 21.082 1.00 17.09 H new ATOM 0 HB2 PRO A 28 32.101 30.237 21.326 1.00 16.95 H new ATOM 0 HB3 PRO A 28 33.208 29.767 22.601 1.00 16.95 H new ATOM 0 HG2 PRO A 28 32.905 32.405 21.764 1.00 18.75 H new ATOM 0 HG3 PRO A 28 34.369 31.812 22.524 1.00 18.75 H new ATOM 0 HD2 PRO A 28 33.878 32.429 19.621 1.00 16.75 H new ATOM 0 HD3 PRO A 28 35.389 32.462 20.507 1.00 16.75 H new ATOM 471 N LEU A 29 32.821 29.338 18.472 1.00 15.35 N ATOM 472 CA LEU A 29 31.997 28.651 17.436 1.00 15.54 C ATOM 473 C LEU A 29 32.924 27.864 16.512 1.00 15.13 C ATOM 474 O LEU A 29 32.760 26.674 16.330 1.00 14.57 O ATOM 475 CB LEU A 29 31.204 29.692 16.644 1.00 15.26 C ATOM 476 CG LEU A 29 30.459 30.611 17.622 1.00 13.96 C ATOM 477 CD1 LEU A 29 29.586 31.588 16.831 1.00 15.02 C ATOM 478 CD2 LEU A 29 29.572 29.765 18.556 1.00 15.96 C ATOM 0 H LEU A 29 33.088 30.296 18.247 1.00 15.35 H new ATOM 0 HA LEU A 29 31.293 27.964 17.906 1.00 15.54 H new ATOM 0 HB2 LEU A 29 31.876 30.278 16.016 1.00 15.26 H new ATOM 0 HB3 LEU A 29 30.495 29.198 15.979 1.00 15.26 H new ATOM 0 HG LEU A 29 31.181 31.167 18.220 1.00 13.96 H new ATOM 0 HD11 LEU A 29 29.055 32.243 17.522 1.00 15.02 H new ATOM 0 HD12 LEU A 29 30.215 32.188 16.174 1.00 15.02 H new ATOM 0 HD13 LEU A 29 28.865 31.030 16.233 1.00 15.02 H new ATOM 0 HD21 LEU A 29 29.045 30.420 19.249 1.00 15.96 H new ATOM 0 HD22 LEU A 29 28.848 29.206 17.963 1.00 15.96 H new ATOM 0 HD23 LEU A 29 30.195 29.069 19.118 1.00 15.96 H new ATOM 490 N MET A 30 33.920 28.497 15.949 1.00 15.06 N ATOM 491 CA MET A 30 34.858 27.744 15.077 1.00 12.45 C ATOM 492 C MET A 30 35.399 26.572 15.889 1.00 12.90 C ATOM 493 O MET A 30 35.653 25.499 15.378 1.00 14.81 O ATOM 494 CB MET A 30 36.025 28.645 14.667 1.00 15.01 C ATOM 495 CG MET A 30 35.539 29.763 13.747 1.00 12.65 C ATOM 496 SD MET A 30 34.926 29.052 12.195 1.00 8.44 S ATOM 497 CE MET A 30 33.194 29.544 12.365 1.00 27.75 C ATOM 0 H MET A 30 34.120 29.491 16.056 1.00 15.06 H new ATOM 0 HA MET A 30 34.345 27.399 14.179 1.00 12.45 H new ATOM 0 HB2 MET A 30 36.491 29.073 15.555 1.00 15.01 H new ATOM 0 HB3 MET A 30 36.788 28.054 14.160 1.00 15.01 H new ATOM 0 HG2 MET A 30 34.748 30.331 14.236 1.00 12.65 H new ATOM 0 HG3 MET A 30 36.352 30.459 13.543 1.00 12.65 H new ATOM 0 HE1 MET A 30 32.645 29.261 11.467 1.00 27.75 H new ATOM 0 HE2 MET A 30 32.757 29.045 13.230 1.00 27.75 H new ATOM 0 HE3 MET A 30 33.134 30.624 12.501 1.00 27.75 H new ATOM 507 N TYR A 31 35.568 26.786 17.165 1.00 13.07 N ATOM 508 CA TYR A 31 36.086 25.710 18.050 1.00 15.35 C ATOM 509 C TYR A 31 35.128 24.512 18.014 1.00 16.32 C ATOM 510 O TYR A 31 35.517 23.401 17.716 1.00 15.86 O ATOM 511 CB TYR A 31 36.188 26.245 19.484 1.00 14.82 C ATOM 512 CG TYR A 31 36.530 25.116 20.429 1.00 17.46 C ATOM 513 CD1 TYR A 31 35.512 24.296 20.932 1.00 20.04 C ATOM 514 CD2 TYR A 31 37.860 24.889 20.803 1.00 19.91 C ATOM 515 CE1 TYR A 31 35.820 23.250 21.805 1.00 21.64 C ATOM 516 CE2 TYR A 31 38.168 23.839 21.674 1.00 22.38 C ATOM 517 CZ TYR A 31 37.149 23.020 22.177 1.00 23.93 C ATOM 518 OH TYR A 31 37.456 21.988 23.040 1.00 30.09 O ATOM 0 H TYR A 31 35.367 27.669 17.634 1.00 13.07 H new ATOM 0 HA TYR A 31 37.071 25.393 17.707 1.00 15.35 H new ATOM 0 HB2 TYR A 31 36.951 27.021 19.539 1.00 14.82 H new ATOM 0 HB3 TYR A 31 35.244 26.705 19.778 1.00 14.82 H new ATOM 0 HD1 TYR A 31 34.486 24.473 20.644 1.00 20.04 H new ATOM 0 HD2 TYR A 31 38.646 25.523 20.420 1.00 19.91 H new ATOM 0 HE1 TYR A 31 35.033 22.620 22.192 1.00 21.64 H new ATOM 0 HE2 TYR A 31 39.194 23.659 21.959 1.00 22.38 H new ATOM 0 HH TYR A 31 38.424 21.967 23.193 1.00 30.09 H new ATOM 528 N VAL A 32 33.881 24.732 18.327 1.00 16.31 N ATOM 529 CA VAL A 32 32.897 23.611 18.326 1.00 13.79 C ATOM 530 C VAL A 32 32.830 22.964 16.940 1.00 15.33 C ATOM 531 O VAL A 32 32.966 21.764 16.805 1.00 15.78 O ATOM 532 CB VAL A 32 31.513 24.149 18.702 1.00 15.68 C ATOM 533 CG1 VAL A 32 30.517 22.992 18.739 1.00 14.40 C ATOM 534 CG2 VAL A 32 31.575 24.816 20.082 1.00 13.96 C ATOM 0 H VAL A 32 33.499 25.642 18.584 1.00 16.31 H new ATOM 0 HA VAL A 32 33.214 22.862 19.052 1.00 13.79 H new ATOM 0 HB VAL A 32 31.195 24.884 17.962 1.00 15.68 H new ATOM 0 HG11 VAL A 32 29.530 23.370 19.006 1.00 14.40 H new ATOM 0 HG12 VAL A 32 30.471 22.520 17.758 1.00 14.40 H new ATOM 0 HG13 VAL A 32 30.838 22.259 19.480 1.00 14.40 H new ATOM 0 HG21 VAL A 32 30.589 25.198 20.346 1.00 13.96 H new ATOM 0 HG22 VAL A 32 31.892 24.085 20.826 1.00 13.96 H new ATOM 0 HG23 VAL A 32 32.288 25.640 20.056 1.00 13.96 H new ATOM 544 N ILE A 33 32.614 23.740 15.911 1.00 13.65 N ATOM 545 CA ILE A 33 32.531 23.162 14.538 1.00 13.17 C ATOM 546 C ILE A 33 33.665 22.141 14.328 1.00 15.24 C ATOM 547 O ILE A 33 33.431 20.993 14.007 1.00 15.62 O ATOM 548 CB ILE A 33 32.629 24.318 13.528 1.00 15.80 C ATOM 549 CG1 ILE A 33 31.288 25.082 13.527 1.00 14.63 C ATOM 550 CG2 ILE A 33 32.918 23.773 12.126 1.00 15.09 C ATOM 551 CD1 ILE A 33 31.416 26.449 12.830 1.00 15.66 C ATOM 0 H ILE A 33 32.491 24.751 15.963 1.00 13.65 H new ATOM 0 HA ILE A 33 31.586 22.636 14.397 1.00 13.17 H new ATOM 0 HB ILE A 33 33.442 24.987 13.811 1.00 15.80 H new ATOM 0 HG12 ILE A 33 30.529 24.485 13.022 1.00 14.63 H new ATOM 0 HG13 ILE A 33 30.950 25.226 14.553 1.00 14.63 H new ATOM 0 HG21 ILE A 33 32.985 24.601 11.420 1.00 15.09 H new ATOM 0 HG22 ILE A 33 33.861 23.227 12.135 1.00 15.09 H new ATOM 0 HG23 ILE A 33 32.114 23.103 11.823 1.00 15.09 H new ATOM 0 HD11 ILE A 33 30.453 26.958 12.848 1.00 15.66 H new ATOM 0 HD12 ILE A 33 32.157 27.055 13.351 1.00 15.66 H new ATOM 0 HD13 ILE A 33 31.729 26.302 11.796 1.00 15.66 H new ATOM 563 N LEU A 34 34.880 22.555 14.523 1.00 16.71 N ATOM 564 CA LEU A 34 36.050 21.634 14.362 1.00 19.71 C ATOM 565 C LEU A 34 35.872 20.411 15.286 1.00 20.61 C ATOM 566 O LEU A 34 36.180 19.295 14.915 1.00 22.08 O ATOM 567 CB LEU A 34 37.323 22.440 14.766 1.00 19.59 C ATOM 568 CG LEU A 34 38.278 22.892 13.581 1.00 26.84 C ATOM 569 CD1 LEU A 34 37.769 22.569 12.169 1.00 24.93 C ATOM 570 CD2 LEU A 34 38.511 24.414 13.660 1.00 27.25 C ATOM 0 H LEU A 34 35.124 23.508 14.792 1.00 16.71 H new ATOM 0 HA LEU A 34 36.135 21.274 13.337 1.00 19.71 H new ATOM 0 HB2 LEU A 34 37.006 23.331 15.308 1.00 19.59 H new ATOM 0 HB3 LEU A 34 37.904 21.834 15.461 1.00 19.59 H new ATOM 0 HG LEU A 34 39.193 22.316 13.724 1.00 26.84 H new ATOM 0 HD11 LEU A 34 38.493 22.918 11.433 1.00 24.93 H new ATOM 0 HD12 LEU A 34 37.638 21.492 12.067 1.00 24.93 H new ATOM 0 HD13 LEU A 34 36.814 23.068 12.004 1.00 24.93 H new ATOM 0 HD21 LEU A 34 39.167 24.724 12.846 1.00 27.25 H new ATOM 0 HD22 LEU A 34 37.556 24.933 13.575 1.00 27.25 H new ATOM 0 HD23 LEU A 34 38.975 24.662 14.615 1.00 27.25 H new ATOM 582 N LYS A 35 35.395 20.613 16.482 1.00 19.14 N ATOM 583 CA LYS A 35 35.217 19.463 17.428 1.00 20.97 C ATOM 584 C LYS A 35 34.382 18.371 16.774 1.00 22.25 C ATOM 585 O LYS A 35 34.526 17.201 17.067 1.00 22.80 O ATOM 586 CB LYS A 35 34.504 19.949 18.697 1.00 22.98 C ATOM 587 CG LYS A 35 34.556 18.853 19.764 1.00 26.83 C ATOM 588 CD LYS A 35 33.739 19.285 20.984 1.00 29.91 C ATOM 589 CE LYS A 35 33.518 18.081 21.902 1.00 33.36 C ATOM 590 NZ LYS A 35 32.884 18.533 23.173 1.00 35.88 N ATOM 0 H LYS A 35 35.119 21.523 16.851 1.00 19.14 H new ATOM 0 HA LYS A 35 36.198 19.062 17.684 1.00 20.97 H new ATOM 0 HB2 LYS A 35 34.980 20.856 19.069 1.00 22.98 H new ATOM 0 HB3 LYS A 35 33.468 20.202 18.471 1.00 22.98 H new ATOM 0 HG2 LYS A 35 34.161 17.920 19.361 1.00 26.83 H new ATOM 0 HG3 LYS A 35 35.589 18.663 20.054 1.00 26.83 H new ATOM 0 HD2 LYS A 35 34.261 20.076 21.523 1.00 29.91 H new ATOM 0 HD3 LYS A 35 32.780 19.695 20.666 1.00 29.91 H new ATOM 0 HE2 LYS A 35 32.883 17.346 21.408 1.00 33.36 H new ATOM 0 HE3 LYS A 35 34.469 17.591 22.112 1.00 33.36 H new ATOM 0 HZ1 LYS A 35 32.734 17.714 23.796 1.00 35.88 H new ATOM 0 HZ2 LYS A 35 33.506 19.219 23.646 1.00 35.88 H new ATOM 0 HZ3 LYS A 35 31.969 18.981 22.964 1.00 35.88 H new ATOM 604 N ASP A 36 33.500 18.746 15.902 1.00 20.87 N ATOM 605 CA ASP A 36 32.633 17.745 15.232 1.00 18.89 C ATOM 606 C ASP A 36 33.323 17.203 13.981 1.00 17.97 C ATOM 607 O ASP A 36 33.298 16.021 13.704 1.00 19.23 O ATOM 608 CB ASP A 36 31.331 18.439 14.853 1.00 16.73 C ATOM 609 CG ASP A 36 30.894 19.331 16.018 1.00 19.06 C ATOM 610 OD1 ASP A 36 30.716 18.806 17.105 1.00 17.75 O ATOM 611 OD2 ASP A 36 30.745 20.522 15.803 1.00 14.84 O ATOM 0 H ASP A 36 33.339 19.713 15.620 1.00 20.87 H new ATOM 0 HA ASP A 36 32.437 16.905 15.899 1.00 18.89 H new ATOM 0 HB2 ASP A 36 31.469 19.036 13.951 1.00 16.73 H new ATOM 0 HB3 ASP A 36 30.560 17.701 14.632 1.00 16.73 H new ATOM 616 N ALA A 37 33.920 18.068 13.215 1.00 19.53 N ATOM 617 CA ALA A 37 34.597 17.628 11.965 1.00 20.29 C ATOM 618 C ALA A 37 35.979 17.064 12.274 1.00 23.93 C ATOM 619 O ALA A 37 36.914 17.249 11.520 1.00 23.82 O ATOM 620 CB ALA A 37 34.740 18.828 11.042 1.00 19.16 C ATOM 0 H ALA A 37 33.969 19.070 13.402 1.00 19.53 H new ATOM 0 HA ALA A 37 34.002 16.848 11.490 1.00 20.29 H new ATOM 0 HB1 ALA A 37 35.235 18.521 10.121 1.00 19.16 H new ATOM 0 HB2 ALA A 37 33.753 19.227 10.808 1.00 19.16 H new ATOM 0 HB3 ALA A 37 35.335 19.597 11.535 1.00 19.16 H new ATOM 626 N ASP A 38 36.128 16.385 13.369 1.00 25.04 N ATOM 627 CA ASP A 38 37.462 15.827 13.698 1.00 29.02 C ATOM 628 C ASP A 38 38.489 16.961 13.661 1.00 30.09 C ATOM 629 O ASP A 38 39.681 16.736 13.651 1.00 29.56 O ATOM 630 CB ASP A 38 37.826 14.752 12.665 1.00 31.78 C ATOM 631 CG ASP A 38 38.871 13.799 13.251 1.00 34.21 C ATOM 632 OD1 ASP A 38 39.553 14.198 14.181 1.00 