USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 HIS : no HE2:sc= -2.78 K(o=-3.5,f=-4.2) USER MOD Set 1.2: A 111 ASN : amide:sc= -0.769 K(o=-3.5,f=-4.2!) USER MOD Single : A 8 GLN : amide:sc=-0.00568 X(o=-0.0057,f=-0.36) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.000236) USER MOD Single : A 17 SER OG : rot 80:sc= 0.443 USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= -0.0201 (180deg=-0.308) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc=-0.00984 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0617 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 36 MET CE :methyl -139:sc= -0.053 (180deg=-0.381) USER MOD Single : A 38 SER OG : rot -35:sc= 0.262 USER MOD Single : A 41 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.19) USER MOD Single : A 42 ASN : amide:sc=0.000566 X(o=0.00057,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 49 GLN : amide:sc= -0.0204 X(o=-0.02,f=-0.33) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -137:sc= 0 (180deg=-0.222) USER MOD Single : A 72 MET CE :methyl -170:sc= -0.992 (180deg=-1.39) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -174:sc= -2.55 (180deg=-2.79) USER MOD Single : A 110 THR OG1 : rot 64:sc= -0.9! USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -74:sc= 0.191 USER MOD Single : A 124 MET CE :methyl -173:sc= -0.0288 (180deg=-0.0893) USER MOD Single : A 135 GLN : amide:sc=-0.00028 X(o=-0.00028,f=-0.22) USER MOD Single : A 137 ASN : amide:sc= -0.0867 K(o=-0.087,f=-2.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -140:sc= -0.411 (180deg=-3.17!) USER MOD Single : A 146 THR OG1 : rot 89:sc= -0.163 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 13.805 2.254 -3.489 1.00 0.28 N ATOM 106 CA GLN A 8 12.493 2.610 -2.881 1.00 0.26 C ATOM 107 C GLN A 8 11.433 1.614 -3.358 1.00 0.25 C ATOM 108 O GLN A 8 10.554 1.229 -2.612 1.00 0.24 O ATOM 109 CB GLN A 8 12.097 4.031 -3.296 1.00 0.26 C ATOM 110 CG GLN A 8 13.012 5.042 -2.600 1.00 0.30 C ATOM 111 CD GLN A 8 12.876 6.407 -3.277 1.00 0.39 C ATOM 112 OE1 GLN A 8 12.961 6.511 -4.484 1.00 0.66 O ATOM 113 NE2 GLN A 8 12.669 7.469 -2.546 1.00 0.55 N ATOM 0 HA GLN A 8 12.570 2.569 -1.794 1.00 0.26 H new ATOM 0 HB2 GLN A 8 12.174 4.140 -4.378 1.00 0.26 H new ATOM 0 HB3 GLN A 8 11.057 4.222 -3.030 1.00 0.26 H new ATOM 0 HG2 GLN A 8 12.749 5.120 -1.545 1.00 0.30 H new ATOM 0 HG3 GLN A 8 14.047 4.703 -2.646 1.00 0.30 H new ATOM 0 HE21 GLN A 8 12.597 7.384 -1.532 1.00 0.55 H new ATOM 0 HE22 GLN A 8 12.579 8.383 -2.989 1.00 0.55 H new ATOM 122 N ILE A 9 11.510 1.182 -4.589 1.00 0.25 N ATOM 123 CA ILE A 9 10.509 0.201 -5.088 1.00 0.24 C ATOM 124 C ILE A 9 10.713 -1.128 -4.362 1.00 0.24 C ATOM 125 O ILE A 9 9.777 -1.859 -4.105 1.00 0.24 O ATOM 126 CB ILE A 9 10.694 -0.007 -6.595 1.00 0.21 C ATOM 127 CG1 ILE A 9 10.382 1.300 -7.328 1.00 0.19 C ATOM 128 CG2 ILE A 9 9.745 -1.110 -7.079 1.00 0.24 C ATOM 129 CD1 ILE A 9 10.744 1.161 -8.808 1.00 0.21 C ATOM 0 H ILE A 9 12.219 1.465 -5.265 1.00 0.25 H new ATOM 0 HA ILE A 9 9.503 0.577 -4.900 1.00 0.24 H new ATOM 0 HB ILE A 9 11.723 -0.302 -6.801 1.00 0.21 H new ATOM 0 HG12 ILE A 9 9.325 1.543 -7.224 1.00 0.19 H new ATOM 0 HG13 ILE A 9 10.943 2.121 -6.882 1.00 0.19 H new ATOM 0 HG21 ILE A 9 9.876 -1.258 -8.151 1.00 0.24 H new ATOM 0 HG22 ILE A 9 9.969 -2.039 -6.554 1.00 0.24 H new ATOM 0 HG23 ILE A 9 8.715 -0.818 -6.877 1.00 0.24 H new ATOM 0 HD11 ILE A 9 10.520 2.093 -9.326 1.00 0.21 H new ATOM 0 HD12 ILE A 9 11.807 0.939 -8.903 1.00 0.21 H new ATOM 0 HD13 ILE A 9 10.163 0.352 -9.250 1.00 0.21 H new ATOM 141 N ALA A 10 11.934 -1.449 -4.033 1.00 0.26 N ATOM 142 CA ALA A 10 12.200 -2.730 -3.326 1.00 0.28 C ATOM 143 C ALA A 10 11.685 -2.640 -1.883 1.00 0.34 C ATOM 144 O ALA A 10 11.005 -3.526 -1.412 1.00 0.47 O ATOM 145 CB ALA A 10 13.714 -3.020 -3.344 1.00 0.30 C ATOM 0 H ALA A 10 12.758 -0.879 -4.224 1.00 0.26 H new ATOM 0 HA ALA A 10 11.680 -3.544 -3.830 1.00 0.28 H new ATOM 0 HB1 ALA A 10 13.911 -3.959 -2.826 1.00 0.30 H new ATOM 0 HB2 ALA A 10 14.058 -3.096 -4.376 1.00 0.30 H new ATOM 0 HB3 ALA A 10 14.245 -2.211 -2.843 1.00 0.30 H new ATOM 151 N GLU A 11 11.999 -1.586 -1.173 1.00 0.25 N ATOM 152 CA GLU A 11 11.525 -1.467 0.232 1.00 0.28 C ATOM 153 C GLU A 11 10.021 -1.748 0.292 1.00 0.25 C ATOM 154 O GLU A 11 9.554 -2.510 1.116 1.00 0.23 O ATOM 155 CB GLU A 11 11.830 -0.035 0.739 1.00 0.34 C ATOM 156 CG GLU A 11 12.657 -0.089 2.026 1.00 0.46 C ATOM 157 CD GLU A 11 12.964 1.333 2.500 1.00 0.59 C ATOM 158 OE1 GLU A 11 12.350 2.253 1.984 1.00 1.26 O ATOM 159 OE2 GLU A 11 13.808 1.476 3.369 1.00 1.35 O ATOM 0 H GLU A 11 12.563 -0.805 -1.509 1.00 0.25 H new ATOM 0 HA GLU A 11 12.037 -2.191 0.866 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.372 0.521 -0.026 1.00 0.34 H new ATOM 0 HB3 GLU A 11 10.898 0.500 0.921 1.00 0.34 H new ATOM 0 HG2 GLU A 11 12.111 -0.630 2.798 1.00 0.46 H new ATOM 0 HG3 GLU A 11 13.585 -0.633 1.851 1.00 0.46 H new ATOM 166 N PHE A 12 9.261 -1.143 -0.572 1.00 0.24 N ATOM 167 CA PHE A 12 7.796 -1.387 -0.550 1.00 0.22 C ATOM 168 C PHE A 12 7.523 -2.836 -0.942 1.00 0.18 C ATOM 169 O PHE A 12 6.611 -3.459 -0.439 1.00 0.16 O ATOM 170 CB PHE A 12 7.094 -0.455 -1.546 1.00 0.23 C ATOM 171 CG PHE A 12 7.477 1.008 -1.347 1.00 0.31 C ATOM 172 CD1 PHE A 12 8.016 1.491 -0.132 1.00 0.30 C ATOM 173 CD2 PHE A 12 7.263 1.901 -2.406 1.00 0.60 C ATOM 174 CE1 PHE A 12 8.324 2.850 0.000 1.00 0.35 C ATOM 175 CE2 PHE A 12 7.579 3.255 -2.266 1.00 0.68 C ATOM 176 CZ PHE A 12 8.107 3.730 -1.064 1.00 0.48 C ATOM 0 H PHE A 12 9.587 -0.494 -1.288 1.00 0.24 H new ATOM 0 HA PHE A 12 7.415 -1.193 0.453 1.00 0.22 H new ATOM 0 HB2 PHE A 12 7.346 -0.758 -2.562 1.00 0.23 H new ATOM 0 HB3 PHE A 12 6.014 -0.562 -1.440 1.00 0.23 H new ATOM 0 HD1 PHE A 12 8.189 0.814 0.691 1.00 0.30 H new ATOM 0 HD2 PHE A 12 6.851 1.540 -3.337 1.00 0.60 H new ATOM 0 HE1 PHE A 12 8.732 3.221 0.929 1.00 0.35 H new ATOM 0 HE2 PHE A 12 7.415 3.935 -3.089 1.00 0.68 H new ATOM 0 HZ PHE A 12 8.348 4.777 -0.956 1.00 0.48 H new ATOM 186 N LYS A 13 8.298 -3.384 -1.835 1.00 0.19 N ATOM 187 CA LYS A 13 8.060 -4.793 -2.247 1.00 0.16 C ATOM 188 C LYS A 13 8.247 -5.726 -1.049 1.00 0.13 C ATOM 189 O LYS A 13 7.460 -6.626 -0.831 1.00 0.09 O ATOM 190 CB LYS A 13 9.031 -5.183 -3.366 1.00 0.17 C ATOM 191 CG LYS A 13 8.880 -6.691 -3.703 1.00 0.14 C ATOM 192 CD LYS A 13 9.025 -6.919 -5.219 1.00 0.20 C ATOM 193 CE LYS A 13 7.689 -6.645 -5.923 1.00 0.37 C ATOM 194 NZ LYS A 13 6.814 -7.847 -5.806 1.00 1.96 N ATOM 0 H