39.08 O ATOM 633 OD2 ASP A 38 38.971 12.686 12.760 1.00 37.98 O ATOM 0 H ASP A 38 35.391 16.192 14.047 1.00 25.04 H new ATOM 0 HA ASP A 38 37.453 15.377 14.691 1.00 29.02 H new ATOM 0 HB2 ASP A 38 36.934 14.195 12.377 1.00 31.78 H new ATOM 0 HB3 ASP A 38 38.215 15.221 11.761 1.00 31.78 H new ATOM 638 N ALA A 39 38.017 18.178 13.643 1.00 30.33 N ATOM 639 CA ALA A 39 38.926 19.355 13.612 1.00 32.12 C ATOM 640 C ALA A 39 39.521 19.535 12.209 1.00 33.86 C ATOM 641 O ALA A 39 40.376 20.371 11.996 1.00 34.96 O ATOM 642 CB ALA A 39 40.040 19.169 14.646 1.00 32.67 C ATOM 0 H ALA A 39 37.023 18.408 13.649 1.00 30.33 H new ATOM 0 HA ALA A 39 38.358 20.252 13.858 1.00 32.12 H new ATOM 0 HB1 ALA A 39 40.706 20.032 14.623 1.00 32.67 H new ATOM 0 HB2 ALA A 39 39.602 19.075 15.640 1.00 32.67 H new ATOM 0 HB3 ALA A 39 40.606 18.267 14.413 1.00 32.67 H new ATOM 648 N ASN A 40 39.072 18.772 11.245 1.00 33.92 N ATOM 649 CA ASN A 40 39.619 18.929 9.863 1.00 34.20 C ATOM 650 C ASN A 40 38.923 20.115 9.186 1.00 34.98 C ATOM 651 O ASN A 40 37.768 20.039 8.815 1.00 32.10 O ATOM 652 CB ASN A 40 39.367 17.651 9.051 1.00 33.87 C ATOM 653 CG ASN A 40 40.426 16.601 9.393 1.00 32.69 C ATOM 654 OD1 ASN A 40 41.593 16.780 9.103 1.00 34.27 O ATOM 655 ND2 ASN A 40 40.065 15.508 10.001 1.00 33.64 N ATOM 0 H ASN A 40 38.357 18.053 11.353 1.00 33.92 H new ATOM 0 HA ASN A 40 40.693 19.108 9.913 1.00 34.20 H new ATOM 0 HB2 ASN A 40 38.372 17.262 9.268 1.00 33.87 H new ATOM 0 HB3 ASN A 40 39.395 17.875 7.985 1.00 33.87 H new ATOM 0 HD21 ASN A 40 40.762 14.801 10.235 1.00 33.64 H new ATOM 0 HD22 ASN A 40 39.086 15.359 10.244 1.00 33.64 H new ATOM 662 N ILE A 41 39.613 21.211 9.029 1.00 35.49 N ATOM 663 CA ILE A 41 38.988 22.401 8.385 1.00 37.55 C ATOM 664 C ILE A 41 38.339 21.990 7.060 1.00 36.60 C ATOM 665 O ILE A 41 37.174 22.244 6.830 1.00 34.64 O ATOM 666 CB ILE A 41 40.067 23.479 8.145 1.00 39.67 C ATOM 667 CG1 ILE A 41 40.421 24.111 9.513 1.00 42.22 C ATOM 668 CG2 ILE A 41 39.556 24.553 7.137 1.00 40.78 C ATOM 669 CD1 ILE A 41 41.431 25.265 9.370 1.00 44.19 C ATOM 0 H ILE A 41 40.583 21.334 9.319 1.00 35.49 H new ATOM 0 HA ILE A 41 38.217 22.810 9.038 1.00 37.55 H new ATOM 0 HB ILE A 41 40.959 23.033 7.706 1.00 39.67 H new ATOM 0 HG12 ILE A 41 39.512 24.481 9.988 1.00 42.22 H new ATOM 0 HG13 ILE A 41 40.835 23.346 10.170 1.00 42.22 H new ATOM 0 HG21 ILE A 41 40.331 25.304 6.981 1.00 40.78 H new ATOM 0 HG22 ILE A 41 39.317 24.076 6.187 1.00 40.78 H new ATOM 0 HG23 ILE A 41 38.662 25.032 7.537 1.00 40.78 H new ATOM 0 HD11 ILE A 41 41.651 25.680 10.354 1.00 44.19 H new ATOM 0 HD12 ILE A 41 42.350 24.890 8.920 1.00 44.19 H new ATOM 0 HD13 ILE A 41 41.007 26.043 8.735 1.00 44.19 H new ATOM 681 N GLU A 42 39.074 21.367 6.184 1.00 37.01 N ATOM 682 CA GLU A 42 38.479 20.959 4.880 1.00 36.07 C ATOM 683 C GLU A 42 37.144 20.254 5.126 1.00 33.02 C ATOM 684 O GLU A 42 36.197 20.423 4.387 1.00 31.66 O ATOM 685 CB GLU A 42 39.432 20.008 4.154 1.00 40.46 C ATOM 686 CG GLU A 42 40.782 20.696 3.946 1.00 45.44 C ATOM 687 CD GLU A 42 41.765 19.710 3.312 1.00 49.08 C ATOM 688 OE1 GLU A 42 41.364 18.587 3.054 1.00 51.71 O ATOM 689 OE2 GLU A 42 42.903 20.094 3.097 1.00 50.84 O ATOM 0 H GLU A 42 40.056 21.123 6.312 1.00 37.01 H new ATOM 0 HA GLU A 42 38.315 21.844 4.266 1.00 36.07 H new ATOM 0 HB2 GLU A 42 39.563 19.095 4.735 1.00 40.46 H new ATOM 0 HB3 GLU A 42 39.009 19.716 3.193 1.00 40.46 H new ATOM 0 HG2 GLU A 42 40.662 21.569 3.305 1.00 45.44 H new ATOM 0 HG3 GLU A 42 41.172 21.052 4.900 1.00 45.44 H new ATOM 696 N GLU A 43 37.063 19.469 6.163 1.00 29.75 N ATOM 697 CA GLU A 43 35.788 18.757 6.464 1.00 27.99 C ATOM 698 C GLU A 43 34.863 19.689 7.240 1.00 25.26 C ATOM 699 O GLU A 43 33.668 19.708 7.029 1.00 22.77 O ATOM 700 CB GLU A 43 36.084 17.518 7.313 1.00 30.94 C ATOM 701 CG GLU A 43 34.838 16.627 7.385 1.00 33.24 C ATOM 702 CD GLU A 43 34.696 15.836 6.083 1.00 37.98 C ATOM 703 OE1 GLU A 43 35.655 15.188 5.699 1.00 38.40 O ATOM 704 OE2 GLU A 43 33.629 15.890 5.494 1.00 43.17 O ATOM 0 H GLU A 43 37.825 19.289 6.817 1.00 29.75 H new ATOM 0 HA GLU A 43 35.310 18.455 5.532 1.00 27.99 H new ATOM 0 HB2 GLU A 43 36.916 16.961 6.882 1.00 30.94 H new ATOM 0 HB3 GLU A 43 36.387 17.817 8.316 1.00 30.94 H new ATOM 0 HG2 GLU A 43 34.916 15.944 8.231 1.00 33.24 H new ATOM 0 HG3 GLU A 43 33.951 17.238 7.550 1.00 33.24 H new ATOM 711 N ALA A 44 35.405 20.465 8.137 1.00 22.98 N ATOM 712 CA ALA A 44 34.551 21.393 8.924 1.00 23.88 C ATOM 713 C ALA A 44 34.058 22.520 8.009 1.00 22.87 C ATOM 714 O ALA A 44 32.937 22.973 8.115 1.00 22.85 O ATOM 715 CB ALA A 44 35.364 21.950 10.112 1.00 22.28 C ATOM 0 H ALA A 44 36.400 20.496 8.358 1.00 22.98 H new ATOM 0 HA ALA A 44 33.683 20.868 9.321 1.00 23.88 H new ATOM 0 HB1 ALA A 44 34.741 22.631 10.692 1.00 22.28 H new ATOM 0 HB2 ALA A 44 35.690 21.127 10.748 1.00 22.28 H new ATOM 0 HB3 ALA A 44 36.236 22.486 9.737 1.00 22.28 H new ATOM 721 N SER A 45 34.886 22.967 7.110 1.00 25.55 N ATOM 722 CA SER A 45 34.467 24.056 6.185 1.00 26.34 C ATOM 723 C SER A 45 33.266 23.596 5.357 1.00 26.21 C ATOM 724 O SER A 45 32.288 24.303 5.220 1.00 23.95 O ATOM 725 CB SER A 45 35.624 24.392 5.249 1.00 29.82 C ATOM 726 OG SER A 45 35.666 23.440 4.191 1.00 33.07 O ATOM 0 H SER A 45 35.837 22.625 6.975 1.00 25.55 H new ATOM 0 HA SER A 45 34.191 24.937 6.764 1.00 26.34 H new ATOM 0 HB2 SER A 45 35.500 25.397 4.845 1.00 29.82 H new ATOM 0 HB3 SER A 45 36.565 24.384 5.798 1.00 29.82 H new ATOM 0 HG SER A 45 35.921 22.564 4.549 1.00 33.07 H new ATOM 732 N ARG A 46 33.336 22.421 4.795 1.00 26.25 N ATOM 733 CA ARG A 46 32.201 21.927 3.967 1.00 26.19 C ATOM 734 C ARG A 46 30.898 22.050 4.762 1.00 24.78 C ATOM 735 O ARG A 46 29.841 22.259 4.202 1.00 20.51 O ATOM 736 CB ARG A 46 32.446 20.460 3.572 1.00 30.93 C ATOM 737 CG ARG A 46 33.472 20.385 2.421 1.00 37.66 C ATOM 738 CD ARG A 46 33.355 19.043 1.687 1.00 43.41 C ATOM 739 NE ARG A 46 33.869 17.921 2.546 1.00 47.39 N ATOM 740 CZ ARG A 46 35.108 17.873 2.960 1.00 49.82 C ATOM 741 NH1 ARG A 46 35.976 18.766 2.570 1.00 51.10 N ATOM 742 NH2 ARG A 46 35.490 16.900 3.742 1.00 51.02 N ATOM 0 H ARG A 46 34.128 21.783 4.873 1.00 26.25 H new ATOM 0 HA ARG A 46 32.123 22.527 3.060 1.00 26.19 H new ATOM 0 HB2 ARG A 46 32.812 19.900 4.433 1.00 30.93 H new ATOM 0 HB3 ARG A 46 31.509 19.997 3.265 1.00 30.93 H new ATOM 0 HG2 ARG A 46 33.305 21.205 1.722 1.00 37.66 H new ATOM 0 HG3 ARG A 46 34.481 20.504 2.816 1.00 37.66 H new ATOM 0 HD2 ARG A 46 32.314 18.857 1.422 1.00 43.41 H new ATOM 0 HD3 ARG A 46 33.919 19.082 0.755 1.00 43.41 H new ATOM 0 HE ARG A 46 33.230 17.173 2.814 1.00 47.39 H new ATOM 0 HH11 ARG A 46 35.690 19.512 1.935 1.00 51.10 H new ATOM 0 HH12 ARG A 46 36.940 18.718 2.900 1.00 51.10 H new ATOM 0 HH21 ARG A 46 34.823 16.183 4.027 1.00 51.02 H new ATOM 0 HH22 ARG A 46 36.455 16.857 4.068 1.00 51.02 H new ATOM 756 N ARG A 47 30.961 21.940 6.060 1.00 20.40 N ATOM 757 CA ARG A 47 29.717 22.074 6.871 1.00 20.79 C ATOM 758 C ARG A 47 29.314 23.544 6.890 1.00 20.46 C ATOM 759 O ARG A 47 28.239 23.912 6.458 1.00 20.27 O ATOM 760 CB ARG A 47 29.974 21.584 8.296 1.00 18.12 C ATOM 761 CG ARG A 47 30.542 20.164 8.245 1.00 19.83 C ATOM 762 CD ARG A 47 30.779 19.642 9.664 1.00 24.63 C ATOM 763 NE ARG A 47 30.872 18.155 9.623 1.00 25.15 N ATOM 764 CZ ARG A 47 31.306 17.502 10.662 1.00 28.72 C ATOM 765 NH1 ARG A 47 31.605 18.145 11.754 1.00 25.84 N ATOM 766 NH2 ARG A 47 31.434 16.205 10.613 1.00 22.33 N ATOM 0 H ARG A 47 31.813 21.764 6.592 1.00 20.40 H new ATOM 0 HA ARG A 47 28.917 21.474 6.437 1.00 20.79 H new ATOM 0 HB2 ARG A 47 30.673 22.250 8.802 1.00 18.12 H new ATOM 0 HB3 ARG A 47 29.048 21.598 8.871 1.00 18.12 H new ATOM 0 HG2 ARG A 47 29.851 19.506 7.718 1.00 19.83 H new ATOM 0 HG3 ARG A 47 31.478 20.158 7.686 1.00 19.83 H new ATOM 0 HD2 ARG A 47 31.696 20.066 10.073 1.00 24.63 H new ATOM 0 HD3 ARG A 47 29.965 19.951 10.320 1.00 24.63 H new ATOM 0 HE ARG A 47 30.596 17.649 8.781 1.00 25.15 H new ATOM 0 HH11 ARG A 47 31.499 19.159 11.794 1.00 25.84 H new ATOM 0 HH12 ARG A 47 31.945 17.635 12.569 1.00 25.84 H new ATOM 0 HH21 ARG A 47 31.194 15.701 9.760 1.00 22.33 H new ATOM 0 HH22 ARG A 47 31.774 15.695 11.428 1.00 22.33 H new ATOM 780 N ILE A 48 30.187 24.393 7.357 1.00 19.14 N ATOM 781 CA ILE A 48 29.884 25.853 7.371 1.00 21.78 C ATOM 782 C ILE A 48 29.363 26.237 5.997 1.00 25.27 C ATOM 783 O ILE A 48 28.287 26.779 5.847 1.00 23.94 O ATOM 784 CB ILE A 48 31.169 26.614 7.674 1.00 20.97 C ATOM 785 CG1 ILE A 48 31.749 26.052 8.971 1.00 21.08 C ATOM 786 CG2 ILE A 48 30.853 28.104 7.829 1.00 21.08 C ATOM 787 CD1 ILE A 48 32.958 26.877 9.431 1.00 19.82 C ATOM 0 H ILE A 48 31.101 24.138 7.731 1.00 19.14 H new ATOM 0 HA ILE A 48 29.139 26.093 8.129 1.00 21.78 H new ATOM 0 HB ILE A 48 31.891 26.500 6.865 1.00 20.97 H new ATOM 0 HG12 ILE A 48 30.984 26.055 9.748 1.00 21.08 H new ATOM 0 HG13 ILE A 48 32.047 25.014 8.821 1.00 21.08 H new ATOM 0 HG21 ILE A 48 31.771 28.650 8.046 1.00 21.08 H new ATOM 0 HG22 ILE A 48 30.416 28.481 6.904 1.00 21.08 H new ATOM 0 HG23 ILE A 48 30.146 28.243 8.647 1.00 21.08 H new ATOM 0 HD11 ILE A 48 33.354 26.458 10.356 1.00 19.82 H new ATOM 0 HD12 ILE A 48 33.730 26.852 8.662 1.00 19.82 H new ATOM 0 HD13 ILE A 48 32.651 27.909 9.602 1.00 19.82 H new ATOM 799 N GLU A 49 30.121 25.925 4.992 1.00 26.87 N ATOM 800 CA GLU A 49 29.699 26.230 3.598 1.00 31.21 C ATOM 801 C GLU A 49 28.245 25.831 3.404 1.00 31.88 C ATOM 802 O GLU A 49 27.388 26.652 3.143 1.00 31.73 O ATOM 803 CB GLU A 49 30.521 25.371 2.655 1.00 32.85 C ATOM 804 CG GLU A 49 31.928 25.947 2.487 1.00 36.76 C ATOM 805 CD GLU A 49 32.614 25.279 1.294 1.00 40.40 C ATOM 806 OE1 GLU A 49 31.974 25.152 0.263 1.00 40.28 O ATOM 807 OE2 GLU A 49 33.767 24.905 1.432 1.00 43.41 O ATOM 0 H GLU A 49 31.028 25.465 5.075 1.00 26.87 H new ATOM 0 HA GLU A 49 29.834 27.294 3.405 1.00 31.21 H new ATOM 0 HB2 GLU A 49 30.583 24.354 3.042 1.00 32.85 H new ATOM 0 HB3 GLU A 49 30.028 25.313 1.685 1.00 32.85 H new ATOM 0 HG2 GLU A 49 31.875 27.025 2.333 1.00 36.76 H new ATOM 0 HG3 GLU A 49 32.510 25.783 3.394 1.00 36.76 H new ATOM 814 N GLU A 50 27.965 24.561 3.546 1.00 32.05 N ATOM 815 CA GLU A 50 26.569 24.089 3.389 1.00 30.33 C ATOM 816 C GLU A 50 25.716 24.986 4.255 1.00 29.99 C ATOM 817 O GLU A 50 24.688 25.448 3.859 1.00 26.76 O ATOM 818 CB GLU A 50 26.475 22.622 3.857 1.00 33.38 C ATOM 819 CG GLU A 50 25.322 21.905 3.143 1.00 33.45 C ATOM 820 CD GLU A 50 25.351 20.418 3.498 1.00 36.89 C ATOM 821 OE1 GLU A 50 25.101 20.098 4.648 1.00 36.13 O ATOM 822 OE2 GLU A 50 25.624 19.623 2.613 1.00 35.55 O ATOM 0 H GLU A 50 28.647 23.835 3.764 1.00 32.05 H new ATOM 0 HA GLU A 50 26.235 24.130 2.352 1.00 30.33 H new ATOM 0 HB2 GLU A 50 27.414 22.108 3.652 1.00 33.38 H new ATOM 0 HB3 GLU A 50 26.321 22.587 4.936 1.00 33.38 H new ATOM 0 HG2 GLU A 50 24.368 22.342 3.439 1.00 33.45 H new ATOM 0 HG3 GLU A 50 25.411 22.034 2.064 1.00 33.45 H new ATOM 829 N GLY A 51 26.199 25.269 5.419 1.00 0.00 N ATOM 830 CA GLY A 51 25.476 26.167 6.352 1.00 0.00 C ATOM 831 C GLY A 51 25.244 27.536 5.692 1.00 0.00 C ATOM 832 O GLY A 51 24.133 27.993 5.528 1.00 0.00 O ATOM 0 H GLY A 51 27.085 24.910 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 51 24.521 25.722 6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 51 26.051 26.290 7.270 1.00 0.00 H new ATOM 836 N GLN A 52 26.304 28.204 5.321 1.00 29.60 N ATOM 837 CA GLN A 52 26.158 29.546 4.676 1.00 32.81 C ATOM 838 C GLN A 52 25.145 29.419 3.554 1.00 33.63 C ATOM 839 O GLN A 52 24.201 30.176 3.446 1.00 32.37 O ATOM 840 CB GLN A 52 27.498 29.985 4.075 1.00 32.81 C ATOM 841 CG GLN A 52 28.622 29.878 5.122 1.00 34.44 C ATOM 842 CD GLN A 52 28.785 31.200 5.877 1.00 35.84 C ATOM 843 OE1 GLN A 52 27.823 31.899 6.124 1.00 36.29 O ATOM 844 NE2 GLN A 52 29.978 31.568 6.254 1.00 38.34 N ATOM 0 H GLN A 52 27.265 27.881 5.436 1.00 29.60 H new ATOM 0 HA GLN A 52 25.837 30.279 5.416 1.00 32.81 H new ATOM 0 HB2 GLN A 52 27.737 29.363 3.212 1.00 32.81 H new ATOM 0 HB3 GLN A 52 27.423 31.012 3.717 1.00 32.81 H new ATOM 0 HG2 GLN A 52 28.395 29.077 5.826 1.00 34.44 H new ATOM 0 HG3 GLN A 52 29.559 29.616 4.631 1.00 34.44 H new ATOM 0 HE21 GLN A 52 30.784 30.978 6.045 1.00 38.34 H new ATOM 0 HE22 GLN A 52 30.106 32.445 6.758 1.00 38.34 H new ATOM 853 N TYR A 53 25.342 28.440 2.731 1.00 34.79 N ATOM 854 CA TYR A 53 24.409 28.202 1.608 1.00 37.88 C ATOM 855 C TYR A 53 23.058 27.809 2.194 1.00 39.97 C ATOM 856 O TYR A 53 22.028 28.326 1.828 1.00 39.08 O ATOM 857 CB TYR A 53 24.958 27.053 0.748 1.00 39.97 C ATOM 858 CG TYR A 53 23.844 26.433 -0.064 1.00 42.20 C ATOM 859 CD1 TYR A 53 23.008 25.476 0.516 1.00 42.61 C ATOM 860 CD2 TYR A 53 23.649 26.823 -1.383 1.00 42.58 C ATOM 861 CE1 TYR A 53 21.975 24.907 -0.227 1.00 45.45 C ATOM 862 CE2 TYR A 53 22.613 26.256 -2.137 1.00 44.68 C ATOM 863 CZ TYR A 53 21.774 25.296 -1.557 1.00 45.19 C ATOM 864 OH TYR A 53 20.752 24.734 -2.295 1.00 49.10 O ATOM 0 H TYR A 53 26.121 27.784 2.789 1.00 34.79 H new ATOM 0 HA TYR A 53 24.302 29.094 0.991 1.00 37.88 H new ATOM 0 HB2 TYR A 53 25.738 27.426 0.084 1.00 39.97 H new ATOM 0 HB3 TYR A 53 25.417 26.298 1.386 1.00 39.97 H new ATOM 0 HD1 TYR A 53 23.162 25.176 1.542 1.00 42.61 H new ATOM 0 HD2 TYR A 53 24.297 27.564 -1.828 1.00 42.58 H new ATOM 0 HE1 TYR A 53 21.330 24.167 0.223 1.00 45.45 H new ATOM 0 HE2 TYR A 53 22.462 26.558 -3.163 1.00 44.68 H new ATOM 0 HH TYR A 53 20.190 24.184 -1.710 1.00 49.10 H new ATOM 874 N VAL A 54 23.076 26.888 3.104 1.00 39.04 N ATOM 875 CA VAL A 54 21.822 26.415 3.742 1.00 40.51 C ATOM 876 C VAL A 54 21.014 27.635 4.193 1.00 40.89 C ATOM 877 O VAL A 54 19.924 27.888 3.720 1.00 40.52 O ATOM 878 CB VAL A 54 22.248 25.559 4.939 1.00 40.89 C ATOM 879 CG1 VAL A 54 21.175 25.504 5.998 1.00 41.12 C ATOM 880 CG2 VAL A 54 22.642 24.119 4.505 1.00 40.75 C ATOM 0 H VAL A 54 23.924 26.432 3.442 1.00 39.04 H new ATOM 0 HA VAL A 54 21.198 25.832 3.065 1.00 40.51 H new ATOM 0 HB VAL A 54 23.127 26.041 5.367 1.00 40.89 H new ATOM 0 HG11 VAL A 54 21.516 24.887 6.830 1.00 41.12 H new ATOM 0 HG12 VAL A 54 20.965 26.512 6.356 1.00 41.12 H new ATOM 0 HG13 VAL A 54 20.268 25.073 5.575 1.00 41.12 H new ATOM 0 HG21 VAL A 54 22.938 23.543 5.382 1.00 40.75 H new ATOM 0 HG22 VAL A 54 21.790 23.638 4.025 1.00 40.75 H new ATOM 0 HG23 VAL A 54 23.475 24.166 3.803 1.00 40.75 H new ATOM 890 N VAL A 55 21.559 28.393 5.098 1.00 40.66 N ATOM 891 CA VAL A 55 20.855 29.606 5.588 1.00 41.79 C ATOM 892 C VAL A 55 20.530 30.505 4.393 1.00 43.19 C ATOM 893 O VAL A 55 19.391 30.854 4.157 1.00 42.93 O ATOM 894 CB VAL A 55 21.774 30.343 6.572 1.00 40.93 C ATOM 895 CG1 VAL A 55 21.046 31.542 7.185 1.00 40.61 C ATOM 896 CG2 VAL A 55 22.186 29.377 7.686 1.00 41.17 C ATOM 0 H VAL A 55 22.470 28.223 5.523 1.00 40.66 H new ATOM 0 HA VAL A 55 19.928 29.335 6.094 1.00 41.79 H new ATOM 0 HB VAL A 55 22.655 30.702 6.039 1.00 40.93 H new ATOM 0 HG11 VAL A 55 21.711 32.054 7.881 1.00 40.61 H new ATOM 0 HG12 VAL A 55 20.748 32.230 6.394 1.00 40.61 H new ATOM 0 HG13 VAL A 55 20.160 31.196 7.718 1.00 40.61 H new ATOM 0 HG21 VAL A 55 22.839 29.892 8.391 1.00 41.17 H new ATOM 0 HG22 VAL A 55 21.297 29.023 8.208 1.00 41.17 H new ATOM 0 HG23 VAL A 55 22.715 28.528 7.254 1.00 41.17 H new ATOM 906 N ASN A 56 21.523 30.877 3.632 1.00 43.65 N ATOM 907 CA ASN A 56 21.267 31.745 2.450 1.00 46.57 C ATOM 908 C ASN A 56 20.201 31.090 1.569 1.00 47.19 C ATOM 909 O ASN A 56 19.414 31.759 0.928 1.00 46.87 O ATOM 910 CB ASN A 56 22.561 31.914 1.648 1.00 46.25 C ATOM 911 CG ASN A 56 23.629 32.564 2.529 1.00 46.74 C ATOM 912 OD1 ASN A 56 23.333 33.066 3.595 1.00 46.94 O ATOM 913 ND2 ASN A 56 24.870 32.576 2.124 1.00 47.06 N ATOM 0 H ASN A 56 22.499 30.617 3.778 1.00 43.65 H new ATOM 0 HA ASN A 56 20.919 32.723 2.782 1.00 46.57 H new ATOM 0 HB2 ASN A 56 22.909 30.944 1.292 1.00 46.25 H new ATOM 0 HB3 ASN A 56 22.377 32.530 0.767 1.00 46.25 H new ATOM 0 HD21 ASN A 56 25.591 33.007 2.703 1.00 47.06 H new ATOM 0 HD22 ASN A 56 25.118 32.155 1.229 1.00 47.06 H new ATOM 920 N GLU A 57 20.166 29.785 1.536 1.00 49.43 N ATOM 921 CA GLU A 57 19.149 29.087 0.703 1.00 51.03 C ATOM 922 C GLU A 57 17.779 29.249 1.355 1.00 51.99 C ATOM 923 O GLU A 57 16.822 29.641 0.719 1.00 52.02 O ATOM 924 CB GLU A 57 19.492 27.600 0.595 1.00 52.77 C ATOM 925 CG GLU A 57 18.592 26.941 -0.449 1.00 54.20 C ATOM 926 CD GLU A 57 18.716 25.420 -0.347 1.00 56.33 C ATOM 927 OE1 GLU A 57 18.998 24.939 0.738 1.00 57.66 O ATOM 928 OE2 GLU A 57 18.528 24.761 -1.357 1.00 57.76 O ATOM 0 H GLU A 57 20.799 29.173 2.051 1.00 49.43 H new ATOM 0 HA GLU A 57 19.138 29.520 -0.297 1.00 51.03 H new ATOM 0 HB2 GLU A 57 20.539 27.477 0.317 1.00 52.77 H new ATOM 0 HB3 GLU A 57 19.360 27.115 1.562 1.00 52.77 H new ATOM 0 HG2 GLU A 57 17.556 27.243 -0.293 1.00 54.20 H new ATOM 0 HG3 GLU A 57 18.874 27.273 -1.448 1.00 54.20 H new ATOM 935 N TYR A 58 17.676 28.965 2.628 1.00 53.12 N ATOM 936 CA TYR A 58 16.365 29.124 3.317 1.00 54.13 C ATOM 937 C TYR A 58 15.829 30.512 3.006 1.00 54.38 C ATOM 938 O TYR A 58 14.639 30.740 2.927 1.00 55.12 O ATOM 939 CB TYR A 58 16.557 28.973 4.827 1.00 54.54 C ATOM 940 CG TYR A 58 15.215 28.869 5.497 1.00 55.20 C ATOM 941 CD1 TYR A 58 14.598 27.623 5.600 1.00 55.36 C ATOM 942 CD2 TYR A 58 14.591 30.010 6.018 1.00 55.64 C ATOM 943 CE1 TYR A 58 13.357 27.508 6.226 1.00 55.93 C ATOM 944 CE2 TYR A 58 13.345 29.896 6.646 1.00 56.15 C ATOM 945 CZ TYR A 58 12.728 28.643 6.751 1.00 56.20 C ATOM 946 OH TYR A 58 11.499 28.528 7.369 1.00 58.01 O ATOM 0 H TYR A 58 18.440 28.632 3.216 1.00 53.12 H new ATOM 0 HA TYR A 58 15.664 28.364 2.973 1.00 54.13 H new ATOM 0 HB2 TYR A 58 17.152 28.085 5.041 1.00 54.54 H new ATOM 0 HB3 TYR A 58 17.107 29.828 5.221 1.00 54.54 H new ATOM 0 HD1 TYR A 58 15.081 26.746 5.195 1.00 55.36 H new ATOM 0 HD2 TYR A 58 15.070 30.975 5.935 1.00 55.64 H new ATOM 0 HE1 TYR A 58 12.881 26.542 6.306 1.00 55.93 H new ATOM 0 HE2 TYR A 58 12.860 30.773 7.049 1.00 56.15 H new ATOM 0 HH TYR A 58 11.204 29.410 7.678 1.00 58.01 H new ATOM 1151 N ASP B 7 12.919 23.066 9.266 1.00 55.77 N ATOM 1152 CA ASP B 7 12.442 24.240 10.055 1.00 53.95 C ATOM 1153 C ASP B 7 12.837 24.073 11.524 1.00 52.49 C ATOM 1154 O ASP B 7 13.501 24.918 12.090 1.00 51.89 O ATOM 1155 CB ASP B 7 10.917 24.343 9.943 1.00 54.63 C ATOM 1156 CG ASP B 7 10.463 25.746 10.352 1.00 55.27 C ATOM 1157 OD1 ASP B 7 10.861 26.188 11.417 1.00 55.55 O ATOM 1158 OD2 ASP B 7 9.726 26.353 9.594 1.00 56.33 O ATOM 0 HA ASP B 7 12.900 25.148 9.662 1.00 53.95 H new ATOM 0 HB2 ASP B 7 10.603 24.132 8.921 1.00 54.63 H new ATOM 0 HB3 ASP B 7 10.445 23.597 10.582 1.00 54.63 H new ATOM 1163 N VAL B 8 12.455 22.982 12.146 1.00 50.38 N ATOM 1164 CA VAL B 8 12.846 22.774 13.578 1.00 48.45 C ATOM 1165 C VAL B 8 14.346 23.038 13.683 1.00 46.36 C ATOM 1166 O VAL B 8 14.823 23.712 14.574 1.00 44.84 O ATOM 1167 CB VAL B 8 12.566 21.319 14.029 1.00 48.63 C ATOM 1168 CG1 VAL B 8 11.182 21.222 14.666 1.00 48.83 C ATOM 1169 CG2 VAL B 8 12.672 20.358 12.836 1.00 47.55 C ATOM 0 H VAL B 8 11.897 22.236 11.731 1.00 50.38 H new ATOM 0 HA