LYS A 13 9.081 -2.920 -2.295 1.00 0.19 H new ATOM 0 HA LYS A 13 7.038 -4.886 -2.615 1.00 0.16 H new ATOM 0 HB2 LYS A 13 8.834 -4.583 -4.254 1.00 0.17 H new ATOM 0 HB3 LYS A 13 10.055 -4.972 -3.059 1.00 0.17 H new ATOM 0 HG2 LYS A 13 9.635 -7.267 -3.168 1.00 0.14 H new ATOM 0 HG3 LYS A 13 7.907 -7.050 -3.366 1.00 0.14 H new ATOM 0 HD2 LYS A 13 9.798 -6.264 -5.621 1.00 0.20 H new ATOM 0 HD3 LYS A 13 9.343 -7.943 -5.412 1.00 0.20 H new ATOM 0 HE2 LYS A 13 7.200 -5.780 -5.475 1.00 0.37 H new ATOM 0 HE3 LYS A 13 7.860 -6.407 -6.973 1.00 0.37 H new ATOM 0 HZ1 LYS A 13 5.826 -7.575 -5.982 1.00 1.96 H new ATOM 0 HZ2 LYS A 13 7.107 -8.559 -6.505 1.00 1.96 H new ATOM 0 HZ3 LYS A 13 6.898 -8.246 -4.849 1.00 1.96 H new ATOM 208 N GLU A 14 9.274 -5.533 -0.260 1.00 0.15 N ATOM 209 CA GLU A 14 9.465 -6.432 0.914 1.00 0.12 C ATOM 210 C GLU A 14 8.309 -6.222 1.891 1.00 0.12 C ATOM 211 O GLU A 14 7.742 -7.161 2.415 1.00 0.15 O ATOM 212 CB GLU A 14 10.793 -6.120 1.617 1.00 0.10 C ATOM 213 CG GLU A 14 11.897 -5.885 0.573 1.00 0.24 C ATOM 214 CD GLU A 14 13.270 -6.193 1.184 1.00 0.70 C ATOM 215 OE1 GLU A 14 13.674 -7.342 1.130 1.00 0.39 O ATOM 216 OE2 GLU A 14 13.889 -5.273 1.692 1.00 1.90 O ATOM 0 H GLU A 14 9.977 -4.803 -0.376 1.00 0.15 H new ATOM 0 HA GLU A 14 9.486 -7.467 0.574 1.00 0.12 H new ATOM 0 HB2 GLU A 14 10.682 -5.237 2.247 1.00 0.10 H new ATOM 0 HB3 GLU A 14 11.070 -6.946 2.272 1.00 0.10 H new ATOM 0 HG2 GLU A 14 11.727 -6.518 -0.298 1.00 0.24 H new ATOM 0 HG3 GLU A 14 11.867 -4.852 0.226 1.00 0.24 H new ATOM 223 N ALA A 15 7.956 -4.994 2.134 1.00 0.13 N ATOM 224 CA ALA A 15 6.838 -4.712 3.074 1.00 0.12 C ATOM 225 C ALA A 15 5.517 -5.183 2.460 1.00 0.14 C ATOM 226 O ALA A 15 4.568 -5.482 3.157 1.00 0.18 O ATOM 227 CB ALA A 15 6.769 -3.207 3.347 1.00 0.14 C ATOM 0 H ALA A 15 8.394 -4.170 1.722 1.00 0.13 H new ATOM 0 HA ALA A 15 7.009 -5.244 4.010 1.00 0.12 H new ATOM 0 HB1 ALA A 15 5.950 -2.999 4.036 1.00 0.14 H new ATOM 0 HB2 ALA A 15 7.708 -2.874 3.789 1.00 0.14 H new ATOM 0 HB3 ALA A 15 6.600 -2.675 2.411 1.00 0.14 H new ATOM 233 N PHE A 16 5.446 -5.248 1.159 1.00 0.11 N ATOM 234 CA PHE A 16 4.187 -5.697 0.498 1.00 0.12 C ATOM 235 C PHE A 16 4.070 -7.218 0.578 1.00 0.14 C ATOM 236 O PHE A 16 3.037 -7.753 0.929 1.00 0.19 O ATOM 237 CB PHE A 16 4.209 -5.263 -0.967 1.00 0.11 C ATOM 238 CG PHE A 16 2.843 -5.447 -1.573 1.00 0.11 C ATOM 239 CD1 PHE A 16 1.900 -4.414 -1.498 1.00 0.11 C ATOM 240 CD2 PHE A 16 2.526 -6.642 -2.226 1.00 0.11 C ATOM 241 CE1 PHE A 16 0.637 -4.578 -2.075 1.00 0.11 C ATOM 242 CE2 PHE A 16 1.264 -6.806 -2.806 1.00 0.10 C ATOM 243 CZ PHE A 16 0.320 -5.773 -2.729 1.00 0.10 C ATOM 0 H PHE A 16 6.207 -5.009 0.523 1.00 0.11 H new ATOM 0 HA PHE A 16 3.332 -5.248 1.004 1.00 0.12 H new ATOM 0 HB2 PHE A 16 4.513 -4.219 -1.042 1.00 0.11 H new ATOM 0 HB3 PHE A 16 4.944 -5.849 -1.519 1.00 0.11 H new ATOM 0 HD1 PHE A 16 2.148 -3.491 -0.995 1.00 0.11 H new ATOM 0 HD2 PHE A 16 3.255 -7.437 -2.282 1.00 0.11 H new ATOM 0 HE1 PHE A 16 -0.092 -3.784 -2.016 1.00 0.11 H new ATOM 0 HE2 PHE A 16 1.017 -7.727 -3.313 1.00 0.10 H new ATOM 0 HZ PHE A 16 -0.655 -5.900 -3.176 1.00 0.10 H new ATOM 253 N SER A 17 5.116 -7.921 0.248 1.00 0.15 N ATOM 254 CA SER A 17 5.062 -9.409 0.297 1.00 0.18 C ATOM 255 C SER A 17 4.962 -9.882 1.751 1.00 0.10 C ATOM 256 O SER A 17 4.510 -10.976 2.024 1.00 0.04 O ATOM 257 CB SER A 17 6.326 -9.986 -0.343 1.00 0.26 C ATOM 258 OG SER A 17 6.539 -9.364 -1.604 1.00 1.56 O ATOM 0 H SER A 17 6.008 -7.529 -0.054 1.00 0.15 H new ATOM 0 HA SER A 17 4.185 -9.753 -0.251 1.00 0.18 H new ATOM 0 HB2 SER A 17 7.185 -9.820 0.307 1.00 0.26 H new ATOM 0 HB3 SER A 17 6.225 -11.064 -0.469 1.00 0.26 H new ATOM 0 HG SER A 17 6.952 -8.485 -1.470 1.00 1.56 H new ATOM 264 N LEU A 18 5.381 -9.074 2.690 1.00 0.13 N ATOM 265 CA LEU A 18 5.305 -9.499 4.116 1.00 0.11 C ATOM 266 C LEU A 18 3.850 -9.831 4.475 1.00 0.13 C ATOM 267 O LEU A 18 3.591 -10.500 5.456 1.00 0.20 O ATOM 268 CB LEU A 18 5.830 -8.359 5.023 1.00 0.15 C ATOM 269 CG LEU A 18 7.323 -8.566 5.360 1.00 0.09 C ATOM 270 CD1 LEU A 18 7.854 -7.342 6.137 1.00 0.19 C ATOM 271 CD2 LEU A 18 7.510 -9.850 6.207 1.00 0.04 C ATOM 0 H LEU A 18 5.770 -8.144 2.531 1.00 0.13 H new ATOM 0 HA LEU A 18 5.920 -10.386 4.268 1.00 0.11 H new ATOM 0 HB2 LEU A 18 5.696 -7.400 4.523 1.00 0.15 H new ATOM 0 HB3 LEU A 18 5.247 -8.323 5.943 1.00 0.15 H new ATOM 0 HG LEU A 18 7.883 -8.676 4.432 1.00 0.09 H new ATOM 0 HD11 LEU A 18 8.908 -7.490 6.374 1.00 0.19 H new ATOM 0 HD12 LEU A 18 7.742 -6.446 5.526 1.00 0.19 H new ATOM 0 HD13 LEU A 18 7.288 -7.224 7.061 1.00 0.19 H new ATOM 0 HD21 LEU A 18 8.567 -9.983 6.437 1.00 0.04 H new ATOM 0 HD22 LEU A 18 6.945 -9.759 7.135 1.00 0.04 H new ATOM 0 HD23 LEU A 18 7.149 -10.712 5.646 1.00 0.04 H new ATOM 283 N PHE A 19 2.905 -9.364 3.695 1.00 0.10 N ATOM 284 CA PHE A 19 1.459 -9.646 3.995 1.00 0.15 C ATOM 285 C PHE A 19 0.785 -10.290 2.780 1.00 0.17 C ATOM 286 O PHE A 19 -0.417 -10.226 2.619 1.00 0.21 O ATOM 287 CB PHE A 19 0.761 -8.335 4.346 1.00 0.17 C ATOM 288 CG PHE A 19 1.449 -7.733 5.544 1.00 0.16 C ATOM 289 CD1 PHE A 19 2.600 -6.958 5.369 1.00 0.16 C ATOM 290 CD2 PHE A 19 0.946 -7.963 6.828 1.00 0.19 C ATOM 291 CE1 PHE A 19 3.249 -6.409 6.482 1.00 0.15 C ATOM 292 CE2 PHE A 19 1.591 -7.413 7.941 1.00 0.19 C ATOM 293 CZ PHE A 19 2.743 -6.636 7.768 1.00 0.17 C ATOM 0 H PHE A 19 3.069 -8.799 2.862 1.00 0.10 H new ATOM 0 HA PHE A 19 1.388 -10.336 4.836 1.00 0.15 H new ATOM 0 HB2 PHE A 19 0.800 -7.647 3.501 1.00 0.17 H new ATOM 0 HB3 PHE A 19 -0.292 -8.513 4.564 1.00 0.17 H new ATOM 0 HD1 PHE A 19 2.988 -6.783 4.376 1.00 0.16 H new ATOM 0 HD2 PHE A 19 0.059 -8.565 6.961 1.00 0.19 H new ATOM 0 HE1 PHE A 19 4.139 -5.811 6.349 1.00 0.15 H new ATOM 0 HE2 PHE A 19 1.201 -7.588 8.933 1.00 0.19 H new ATOM 0 HZ PHE A 19 3.242 -6.212 8.627 1.00 0.17 H new ATOM 303 N ASP A 20 1.554 -10.926 1.934 1.00 0.17 N ATOM 304 CA ASP A 20 0.972 -11.603 0.733 1.00 0.20 C ATOM 305 C ASP A 20 0.863 -13.105 1.025 1.00 0.24 C ATOM 306 O ASP A 20 1.594 -13.908 0.478 1.00 0.25 O ATOM 307 CB ASP A 20 1.895 -11.389 -0.471 1.00 0.19 C ATOM 308 CG ASP A 20 1.343 -12.147 -1.679 1.00 0.22 C ATOM 309 OD1 ASP A 20 0.155 -12.421 -1.689 1.00 1.32 O ATOM 310 OD2 ASP A 20 2.120 -12.442 -2.573 1.00 0.90 O ATOM 0 H ASP A 20 2.567 -11.007 2.023 1.00 0.17 H new ATOM 0 HA ASP A 20 -0.012 -11.189 0.512 1.00 0.20 H new ATOM 0 HB2 ASP A 20 1.972 -10.326 -0.699 1.00 0.19 H new ATOM 0 HB3 ASP A 20 2.901 -11.738 -0.238 1.00 0.19 H