VAL B 8 12.268 23.445 14.214 1.00 48.45 H new ATOM 0 HB VAL B 8 13.313 21.034 14.770 1.00 48.63 H new ATOM 0 HG11 VAL B 8 10.997 20.194 14.979 1.00 48.83 H new ATOM 0 HG12 VAL B 8 11.134 21.880 15.534 1.00 48.83 H new ATOM 0 HG13 VAL B 8 10.426 21.522 13.941 1.00 48.83 H new ATOM 0 HG21 VAL B 8 12.472 19.340 13.170 1.00 47.55 H new ATOM 0 HG22 VAL B 8 11.943 20.640 12.076 1.00 47.55 H new ATOM 0 HG23 VAL B 8 13.676 20.411 12.414 1.00 47.55 H new ATOM 1179 N PHE B 9 15.084 22.502 12.758 1.00 44.57 N ATOM 1180 CA PHE B 9 16.550 22.704 12.764 1.00 42.68 C ATOM 1181 C PHE B 9 16.834 24.202 12.832 1.00 41.92 C ATOM 1182 O PHE B 9 17.423 24.692 13.775 1.00 40.56 O ATOM 1183 CB PHE B 9 17.156 22.112 11.480 1.00 41.99 C ATOM 1184 CG PHE B 9 18.600 21.790 11.731 1.00 41.32 C ATOM 1185 CD1 PHE B 9 19.555 22.805 11.655 1.00 41.38 C ATOM 1186 CD2 PHE B 9 18.982 20.485 12.052 1.00 41.88 C ATOM 1187 CE1 PHE B 9 20.893 22.516 11.898 1.00 39.40 C ATOM 1188 CE2 PHE B 9 20.322 20.199 12.295 1.00 39.39 C ATOM 1189 CZ PHE B 9 21.276 21.218 12.218 1.00 40.84 C ATOM 0 H PHE B 9 14.730 21.928 11.993 1.00 44.57 H new ATOM 0 HA PHE B 9 16.995 22.205 13.625 1.00 42.68 H new ATOM 0 HB2 PHE B 9 16.614 21.213 11.187 1.00 41.99 H new ATOM 0 HB3 PHE B 9 17.065 22.822 10.658 1.00 41.99 H new ATOM 0 HD1 PHE B 9 19.255 23.813 11.408 1.00 41.38 H new ATOM 0 HD2 PHE B 9 18.241 19.702 12.111 1.00 41.88 H new ATOM 0 HE1 PHE B 9 21.634 23.299 11.838 1.00 39.40 H new ATOM 0 HE2 PHE B 9 20.624 19.192 12.543 1.00 39.39 H new ATOM 0 HZ PHE B 9 22.316 20.996 12.408 1.00 40.84 H new ATOM 1199 N LEU B 10 16.401 24.934 11.846 1.00 41.09 N ATOM 1200 CA LEU B 10 16.629 26.402 11.867 1.00 41.50 C ATOM 1201 C LEU B 10 15.975 26.966 13.123 1.00 41.09 C ATOM 1202 O LEU B 10 16.469 27.896 13.730 1.00 38.55 O ATOM 1203 CB LEU B 10 16.014 27.040 10.623 1.00 42.71 C ATOM 1204 CG LEU B 10 16.487 26.288 9.374 1.00 43.61 C ATOM 1205 CD1 LEU B 10 16.003 27.024 8.134 1.00 44.50 C ATOM 1206 CD2 LEU B 10 18.017 26.218 9.345 1.00 43.61 C ATOM 0 H LEU B 10 15.901 24.581 11.030 1.00 41.09 H new ATOM 0 HA LEU B 10 17.697 26.619 11.872 1.00 41.50 H new ATOM 0 HB2 LEU B 10 14.926 27.012 10.687 1.00 42.71 H new ATOM 0 HB3 LEU B 10 16.302 28.089 10.559 1.00 42.71 H new ATOM 0 HG LEU B 10 16.082 25.276 9.395 1.00 43.61 H new ATOM 0 HD11 LEU B 10 16.337 26.493 7.242 1.00 44.50 H new ATOM 0 HD12 LEU B 10 14.914 27.072 8.141 1.00 44.50 H new ATOM 0 HD13 LEU B 10 16.411 28.035 8.128 1.00 44.50 H new ATOM 0 HD21 LEU B 10 18.340 25.681 8.453 1.00 43.61 H new ATOM 0 HD22 LEU B 10 18.427 27.228 9.329 1.00 43.61 H new ATOM 0 HD23 LEU B 10 18.374 25.695 10.232 1.00 43.61 H new ATOM 1218 N ASP B 11 14.876 26.392 13.535 1.00 41.28 N ATOM 1219 CA ASP B 11 14.212 26.884 14.772 1.00 41.44 C ATOM 1220 C ASP B 11 15.215 26.765 15.917 1.00 39.86 C ATOM 1221 O ASP B 11 15.598 27.751 16.514 1.00 37.26 O ATOM 1222 CB ASP B 11 12.962 26.043 15.073 1.00 44.23 C ATOM 1223 CG ASP B 11 12.025 26.826 15.997 1.00 46.87 C ATOM 1224 OD1 ASP B 11 11.793 27.992 15.724 1.00 48.41 O ATOM 1225 OD2 ASP B 11 11.556 26.245 16.962 1.00 49.31 O ATOM 0 H ASP B 11 14.414 25.610 13.071 1.00 41.28 H new ATOM 0 HA ASP B 11 13.898 27.920 14.648 1.00 41.44 H new ATOM 0 HB2 ASP B 11 12.448 25.793 14.145 1.00 44.23 H new ATOM 0 HB3 ASP B 11 13.249 25.102 15.542 1.00 44.23 H new ATOM 1230 N TYR B 12 15.680 25.569 16.212 1.00 39.23 N ATOM 1231 CA TYR B 12 16.691 25.428 17.302 1.00 38.08 C ATOM 1232 C TYR B 12 17.794 26.434 17.038 1.00 34.01 C ATOM 1233 O TYR B 12 18.166 27.219 17.888 1.00 32.49 O ATOM 1234 CB TYR B 12 17.338 24.041 17.293 1.00 42.28 C ATOM 1235 CG TYR B 12 16.328 22.919 17.447 1.00 47.31 C ATOM 1236 CD1 TYR B 12 15.229 23.021 18.322 1.00 49.49 C ATOM 1237 CD2 TYR B 12 16.522 21.745 16.715 1.00 48.65 C ATOM 1238 CE1 TYR B 12 14.340 21.946 18.449 1.00 50.83 C ATOM 1239 CE2 TYR B 12 15.640 20.682 16.842 1.00 51.34 C ATOM 1240 CZ TYR B 12 14.546 20.775 17.710 1.00 50.67 C ATOM 1241 OH TYR B 12 13.671 19.716 17.835 1.00 52.32 O ATOM 0 H TYR B 12 15.406 24.701 15.751 1.00 39.23 H new ATOM 0 HA TYR B 12 16.193 25.584 18.259 1.00 38.08 H new ATOM 0 HB2 TYR B 12 17.884 23.906 16.359 1.00 42.28 H new ATOM 0 HB3 TYR B 12 18.067 23.980 18.101 1.00 42.28 H new ATOM 0 HD1 TYR B 12 15.072 23.924 18.893 1.00 49.49 H new ATOM 0 HD2 TYR B 12 17.365 21.664 16.045 1.00 48.65 H new ATOM 0 HE1 TYR B 12 13.495 22.021 19.118 1.00 50.83 H new ATOM 0 HE2 TYR B 12 15.798 19.780 16.269 1.00 51.34 H new ATOM 0 HH TYR B 12 13.959 18.983 17.252 1.00 52.32 H new ATOM 1251 N CYS B 13 18.304 26.415 15.841 1.00 32.32 N ATOM 1252 CA CYS B 13 19.374 27.363 15.461 1.00 29.00 C ATOM 1253 C CYS B 13 18.978 28.759 15.943 1.00 29.81 C ATOM 1254 O CYS B 13 19.704 29.402 16.666 1.00 24.62 O ATOM 1255 CB CYS B 13 19.522 27.331 13.933 1.00 28.41 C ATOM 1256 SG CYS B 13 21.235 27.663 13.469 1.00 23.95 S ATOM 0 H CYS B 13 18.018 25.772 15.102 1.00 32.32 H new ATOM 0 HA CYS B 13 20.327 27.093 15.916 1.00 29.00 H new ATOM 0 HB2 CYS B 13 19.216 26.357 13.550 1.00 28.41 H new ATOM 0 HB3 CYS B 13 18.864 28.073 13.480 1.00 28.41 H new ATOM 0 HG CYS B 13 21.262 28.294 12.333 1.00 23.95 H new ATOM 1262 N GLN B 14 17.814 29.213 15.565 1.00 29.76 N ATOM 1263 CA GLN B 14 17.353 30.556 16.012 1.00 32.34 C ATOM 1264 C GLN B 14 17.349 30.609 17.544 1.00 33.14 C ATOM 1265 O GLN B 14 17.675 31.615 18.137 1.00 33.29 O ATOM 1266 CB GLN B 14 15.943 30.813 15.471 1.00 34.56 C ATOM 1267 CG GLN B 14 15.623 32.311 15.519 1.00 39.08 C ATOM 1268 CD GLN B 14 15.303 32.724 16.957 1.00 41.02 C ATOM 1269 OE1 GLN B 14 14.256 32.396 17.477 1.00 42.67 O ATOM 1270 NE2 GLN B 14 16.169 33.435 17.626 1.00 42.20 N ATOM 0 H GLN B 14 17.162 28.709 14.964 1.00 29.76 H new ATOM 0 HA GLN B 14 18.026 31.324 15.632 1.00 32.34 H new ATOM 0 HB2 GLN B 14 15.867 30.450 14.446 1.00 34.56 H new ATOM 0 HB3 GLN B 14 15.213 30.259 16.060 1.00 34.56 H new ATOM 0 HG2 GLN B 14 16.470 32.886 15.145 1.00 39.08 H new ATOM 0 HG3 GLN B 14 14.776 32.533 14.870 1.00 39.08 H new ATOM 0 HE21 GLN B 14 17.049 33.711 17.189 1.00 42.20 H new ATOM 0 HE22 GLN B 14 15.966 33.715 18.586 1.00 42.20 H new ATOM 1279 N LYS B 15 17.004 29.534 18.198 1.00 31.48 N ATOM 1280 CA LYS B 15 17.025 29.559 19.687 1.00 31.70 C ATOM 1281 C LYS B 15 18.493 29.611 20.113 1.00 30.74 C ATOM 1282 O LYS B 15 18.922 30.517 20.794 1.00 30.57 O ATOM 1283 CB LYS B 15 16.361 28.290 20.251 1.00 35.91 C ATOM 1284 CG LYS B 15 14.851 28.481 20.415 1.00 40.53 C ATOM 1285 CD LYS B 15 14.169 28.423 19.048 1.00 42.80 C ATOM 1286 CE LYS B 15 12.651 28.428 19.229 1.00 45.27 C ATOM 1287 NZ LYS B 15 12.189 29.811 19.534 1.00 48.21 N ATOM 0 H LYS B 15 16.713 28.653 17.774 1.00 31.48 H new ATOM 0 HA LYS B 15 16.476 30.421 20.066 1.00 31.70 H new ATOM 0 HB2 LYS B 15 16.554 27.449 19.585 1.00 35.91 H new ATOM 0 HB3 LYS B 15 16.806 28.042 21.215 1.00 35.91 H new ATOM 0 HG2 LYS B 15 14.446 27.707 21.067 1.00 40.53 H new ATOM 0 HG3 LYS B 15 14.646 29.439 20.893 1.00 40.53 H new ATOM 0 HD2 LYS B 15 14.475 29.275 18.442 1.00 42.80 H new ATOM 0 HD3 LYS B 15 14.478 27.524 18.514 1.00 42.80 H new ATOM 0 HE2 LYS B 15 12.165 28.063 18.324 1.00 45.27 H new ATOM 0 HE3 LYS B 15 12.369 27.753 20.037 1.00 45.27 H new ATOM 0 HZ1 LYS B 15 11.156 29.813 19.657 1.00 48.21 H new ATOM 0 HZ2 LYS B 15 12.642 30.143 20.409 1.00 48.21 H new ATOM 0 HZ3 LYS B 15 12.445 30.444 18.749 1.00 48.21 H new ATOM 1301 N LEU B 16 19.283 28.658 19.690 1.00 26.59 N ATOM 1302 CA LEU B 16 20.729 28.681 20.052 1.00 27.03 C ATOM 1303 C LEU B 16 21.262 30.079 19.738 1.00 24.17 C ATOM 1304 O LEU B 16 22.074 30.637 20.449 1.00 23.26 O ATOM 1305 CB LEU B 16 21.472 27.619 19.220 1.00 28.15 C ATOM 1306 CG LEU B 16 22.737 27.137 19.955 1.00 28.00 C ATOM 1307 CD1 LEU B 16 22.363 26.443 21.278 1.00 30.50 C ATOM 1308 CD2 LEU B 16 23.503 26.156 19.047 1.00 26.29 C ATOM 0 H LEU B 16 18.990 27.870 19.113 1.00 26.59 H new ATOM 0 HA LEU B 16 20.877 28.457 21.108 1.00 27.03 H new ATOM 0 HB2 LEU B 16 20.812 26.773 19.029 1.00 28.15 H new ATOM 0 HB3 LEU B 16 21.745 28.035 18.251 1.00 28.15 H new ATOM 0 HG LEU B 16 23.366 27.997 20.185 1.00 28.00 H new ATOM 0 HD11 LEU B 16 23.270 26.109 21.783 1.00 30.50 H new ATOM 0 HD12 LEU B 16 21.828 27.144 21.918 1.00 30.50 H new ATOM 0 HD13 LEU B 16 21.726 25.583 21.070 1.00 30.50 H new ATOM 0 HD21 LEU B 16 24.400 25.810 19.560 1.00 26.29 H new ATOM 0 HD22 LEU B 16 22.866 25.303 18.814 1.00 26.29 H new ATOM 0 HD23 LEU B 16 23.785 26.660 18.123 1.00 26.29 H new ATOM 1320 N LEU B 17 20.760 30.648 18.684 1.00 23.83 N ATOM 1321 CA LEU B 17 21.159 32.025 18.292 1.00 25.91 C ATOM 1322 C LEU B 17 20.642 32.991 19.363 1.00 28.74 C ATOM 1323 O LEU B 17 21.297 33.947 19.730 1.00 29.35 O ATOM 1324 CB LEU B 17 20.500 32.351 16.943 1.00 23.53 C ATOM 1325 CG LEU B 17 21.217 33.534 16.242 1.00 23.31 C ATOM 1326 CD1 LEU B 17 22.359 33.023 15.326 1.00 16.92 C ATOM 1327 CD2 LEU B 17 20.203 34.327 15.394 1.00 19.75 C ATOM 0 H LEU B 17 20.077 30.210 18.065 1.00 23.83 H new ATOM 0 HA LEU B 17 22.242 32.113 18.203 1.00 25.91 H new ATOM 0 HB2 LEU B 17 20.528 31.472 16.299 1.00 23.53 H new ATOM 0 HB3 LEU B 17 19.450 32.599 17.098 1.00 23.53 H new ATOM 0 HG LEU B 17 21.645 34.178 17.010 1.00 23.31 H new ATOM 0 HD11 LEU B 17 22.847 33.871 14.845 1.00 16.92 H new ATOM 0 HD12 LEU B 17 23.088 32.476 15.924 1.00 16.92 H new ATOM 0 HD13 LEU B 17 21.946 32.362 14.564 1.00 16.92 H new ATOM 0 HD21 LEU B 17 20.710 35.157 14.903 1.00 19.75 H new ATOM 0 HD22 LEU B 17 19.767 33.671 14.640 1.00 19.75 H new ATOM 0 HD23 LEU B 17 19.414 34.714 16.038 1.00 19.75 H new ATOM 1339 N GLU B 18 19.459 32.737 19.861 1.00 30.66 N ATOM 1340 CA GLU B 18 18.868 33.620 20.907 1.00 33.61 C ATOM 1341 C GLU B 18 19.484 33.268 22.270 1.00 34.68 C ATOM 1342 O GLU B 18 19.849 34.135 23.039 1.00 34.80 O ATOM 1343 CB GLU B 18 17.322 33.443 20.899 1.00 35.91 C ATOM 1344 CG GLU B 18 16.823 32.550 22.050 1.00 37.64 C ATOM 1345 CD GLU B 18 15.317 32.327 21.900 1.00 40.24 C ATOM 1346 OE1 GLU B 18 14.888 32.038 20.795 1.00 40.39 O ATOM 1347 OE2 GLU B 18 14.619 32.450 22.893 1.00 40.89 O ATOM 0 H GLU B 18 18.874 31.949 19.584 1.00 30.66 H new ATOM 0 HA GLU B 18 19.088 34.668 20.705 1.00 33.61 H new ATOM 0 HB2 GLU B 18 16.847 34.422 20.971 1.00 35.91 H new ATOM 0 HB3 GLU B 18 17.014 33.009 19.948 1.00 35.91 H new ATOM 0 HG2 GLU B 18 17.347 31.594 22.037 1.00 37.64 H new ATOM 0 HG3 GLU B 18 17.039 33.019 23.010 1.00 37.64 H new ATOM 1354 N LYS B 19 19.610 32.003 22.566 1.00 34.95 N ATOM 1355 CA LYS B 19 20.209 31.595 23.866 1.00 36.04 C ATOM 1356 C LYS B 19 21.526 32.343 24.068 1.00 35.87 C ATOM 1357 O LYS B 19 21.758 32.960 25.088 1.00 36.90 O ATOM 1358 CB LYS B 19 20.461 30.094 23.854 1.00 36.58 C ATOM 1359 CG LYS B 19 20.532 29.588 25.297 1.00 39.52 C ATOM 1360 CD LYS B 19 21.147 28.210 25.291 1.00 41.12 C ATOM 1361 CE LYS B 19 21.070 27.595 26.689 1.00 43.76 C ATOM 1362 NZ LYS B 19 21.865 28.422 27.640 1.00 45.38 N ATOM 0 H LYS B 19 19.323 31.234 21.961 1.00 34.95 H new ATOM 0 HA LYS B 19 19.528 31.837 24.682 1.00 36.04 H new ATOM 0 HB2 LYS B 19 19.663 29.583 23.315 1.00 36.58 H new ATOM 0 HB3 LYS B 19 21.392 29.873 23.331 1.00 36.58 H new ATOM 0 HG2 LYS B 19 21.128 30.266 25.907 1.00 39.52 H new ATOM 0 HG3 LYS B 19 19.535 29.556 25.737 1.00 39.52 H new ATOM 0 HD2 LYS B 19 20.626 27.574 24.576 1.00 41.12 H new ATOM 0 HD3 LYS B 19 22.186 28.268 24.967 1.00 41.12 H new ATOM 0 HE2 LYS B 19 20.032 27.541 27.017 1.00 43.76 H new ATOM 0 HE3 LYS B 19 21.452 26.574 26.671 1.00 43.76 H new ATOM 0 HZ1 LYS B 19 21.998 27.898 28.529 1.00 45.38 H new ATOM 0 HZ2 LYS B 19 22.793 28.636 27.222 1.00 45.38 H new ATOM 0 HZ3 LYS B 19 21.360 29.310 27.834 1.00 45.38 H new ATOM 1376 N PHE B 20 22.386 32.293 23.089 1.00 35.16 N ATOM 1377 CA PHE B 20 23.690 32.997 23.188 1.00 34.19 C ATOM 1378 C PHE B 20 23.529 34.407 22.621 1.00 34.42 C ATOM 1379 O PHE B 20 24.451 35.199 22.616 1.00 33.94 O ATOM 1380 CB PHE B 20 24.716 32.226 22.364 1.00 34.18 C ATOM 1381 CG PHE B 20 25.125 30.978 23.103 1.00 32.04 C ATOM 1382 CD1 PHE B 20 24.369 29.808 22.966 1.00 31.71 C ATOM 1383 CD2 PHE B 20 26.253 30.991 23.929 1.00 34.13 C ATOM 1384 CE1 PHE B 20 24.742 28.651 23.655 1.00 31.01 C ATOM 1385 CE2 PHE B 20 26.625 29.835 24.621 1.00 33.69 C ATOM 1386 CZ PHE B 20 25.870 28.664 24.483 1.00 32.95 C ATOM 0 H PHE B 20 22.237 31.788 22.216 1.00 35.16 H new ATOM 0 HA PHE B 20 24.019 33.057 24.225 1.00 34.19 H new ATOM 0 HB2 PHE B 20 24.295 31.964 21.393 1.00 34.18 H new ATOM 0 HB3 PHE B 20 25.589 32.851 22.175 1.00 34.18 H new ATOM 0 HD1 PHE B 20 23.498 29.800 22.328 1.00 31.71 H new ATOM 0 HD2 PHE B 20 26.837 31.894 24.032 1.00 34.13 H new ATOM 0 HE1 PHE B 20 24.160 27.747 23.549 1.00 31.01 H new ATOM 0 HE2 PHE B 20 27.494 29.845 25.262 1.00 33.69 H new ATOM 0 HZ PHE B 20 26.158 27.770 25.016 1.00 32.95 H new ATOM 1396 N ARG B 21 22.354 34.719 22.145 1.00 33.90 N ATOM 1397 CA ARG B 21 22.095 36.073 21.575 1.00 35.50 C ATOM 1398 C ARG B 21 23.088 36.370 20.448 1.00 34.22 C ATOM 1399 O ARG B 21 23.523 37.491 20.279 1.00 33.41 O ATOM 1400 CB ARG B 21 22.238 37.137 22.673 1.00 38.56 C ATOM 1401 CG ARG B 21 21.328 36.801 23.867 1.00 42.96 C ATOM 1402 CD ARG B 21 19.894 37.267 23.590 1.00 46.75 C ATOM 1403 NE ARG B 21 19.891 38.728 23.296 1.00 50.46 N ATOM 1404 CZ ARG B 21 18.845 39.280 22.746 1.00 51.88 C ATOM 1405 NH1 ARG B 21 17.801 38.554 22.454 1.00 54.10 N ATOM 1406 NH2 ARG B 21 18.843 40.560 22.488 1.00 54.21 N ATOM 0 H ARG B 21 21.554 34.087 22.126 1.00 33.90 H new ATOM 0 HA ARG B 21 21.081 36.096 21.175 1.00 35.50 H new ATOM 0 HB2 ARG B 21 23.276 37.192 23.002 1.00 38.56 H new ATOM 0 HB3 ARG B 21 21.978 38.118 22.274 1.00 38.56 H new ATOM 0 HG2 ARG B 21 21.339 35.727 24.051 1.00 42.96 H new ATOM 0 HG3 ARG B 21 21.707 37.283 24.769 1.00 42.96 H new ATOM 0 HD2 ARG B 21 19.478 36.715 22.747 1.00 46.75 H new ATOM 0 HD3 ARG B 21 19.260 37.058 24.452 1.00 46.75 H new ATOM 0 HE ARG B 21 20.707 39.296 23.525 1.00 50.46 H new ATOM 0 HH11 ARG B 21 17.802 37.554 22.656 1.00 54.10 H new ATOM 0 HH12 ARG B 21 16.983 38.986 22.024 1.00 54.10 H new ATOM 0 HH21 ARG B 21 19.659 41.128 22.717 1.00 54.21 H new ATOM 0 HH22 ARG B 21 18.025 40.992 22.058 1.00 54.21 H new ATOM 1420 N TYR B 22 23.452 35.384 19.670 1.00 31.03 N ATOM 1421 CA TYR B 22 24.410 35.640 18.562 1.00 30.00 C ATOM 1422 C TYR B 22 23.700 36.481 17.467 1.00 28.60 C ATOM 1423 O TYR B 22 22.502 36.360 17.304 1.00 27.38 O ATOM 1424 CB TYR B 22 24.838 34.292 17.964 1.00 26.97 C ATOM 1425 CG TYR B 22 25.950 33.652 18.788 1.00 28.47 C ATOM 1426 CD1 TYR B 22 27.173 34.317 18.994 1.00 28.83 C ATOM 1427 CD2 TYR B 22 25.752 32.383 19.352 1.00 26.95 C ATOM 1428 CE1 TYR B 22 28.180 33.714 19.758 1.00 27.02 C ATOM 1429 CE2 TYR B 22 26.762 31.783 20.113 1.00 26.27 C ATOM 1430 CZ TYR B 22 27.974 32.450 20.317 1.00 26.46 C ATOM 1431 OH TYR B 22 28.968 31.858 21.070 1.00 23.82 O ATOM 0 H TYR B 22 23.128 34.420 19.755 1.00 31.03 H new ATOM 0 HA TYR B 22 25.282 36.179 18.932 1.00 30.00 H new ATOM 0 HB2 TYR B 22 23.980 33.621 17.922 1.00 26.97 H new ATOM 0 HB3 TYR B 22 25.179 34.438 16.939 1.00 26.97 H new ATOM 0 HD1 TYR B 22 27.335 35.294 18.562 1.00 28.83 H new ATOM 0 HD2 TYR B 22 24.816 31.867 19.198 1.00 26.95 H new ATOM 0 HE1 TYR B 22 29.117 34.227 19.915 1.00 27.02 H new ATOM 0 HE2 TYR B 22 26.605 30.805 20.543 1.00 26.27 H new ATOM 0 HH TYR B 22 28.563 31.277 21.747 1.00 23.82 H new ATOM 1441 N PRO B 23 24.444 37.292 16.728 1.00 29.13 N ATOM 1442 CA PRO B 23 23.857 38.111 15.643 1.00 28.62 C ATOM 1443 C PRO B 23 23.121 37.210 14.634 1.00 28.74 C ATOM 1444 O PRO B 23 23.127 36.003 14.749 1.00 26.54 O ATOM 1445 CB PRO B 23 25.061 38.825 14.982 1.00 29.12 C ATOM 1446 CG PRO B 23 26.341 38.389 15.749 1.00 29.87 C ATOM 1447 CD PRO B 23 25.900 37.465 16.905 1.00 29.51 C ATOM 0 HA PRO B 23 23.122 38.826 16.012 1.00 28.62 H new ATOM 0 HB2 PRO B 23 25.135 38.556 13.928 1.00 29.12 H new ATOM 0 HB3 PRO B 23 24.937 39.907 15.027 1.00 29.12 H new ATOM 0 HG2 PRO B 23 27.028 37.867 15.082 1.00 29.87 H new ATOM 0 HG3 PRO B 23 26.871 39.259 16.135 1.00 29.87 H new ATOM 0 HD2 PRO B 23 26.418 36.507 16.863 1.00 29.51 H new ATOM 0 HD3 PRO B 23 26.129 37.909 17.874 1.00 29.51 H new ATOM 1455 N TRP B 24 22.481 37.798 13.655 1.00 24.77 N ATOM 1456 CA TRP B 24 21.734 36.986 12.643 1.00 26.20 C ATOM 1457 C TRP B 24 22.683 36.411 11.587 1.00 24.23 C ATOM 1458 O TRP B 24 22.319 35.523 10.843 1.00 20.77 O ATOM 1459 CB TRP B 24 20.684 37.861 11.953 1.00 28.27 C ATOM 1460 CG TRP B 24 19.968 37.055 10.913 1.00 30.88 C ATOM 1461 CD1 TRP B 24 20.007 37.297 9.582 1.00 31.38 C ATOM 1462 CD2 TRP B 24 19.112 35.886 11.090 1.00 29.00 C ATOM 1463 NE1 TRP B 24 19.233 36.352 8.932 1.00 31.09 N ATOM 1464 CE2 TRP B 24 18.659 35.462 9.818 1.00 31.07 C ATOM 1465 CE3 TRP B 24 18.687 35.161 12.218 1.00 30.12 C ATOM 1466 CZ2 TRP B 24 17.818 34.358 9.671 1.00 31.07 C ATOM 1467 CZ3 TRP B 24 17.841 34.049 12.074 1.00 31.73 C ATOM 1468 CH2 TRP B 24 17.407 33.650 10.803 1.00 30.51 C ATOM 0 H TRP B 24 22.443 38.807 13.512 1.00 24.77 H new ATOM 0 HA TRP B 24 21.250 36.159 13.163 1.00 26.20 H new ATOM 0 HB2 TRP B 24 19.973 38.242 12.687 1.00 28.27 H new ATOM 0 HB3 TRP B 24 21.161 38.726 11.493 1.00 28.27 H new ATOM 0 HD1 TRP B 24 20.553 38.097 9.105 1.00 31.38 H new ATOM 0 HE1 TRP B 24 19.102 36.317 7.921 1.00 31.09 H new ATOM 0 HE3 TRP B 24 19.014 35.462 13.202 1.00 30.12 H new ATOM 0 HZ2 TRP B 24 17.487 34.053 8.689 1.00 31.07 H new ATOM 0 HZ3 TRP B 24 17.523 33.499 12.947 1.00 31.73 H new ATOM 0 HH2 TRP B 24 16.755 32.795 10.698 1.00 30.51 H new ATOM 1479 N GLU B 25 23.886 36.905 11.497 1.00 21.71 N ATOM 1480 CA GLU B 25 24.823 36.371 10.464 1.00 23.69 C ATOM 1481 C GLU B 25 25.435 35.045 10.937 1.00 22.17 C ATOM 1482 O GLU B 25 26.052 34.343 10.164 1.00 20.98 O ATOM 1483 CB GLU B 25 25.936 37.395 10.186 1.00 29.06 C ATOM 1484 CG GLU B 25 26.294 38.133 11.477 1.00 37.12 C ATOM 1485 CD GLU B 25 27.646 38.832 11.312 1.00 42.03 C ATOM 1486 OE1 GLU B 25 28.637 38.136 11.170 1.00 44.52 O ATOM 1487 OE2 GLU B 25 27.665 40.052 11.330 1.00 44.49 O ATOM 0 H GLU B 25 24.260 37.648 12.087 1.00 21.71 H new ATOM 0 HA GLU B 25 24.267 36.192 9.544 1.00 23.69 H new ATOM 0 HB2 GLU B 25 26.816 36.890 9.789 1.00 29.06 H new ATOM 0 HB3 GLU B 25 25.607 38.107 9.428 1.00 29.06 H new ATOM 0 HG2 GLU B 25 25.522 38.865 11.715 1.00 37.12 H new ATOM 0 HG3 GLU B 25 26.336 37.431 12.310 1.00 37.12 H new ATOM 1494 N LEU B 26 25.296 34.701 12.198 1.00 18.07 N ATOM 1495 CA LEU B 26 25.897 33.419 12.696 1.00 16.50 C ATOM 1496 C LEU B 26 24.888 32.277 12.625 1.00 16.77 C ATOM 1497 O LEU B 26 25.034 31.276 13.297 1.00 16.07 O ATOM 1498 CB LEU B 26 26.361 33.583 14.142 1.00 18.60 C ATOM 1499 CG LEU B 26 27.184 34.870 14.300 1.00 21.90 C ATOM 1500 CD1 LEU B 26 27.979 34.798 15.603 1.00 24.06 C ATOM 1501 CD2 LEU B 26 28.167 35.037 13.132 1.00 25.09 C ATOM 0 H LEU B 26 24.796 35.248 12.899 1.00 18.07 H new ATOM 0 HA LEU B 26 26.748 33.180 12.058 1.00 16.50 H new ATOM 0 HB2 LEU B 26 25.497 33.613 14.806 1.00 18.60 H new ATOM 0 HB3 LEU B 26 26.961 32.722 14.438 1.00 18.60 H new ATOM 