new ATOM 315 N LYS A 21 -0.025 -13.485 1.904 1.00 0.26 N ATOM 316 CA LYS A 21 -0.167 -14.931 2.262 1.00 0.28 C ATOM 317 C LYS A 21 -0.816 -15.714 1.125 1.00 0.24 C ATOM 318 O LYS A 21 -0.988 -16.915 1.203 1.00 0.22 O ATOM 319 CB LYS A 21 -1.034 -15.051 3.514 1.00 0.31 C ATOM 320 CG LYS A 21 -0.390 -14.279 4.676 1.00 0.34 C ATOM 321 CD LYS A 21 0.752 -15.097 5.298 1.00 0.39 C ATOM 322 CE LYS A 21 1.162 -14.467 6.630 1.00 0.45 C ATOM 323 NZ LYS A 21 0.120 -14.753 7.658 1.00 1.78 N ATOM 0 H LYS A 21 -0.662 -12.856 2.393 1.00 0.26 H new ATOM 0 HA LYS A 21 0.825 -15.345 2.444 1.00 0.28 H new ATOM 0 HB2 LYS A 21 -2.031 -14.659 3.315 1.00 0.31 H new ATOM 0 HB3 LYS A 21 -1.152 -16.100 3.785 1.00 0.31 H new ATOM 0 HG2 LYS A 21 -0.007 -13.323 4.318 1.00 0.34 H new ATOM 0 HG3 LYS A 21 -1.141 -14.058 5.434 1.00 0.34 H new ATOM 0 HD2 LYS A 21 0.433 -16.128 5.454 1.00 0.39 H new ATOM 0 HD3 LYS A 21 1.604 -15.126 4.619 1.00 0.39 H new ATOM 0 HE2 LYS A 21 2.124 -14.865 6.952 1.00 0.45 H new ATOM 0 HE3 LYS A 21 1.286 -13.390 6.512 1.00 0.45 H new ATOM 0 HZ1 LYS A 21 0.532 -14.653 8.607 1.00 1.78 H new ATOM 0 HZ2 LYS A 21 -0.667 -14.082 7.550 1.00 1.78 H new ATOM 0 HZ3 LYS A 21 -0.233 -15.724 7.534 1.00 1.78 H new ATOM 337 N ASP A 22 -1.179 -15.046 0.078 1.00 0.23 N ATOM 338 CA ASP A 22 -1.830 -15.733 -1.082 1.00 0.18 C ATOM 339 C ASP A 22 -0.796 -15.978 -2.185 1.00 0.21 C ATOM 340 O ASP A 22 -1.111 -16.501 -3.236 1.00 0.19 O ATOM 341 CB ASP A 22 -2.951 -14.847 -1.628 1.00 0.16 C ATOM 342 CG ASP A 22 -4.145 -14.888 -0.672 1.00 0.40 C ATOM 343 OD1 ASP A 22 -4.955 -15.789 -0.805 1.00 1.49 O ATOM 344 OD2 ASP A 22 -4.226 -14.017 0.179 1.00 0.61 O ATOM 0 H ASP A 22 -1.055 -14.040 -0.035 1.00 0.23 H new ATOM 0 HA ASP A 22 -2.240 -16.688 -0.753 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -2.597 -13.822 -1.741 1.00 0.16 H new ATOM 0 HB3 ASP A 22 -3.252 -15.191 -2.618 1.00 0.16 H new ATOM 349 N GLY A 23 0.438 -15.606 -1.961 1.00 0.25 N ATOM 350 CA GLY A 23 1.483 -15.820 -3.003 1.00 0.28 C ATOM 351 C GLY A 23 0.958 -15.329 -4.349 1.00 0.24 C ATOM 352 O GLY A 23 1.435 -15.718 -5.396 1.00 0.24 O ATOM 0 H GLY A 23 0.766 -15.164 -1.102 1.00 0.25 H new ATOM 0 HA2 GLY A 23 2.394 -15.284 -2.737 1.00 0.28 H new ATOM 0 HA3 GLY A 23 1.742 -16.877 -3.064 1.00 0.28 H new ATOM 356 N ASP A 24 -0.032 -14.478 -4.322 1.00 0.20 N ATOM 357 CA ASP A 24 -0.614 -13.945 -5.594 1.00 0.16 C ATOM 358 C ASP A 24 -0.044 -12.551 -5.866 1.00 0.14 C ATOM 359 O ASP A 24 -0.426 -11.888 -6.809 1.00 0.18 O ATOM 360 CB ASP A 24 -2.138 -13.858 -5.456 1.00 0.15 C ATOM 361 CG ASP A 24 -2.771 -13.714 -6.840 1.00 0.20 C ATOM 362 OD1 ASP A 24 -2.835 -14.704 -7.549 1.00 1.24 O ATOM 363 OD2 ASP A 24 -3.184 -12.612 -7.169 1.00 0.89 O ATOM 0 H ASP A 24 -0.467 -14.125 -3.470 1.00 0.20 H new ATOM 0 HA ASP A 24 -0.361 -14.609 -6.421 1.00 0.16 H new ATOM 0 HB2 ASP A 24 -2.520 -14.751 -4.961 1.00 0.15 H new ATOM 0 HB3 ASP A 24 -2.409 -13.007 -4.831 1.00 0.15 H new ATOM 368 N GLY A 25 0.870 -12.100 -5.050 1.00 0.09 N ATOM 369 CA GLY A 25 1.458 -10.751 -5.272 1.00 0.07 C ATOM 370 C GLY A 25 0.420 -9.676 -4.927 1.00 0.07 C ATOM 371 O GLY A 25 0.451 -8.585 -5.460 1.00 0.07 O ATOM 0 H GLY A 25 1.233 -12.606 -4.242 1.00 0.09 H new ATOM 0 HA2 GLY A 25 2.347 -10.624 -4.654 1.00 0.07 H new ATOM 0 HA3 GLY A 25 1.774 -10.647 -6.310 1.00 0.07 H new ATOM 375 N THR A 26 -0.509 -9.971 -4.038 1.00 0.07 N ATOM 376 CA THR A 26 -1.549 -8.962 -3.666 1.00 0.07 C ATOM 377 C THR A 26 -1.805 -9.014 -2.158 1.00 0.06 C ATOM 378 O THR A 26 -1.400 -9.939 -1.479 1.00 0.06 O ATOM 379 CB THR A 26 -2.855 -9.265 -4.404 1.00 0.07 C ATOM 380 OG1 THR A 26 -3.389 -10.495 -3.933 1.00 0.08 O ATOM 381 CG2 THR A 26 -2.590 -9.361 -5.908 1.00 0.06 C ATOM 0 H THR A 26 -0.587 -10.867 -3.558 1.00 0.07 H new ATOM 0 HA THR A 26 -1.193 -7.970 -3.944 1.00 0.07 H new ATOM 0 HB THR A 26 -3.570 -8.463 -4.218 1.00 0.07 H new ATOM 0 HG1 THR A 26 -4.226 -10.690 -4.403 1.00 0.08 H new ATOM 0 HG21 THR A 26 -3.523 -9.577 -6.429 1.00 0.06 H new ATOM 0 HG22 THR A 26 -2.184 -8.415 -6.267 1.00 0.06 H new ATOM 0 HG23 THR A 26 -1.874 -10.160 -6.101 1.00 0.06 H new ATOM 389 N ILE A 27 -2.489 -8.033 -1.634 1.00 0.06 N ATOM 390 CA ILE A 27 -2.801 -8.009 -0.172 1.00 0.06 C ATOM 391 C ILE A 27 -4.230 -7.502 0.004 1.00 0.06 C ATOM 392 O ILE A 27 -4.807 -6.934 -0.902 1.00 0.07 O ATOM 393 CB ILE A 27 -1.827 -7.075 0.560 1.00 0.07 C ATOM 394 CG1 ILE A 27 -1.924 -5.661 -0.031 1.00 0.06 C ATOM 395 CG2 ILE A 27 -0.397 -7.601 0.408 1.00 0.08 C ATOM 396 CD1 ILE A 27 -0.935 -4.737 0.682 1.00 0.03 C ATOM 0 H ILE A 27 -2.850 -7.238 -2.161 1.00 0.06 H new ATOM 0 HA ILE A 27 -2.700 -9.011 0.246 1.00 0.06 H new ATOM 0 HB ILE A 27 -2.087 -7.041 1.618 1.00 0.07 H new ATOM 0 HG12 ILE A 27 -1.708 -5.687 -1.099 1.00 0.06 H new ATOM 0 HG13 ILE A 27 -2.939 -5.279 0.080 1.00 0.06 H new ATOM 0 HG21 ILE A 27 0.292 -6.936 0.928 1.00 0.08 H new ATOM 0 HG22 ILE A 27 -0.330 -8.601 0.836 1.00 0.08 H new ATOM 0 HG23 ILE A 27 -0.134 -7.641 -0.649 1.00 0.08 H new ATOM 0 HD11 ILE A 27 -1.006 -3.734 0.261 1.00 0.03 H new ATOM 0 HD12 ILE A 27 -1.172 -4.702 1.745 1.00 0.03 H new ATOM 0 HD13 ILE A 27 0.078 -5.116 0.548 1.00 0.03 H new ATOM 408 N THR A 28 -4.815 -7.701 1.152 1.00 0.05 N ATOM 409 CA THR A 28 -6.211 -7.224 1.361 1.00 0.05 C ATOM 410 C THR A 28 -6.200 -5.795 1.895 1.00 0.07 C ATOM 411 O THR A 28 -5.186 -5.288 2.328 1.00 0.07 O ATOM 412 CB THR A 28 -6.919 -8.108 2.381 1.00 0.05 C ATOM 413 OG1 THR A 28 -6.625 -7.642 3.694 1.00 0.07 O ATOM 414 CG2 THR A 28 -6.441 -9.548 2.233 1.00 0.04 C ATOM 0 H THR A 28 -4.390 -8.171 1.951 1.00 0.05 H new ATOM 0 HA THR A 28 -6.733 -7.264 0.405 1.00 0.05 H new ATOM 0 HB THR A 28 -7.995 -8.067 2.211 1.00 0.05 H new ATOM 0 HG1 THR A 28 -6.797 -8.358 4.341 1.00 0.07 H new ATOM 0 HG21 THR A 28 -6.949 -10.177 2.964 1.00 0.04 H new ATOM 0 HG22 THR A 28 -6.666 -9.905 1.228 1.00 0.04 H new ATOM 0 HG23 THR A 28 -5.365 -9.593 2.401 1.00 0.04 H new ATOM 422 N THR A 29 -7.333 -5.156 1.884 1.00 0.09 N ATOM 423 CA THR A 29 -7.410 -3.774 2.412 1.00 0.12 C ATOM 424 C THR A 29 -7.234 -3.812 3.936 1.00 0.13 C ATOM 425 O THR A 29 -6.757 -2.871 4.540 1.00 0.16 O ATOM 426 CB THR A 29 -8.787 -3.191 2.065 1.00 0.12 C ATOM 427 OG1 THR A 29 -9.771 -4.204 2.207 1.00 0.10 O ATOM 428 CG2 THR A 29 -8.793 -2.677 0.623 1.00 0.13 C ATOM 0 H THR A 29 -8.211 -5.535 1.530 1.00 0.09 H new ATOM 0 HA THR A 29 -6.628 -3.155 1.972 1.00 0.12 H new ATOM 0 HB THR A 29 -9.006 -2.362 2.739 1.00 0.12 H new ATOM 0 HG1 THR A 29 -10.653 -3.837 1.988 1.00 0.10 H new ATOM 0 HG21 THR A 29 -9.775 -2.266 0.387 1.00 0.13 H new ATOM 0 HG22 THR A 29 -8.037 -1.900 0.511 1.00 0.13 H new ATOM 0 HG23 THR A 29 -8.571 -3.499 -0.057 1.00 0.13 H new ATOM 436 N LYS A 30 -7.618 -4.895 4.556 1.00 0.13 N ATOM 437 CA LYS A 30 -7.483 -5.001 6.036 1.00 0.15 C ATOM 438 C LYS A 30 -6.009 -4.925 6.430 1.00 0.12 C ATOM 439 O LYS A 30 -5.672 -4.526 7.528 1.00 0.14 O ATOM 440 CB LYS A 30 -8.062 -6.340 6.506 1.00 0.17 C ATOM 441 CG LYS A 30 -9.569 -6.405 6.201 1.00 0.25 C ATOM 442 CD LYS A 30 -10.367 -5.707 7.311 1.00 1.48 C ATOM 443 CE LYS A 30 -11.864 -5.900 7.061 1.00 1.49 C ATOM 444 NZ LYS A 30 -12.625 -5.448 8.258 1.00 2.44 N ATOM 0 H LYS A 30 -8.021 -5.713 4.099 1.00 0.13 H new ATOM 0 HA LYS A 30 -8.025 -4.179 6.504 1.00 0.15 H new ATOM 0 HB2 LYS A 30 -7.547 -7.162 6.008 1.00 0.17 H new ATOM 0 HB3 LYS A 30 -7.895 -6.461 7.576 1.00 0.17 H new ATOM 0 HG2 LYS A 30 -9.774 -5.929 5.242 1.00 0.25 H new ATOM 0 HG3 LYS A 30 -9.885 -7.445 6.115 1.00 0.25 H new ATOM 0 HD2 LYS A 30 -10.094 -6.117 8.283 1.00 1.48 H new ATOM 0 HD3 LYS A 30 -10.125 -4.644 7.334 1.00 1.48 H new ATOM 0 HE2 LYS A 30 -12.174 -5.333 6.183 1.00 1.49 H new ATOM 0 HE3 LYS A 30 -12.078 -6.949 6.855 1.00 1.49 H new ATOM 0 HZ1 LYS A 30 -13.643 -5.578 8.091 1.00 2.44 H new ATOM 0 HZ2 LYS A 30 -12.335 -6.008 9.085 1.00 2.44 H new ATOM 0 HZ3 LYS A 30 -12.429 -4.442 8.435 1.00 2.44 H new ATOM 458 N GLU A 31 -5.126 -5.316 5.550 1.00 0.09 N ATOM 459 CA GLU A 31 -3.662 -5.279 5.882 1.00 0.07 C ATOM 460 C GLU A 31 -3.008 -4.032 5.275 1.00 0.11 C ATOM 461 O GLU A 31 -1.830 -3.807 5.445 1.00 0.30 O ATOM 462 CB GLU A 31 -2.977 -6.521 5.307 1.00 0.03 C ATOM 463 CG GLU A 31 -3.669 -7.786 5.820 1.00 0.07 C ATOM 464 CD GLU A 31 -3.196 -8.990 5.005 1.00 0.06 C ATOM 465 OE1 GLU A 31 -2.929 -8.814 3.827 1.00 0.36 O ATOM 466 OE2 GLU A 31 -3.109 -10.066 5.571 1.00 0.28 O ATOM 0 H GLU A 31 -5.350 -5.660 4.616 1.00 0.09 H new ATOM 0 HA GLU A 31 -3.552 -5.254 6.966 1.00 0.07 H new ATOM 0 HB2 GLU A 31 -3.012 -6.494 4.218 1.00 0.03 H new ATOM 0 HB3 GLU A 31 -1.925 -6.531 5.592 1.00 0.03 H new ATOM 0 HG2 GLU A 31 -3.442 -7.936 6.875 1.00 0.07 H new ATOM 0 HG3 GLU A 31 -4.751 -7.680 5.739 1.00 0.07 H new ATOM 473 N LEU A 32 -3.748 -3.224 4.569 1.00 0.12 N ATOM 474 CA LEU A 32 -3.136 -2.008 3.960 1.00 0.10 C ATOM 475 C LEU A 32 -2.520 -1.132 5.057 1.00 0.11 C ATOM 476 O LEU A 32 -1.382 -0.717 4.962 1.00 0.10 O ATOM 477 CB LEU A 32 -4.210 -1.217 3.201 1.00 0.12 C ATOM 478 CG LEU A 32 -3.651 0.136 2.731 1.00 0.10 C ATOM 479 CD1 LEU A 32 -2.341 -0.073 1.960 1.00 0.06 C ATOM 480 CD2 LEU A 32 -4.679 0.816 1.817 1.00 0.11 C ATOM 0 H LEU A 32 -4.744 -3.350 4.387 1.00 0.12 H new ATOM 0 HA LEU A 32 -2.353 -2.308 3.264 1.00 0.10 H new ATOM 0 HB2 LEU A 32 -4.555 -1.793 2.342 1.00 0.12 H new ATOM 0 HB3 LEU A 32 -5.075 -1.056 3.845 1.00 0.12 H new ATOM 0 HG LEU A 32 -3.454 0.764 3.600 1.00 0.10 H new ATOM 0 HD11 LEU A 32 -1.954 0.892 1.632 1.00 0.06 H new ATOM 0 HD12 LEU A 32 -1.610 -0.556 2.609 1.00 0.06 H new ATOM 0 HD13 LEU A 32 -2.527 -0.704 1.091 1.00 0.06 H new ATOM 0 HD21 LEU A 32 -4.288 1.776 1.481 1.00 0.11 H new ATOM 0 HD22 LEU A 32 -4.874 0.181 0.953 1.00 0.11 H new ATOM 0 HD23 LEU A 32 -5.606 0.975 2.367 1.00 0.11 H new ATOM 492 N GLY A 33 -3.260 -0.840 6.093 1.00 0.15 N ATOM 493 CA GLY A 33 -2.710 0.015 7.181 1.00 0.18 C ATOM 494 C GLY A 33 -1.501 -0.666 7.825 1.00 0.10 C ATOM 495 O GLY A 33 -0.621 -0.015 8.349 1.00 0.14 O ATOM 0 H GLY A 33 -4.220 -1.157 6.232 1.00 0.15 H new ATOM 0 HA2 GLY A 33 -2.419 0.986 6.779 1.00 0.18 H new ATOM 0 HA3 GLY A 33 -3.477 0.198 7.933 1.00 0.18 H new ATOM 499 N THR A 34 -1.444 -1.969 7.799 1.00 0.04 N ATOM 500 CA THR A 34 -0.284 -2.666 8.424 1.00 0.08 C ATOM 501 C THR A 34 0.958 -2.488 7.547 1.00 0.12 C ATOM 502 O THR A 34 2.039 -2.229 8.036 1.00 0.22 O ATOM 503 CB THR A 34 -0.604 -4.159 8.588 1.00 0.14 C ATOM 504 OG1 THR A 34 -1.959 -4.305 8.992 1.00 0.13 O ATOM 505 CG2 THR A 34 0.310 -4.778 9.648 1.00 0.22 C ATOM 0 H THR A 34 -2.144 -2.578 7.376 1.00 0.04 H new ATOM 0 HA THR A 34 -0.090 -2.235 9.406 1.00 0.08 H new ATOM 0 HB THR A 34 -0.443 -4.667 7.637 1.00 0.14 H new ATOM 0 HG1 THR A 34 -2.169 -5.257 9.096 1.00 0.13 H new ATOM 0 HG21 THR A 34 0.075 -5.837 9.757 1.00 0.22 H new ATOM 0 HG22 THR A 34 1.350 -4.666 9.342 1.00 0.22 H new ATOM 0 HG23 THR A 34 0.156 -4.272 10.601 1.00 0.22 H new ATOM 513 N VAL A 35 0.812 -2.614 6.258 1.00 0.08 N ATOM 514 CA VAL A 35 1.990 -2.436 5.361 1.00 0.13 C ATOM 515 C VAL A 35 2.517 -1.009 5.521 1.00 0.13 C ATOM 516 O VAL A 35 3.679 -0.789 5.810 1.00 0.11 O ATOM 517 CB VAL A 35 1.569 -2.670 3.907 1.00 0.16 C ATOM 518 CG1 VAL A 35 2.766 -2.447 2.982 1.00 0.19 C ATOM 519 CG2 VAL A 35 1.073 -4.107 3.744 1.00 0.17 C ATOM 0 H VAL A 35 -0.067 -2.831 5.787 1.00 0.08 H new ATOM 0 HA VAL A 35 2.769 -3.151 5.624 1.00 0.13 H new ATOM 0 HB VAL A 35 0.772 -1.973 3.649 1.00 0.16 H new ATOM 0 HG11 VAL A 35 2.463 -2.614 1.948 1.00 0.19 H new ATOM 0 HG12 VAL A 35 3.127 -1.424 3.094 1.00 0.19 H new ATOM 0 HG13 VAL A 35 3.563 -3.143 3.244 1.00 0.19 H new ATOM 0 HG21 VAL A 35 0.773 -4.273 2.709 1.00 0.17 H new ATOM 0 HG22 VAL A 35 1.873 -4.800 4.006 1.00 0.17 H new ATOM 0 HG23 VAL A 35 0.219 -4.274 4.400 1.00 0.17 H new ATOM 529 N MET A 36 1.668 -0.035 5.348 1.00 0.18 N ATOM 530 CA MET A 36 2.116 1.375 5.499 1.00 0.18 C ATOM 531 C MET A 36 2.796 1.544 6.862 1.00 0.19 C ATOM 532 O MET A 36 3.774 2.253 6.993 1.00 0.21 O ATOM 533 CB MET A 36 0.897 2.300 5.414 1.00 0.16 C ATOM 534 CG MET A 36 0.474 2.494 3.945 1.00 0.18 C ATOM 535 SD MET A 36 1.298 3.954 3.262 1.00 0.64 S ATOM 536 CE MET A 36 0.003 4.419 2.088 1.00 0.22 C ATOM 0 H MET A 36 0.684 -0.155 5.109 1.00 0.18 H new ATOM 0 HA MET A 36 2.822 1.628 4.708 1.00 0.18 H new ATOM 0 HB2 MET A 36 0.070 1.877 5.985 1.00 0.16 H new ATOM 0 HB3 MET A 36 1.133 3.265 5.862 1.00 0.16 H new ATOM 0 HG2 MET A 36 0.735 1.611 3.362 1.00 0.18 H new ATOM 0 HG3 MET A 36 -0.608 2.611 3.880 1.00 0.18 H new ATOM 0 HE1 MET A 36 0.459 4.733 1.149 1.00 0.22 H new ATOM 0 HE2 MET A 36 -0.648 3.564 1.907 1.00 0.22 H new ATOM 0 HE3 MET A 36 -0.583 5.241 2.500 1.00 0.22 H new ATOM 546 N ARG A 37 2.284 0.901 7.881 1.00 0.18 N ATOM 547 CA ARG A 37 2.902 1.036 9.231 1.00 0.20 C ATOM 548 C ARG A 37 4.280 0.376 9.235 1.00 0.17 C ATOM 549 O ARG A 37 5.164 0.778 9.966 1.00 0.15 O ATOM 550 CB ARG A 37 1.993 0.384 10.286 1.00 0.23 C ATOM 551 CG ARG A 37 0.869 1.356 10.661 1.00 0.31 C ATOM 