0 HG LEU B 26 26.501 35.719 14.312 1.00 21.90 H new ATOM 0 HD11 LEU B 26 28.566 35.709 15.722 1.00 24.06 H new ATOM 0 HD12 LEU B 26 27.292 34.697 16.443 1.00 24.06 H new ATOM 0 HD13 LEU B 26 28.647 33.937 15.575 1.00 24.06 H new ATOM 0 HD21 LEU B 26 28.739 35.955 13.266 1.00 25.09 H new ATOM 0 HD22 LEU B 26 28.848 34.186 13.105 1.00 25.09 H new ATOM 0 HD23 LEU B 26 27.613 35.088 12.195 1.00 25.09 H new ATOM 1513 N MET B 27 23.886 32.384 11.797 1.00 15.51 N ATOM 1514 CA MET B 27 22.928 31.258 11.694 1.00 15.51 C ATOM 1515 C MET B 27 23.644 30.035 11.079 1.00 15.79 C ATOM 1516 O MET B 27 23.412 28.929 11.525 1.00 14.86 O ATOM 1517 CB MET B 27 21.694 31.652 10.861 1.00 16.03 C ATOM 1518 CG MET B 27 20.725 32.454 11.727 1.00 14.48 C ATOM 1519 SD MET B 27 19.932 31.367 12.942 1.00 11.00 S ATOM 1520 CE MET B 27 18.989 30.343 11.784 1.00 16.96 C ATOM 0 H MET B 27 23.694 33.188 11.199 1.00 15.51 H new ATOM 0 HA MET B 27 22.574 31.001 12.692 1.00 15.51 H new ATOM 0 HB2 MET B 27 21.999 32.242 9.997 1.00 16.03 H new ATOM 0 HB3 MET B 27 21.201 30.758 10.478 1.00 16.03 H new ATOM 0 HG2 MET B 27 21.259 33.255 12.238 1.00 14.48 H new ATOM 0 HG3 MET B 27 19.968 32.925 11.100 1.00 14.48 H new ATOM 0 HE1 MET B 27 18.059 30.024 12.254 1.00 16.96 H new ATOM 0 HE2 MET B 27 18.763 30.921 10.888 1.00 16.96 H new ATOM 0 HE3 MET B 27 19.577 29.466 11.512 1.00 16.96 H new ATOM 1530 N PRO B 28 24.521 30.238 10.097 1.00 15.25 N ATOM 1531 CA PRO B 28 25.261 29.111 9.496 1.00 16.18 C ATOM 1532 C PRO B 28 26.102 28.427 10.581 1.00 15.53 C ATOM 1533 O PRO B 28 26.338 27.244 10.536 1.00 16.52 O ATOM 1534 CB PRO B 28 26.145 29.762 8.403 1.00 16.78 C ATOM 1535 CG PRO B 28 25.610 31.199 8.209 1.00 19.84 C ATOM 1536 CD PRO B 28 24.848 31.553 9.495 1.00 17.18 C ATOM 0 HA PRO B 28 24.617 28.342 9.070 1.00 16.18 H new ATOM 0 HB2 PRO B 28 27.192 29.775 8.707 1.00 16.78 H new ATOM 0 HB3 PRO B 28 26.090 29.198 7.472 1.00 16.78 H new ATOM 0 HG2 PRO B 28 26.428 31.898 8.037 1.00 19.84 H new ATOM 0 HG3 PRO B 28 24.954 31.256 7.340 1.00 19.84 H new ATOM 0 HD2 PRO B 28 25.458 32.158 10.166 1.00 17.18 H new ATOM 0 HD3 PRO B 28 23.947 32.127 9.279 1.00 17.18 H new ATOM 1544 N LEU B 29 26.544 29.164 11.566 1.00 13.35 N ATOM 1545 CA LEU B 29 27.352 28.540 12.653 1.00 12.43 C ATOM 1546 C LEU B 29 26.408 27.849 13.634 1.00 12.94 C ATOM 1547 O LEU B 29 26.526 26.666 13.888 1.00 13.87 O ATOM 1548 CB LEU B 29 28.168 29.616 13.376 1.00 15.82 C ATOM 1549 CG LEU B 29 28.909 30.474 12.343 1.00 12.60 C ATOM 1550 CD1 LEU B 29 29.852 31.438 13.068 1.00 13.73 C ATOM 1551 CD2 LEU B 29 29.719 29.565 11.402 1.00 13.81 C ATOM 0 H LEU B 29 26.381 30.166 11.664 1.00 13.35 H new ATOM 0 HA LEU B 29 28.040 27.808 12.230 1.00 12.43 H new ATOM 0 HB2 LEU B 29 27.511 30.241 13.980 1.00 15.82 H new ATOM 0 HB3 LEU B 29 28.881 29.151 14.057 1.00 15.82 H new ATOM 0 HG LEU B 29 28.188 31.044 11.757 1.00 12.60 H new ATOM 0 HD11 LEU B 29 30.380 32.049 12.336 1.00 13.73 H new ATOM 0 HD12 LEU B 29 29.274 32.083 13.730 1.00 13.73 H new ATOM 0 HD13 LEU B 29 30.574 30.869 13.654 1.00 13.73 H new ATOM 0 HD21 LEU B 29 30.245 30.177 10.669 1.00 13.81 H new ATOM 0 HD22 LEU B 29 30.442 28.993 11.983 1.00 13.81 H new ATOM 0 HD23 LEU B 29 29.044 28.881 10.887 1.00 13.81 H new ATOM 1563 N MET B 30 25.450 28.560 14.168 1.00 13.14 N ATOM 1564 CA MET B 30 24.491 27.913 15.101 1.00 14.92 C ATOM 1565 C MET B 30 23.909 26.691 14.393 1.00 15.06 C ATOM 1566 O MET B 30 23.508 25.723 15.008 1.00 14.78 O ATOM 1567 CB MET B 30 23.354 28.888 15.429 1.00 14.70 C ATOM 1568 CG MET B 30 23.837 30.015 16.341 1.00 10.57 C ATOM 1569 SD MET B 30 24.432 29.342 17.915 1.00 7.09 S ATOM 1570 CE MET B 30 26.188 29.707 17.684 1.00 13.40 C ATOM 0 H MET B 30 25.293 29.553 13.998 1.00 13.14 H new ATOM 0 HA MET B 30 24.994 27.627 16.025 1.00 14.92 H new ATOM 0 HB2 MET B 30 22.955 29.309 14.506 1.00 14.70 H new ATOM 0 HB3 MET B 30 22.538 28.350 15.912 1.00 14.70 H new ATOM 0 HG2 MET B 30 24.636 30.571 15.851 1.00 10.57 H new ATOM 0 HG3 MET B 30 23.024 30.718 16.523 1.00 10.57 H new ATOM 0 HE1 MET B 30 26.730 29.483 18.603 1.00 13.40 H new ATOM 0 HE2 MET B 30 26.583 29.097 16.871 1.00 13.40 H new ATOM 0 HE3 MET B 30 26.311 30.762 17.439 1.00 13.40 H new ATOM 1580 N TYR B 31 23.865 26.746 13.090 1.00 13.82 N ATOM 1581 CA TYR B 31 23.316 25.611 12.298 1.00 14.24 C ATOM 1582 C TYR B 31 24.251 24.397 12.397 1.00 15.20 C ATOM 1583 O TYR B 31 23.843 23.319 12.780 1.00 15.23 O ATOM 1584 CB TYR B 31 23.188 26.043 10.833 1.00 15.18 C ATOM 1585 CG TYR B 31 22.802 24.858 9.983 1.00 19.70 C ATOM 1586 CD1 TYR B 31 23.791 23.983 9.519 1.00 21.03 C ATOM 1587 CD2 TYR B 31 21.459 24.634 9.658 1.00 22.09 C ATOM 1588 CE1 TYR B 31 23.441 22.885 8.732 1.00 22.51 C ATOM 1589 CE2 TYR B 31 21.108 23.533 8.872 1.00 25.56 C ATOM 1590 CZ TYR B 31 22.098 22.657 8.407 1.00 25.00 C ATOM 1591 OH TYR B 31 21.751 21.572 7.630 1.00 30.46 O ATOM 0 H TYR B 31 24.190 27.538 12.535 1.00 13.82 H new ATOM 0 HA TYR B 31 22.338 25.334 12.691 1.00 14.24 H new ATOM 0 HB2 TYR B 31 22.438 26.829 10.740 1.00 15.18 H new ATOM 0 HB3 TYR B 31 24.132 26.461 10.484 1.00 15.18 H new ATOM 0 HD1 TYR B 31 24.827 24.158 9.770 1.00 21.03 H new ATOM 0 HD2 TYR B 31 20.696 25.310 10.014 1.00 22.09 H new ATOM 0 HE1 TYR B 31 24.205 22.211 8.374 1.00 22.51 H new ATOM 0 HE2 TYR B 31 20.072 23.357 8.623 1.00 25.56 H new ATOM 0 HH TYR B 31 20.780 21.560 7.500 1.00 30.46 H new ATOM 1601 N VAL B 32 25.496 24.561 12.042 1.00 14.03 N ATOM 1602 CA VAL B 32 26.450 23.414 12.101 1.00 12.14 C ATOM 1603 C VAL B 32 26.513 22.858 13.523 1.00 12.91 C ATOM 1604 O VAL B 32 26.360 21.672 13.740 1.00 14.47 O ATOM 1605 CB VAL B 32 27.843 23.885 11.673 1.00 12.64 C ATOM 1606 CG1 VAL B 32 28.804 22.701 11.690 1.00 12.95 C ATOM 1607 CG2 VAL B 32 27.774 24.465 10.257 1.00 14.27 C ATOM 0 H VAL B 32 25.895 25.440 11.713 1.00 14.03 H new ATOM 0 HA VAL B 32 26.106 22.629 11.427 1.00 12.14 H new ATOM 0 HB VAL B 32 28.196 24.652 12.362 1.00 12.64 H new ATOM 0 HG11 VAL B 32 29.796 23.034 11.386 1.00 12.95 H new ATOM 0 HG12 VAL B 32 28.853 22.287 12.697 1.00 12.95 H new ATOM 0 HG13 VAL B 32 28.450 21.935 10.999 1.00 12.95 H new ATOM 0 HG21 VAL B 32 28.765 24.800 9.952 1.00 14.27 H new ATOM 0 HG22 VAL B 32 27.422 23.698 9.567 1.00 14.27 H new ATOM 0 HG23 VAL B 32 27.085 25.310 10.243 1.00 14.27 H new ATOM 1617 N ILE B 33 26.738 23.704 14.490 1.00 13.72 N ATOM 1618 CA ILE B 33 26.814 23.239 15.904 1.00 9.81 C ATOM 1619 C ILE B 33 25.682 22.236 16.189 1.00 12.06 C ATOM 1620 O ILE B 33 25.913 21.136 16.651 1.00 13.15 O ATOM 1621 CB ILE B 33 26.703 24.481 16.800 1.00 11.56 C ATOM 1622 CG1 ILE B 33 28.040 25.243 16.723 1.00 12.90 C ATOM 1623 CG2 ILE B 33 26.409 24.082 18.249 1.00 12.06 C ATOM 1624 CD1 ILE B 33 27.929 26.634 17.362 1.00 11.54 C ATOM 0 H ILE B 33 26.874 24.707 14.360 1.00 13.72 H new ATOM 0 HA ILE B 33 27.755 22.725 16.101 1.00 9.81 H new ATOM 0 HB ILE B 33 25.883 25.111 16.457 1.00 11.56 H new ATOM 0 HG12 ILE B 33 28.817 24.670 17.229 1.00 12.90 H new ATOM 0 HG13 ILE B 33 28.344 25.343 15.681 1.00 12.90 H new ATOM 0 HG21 ILE B 33 26.335 24.978 18.865 1.00 12.06 H new ATOM 0 HG22 ILE B 33 25.468 23.533 18.292 1.00 12.06 H new ATOM 0 HG23 ILE B 33 27.215 23.450 18.623 1.00 12.06 H new ATOM 0 HD11 ILE B 33 28.889 27.145 17.291 1.00 11.54 H new ATOM 0 HD12 ILE B 33 27.169 27.215 16.839 1.00 11.54 H new ATOM 0 HD13 ILE B 33 27.649 26.531 18.411 1.00 11.54 H new ATOM 1636 N LEU B 34 24.474 22.606 15.894 1.00 13.55 N ATOM 1637 CA LEU B 34 23.307 21.695 16.110 1.00 16.27 C ATOM 1638 C LEU B 34 23.496 20.419 15.262 1.00 18.00 C ATOM 1639 O LEU B 34 23.239 19.321 15.715 1.00 20.35 O ATOM 1640 CB LEU B 34 22.032 22.471 15.653 1.00 15.33 C ATOM 1641 CG LEU B 34 21.061 22.969 16.804 1.00 18.88 C ATOM 1642 CD1 LEU B 34 21.573 22.749 18.235 1.00 18.63 C ATOM 1643 CD2 LEU B 34 20.784 24.474 16.625 1.00 18.04 C ATOM 0 H LEU B 34 24.234 23.518 15.504 1.00 13.55 H new ATOM 0 HA LEU B 34 23.216 21.399 17.155 1.00 16.27 H new ATOM 0 HB2 LEU B 34 22.349 23.338 15.074 1.00 15.33 H new ATOM 0 HB3 LEU B 34 21.464 21.829 14.980 1.00 15.33 H new ATOM 0 HG LEU B 34 20.163 22.360 16.699 1.00 18.88 H new ATOM 0 HD11 LEU B 34 20.837 23.123 18.946 1.00 18.63 H new ATOM 0 HD12 LEU B 34 21.733 21.684 18.405 1.00 18.63 H new ATOM 0 HD13 LEU B 34 22.513 23.283 18.371 1.00 18.63 H new ATOM 0 HD21 LEU B 34 20.117 24.818 17.415 1.00 18.04 H new ATOM 0 HD22 LEU B 34 21.723 25.025 16.677 1.00 18.04 H new ATOM 0 HD23 LEU B 34 20.316 24.645 15.655 1.00 18.04 H new ATOM 1655 N LYS B 35 23.927 20.559 14.041 1.00 16.90 N ATOM 1656 CA LYS B 35 24.117 19.359 13.164 1.00 19.51 C ATOM 1657 C LYS B 35 24.960 18.317 13.886 1.00 18.97 C ATOM 1658 O LYS B 35 24.826 17.129 13.669 1.00 18.29 O ATOM 1659 CB LYS B 35 24.837 19.775 11.875 1.00 23.32 C ATOM 1660 CG LYS B 35 24.753 18.640 10.852 1.00 27.46 C ATOM 1661 CD LYS B 35 25.354 19.104 9.523 1.00 30.03 C ATOM 1662 CE LYS B 35 24.999 18.102 8.424 1.00 33.24 C ATOM 1663 NZ LYS B 35 25.535 16.758 8.783 1.00 34.14 N ATOM 0 H LYS B 35 24.158 21.452 13.606 1.00 16.90 H new ATOM 0 HA LYS B 35 23.141 18.937 12.925 1.00 19.51 H new ATOM 0 HB2 LYS B 35 24.384 20.679 11.469 1.00 23.32 H new ATOM 0 HB3 LYS B 35 25.880 20.010 12.088 1.00 23.32 H new ATOM 0 HG2 LYS B 35 25.289 17.765 11.220 1.00 27.46 H new ATOM 0 HG3 LYS B 35 23.715 18.341 10.709 1.00 27.46 H new ATOM 0 HD2 LYS B 35 24.973 20.092 9.265 1.00 30.03 H new ATOM 0 HD3 LYS B 35 26.437 19.193 9.613 1.00 30.03 H new ATOM 0 HE2 LYS B 35 23.917 18.052 8.299 1.00 33.24 H new ATOM 0 HE3 LYS