552 CD ARG A 37 -0.052 0.712 11.701 1.00 0.60 C ATOM 553 NE ARG A 37 -0.808 -0.407 11.068 1.00 2.19 N ATOM 554 CZ ARG A 37 -1.456 -1.260 11.811 1.00 2.66 C ATOM 555 NH1 ARG A 37 -1.463 -1.122 13.110 1.00 1.98 N ATOM 556 NH2 ARG A 37 -2.105 -2.249 11.259 1.00 4.14 N ATOM 0 H ARG A 37 1.468 0.291 7.835 1.00 0.18 H new ATOM 0 HA ARG A 37 3.018 2.092 9.473 1.00 0.20 H new ATOM 0 HB2 ARG A 37 1.572 -0.543 9.896 1.00 0.23 H new ATOM 0 HB3 ARG A 37 2.574 0.123 11.171 1.00 0.23 H new ATOM 0 HG2 ARG A 37 1.292 2.279 11.059 1.00 0.31 H new ATOM 0 HG3 ARG A 37 0.297 1.624 9.773 1.00 0.31 H new ATOM 0 HD2 ARG A 37 0.534 0.340 12.541 1.00 0.60 H new ATOM 0 HD3 ARG A 37 -0.744 1.454 12.099 1.00 0.60 H new ATOM 0 HE ARG A 37 -0.818 -0.505 10.053 1.00 2.19 H new ATOM 0 HH11 ARG A 37 -0.961 -0.347 13.543 1.00 1.98 H new ATOM 0 HH12 ARG A 37 -1.970 -1.790 13.691 1.00 1.98 H new ATOM 0 HH21 ARG A 37 -2.106 -2.355 10.245 1.00 4.14 H new ATOM 0 HH22 ARG A 37 -2.611 -2.915 11.842 1.00 4.14 H new ATOM 570 N SER A 38 4.488 -0.620 8.423 1.00 0.18 N ATOM 571 CA SER A 38 5.825 -1.271 8.397 1.00 0.16 C ATOM 572 C SER A 38 6.850 -0.271 7.855 1.00 0.20 C ATOM 573 O SER A 38 8.029 -0.364 8.134 1.00 0.33 O ATOM 574 CB SER A 38 5.785 -2.513 7.506 1.00 0.13 C ATOM 575 OG SER A 38 5.596 -2.119 6.152 1.00 0.37 O ATOM 0 H SER A 38 3.797 -1.009 7.781 1.00 0.18 H new ATOM 0 HA SER A 38 6.105 -1.576 9.405 1.00 0.16 H new ATOM 0 HB2 SER A 38 6.713 -3.076 7.606 1.00 0.13 H new ATOM 0 HB3 SER A 38 4.977 -3.173 7.820 1.00 0.13 H new ATOM 0 HG SER A 38 5.016 -1.330 6.119 1.00 0.37 H new ATOM 581 N LEU A 39 6.408 0.690 7.082 1.00 0.15 N ATOM 582 CA LEU A 39 7.356 1.703 6.525 1.00 0.16 C ATOM 583 C LEU A 39 7.510 2.866 7.511 1.00 0.17 C ATOM 584 O LEU A 39 8.235 3.808 7.261 1.00 0.20 O ATOM 585 CB LEU A 39 6.820 2.228 5.192 1.00 0.16 C ATOM 586 CG LEU A 39 6.400 1.051 4.308 1.00 0.19 C ATOM 587 CD1 LEU A 39 5.894 1.580 2.965 1.00 0.16 C ATOM 588 CD2 LEU A 39 7.602 0.123 4.073 1.00 0.25 C ATOM 0 H LEU A 39 5.432 0.816 6.813 1.00 0.15 H new ATOM 0 HA LEU A 39 8.328 1.236 6.366 1.00 0.16 H new ATOM 0 HB2 LEU A 39 5.970 2.888 5.365 1.00 0.16 H new ATOM 0 HB3 LEU A 39 7.585 2.819 4.688 1.00 0.16 H new ATOM 0 HG LEU A 39 5.606 0.492 4.804 1.00 0.19 H new ATOM 0 HD11 LEU A 39 5.594 0.743 2.334 1.00 0.16 H new ATOM 0 HD12 LEU A 39 5.038 2.234 3.131 1.00 0.16 H new ATOM 0 HD13 LEU A 39 6.689 2.140 2.472 1.00 0.16 H new ATOM 0 HD21 LEU A 39 7.298 -0.713 3.443 1.00 0.25 H new ATOM 0 HD22 LEU A 39 8.399 0.678 3.579 1.00 0.25 H new ATOM 0 HD23 LEU A 39 7.962 -0.255 5.030 1.00 0.25 H new ATOM 600 N GLY A 40 6.847 2.806 8.638 1.00 0.17 N ATOM 601 CA GLY A 40 6.976 3.905 9.646 1.00 0.21 C ATOM 602 C GLY A 40 5.906 4.985 9.420 1.00 0.16 C ATOM 603 O GLY A 40 6.010 6.078 9.943 1.00 0.15 O ATOM 0 H GLY A 40 6.222 2.045 8.905 1.00 0.17 H new ATOM 0 HA2 GLY A 40 6.878 3.495 10.651 1.00 0.21 H new ATOM 0 HA3 GLY A 40 7.968 4.351 9.579 1.00 0.21 H new ATOM 607 N GLN A 41 4.879 4.696 8.660 1.00 0.14 N ATOM 608 CA GLN A 41 3.804 5.716 8.421 1.00 0.12 C ATOM 609 C GLN A 41 2.618 5.411 9.339 1.00 0.13 C ATOM 610 O GLN A 41 2.335 4.269 9.629 1.00 0.17 O ATOM 611 CB GLN A 41 3.345 5.641 6.963 1.00 0.14 C ATOM 612 CG GLN A 41 4.545 5.852 6.039 1.00 0.14 C ATOM 613 CD GLN A 41 5.115 7.258 6.249 1.00 1.09 C ATOM 614 OE1 GLN A 41 6.283 7.413 6.547 1.00 2.30 O ATOM 615 NE2 GLN A 41 4.337 8.296 6.102 1.00 1.46 N ATOM 0 H GLN A 41 4.736 3.800 8.194 1.00 0.14 H new ATOM 0 HA GLN A 41 4.190 6.714 8.629 1.00 0.12 H new ATOM 0 HB2 GLN A 41 2.886 4.673 6.765 1.00 0.14 H new ATOM 0 HB3 GLN A 41 2.586 6.399 6.770 1.00 0.14 H new ATOM 0 HG2 GLN A 41 5.311 5.104 6.244 1.00 0.14 H new ATOM 0 HG3 GLN A 41 4.243 5.722 5.000 1.00 0.14 H new ATOM 0 HE21 GLN A 41 3.357 8.167 5.852 1.00 1.46 H new ATOM 0 HE22 GLN A 41 4.710 9.236 6.237 1.00 1.46 H new ATOM 624 N ASN A 42 1.921 6.419 9.810 1.00 0.13 N ATOM 625 CA ASN A 42 0.754 6.170 10.721 1.00 0.17 C ATOM 626 C ASN A 42 -0.448 7.031 10.303 1.00 0.14 C ATOM 627 O ASN A 42 -0.776 7.986 10.979 1.00 0.12 O ATOM 628 CB ASN A 42 1.155 6.536 12.153 1.00 0.23 C ATOM 629 CG ASN A 42 0.144 5.943 13.139 1.00 0.32 C ATOM 630 OD1 ASN A 42 0.216 4.777 13.471 1.00 1.49 O ATOM 631 ND2 ASN A 42 -0.799 6.703 13.623 1.00 1.16 N ATOM 0 H ASN A 42 2.108 7.400 9.605 1.00 0.13 H new ATOM 0 HA ASN A 42 0.474 5.118 10.660 1.00 0.17 H new ATOM 0 HB2 ASN A 42 2.154 6.157 12.369 1.00 0.23 H new ATOM 0 HB3 ASN A 42 1.194 7.620 12.265 1.00 0.23 H new ATOM 0 HD21 ASN A 42 -1.477 6.318 14.281 1.00 1.16 H new ATOM 0 HD22 ASN A 42 -0.859 7.682 13.344 1.00 1.16 H new ATOM 638 N PRO A 43 -1.088 6.668 9.208 1.00 0.15 N ATOM 639 CA PRO A 43 -2.266 7.407 8.719 1.00 0.19 C ATOM 640 C PRO A 43 -3.467 7.071 9.616 1.00 0.24 C ATOM 641 O PRO A 43 -3.576 5.970 10.115 1.00 0.24 O ATOM 642 CB PRO A 43 -2.489 6.878 7.285 1.00 0.19 C ATOM 643 CG PRO A 43 -1.593 5.615 7.115 1.00 0.20 C ATOM 644 CD PRO A 43 -0.693 5.514 8.369 1.00 0.17 C ATOM 0 HA PRO A 43 -2.137 8.489 8.732 1.00 0.19 H new ATOM 0 HB2 PRO A 43 -3.538 6.630 7.125 1.00 0.19 H new ATOM 0 HB3 PRO A 43 -2.226 7.638 6.549 1.00 0.19 H new ATOM 0 HG2 PRO A 43 -2.207 4.720 7.010 1.00 0.20 H new ATOM 0 HG3 PRO A 43 -0.987 5.693 6.213 1.00 0.20 H new ATOM 0 HD2 PRO A 43 -0.849 4.571 8.893 1.00 0.17 H new ATOM 0 HD3 PRO A 43 0.363 5.560 8.103 1.00 0.17 H new ATOM 652 N THR A 44 -4.373 7.987 9.817 1.00 0.32 N ATOM 653 CA THR A 44 -5.546 7.657 10.672 1.00 0.39 C ATOM 654 C THR A 44 -6.428 6.660 9.923 1.00 0.38 C ATOM 655 O THR A 44 -6.269 6.440 8.739 1.00 0.24 O ATOM 656 CB THR A 44 -6.358 8.913 10.981 1.00 0.49 C ATOM 657 OG1 THR A 44 -6.716 9.557 9.770 1.00 0.49 O ATOM 658 CG2 THR A 44 -5.526 9.864 11.844 1.00 0.52 C ATOM 0 H THR A 44 -4.354 8.932 9.434 1.00 0.32 H new ATOM 0 HA THR A 44 -5.196 7.230 11.612 1.00 0.39 H new ATOM 0 HB THR A 44 -7.262 8.635 11.522 1.00 0.49 H new ATOM 0 HG1 THR A 44 -7.238 10.362 9.970 1.00 0.49 H new ATOM 0 HG21 THR A 44 -6.108 10.759 12.063 1.00 0.52 H new ATOM 0 HG22 THR A 44 -5.258 9.368 12.777 1.00 0.52 H new ATOM 0 HG23 THR A 44 -4.619 10.143 11.308 1.00 0.52 H new ATOM 666 N GLU A 45 -7.350 6.051 10.607 1.00 0.55 N ATOM 667 CA GLU A 45 -8.239 5.060 9.943 1.00 0.57 C ATOM 668 C GLU A 45 -9.027 5.737 8.819 1.00 0.55 C ATOM 669 O GLU A 45 -9.171 5.195 7.743 1.00 0.48 O ATOM 670 CB GLU A 45 -9.205 4.491 10.983 1.00 0.72 C ATOM 671 CG GLU A 45 -8.484 3.444 11.837 1.00 0.81 C ATOM 672 CD GLU A 45 -8.308 2.156 11.030 1.00 2.05 C ATOM 673 OE1 GLU A 45 -9.219 1.812 10.294 1.00 2.69 O ATOM 674 OE2 GLU A 45 -7.267 1.534 11.163 1.00 3.16 O ATOM 0 H GLU A 45 -7.528 6.196 11.601 1.00 0.55 H new ATOM 0 HA GLU A 45 -7.640 4.256 9.515 1.00 0.57 H new ATOM 0 HB2 GLU A 45 -9.586 5.292 11.617 1.00 0.72 H new ATOM 0 HB3 GLU A 45 -10.065 4.041 10.487 1.00 0.72 H new ATOM 0 HG2 GLU A 45 -7.512 3.824 12.152 1.00 0.81 H new ATOM 0 HG3 GLU A 45 -9.056 3.242 12.743 1.00 0.81 H new ATOM 681 N ALA A 46 -9.542 6.909 9.055 1.00 0.66 N ATOM 682 CA ALA A 46 -10.319 7.594 7.989 1.00 0.69 C ATOM 683 C ALA A 46 -9.400 7.885 6.803 1.00 0.58 C ATOM 684 O ALA A 46 -9.795 7.754 5.660 1.00 0.56 O ATOM 685 CB ALA A 46 -10.910 8.899 8.531 1.00 0.84 C ATOM 0 H ALA A 46 -9.459 7.419 9.934 1.00 0.66 H new ATOM 0 HA ALA A 46 -11.136 6.950 7.663 1.00 0.69 H new ATOM 0 HB1 ALA A 46 -11.478 9.396 7.744 1.00 0.84 H new ATOM 0 HB2 ALA A 46 -11.569 8.679 9.371 1.00 0.84 H new ATOM 0 HB3 ALA A 46 -10.104 9.553 8.864 1.00 0.84 H new ATOM 691 N GLU A 47 -8.174 8.253 7.052 1.00 0.54 N ATOM 692 CA GLU A 47 -7.252 8.516 5.915 1.00 0.47 C ATOM 693 C GLU A 47 -7.157 7.236 5.088 1.00 0.34 C ATOM 694 O GLU A 47 -7.153 7.266 3.875 1.00 0.39 O ATOM 695 CB GLU A 47 -5.858 8.890 6.438 1.00 0.45 C ATOM 696 CG GLU A 47 -5.815 10.374 6.821 1.00 0.48 C ATOM 697 CD GLU A 47 -4.376 10.770 7.154 1.00 0.24 C ATOM 698 OE1 GLU A 47 -3.643 11.087 6.232 1.00 0.26 O ATOM 699 OE2 GLU A 47 -4.031 10.748 8.322 1.00 0.43 O ATOM 0 H GLU A 47 -7.775 8.382 7.982 1.00 0.54 H new ATOM 0 HA GLU A 47 -7.627 9.342 5.311 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -5.610 8.276 7.304 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -5.108 8.682 5.675 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -6.191 10.984 6.000 1.00 0.48 H new ATOM 0 HG3 GLU A 47 -6.463 10.559 7.678 1.00 0.48 H new ATOM 706 N LEU A 48 -7.087 6.108 5.740 1.00 0.23 N ATOM 707 CA LEU A 48 -6.995 4.826 4.993 1.00 0.10 C ATOM 708 C LEU A 48 -8.325 4.547 4.289 1.00 0.11 C ATOM 709 O LEU A 48 -8.361 4.247 3.115 1.00 0.11 O ATOM 710 CB LEU A 48 -6.691 3.679 5.966 1.00 0.21 C ATOM 711 CG LEU A 48 -5.231 3.742 6.442 1.00 0.11 C ATOM 712 CD1 LEU A 48 -5.011 2.658 7.505 1.00 0.51 C ATOM 713 CD2 LEU A 48 -4.263 3.513 5.261 1.00 0.44 C ATOM 0 H LEU A 48 -7.090 6.021 6.756 1.00 0.23 H new ATOM 0 HA LEU A 48 -6.196 4.899 4.255 1.00 0.10 H new ATOM 0 HB2 LEU A 48 -7.361 3.736 6.824 1.00 0.21 H new ATOM 0 HB3 LEU A 48 -6.879 2.722 5.478 1.00 0.21 H new ATOM 0 HG LEU A 48 -5.033 4.728 6.862 1.00 0.11 H new ATOM 0 HD11 LEU A 48 -3.978 2.692 7.851 1.00 0.51 H new ATOM 0 HD12 LEU A 48 -5.682 2.832 8.346 1.00 0.51 H new ATOM 0 HD13 LEU A 48 -5.217 1.678 7.074 1.00 0.51 H new ATOM 0 HD21 LEU A 48 -3.235 3.561 5.619 1.00 0.44 H new ATOM 0 HD22 LEU A 48 -4.449 2.532 4.823 1.00 0.44 H new ATOM 0 HD23 LEU A 48 -4.421 4.283 4.506 1.00 0.44 H new ATOM 725 N GLN A 49 -9.417 4.637 4.996 1.00 0.28 N ATOM 726 CA GLN A 49 -10.736 4.359 4.355 1.00 0.29 C ATOM 727 C GLN A 49 -10.956 5.320 3.183 1.00 0.28 C ATOM 728 O GLN A 49 -11.748 5.062 2.298 1.00 0.27 O ATOM 729 CB GLN A 49 -11.858 4.555 5.381 1.00 0.38 C ATOM 730 CG GLN A 49 -11.916 3.359 6.346 1.00 0.42 C ATOM 731 CD GLN A 49 -13.247 3.377 7.099 1.00 0.97 C ATOM 732 OE1 GLN A 49 -14.298 3.466 6.495 1.00 1.48 O ATOM 733 NE2 GLN A 49 -13.248 3.296 8.402 1.00 1.90 N ATOM 0 H GLN A 49 -9.455 4.889 5.984 1.00 0.28 H new ATOM 0 HA GLN A 49 -10.745 3.332 3.991 1.00 0.29 H new ATOM 0 HB2 GLN A 49 -11.691 5.475 5.941 1.00 0.38 H new ATOM 0 HB3 GLN A 49 -12.814 4.664 4.868 1.00 0.38 H new ATOM 0 HG2 GLN A 49 -11.811 2.426 5.793 1.00 0.42 H new ATOM 0 HG3 GLN A 49 -11.086 3.406 7.051 1.00 0.42 H new ATOM 0 HE21 GLN A 49 -12.366 3.221 8.909 1.00 1.90 H new ATOM 0 HE22 GLN A 49 -14.131 3.307 8.913 1.00 1.90 H new ATOM 742 N ASP A 50 -10.267 6.425 3.170 1.00 0.31 N ATOM 743 CA ASP A 50 -10.450 7.398 2.057 1.00 0.34 C ATOM 744 C ASP A 50 -9.662 6.928 0.837 1.00 0.29 C ATOM 745 O ASP A 50 -10.207 6.741 -0.234 1.00 0.32 O ATOM 746 CB ASP A 50 -9.942 8.773 2.492 1.00 0.48 C ATOM 747 CG ASP A 50 -10.902 9.376 3.520 1.00 1.63 C ATOM 748 OD1 ASP A 50 -11.802 8.669 3.947 1.00 2.50 O ATOM 749 OD2 ASP A 50 -10.721 10.531 3.867 1.00 1.95 O ATOM 0 H ASP A 50 -9.586 6.697 3.879 1.00 0.31 H new ATOM 0 HA ASP A 50 -11.508 7.465 1.804 1.00 0.34 H new ATOM 0 HB2 ASP A 50 -8.944 8.684 2.921 1.00 0.48 H new ATOM 0 HB3 ASP A 50 -9.860 9.431 1.627 1.00 0.48 H new ATOM 890 N GLY A 61 -11.955 -5.277 -2.985 1.00 0.10 N ATOM 891 CA GLY A 61 -11.465 -5.145 -1.580 1.00 0.09 C ATOM 892 C GLY A 61 -10.027 -5.665 -1.461 1.00 0.09 C ATOM 893 O GLY A 61 -9.628 -6.171 -0.430 1.00 0.10 O ATOM 0 HA2 GLY A 61 -11.507 -4.101 -1.271 1.00 0.09 H new ATOM 0 HA3 GLY A 61 -12.117 -5.703 -0.908 1.00 0.09 H new ATOM 897 N THR A 62 -9.244 -5.548 -2.505 1.00 0.09 N ATOM 898 CA THR A 62 -7.829 -6.032 -2.458 1.00 0.10 C ATOM 899 C THR A 62 -6.928 -5.032 -3.190 1.00 0.08 C ATOM 900 O THR A 62 -7.401 -4.141 -3.868 1.00 0.09 O ATOM 901 CB THR A 62 -7.737 -7.393 -3.148 1.00 0.14 C ATOM 902 OG1 THR A 62 -8.350 -7.319 -4.427 1.00 0.21 O ATOM 903 CG2 THR A 62 -8.448 -8.444 -2.295 1.00 0.23 C ATOM 0 H THR A 62 -9.526 -5.135 -3.394 1.00 0.09 H new ATOM 0 HA THR A 62 -7.508 -6.125 -1.421 1.00 0.10 H new ATOM 0 HB THR A 62 -6.690 -7.672 -3.267 1.00 0.14 H new ATOM 0 HG1 THR A 62 -8.289 -8.191 -4.870 1.00 0.21 H new ATOM 0 HG21 THR A 62 -8.383 -9.415 -2.786 1.00 0.23 H new ATOM 0 HG22 THR A 62 -7.973 -8.500 -1.316 1.00 0.23 H new ATOM 0 HG23 THR A 62 -9.495 -8.167 -2.175 1.00 0.23 H new ATOM 911 N ILE A 63 -5.631 -5.168 -3.058 1.00 0.08 N ATOM 912 CA ILE A 63 -4.692 -4.224 -3.743 1.00 0.09 C ATOM 913 C ILE A 63 -3.492 -5.009 -4.282 1.00 0.09 C ATOM 914 O ILE A 63 -2.947 -5.858 -3.608 1.00 0.08 O ATOM 915 CB ILE A 63 -4.203 -3.176 -2.733 1.00 0.10 C ATOM 916 CG1 ILE A 63 -5.380 -2.773 -1.826 1.00 0.13 C ATOM 917 CG2 ILE A 63 -3.646 -1.944 -3.472 1.00 0.13 C ATOM 918 CD1 ILE A 63 -4.964 -1.655 -0.867 1.00 0.13 C ATOM 0 H ILE A 63 -5.180 -5.895 -2.503 1.00 0.08 H new ATOM 0 HA ILE A 63 -5.204 -3.727 -4.567 1.00 0.09 H new ATOM 0 HB ILE A 63 -3.402 -3.596 -2.124 1.00 0.10 H new ATOM 0 HG12 ILE A 63 -6.220 -2.442 -2.437 1.00 0.13 H new ATOM 0 HG13 ILE A 63 -5.721 -3.638 -1.258 1.00 0.13 H new ATOM 0 HG21 ILE A 63 -3.303 -1.208 -2.745 1.00 0.13 H new ATOM 0 HG22 ILE A 63 -2.811 -2.246 -4.105 1.00 0.13 H new ATOM 0 HG23 ILE A 63 -4.430 -1.505 -4.090 1.00 0.13 H new ATOM 0 HD11 ILE A 63 -5.810 -1.385 -0.235 1.00 0.13 H new ATOM 0 HD12 ILE A 63 -4.140 -1.999 -0.243 1.00 0.13 H new ATOM 0 HD13 ILE A 63 -4.646 -0.784 -1.440 1.00 0.13 H new ATOM 930 N ASP A 64 -3.072 -4.720 -5.486 1.00 0.11 N ATOM 931 CA ASP A 64 -1.889 -5.429 -6.078 1.00 0.11 C ATOM 932 C ASP A 64 -0.658 -4.505 -5.967 1.00 0.12 C ATOM 933 O ASP A 64 -0.787 -3.333 -5.676 1.00 0.14 O ATOM 934 CB ASP A 64 -2.192 -5.786 -7.542 1.00 0.13 C ATOM 935 CG ASP A 64 -2.356 -4.510 -8.378 1.00 0.15 C ATOM 936 OD1 ASP A 64 -2.097 -3.441 -7.853 1.00 0.16 O ATOM 937 OD2 ASP A 64 -2.736 -4.629 -9.530 1.00 0.16 O ATOM 0 H ASP A 64 -3.498 -4.019 -6.092 1.00 0.11 H new ATOM 0 HA ASP A 64 -1.682 -6.355 -5.541 1.00 0.11 H new ATOM 0 HB2 ASP A 64 -1.385 -6.395 -7.950 1.00 0.13 H new ATOM 0 HB3 ASP A 64 -3.101 -6.384 -7.597 1.00 0.13 H new ATOM 942 N PHE A 65 0.531 -5.024 -6.150 1.00 0.12 N ATOM 943 CA PHE A 65 1.753 -4.161 -6.002 1.00 0.13 C ATOM 944 C PHE A 65 1.791 -2.979 -7.000 1.00 0.16 C ATOM 945 O PHE A 65 2.111 -1.883 -6.580 1.00 0.18 O ATOM 946 CB PHE A 65 3.033 -5.014 -6.106 1.00 0.12 C ATOM 947 CG PHE A 65 4.232 -4.204 -5.646 1.00 0.12 C ATOM 948 CD1 PHE A 65 4.333 -3.781 -4.311 1.00 0.62 C ATOM 949 CD2 PHE A 65 5.249 -3.882 -6.558 1.00 0.57 C ATOM 950 CE1 PHE A 65 5.445 -3.038 -3.894 1.00 0.64 C ATOM 951 CE2 PHE A 65 6.358 -3.139 -6.138 1.00 0.56 C ATOM 952 CZ PHE A 65 6.457 -2.717 -4.807 1.00 0.15 C ATOM 0 H PHE A 65 0.712 -5.998 -6.393 1.00 0.12 H new ATOM 0 HA PHE A 65 1.702 -3.716 -5.008 1.00 0.13 H new ATOM 0 HB2 PHE A 65 2.933 -5.911 -5.495 1.00 0.12 H new ATOM 0 HB3 PHE A 65 3.179 -5.343 -7.135 1.00 0.12 H new ATOM 0 HD1 PHE A 65 3.553 -4.028 -3.606 1.00 0.62 H new ATOM 0 HD2 PHE A 65 5.176 -4.208 -7.585 1.00 0.57 H new ATOM 0 HE1 PHE A 65 5.522 -2.712 -2.867 1.00 0.64 H new ATOM 0 HE2 PHE A 65 7.139 -2.891 -6.842 1.00 0.56 H new ATOM 0 HZ PHE A 65 7.314 -2.144 -4.484 1.00 0.15 H new ATOM 962 N PRO A 66 1.476 -3.163 -8.275 1.00 0.17 N ATOM 963 CA PRO A 66 1.510 -2.022 -9.209 1.00 0.21 C ATOM 964 C PRO A 66 0.650 -0.881 -8.650 1.00 0.23 C ATOM 965 O PRO A 66 1.094 0.246 -8.544 1.00 0.26 O ATOM 966 CB PRO A 66 0.949 -2.568 -10.541 1.00 0.22 C ATOM 967 CG PRO A 66 0.714 -4.094 -10.355 1.00 0.20 C ATOM 968 CD PRO A 66 1.070 -4.449 -8.891 1.00 0.17 C ATOM 0 HA PRO A 66 2.512 -1.616 -9.352 1.00 0.21 H new ATOM 0 HB2 PRO A 66 0.017 -2.065 -10.800 1.00 0.22 H new ATOM 0 HB3 PRO A 66 1.648 -2.384 -11.356 1.00 0.22 H new ATOM 0 HG2 PRO A 66 -0.324 -4.350 -10.569 1.00 0.20 H new ATOM 0 HG3 PRO A 66 1.333 -4.664 -11.048 1.00 0.20 H new ATOM 0 HD2 PRO A 66 0.216 -4.884 -8.371 1.00 0.17 H new ATOM 0 HD3 PRO A 66 1.877 -5.181 -8.847 1.00 0.17 H new ATOM 976 N GLU A 67 -0.571 -1.164 -8.284 1.00 0.22 N ATOM 977 CA GLU A 67 -1.440 -0.094 -7.727 1.00 0.24 C ATOM 978 C GLU A 67 -0.856 0.394 -6.402 1.00 0.25 C ATOM 979 O GLU A 67 -0.983 1.550 -6.048 1.00 0.27 O ATOM 980 CB GLU A 67 -2.853 -0.637 -7.493 1.00 0.24 C ATOM 981 CG GLU A 67 -3.456 -1.087 -8.825 1.00 0.27 C ATOM 982 CD GLU A 67 -4.700 -1.938 -8.564 1.00 0.26 C ATOM 983 OE1 GLU A 67 -4.653 -2.754 -7.655 1.00 0.12 O ATOM 984 OE2 GLU A 67 -5.674 -1.762 -9.274 1.00 0.40 O ATOM 0 H GLU A 67 -1.001 -2.087 -8.347 1.00 0.22 H new ATOM 0 HA GLU A 67 -1.488 0.734 -8.435 1.00 0.24 H new ATOM 0 HB2 GLU A 67 -2.821 -1.474 -6.795 1.00 0.24 H new ATOM 0 HB3 GLU A 67 -3.479 0.132 -7.040 1.00 0.24 H new ATOM 0 HG2 GLU A 67 -3.718 -0.218 -9.429 1.00 0.27 H new ATOM 0 HG3 GLU A 67 -2.723 -1.661 -9.392 1.00 0.27 H new ATOM 991 N PHE A 68 -0.206 -0.469 -5.666 1.00 0.23 N ATOM 992 CA PHE A 68 0.386 -0.028 -4.376 1.00 0.24 C ATOM 993 C PHE A 68 1.452 1.026 -4.673 1.00 0.23 C ATOM 994 O PHE A 68 1.628 1.972 -3.932 1.00 0.24 O ATOM 995 CB PHE A 68 1.016 -1.213 -3.627 1.00 0.22 C ATOM 996 CG PHE A 68 1.398 -0.777 -2.231 1.00 0.25 C ATOM 997 CD1 PHE A 68 0.424 -0.721 -1.224 1.00 0.31 C ATOM 998 CD2 PHE A 68 2.722 -0.425 -1.941 1.00 0.23 C ATOM 999 CE1 PHE A 68 0.776 -0.317 0.070 1.00 0.34 C ATOM 1000 CE2 PHE A 68 3.070 -0.020 -0.645 1.00 0.26 C ATOM 1001 CZ PHE A 68 2.099 0.034 0.359 1.00 0.32 C ATOM 0 H PHE A 68 -0.062 -1.451 -5.902 1.00 0.23 H new ATOM 0 HA PHE A 68 -0.396 0.389 -3.742 1.00 0.24 H new ATOM 0 HB2 PHE A 68 0.312 -2.044 -3.581 1.00 0.22 H new ATOM 0 HB3 PHE A 68 1.896 -1.570 -4.162 1.00 0.22 H new ATOM 0 HD1 PHE A 68 -0.598 -0.990 -1.446 1.00 0.31 H new ATOM 0 HD2 PHE A 68 3.474 -0.466 -2.715 1.00 0.23 H new ATOM 0 HE1 PHE A 68 0.025 -0.276 0.845 1.00 0.34 H new ATOM 0 HE2 PHE A 68 4.091 0.251 -0.422 1.00 0.26 H new ATOM 0 HZ PHE A 68 2.370 0.346 1.357 1.00 0.32 H new ATOM 1011 N LEU A 69 2.159 0.875 -5.764 1.00 0.23 N ATOM 1012 CA LEU A 69 3.202 1.881 -6.114 1.00 0.22 C ATOM 1013 C LEU A 69 2.529 3.194 -6.526 1.00 0.26 C ATOM 1014 O LEU A 69 3.111 4.256 -6.418 1.00 0.27 O ATOM 1015 CB LEU A 69 4.047 1.380 -7.295 1.00 0.20 C ATOM 1016 CG LEU A 69 4.948 0.204 -6.883 1.00 0.12 C ATOM 1017 CD1 LEU A 69 5.771 -0.232 -8.103 1.00 0.09 C ATOM 1018 CD2 LEU A 69 5.897 0.621 -5.743 1.00 0.15 C ATOM 0 H LEU A 69 2.059 0.103 -6.423 1.00 0.23 H new ATOM 0 HA LEU A 69 3.840 2.037 -5.244 1.00 0.22 H new ATOM 0 HB2 LEU A 69 3.391 1.070 -8.108 1.00 0.20 H new ATOM 0 HB3 LEU A 69 4.662 2.195 -7.676 1.00 0.20 H new ATOM 0 HG LEU A 69 4.328 -0.619 -6.529 1.00 0.12 H new ATOM 0 HD11 LEU A 69 6.416 -1.066 -7.827 1.00 0.09 H new ATOM 0 HD12 LEU A 69 5.099 -0.542 -8.903 1.00 0.09 H new ATOM 0 HD13 LEU A 69 6.383 0.602 -8.446 1.00 0.09 H new ATOM 0 HD21 LEU A 69 6.526 -0.225 -5.466 1.00 0.15 H new ATOM 0 HD22 LEU A 69 6.525 1.447 -6.076 1.00 0.15 H new ATOM 0 HD23 LEU A 69 5.312 0.936 -4.879 1.00 0.15 H new ATOM 1030 N THR A 70 1.316 3.135 -7.006 1.00 0.27 N ATOM 1031 CA THR A 70 0.629 4.388 -7.433 1.00 0.32 C ATOM 1032 C THR A 70 0.128 5.150 -6.201 1.00 0.39 C ATOM 1033 O THR A 70 0.157 6.364 -6.168 1.00 0.34 O ATOM 1034 CB THR A 70 -0.545 4.052 -8.369 1.00 0.40 C ATOM 1035 OG1 THR A 70 -0.034 3.534 -9.589 1.00 0.38 O ATOM 1036 CG2 THR A 70 -1.353 5.319 -8.658 1.00 0.43 C ATOM 0 H THR A 70 0.774 2.279 -7.121 1.00 0.27 H new ATOM 0 HA THR A 70 1.335 5.018 -7.974 1.00 0.32 H new ATOM 0 HB THR A 70 -1.190 3.313 -7.893 1.00 0.40 H new ATOM 0 HG1 THR A 70 -0.778 3.316 -10.189 1.00 0.38 H new ATOM 0 HG21 THR A 70 -2.184 5.077 -9.321 1.00 0.43 H new ATOM 0 HG22 THR A 70 -1.741 5.724 -7.723 1.00 0.43 H new ATOM 0 HG23 THR A 70 -0.711 6.059 -9.136 1.00 0.43 H new ATOM 1044 N MET A 71 -0.323 4.461 -5.185 1.00 0.53 N ATOM 1045 CA MET A 71 -0.808 5.190 -3.969 1.00 0.64 C ATOM 1046 C MET A 71 0.393 5.754 -3.198 1.00 0.57 C ATOM 1047 