B 35 25.416 18.429 7.471 1.00 33.24 H new ATOM 0 HZ1 LYS B 35 25.554 16.155 7.936 1.00 34.14 H new ATOM 0 HZ2 LYS B 35 26.499 16.858 9.159 1.00 34.14 H new ATOM 0 HZ3 LYS B 35 24.925 16.323 9.504 1.00 34.14 H new ATOM 1677 N ASP B 36 25.842 18.758 14.725 1.00 17.40 N ATOM 1678 CA ASP B 36 26.724 17.816 15.457 1.00 17.99 C ATOM 1679 C ASP B 36 26.052 17.348 16.747 1.00 20.53 C ATOM 1680 O ASP B 36 26.090 16.186 17.097 1.00 21.50 O ATOM 1681 CB ASP B 36 28.014 18.554 15.781 1.00 17.75 C ATOM 1682 CG ASP B 36 28.501 19.262 14.515 1.00 19.30 C ATOM 1683 OD1 ASP B 36 28.660 18.591 13.508 1.00 18.21 O ATOM 1684 OD2 ASP B 36 28.708 20.463 14.573 1.00 17.31 O ATOM 0 H ASP B 36 25.993 19.744 14.939 1.00 17.40 H new ATOM 0 HA ASP B 36 26.925 16.935 14.847 1.00 17.99 H new ATOM 0 HB2 ASP B 36 27.846 19.278 16.579 1.00 17.75 H new ATOM 0 HB3 ASP B 36 28.770 17.855 16.139 1.00 17.75 H new ATOM 1689 N ALA B 37 25.459 18.255 17.466 1.00 17.76 N ATOM 1690 CA ALA B 37 24.804 17.889 18.750 1.00 20.31 C ATOM 1691 C ALA B 37 23.429 17.279 18.500 1.00 21.98 C ATOM 1692 O ALA B 37 22.501 17.501 19.251 1.00 20.93 O ATOM 1693 CB ALA B 37 24.648 19.149 19.588 1.00 16.79 C ATOM 0 H ALA B 37 25.399 19.243 17.218 1.00 17.76 H new ATOM 0 HA ALA B 37 25.419 17.154 19.269 1.00 20.31 H new ATOM 0 HB1 ALA B 37 24.169 18.899 20.535 1.00 16.79 H new ATOM 0 HB2 ALA B 37 25.630 19.581 19.781 1.00 16.79 H new ATOM 0 HB3 ALA B 37 24.034 19.870 19.049 1.00 16.79 H new ATOM 1699 N ASP B 38 23.278 16.522 17.458 1.00 22.08 N ATOM 1700 CA ASP B 38 21.948 15.926 17.192 1.00 24.70 C ATOM 1701 C ASP B 38 20.915 17.052 17.130 1.00 27.43 C ATOM 1702 O ASP B 38 19.723 16.825 17.175 1.00 26.89 O ATOM 1703 CB ASP B 38 21.595 14.953 18.325 1.00 26.17 C ATOM 1704 CG ASP B 38 20.532 13.960 17.846 1.00 26.41 C ATOM 1705 OD1 ASP B 38 20.652 13.489 16.727 1.00 29.79 O ATOM 1706 OD2 ASP B 38 19.618 13.688 18.606 1.00 30.65 O ATOM 0 H ASP B 38 24.009 16.291 16.785 1.00 22.08 H new ATOM 0 HA ASP B 38 21.956 15.383 16.247 1.00 24.70 H new ATOM 0 HB2 ASP B 38 22.488 14.417 18.647 1.00 26.17 H new ATOM 0 HB3 ASP B 38 21.226 15.506 19.189 1.00 26.17 H new ATOM 1711 N ALA B 39 21.381 18.268 17.030 1.00 25.83 N ATOM 1712 CA ALA B 39 20.464 19.435 16.963 1.00 28.40 C ATOM 1713 C ALA B 39 19.840 19.697 18.340 1.00 30.32 C ATOM 1714 O ALA B 39 18.882 20.433 18.465 1.00 32.55 O ATOM 1715 CB ALA B 39 19.374 19.168 15.921 1.00 28.82 C ATOM 0 H ALA B 39 22.373 18.502 16.992 1.00 25.83 H new ATOM 0 HA ALA B 39 21.027 20.321 16.669 1.00 28.40 H new ATOM 0 HB1 ALA B 39 18.701 20.024 15.871 1.00 28.82 H new ATOM 0 HB2 ALA B 39 19.834 19.011 14.945 1.00 28.82 H new ATOM 0 HB3 ALA B 39 18.810 18.279 16.204 1.00 28.82 H new ATOM 1721 N ASN B 40 20.380 19.108 19.376 1.00 29.50 N ATOM 1722 CA ASN B 40 19.820 19.335 20.743 1.00 32.01 C ATOM 1723 C ASN B 40 20.507 20.546 21.374 1.00 32.47 C ATOM 1724 O ASN B 40 21.642 20.475 21.803 1.00 29.40 O ATOM 1725 CB ASN B 40 20.072 18.105 21.615 1.00 33.06 C ATOM 1726 CG ASN B 40 19.364 18.279 22.960 1.00 33.55 C ATOM 1727 OD1 ASN B 40 19.294 17.356 23.747 1.00 35.11 O ATOM 1728 ND2 ASN B 40 18.831 19.432 23.259 1.00 33.85 N ATOM 0 H ASN B 40 21.183 18.481 19.335 1.00 29.50 H new ATOM 0 HA ASN B 40 18.747 19.513 20.669 1.00 32.01 H new ATOM 0 HB2 ASN B 40 19.707 17.209 21.113 1.00 33.06 H new ATOM 0 HB3 ASN B 40 21.142 17.969 21.770 1.00 33.06 H new ATOM 0 HD21 ASN B 40 18.356 19.558 24.153 1.00 33.85 H new ATOM 0 HD22 ASN B 40 18.889 20.207 22.599 1.00 33.85 H new ATOM 1735 N ILE B 41 19.830 21.658 21.435 1.00 33.58 N ATOM 1736 CA ILE B 41 20.442 22.876 22.039 1.00 35.14 C ATOM 1737 C ILE B 41 21.094 22.515 23.372 1.00 34.57 C ATOM 1738 O ILE B 41 22.241 22.823 23.616 1.00 33.97 O ATOM 1739 CB ILE B 41 19.345 23.928 22.263 1.00 38.72 C ATOM 1740 CG1 ILE B 41 18.879 24.418 20.874 1.00 39.13 C ATOM 1741 CG2 ILE B 41 19.873 25.100 23.151 1.00 40.27 C ATOM 1742 CD1 ILE B 41 17.885 25.587 20.982 1.00 40.55 C ATOM 0 H ILE B 41 18.877 21.777 21.092 1.00 33.58 H new ATOM 0 HA ILE B 41 21.203 23.278 21.370 1.00 35.14 H new ATOM 0 HB ILE B 41 18.500 23.497 22.800 1.00 38.72 H new ATOM 0 HG12 ILE B 41 19.745 24.730 20.290 1.00 39.13 H new ATOM 0 HG13 ILE B 41 18.412 23.593 20.336 1.00 39.13 H new ATOM 0 HG21 ILE B 41 19.079 25.833 23.296 1.00 40.27 H new ATOM 0 HG22 ILE B 41 20.188 24.710 24.119 1.00 40.27 H new ATOM 0 HG23 ILE B 41 20.721 25.576 22.658 1.00 40.27 H new ATOM 0 HD11 ILE B 41 17.583 25.901 19.983 1.00 40.55 H new ATOM 0 HD12 ILE B 41 17.007 25.267 21.543 1.00 40.55 H new ATOM 0 HD13 ILE B 41 18.360 26.422 21.497 1.00 40.55 H new ATOM 1754 N GLU B 42 20.370 21.873 24.236 1.00 35.46 N ATOM 1755 CA GLU B 42 20.945 21.503 25.555 1.00 34.62 C ATOM 1756 C GLU B 42 22.319 20.859 25.362 1.00 31.10 C ATOM 1757 O GLU B 42 23.271 21.193 26.039 1.00 29.48 O ATOM 1758 CB GLU B 42 20.004 20.516 26.244 1.00 40.18 C ATOM 1759 CG GLU B 42 18.621 21.154 26.384 1.00 46.15 C ATOM 1760 CD GLU B 42 17.687 20.196 27.125 1.00 50.80 C ATOM 1761 OE1 GLU B 42 18.046 19.773 28.212 1.00 53.92 O ATOM 1762 OE2 GLU B 42 16.630 19.900 26.593 1.00 52.61 O ATOM 0 H GLU B 42 19.402 21.587 24.088 1.00 35.46 H new ATOM 0 HA GLU B 42 21.059 22.396 26.170 1.00 34.62 H new ATOM 0 HB2 GLU B 42 19.936 19.595 25.665 1.00 40.18 H new ATOM 0 HB3 GLU B 42 20.395 20.247 27.225 1.00 40.18 H new ATOM 0 HG2 GLU B 42 18.697 22.096 26.927 1.00 46.15 H new ATOM 0 HG3 GLU B 42 18.215 21.385 25.399 1.00 46.15 H new ATOM 1769 N GLU B 43 22.432 19.940 24.445 1.00 26.75 N ATOM 1770 CA GLU B 43 23.749 19.281 24.213 1.00 25.31 C ATOM 1771 C GLU B 43 24.619 20.186 23.338 1.00 22.10 C ATOM 1772 O GLU B 43 25.825 20.220 23.477 1.00 21.22 O ATOM 1773 CB GLU B 43 23.535 17.935 23.512 1.00 24.85 C ATOM 1774 CG GLU B 43 24.792 17.072 23.658 1.00 27.31 C ATOM 1775 CD GLU B 43 24.876 16.527 25.084 1.00 29.91 C ATOM 1776 OE1 GLU B 43 24.099 15.642 25.406 1.00 30.00 O ATOM 1777 OE2 GLU B 43 25.715 17.003 25.831 1.00 28.72 O ATOM 0 H GLU B 43 21.672 19.616 23.847 1.00 26.75 H new ATOM 0 HA GLU B 43 24.246 19.111 25.168 1.00 25.31 H new ATOM 0 HB2 GLU B 43 22.677 17.421 23.945 1.00 24.85 H new ATOM 0 HB3 GLU B 43 23.312 18.095 22.457 1.00 24.85 H new ATOM 0 HG2 GLU B 43 24.765 16.249 22.944 1.00 27.31 H new ATOM 0 HG3 GLU B 43 25.679 17.663 23.431 1.00 27.31 H new ATOM 1784 N ALA B 44 24.020 20.922 22.440 1.00 21.46 N ATOM 1785 CA ALA B 44 24.824 21.821 21.565 1.00 22.00 C ATOM 1786 C ALA B 44 25.330 23.003 22.399 1.00 21.74 C ATOM 1787 O ALA B 44 26.420 23.497 22.198 1.00 19.07 O ATOM 1788 CB ALA B 44 23.957 22.307 20.382 1.00 22.06 C ATOM 0 H ALA B 44 23.013 20.939 22.276 1.00 21.46 H new ATOM 0 HA ALA B 44 25.681 21.284 21.158 1.00 22.00 H new ATOM 0 HB1 ALA B 44 24.548 22.964 19.744 1.00 22.06 H new ATOM 0 HB2 ALA B 44 23.617 21.448 19.803 1.00 22.06 H new ATOM 0 HB3 ALA B 44 23.093 22.852 20.763 1.00 22.06 H new ATOM 1794 N SER B 45 24.544 23.451 23.333 1.00 21.72 N ATOM 1795 CA SER B 45 24.967 24.594 24.187 1.00 24.00 C ATOM 1796 C SER B 45 26.204 24.204 25.000 1.00 24.30 C ATOM 1797 O SER B 45 27.168 24.941 25.073 1.00 23.27 O ATOM 1798 CB SER B 45 23.825 24.956 25.137 1.00 25.03 C ATOM 1799 OG SER B 45 23.820 24.053 26.237 1.00 28.51 O ATOM 0 H SER B 45 23.620 23.073 23.544 1.00 21.72 H new ATOM 0 HA SER B 45 25.210 25.450 23.557 1.00 24.00 H new ATOM 0 HB2 SER B 45 23.944 25.979 25.493 1.00 25.03 H new ATOM 0 HB3 SER B 45 22.871 24.911 24.611 1.00 25.03 H new ATOM 0 HG SER B 45 23.608 23.151 25.919 1.00 28.51 H new ATOM 1805 N ARG B 46 26.184 23.054 25.615 1.00 26.45 N ATOM 1806 CA ARG B 46 27.355 22.620 26.427 1.00 27.79 C ATOM 1807 C ARG B 46 28.640 22.796 25.613 1.00 26.86 C ATOM 1808 O ARG B 46 29.664 23.194 26.131 1.00 25.99 O ATOM 1809 CB ARG B 46 27.182 21.146 26.821 1.00 31.64 C ATOM 1810 CG ARG B 46 26.240 21.037 28.031 1.00 39.02 C ATOM 1811 CD ARG B 46 26.128 19.567 28.487 1.00 43.92 C ATOM 1812 NE ARG B 46 24.899 18.938 27.898 1.00 48.12 N ATOM 1813 CZ ARG B 46 23.704 19.404 28.143 1.00 50.42 C ATOM 1814 NH1 ARG B 46 23.539 20.389 28.983 1.00 52.31 N ATOM 1815 NH2 ARG B 46 22.666 18.864 27.564 1.00 52.39 N ATOM 0 H ARG B 46 25.406 22.395 25.590 1.00 26.45 H new ATOM 0 HA ARG B 46 27.421 23.229 27.329 1.00 27.79 H new ATOM 0 HB2 ARG B 46 26.777 20.581 25.981 1.00 31.64 H new ATOM 0 HB3 ARG B 46 28.151 20.709 27.062 1.00 31.64 H new ATOM 0 HG2 ARG B 46 26.614 21.652 28.849 1.00 39.02 H new ATOM 0 HG3 ARG B 46 25.254 21.421 27.769 1.00 39.02 H new ATOM 0 HD2 ARG B 46 27.014 19.013 28.177 1.00 43.92 H new ATOM 0 HD3 ARG B 46 26.086 19.518 29.575 1.00 43.92 H new ATOM 0 HE ARG B 46 25.000 18.125 27.290 1.00 48.12 H new ATOM 0 HH11 ARG B 46 24.346 20.799 29.453 1.00 52.31 H new ATOM 0 HH12 ARG B 46 22.603 20.748 29.170 1.00 52.31 H new ATOM 0 HH21 ARG B 46 22.790 18.081 26.923 1.00 52.39 H new ATOM 0 HH22 ARG B 46 21.731 19.225 27.753 1.00 52.39 H new ATOM 1829 N ARG B 47 28.595 22.509 24.344 1.00 22.86 N ATOM 1830 CA ARG B 47 29.817 22.669 23.506 1.00 20.88 C ATOM 1831 C ARG B 47 30.172 24.149 23.429 1.00 18.23 C ATOM 1832 O ARG B 47 31.232 24.566 23.852 1.00 21.17 O ATOM 1833 CB ARG B 47 29.550 22.120 22.105 1.00 19.97 C ATOM 1834 CG ARG B 47 28.907 20.736 22.222 1.00 21.43 C ATOM 1835 CD ARG B 47 28.645 20.154 20.830 1.00 22.98 C ATOM 1836 NE ARG B 47 28.584 18.670 20.933 1.00 20.54 N ATOM 1837 CZ ARG B 47 28.129 17.970 19.937 1.00 24.59 C ATOM 1838 NH1 ARG B 47 27.767 18.567 18.839 1.00 24.12 N ATOM 1839 NH2 ARG B 47 28.041 16.672 20.036 1.00 16.51 N ATOM 0 H ARG B 47 27.769 22.172 23.850 1.00 22.86 H new ATOM 0 HA ARG B 47 30.648 22.119 23.948 1.00 20.88 H new ATOM 0 HB2 ARG B 47 28.893 22.794 21.556 1.00 19.97 H new ATOM 0 HB3 ARG B 47 30.482 22.055 21.543 1.00 19.97 H new ATOM 0 HG2 ARG B 47 29.561 20.070 22.785 1.00 21.43 H new ATOM 0 HG3 ARG B 47 27.971 20.808 22.776 1.00 21.43 H new ATOM 0 HD2 ARG B 47 27.709 20.543 20.429 1.00 22.98 H new ATOM 0 HD3 ARG B 47 29.436 20.452 20.142 1.00 22.98 H new ATOM 0 HE ARG B 47 28.899 18.204 21.784 1.00 20.54 H new ATOM 0 HH11 ARG B 47 27.841 19.581 18.762 1.00 24.12 H new ATOM 0 HH12 ARG B 47 27.409 18.021 18.055 1.00 24.12 H new ATOM 0 HH21 ARG B 47 28.329 16.205 20.896 1.00 16.51 H new ATOM 0 HH22 ARG B 47 27.684 16.124 19.253 1.00 16.51 H new ATOM 1853 N ILE B 48 29.280 24.952 22.920 1.00 16.11 N ATOM 1854 CA ILE B 48 29.549 26.418 22.846 1.00 18.86 C ATOM 1855 C ILE B 48 30.042 26.872 24.208 1.00 23.26 C ATOM 1856 O ILE B 48 31.108 27.432 24.350 1.00 21.90 O ATOM 1857 CB ILE B 48 28.255 27.146 22.503 1.00 18.65 C ATOM 1858 CG1 ILE B 48 27.663 26.509 21.247 1.00 19.26 C ATOM 1859 CG2 ILE B 48 28.563 28.623 22.253 1.00 21.02 C ATOM 1860 CD1 ILE B 48 26.407 27.270 20.797 1.00 15.25 C ATOM 0 H ILE B 48 28.376 24.658 22.551 1.00 16.11 H new ATOM 0 HA ILE B 48 30.295 26.636 22.082 1.00 18.86 H new ATOM 0 HB ILE B 48 27.540 27.069 23.323 1.00 18.65 H new ATOM 0 HG12 ILE B 48 28.403 26.513 20.447 1.00 19.26 H new ATOM 0 HG13 ILE B 48 27.412 25.467 21.445 1.00 19.26 H new ATOM 0 HG21 ILE B 48 27.641 29.150 22.007 1.00 21.02 H new ATOM 0 HG22 ILE B 48 29.003 29.060 23.150 1.00 21.02 H new ATOM 0 HG23 ILE B 48 29.265 28.713 21.424 1.00 21.02 H new ATOM 0 HD11 ILE B 48 25.999 26.802 19.901 1.00 15.25 H new ATOM 0 HD12 ILE B 48 25.661 27.244 21.592 1.00 15.25 H new ATOM 0 HD13 ILE B 48 26.668 28.306 20.579 1.00 15.25 H new ATOM 1872 N GLU B 49 29.270 26.595 25.213 1.00 24.41 N ATOM 1873 CA GLU B 49 29.662 26.965 26.599 1.00 29.72 C ATOM 1874 C GLU B 49 31.120 26.602 26.828 1.00 31.01 C ATOM 1875 O GLU B 49 31.958 27.449 27.065 1.00 30.32 O ATOM 1876 CB GLU B 49 28.840 26.126 27.561 1.00 30.86 C ATOM 1877 CG GLU B 49 27.429 26.702 27.711 1.00 35.37 C ATOM 1878 CD GLU B 49 26.735 26.043 28.905 1.00 37.77 C ATOM 1879 OE1 GLU B 49 27.058 24.903 29.197 1.00 38.92 O ATOM 1880 OE2 GLU B 49 25.893 26.689 29.507 1.00 38.78 O ATOM 0 H GLU B 49 28.370 26.121 25.135 1.00 24.41 H new ATOM 0 HA GLU B 49 29.504 28.033 26.751 1.00 29.72 H new ATOM 0 HB2 GLU B 49 28.783 25.100 27.199 1.00 30.86 H new ATOM 0 HB3 GLU B 49 29.330 26.094 28.534 1.00 30.86 H new ATOM 0 HG2 GLU B 49 27.478 27.781 27.855 1.00 35.37 H new ATOM 0 HG3 GLU B 49 26.855 26.528 26.801 1.00 35.37 H new ATOM 1887 N GLU B 50 31.427 25.333 26.739 1.00 31.22 N ATOM 1888 CA GLU B 50 32.831 24.898 26.928 1.00 30.52 C ATOM 1889 C GLU B 50 33.666 25.773 26.021 1.00 30.97 C ATOM 1890 O GLU B 50 34.667 26.300 26.406 1.00 30.11 O ATOM 1891 CB GLU B 50 32.959 23.410 26.536 1.00 33.65 C ATOM 1892 CG GLU B 50 34.090 22.741 27.327 1.00 34.45 C ATOM 1893 CD GLU B 50 34.079 21.236 27.056 1.00 36.26 C ATOM 1894 OE1 GLU B 50 33.212 20.564 27.589 1.00 36.07 O ATOM 1895 OE2 GLU B 50 34.938 20.781 26.319 1.00 35.94 O ATOM 0 H GLU B 50 30.762 24.585 26.544 1.00 31.22 H new ATOM 0 HA GLU B 50 33.160 24.994 27.963 1.00 30.52 H new ATOM 0 HB2 GLU B 50 32.018 22.895 26.729 1.00 33.65 H new ATOM 0 HB3 GLU B 50 33.155 23.325 25.467 1.00 33.65 H new ATOM 0 HG2 GLU B 50 35.051 23.166 27.039 1.00 34.45 H new ATOM 0 HG3 GLU B 50 33.964 22.931 28.393 1.00 34.45 H new ATOM 1902 N GLY B 51 33.193 25.964 24.834 1.00 0.00 N ATOM 1903 CA GLY B 51 33.894 26.836 23.858 1.00 0.00 C ATOM 1904 C GLY B 51 34.122 28.228 24.463 1.00 0.00 C ATOM 1905 O GLY B 51 35.231 28.699 24.608 1.00 0.00 O ATOM 0 H GLY B 51 32.330 25.545 24.487 1.00 0.00 H new ATOM 0 HA2 GLY B 51 34.849 26.390 23.581 1.00 0.00 H new ATOM 0 HA3 GLY B 51 33.305 26.920 22.945 1.00 0.00 H new ATOM 1909 N GLN B 52 33.058 28.904 24.798 1.00 30.19 N ATOM 1910 CA GLN B 52 33.188 30.276 25.381 1.00 33.26 C ATOM 1911 C GLN B 52 34.220 30.228 26.495 1.00 34.21 C ATOM 1912 O GLN B 52 35.161 30.995 26.538 1.00 33.27 O ATOM 1913 CB GLN B 52 31.847 30.719 25.979 1.00 34.36 C ATOM 1914 CG GLN B 52 30.711 30.548 24.952 1.00 37.06 C ATOM 1915 CD GLN B 52 30.512 31.837 24.150 1.00 39.18 C ATOM 1916 OE1 GLN B 52 31.450 32.382 23.603 1.00 39.82 O ATOM 1917 NE2 GLN B 52 29.316 32.348 24.063 1.00 40.80 N ATOM 0 H GLN B 52 32.101 28.568 24.694 1.00 30.19 H new ATOM 0 HA GLN B 52 33.488 30.977 24.602 1.00 33.26 H new ATOM 0 HB2 GLN B 52 31.629 30.132 26.871 1.00 34.36 H new ATOM 0 HB3 GLN B 52 31.909 31.762 26.291 1.00 34.36 H new ATOM 0 HG2 GLN B 52 30.945 29.725 24.276 1.00 37.06 H new ATOM 0 HG3 GLN B 52 29.786 30.286 25.465 1.00 37.06 H new ATOM 0 HE21 GLN B 52 28.530 31.888 24.523 1.00 40.80 H new ATOM 0 HE22 GLN B 52 29.166 33.207 23.535 1.00 40.80 H new ATOM 1926 N TYR B 53 34.040 29.308 27.389 1.00 35.76 N ATOM 1927 CA TYR B 53 34.990 29.155 28.514 1.00 38.60 C ATOM 1928 C TYR B 53 36.338 28.723 27.944 1.00 39.68 C ATOM 1929 O TYR B 53 37.379 29.241 28.291 1.00 39.52 O ATOM 1930 CB TYR B 53 34.448 28.074 29.463 1.00 40.83 C ATOM 1931 CG TYR B 53 35.573 27.489 30.283 1.00 43.21 C ATOM 1932 CD1 TYR B 53 36.375 26.486 29.742 1.00 44.13 C ATOM 1933 CD2 TYR B 53 35.811 27.959 31.569 1.00 43.89 C ATOM 1934 CE1 TYR B 53 37.420 25.947 30.489 1.00 47.20 C ATOM 1935 CE2 TYR B 53 36.859 27.423 32.328 1.00 46.12 C ATOM 1936 CZ TYR B 53 37.667 26.414 31.786 1.00 46.20 C ATOM 1937 OH TYR B 53 38.702 25.883 32.528 1.00 48.95 O ATOM 0 H TYR B 53 33.264 28.646 27.389 1.00 35.76 H new ATOM 0 HA TYR B 53 35.108 30.091 29.061 1.00 38.60 H new ATOM 0 HB2 TYR B 53 33.693 28.503 30.122 1.00 40.83 H new ATOM 0 HB3 TYR B 53 33.959 27.287 28.889 1.00 40.83 H new ATOM 0 HD1 TYR B 53 36.186 26.126 28.742 1.00 44.13 H new ATOM 0 HD2 TYR B 53 35.188 28.738 31.983 1.00 43.89 H new ATOM 0 HE1 TYR B 53 38.040 25.169 30.068 1.00 47.20 H new ATOM 0 HE2 TYR B 53 37.044 27.786 33.328 1.00 46.12 H new ATOM 0 HH TYR B 53 39.376 26.575 32.692 1.00 48.95 H new ATOM 1947 N VAL B 54 36.304 27.766 27.072 1.00 39.35 N ATOM 1948 CA VAL B 54 37.547 27.251 26.452 1.00 40.00 C ATOM 1949 C VAL B 54 38.343 28.439 25.903 1.00 40.47 C ATOM 1950 O VAL B 54 39.432 28.738 26.351 1.00 39.23 O ATOM 1951 CB VAL B 54 37.109 26.315 25.323 1.00 40.33 C ATOM 1952 CG1 VAL B 54 38.171 26.187 24.259 1.00 40.58 C ATOM 1953 CG2 VAL B 54 36.726 24.909 25.858 1.00 39.92 C ATOM 0 H VAL B 54 35.449 27.308 26.755 1.00 39.35 H new ATOM 0 HA VAL B 54 38.180 26.716 27.160 1.00 40.00 H new ATOM 0 HB VAL B 54 36.224 26.766 24.874 1.00 40.33 H new ATOM 0 HG11 VAL B 54 37.822 25.514 23.476 1.00 40.58 H new ATOM 0 HG12 VAL B 54 38.377 27.168 23.830 1.00 40.58 H new ATOM 0 HG13 VAL B 54 39.083 25.786 24.702 1.00 40.58 H new ATOM 0 HG21 VAL B 54 36.421 24.274 25.026 1.00 39.92 H new ATOM 0 HG22 VAL B 54 37.586 24.463 26.358 1.00 39.92 H new ATOM 0 HG23 VAL B 54 35.902 25.001 26.566 1.00 39.92 H new ATOM 1963 N VAL B 55 37.790 29.115 24.938 1.00 40.13 N ATOM 1964 CA VAL B 55 38.484 30.289 24.346 1.00 42.29 C ATOM 1965 C VAL B 55 38.818 31.274 25.466 1.00 43.82 C ATOM 1966 O VAL B 55 39.961 31.628 25.675 1.00 43.78 O ATOM 1967 CB VAL B 55 37.551 30.953 23.324 1.00 41.62 C ATOM 1968 CG1 VAL B 55 38.275 32.097 22.604 1.00 42.45 C ATOM 1969 CG2 VAL B 55 37.106 29.906 22.299 1.00 41.12 C ATOM 0 H VAL B 55 36.879 28.903 24.531 1.00 40.13 H new ATOM 0 HA VAL B 55 39.403 29.981 23.847 1.00 42.29 H new ATOM 0 HB VAL B 55 36.684 31.360 23.844 1.00 41.62 H new ATOM 0 HG11 VAL B 55 37.600 32.558 21.883 1.00 42.45 H new ATOM 0 HG12 VAL B 55 38.591 32.843 23.333 1.00 42.45 H new ATOM 0 HG13 VAL B 55 39.149 31.704 22.084 1.00 42.45 H new ATOM 0 HG21 VAL B 55 36.443 30.370 21.569 1.00 41.12 H new ATOM 0 HG22 VAL B 55 37.980 29.502 21.789 1.00 41.12 H new ATOM 0 HG23 VAL B 55 36.578 29.100 22.808 1.00 41.12 H new ATOM 1979 N ASN B 56 37.827 31.714 26.193 1.00 44.48 N ATOM 1980 CA ASN B 56 38.092 32.669 27.305 1.00 47.06 C ATOM 1981 C ASN B 56 39.227 32.120 28.169 1.00 47.69 C ATOM 1982 O ASN B 56 40.154 32.825 28.514 1.00 47.82 O ATOM 1983 CB ASN B 56 36.827 32.831 28.152 1.00 46.90 C ATOM 1984 CG ASN B 56 35.717 33.443 27.298 1.00 47.81 C ATOM 1985 OD1 ASN B 56 35.937 33.793 26.155 1.00 48.43 O ATOM 1986 ND2 ASN B 56 34.523 33.588 27.806 1.00 47.03 N ATOM 0 H ASN B 56 36.849 31.454 26.065 1.00 44.48 H new ATOM 0 HA ASN B 56 38.376 33.641 26.901 1.00 47.06 H new ATOM 0 HB2 ASN B 56 36.510 31.863 28.540 1.00 46.90 H new ATOM 0 HB3 ASN B 56 37.032 33.468 29.012 1.00 46.90 H new ATOM 0 HD21 ASN B 56 33.775 33.995 27.244 1.00 47.03 H new ATOM 0 HD22 ASN B 56 34.338 33.294 28.765 1.00 47.03 H new ATOM 1993 N GLU B 57 39.171 30.859 28.507 1.00 49.57 N ATOM 1994 CA GLU B 57 40.256 30.263 29.333 1.00 51.35 C ATOM 1995 C GLU B 57 41.586 30.444 28.604 1.00 52.18 C ATOM 1996 O GLU B 57 42.521 31.012 29.132 1.00 52.13 O ATOM 1997 CB GLU B 57 39.988 28.771 29.539 1.00 52.66 C ATOM 1998 CG GLU B 57 40.967 28.211 30.573 1.00 53.83 C ATOM 1999 CD GLU B 57 40.616 28.760 31.957 1.00 55.85 C ATOM 2000 OE1 GLU B 57 39.624 28.320 32.513 1.00 57.10 O ATOM 2001 OE2 GLU B 57 41.346 29.612 32.438 1.00 56.34 O ATOM 0 H GLU B 57 38.421 30.219 28.246 1.00 49.57 H new ATOM 0 HA GLU B 57 40.292 30.757 30.304 1.00 51.35 H new ATOM 0 HB2 GLU B 57 38.962 28.619 29.875 1.00 52.66 H new ATOM 0 HB3 GLU B 57 40.097 28.238 28.594 1.00 52.66 H new ATOM 0 HG2 GLU B 57 40.922 27.122 30.580 1.00 53.83 H new ATOM 0 HG3 GLU B 57 41.988 28.486 30.309 1.00 53.83 H new