O MET A 71 0.318 6.810 -2.602 1.00 0.56 O ATOM 1048 CB MET A 71 -1.704 4.278 -3.079 1.00 0.91 C ATOM 1049 CG MET A 71 -0.905 3.346 -2.136 1.00 0.75 C ATOM 1050 SD MET A 71 -1.915 2.977 -0.674 1.00 0.87 S ATOM 1051 CE MET A 71 -2.948 1.680 -1.409 1.00 0.61 C ATOM 0 H MET A 71 -0.377 3.443 -5.141 1.00 0.53 H new ATOM 0 HA MET A 71 -1.437 6.024 -4.280 1.00 0.64 H new ATOM 0 HB2 MET A 71 -2.364 4.906 -2.480 1.00 0.91 H new ATOM 0 HB3 MET A 71 -2.340 3.670 -3.723 1.00 0.91 H new ATOM 0 HG2 MET A 71 -0.641 2.424 -2.653 1.00 0.75 H new ATOM 0 HG3 MET A 71 0.029 3.823 -1.838 1.00 0.75 H new ATOM 0 HE1 MET A 71 -3.984 1.823 -1.103 1.00 0.61 H new ATOM 0 HE2 MET A 71 -2.880 1.732 -2.496 1.00 0.61 H new ATOM 0 HE3 MET A 71 -2.602 0.704 -1.070 1.00 0.61 H new ATOM 1061 N MET A 72 1.503 5.063 -3.210 1.00 0.58 N ATOM 1062 CA MET A 72 2.701 5.569 -2.487 1.00 0.57 C ATOM 1063 C MET A 72 3.278 6.769 -3.240 1.00 0.44 C ATOM 1064 O MET A 72 3.743 7.721 -2.643 1.00 0.49 O ATOM 1065 CB MET A 72 3.756 4.462 -2.399 1.00 0.61 C ATOM 1066 CG MET A 72 3.314 3.405 -1.382 1.00 0.60 C ATOM 1067 SD MET A 72 3.352 4.108 0.288 1.00 0.87 S ATOM 1068 CE MET A 72 5.085 3.735 0.656 1.00 0.38 C ATOM 0 H MET A 72 1.629 4.172 -3.689 1.00 0.58 H new ATOM 0 HA MET A 72 2.416 5.873 -1.480 1.00 0.57 H new ATOM 0 HB2 MET A 72 3.897 4.002 -3.377 1.00 0.61 H new ATOM 0 HB3 MET A 72 4.716 4.885 -2.104 1.00 0.61 H new ATOM 0 HG2 MET A 72 2.308 3.058 -1.618 1.00 0.60 H new ATOM 0 HG3 MET A 72 3.971 2.537 -1.436 1.00 0.60 H new ATOM 0 HE1 MET A 72 5.282 3.925 1.711 1.00 0.38 H new ATOM 0 HE2 MET A 72 5.287 2.688 0.432 1.00 0.38 H new ATOM 0 HE3 MET A 72 5.731 4.368 0.047 1.00 0.38 H new ATOM 1078 N ALA A 73 3.251 6.744 -4.549 1.00 0.30 N ATOM 1079 CA ALA A 73 3.797 7.893 -5.316 1.00 0.20 C ATOM 1080 C ALA A 73 2.913 9.118 -5.077 1.00 0.20 C ATOM 1081 O ALA A 73 3.385 10.239 -5.055 1.00 0.23 O ATOM 1082 CB ALA A 73 3.831 7.550 -6.810 1.00 0.13 C ATOM 0 H ALA A 73 2.876 5.981 -5.112 1.00 0.30 H new ATOM 0 HA ALA A 73 4.813 8.109 -4.984 1.00 0.20 H new ATOM 0 HB1 ALA A 73 4.232 8.396 -7.368 1.00 0.13 H new ATOM 0 HB2 ALA A 73 4.464 6.677 -6.969 1.00 0.13 H new ATOM 0 HB3 ALA A 73 2.821 7.333 -7.157 1.00 0.13 H new ATOM 1222 N GLU A 82 13.243 15.389 2.473 1.00 0.53 N ATOM 1223 CA GLU A 82 13.528 16.688 3.128 1.00 0.64 C ATOM 1224 C GLU A 82 13.148 16.598 4.609 1.00 0.58 C ATOM 1225 O GLU A 82 13.946 16.861 5.486 1.00 0.59 O ATOM 1226 CB GLU A 82 12.692 17.767 2.419 1.00 0.91 C ATOM 1227 CG GLU A 82 13.501 18.403 1.281 1.00 0.29 C ATOM 1228 CD GLU A 82 12.578 19.265 0.418 1.00 0.62 C ATOM 1229 OE1 GLU A 82 11.970 18.722 -0.490 1.00 1.42 O ATOM 1230 OE2 GLU A 82 12.498 20.455 0.676 1.00 1.12 O ATOM 0 HA GLU A 82 14.586 16.939 3.059 1.00 0.64 H new ATOM 0 HB2 GLU A 82 11.777 17.326 2.022 1.00 0.91 H new ATOM 0 HB3 GLU A 82 12.392 18.533 3.134 1.00 0.91 H new ATOM 0 HG2 GLU A 82 14.307 19.012 1.690 1.00 0.29 H new ATOM 0 HG3 GLU A 82 13.965 17.627 0.673 1.00 0.29 H new ATOM 1237 N GLU A 83 11.939 16.223 4.883 1.00 0.61 N ATOM 1238 CA GLU A 83 11.487 16.100 6.299 1.00 0.60 C ATOM 1239 C GLU A 83 12.360 15.062 7.005 1.00 0.47 C ATOM 1240 O GLU A 83 12.445 15.023 8.217 1.00 0.58 O ATOM 1241 CB GLU A 83 10.012 15.661 6.339 1.00 0.66 C ATOM 1242 CG GLU A 83 9.093 16.881 6.204 1.00 0.98 C ATOM 1243 CD GLU A 83 9.141 17.703 7.491 1.00 2.39 C ATOM 1244 OE1 GLU A 83 9.047 17.112 8.555 1.00 3.32 O ATOM 1245 OE2 GLU A 83 9.272 18.913 7.393 1.00 3.28 O ATOM 0 H GLU A 83 11.233 15.993 4.184 1.00 0.61 H new ATOM 0 HA GLU A 83 11.579 17.062 6.803 1.00 0.60 H new ATOM 0 HB2 GLU A 83 9.813 14.955 5.532 1.00 0.66 H new ATOM 0 HB3 GLU A 83 9.805 15.142 7.275 1.00 0.66 H new ATOM 0 HG2 GLU A 83 9.406 17.493 5.358 1.00 0.98 H new ATOM 0 HG3 GLU A 83 8.071 16.559 6.004 1.00 0.98 H new ATOM 1252 N GLU A 84 13.003 14.220 6.254 1.00 0.37 N ATOM 1253 CA GLU A 84 13.871 13.174 6.868 1.00 0.42 C ATOM 1254 C GLU A 84 15.212 13.786 7.265 1.00 0.44 C ATOM 1255 O GLU A 84 15.638 13.695 8.400 1.00 0.44 O ATOM 1256 CB GLU A 84 14.098 12.040 5.864 1.00 0.49 C ATOM 1257 CG GLU A 84 12.809 11.230 5.710 1.00 0.49 C ATOM 1258 CD GLU A 84 12.950 10.263 4.532 1.00 1.77 C ATOM 1259 OE1 GLU A 84 13.934 9.542 4.500 1.00 2.15 O ATOM 1260 OE2 GLU A 84 12.072 10.258 3.686 1.00 2.84 O ATOM 0 H GLU A 84 12.967 14.208 5.235 1.00 0.37 H new ATOM 0 HA GLU A 84 13.381 12.776 7.757 1.00 0.42 H new ATOM 0 HB2 GLU A 84 14.401 12.449 4.900 1.00 0.49 H new ATOM 0 HB3 GLU A 84 14.907 11.394 6.205 1.00 0.49 H new ATOM 0 HG2 GLU A 84 12.604 10.676 6.626 1.00 0.49 H new ATOM 0 HG3 GLU A 84 11.964 11.899 5.546 1.00 0.49 H new ATOM 1267 N ILE A 85 15.877 14.419 6.343 1.00 0.45 N ATOM 1268 CA ILE A 85 17.189 15.046 6.676 1.00 0.46 C ATOM 1269 C ILE A 85 16.951 16.196 7.662 1.00 0.52 C ATOM 1270 O ILE A 85 17.723 16.412 8.572 1.00 0.53 O ATOM 1271 CB ILE A 85 17.870 15.569 5.389 1.00 0.38 C ATOM 1272 CG1 ILE A 85 18.566 14.398 4.672 1.00 0.33 C ATOM 1273 CG2 ILE A 85 18.914 16.639 5.753 1.00 0.37 C ATOM 1274 CD1 ILE A 85 19.189 14.882 3.359 1.00 0.26 C ATOM 0 H ILE A 85 15.573 14.531 5.376 1.00 0.45 H new ATOM 0 HA ILE A 85 17.847 14.307 7.132 1.00 0.46 H new ATOM 0 HB ILE A 85 17.118 16.008 4.733 1.00 0.38 H new ATOM 0 HG12 ILE A 85 19.337 13.974 5.315 1.00 0.33 H new ATOM 0 HG13 ILE A 85 17.846 13.604 4.472 1.00 0.33 H new ATOM 0 HG21 ILE A 85 19.392 17.005 4.844 1.00 0.37 H new ATOM 0 HG22 ILE A 85 18.423 17.467 6.264 1.00 0.37 H new ATOM 0 HG23 ILE A 85 19.668 16.204 6.409 1.00 0.37 H new ATOM 0 HD11 ILE A 85 19.679 14.047 2.859 1.00 0.26 H new ATOM 0 HD12 ILE A 85 18.409 15.285 2.713 1.00 0.26 H new ATOM 0 HD13 ILE A 85 19.923 15.660 3.570 1.00 0.26 H new ATOM 1286 N ARG A 86 15.891 16.937 7.486 1.00 0.57 N ATOM 1287 CA ARG A 86 15.620 18.069 8.414 1.00 0.66 C ATOM 1288 C ARG A 86 15.312 17.528 9.812 1.00 0.72 C ATOM 1289 O ARG A 86 15.682 18.118 10.805 1.00 0.72 O ATOM 1290 CB ARG A 86 14.417 18.871 7.914 1.00 0.72 C ATOM 1291 CG ARG A 86 14.824 19.724 6.711 1.00 1.43 C ATOM 1292 CD ARG A 86 13.588 20.419 6.133 1.00 1.49 C ATOM 1293 NE ARG A 86 12.796 21.041 7.234 1.00 0.46 N ATOM 1294 CZ ARG A 86 11.875 21.924 6.960 1.00 0.95 C ATOM 1295 NH1 ARG A 86 11.651 22.274 5.721 1.00 1.21 N ATOM 1296 NH2 ARG A 86 11.176 22.461 7.924 1.00 2.33 N ATOM 0 H ARG A 86 15.204 16.808 6.743 1.00 0.57 H new ATOM 0 HA ARG A 86 16.499 18.712 8.454 1.00 0.66 H new ATOM 0 HB2 ARG A 86 13.609 18.195 7.635 1.00 0.72 H new ATOM 0 HB3 ARG A 86 14.037 19.509 8.712 1.00 0.72 H new ATOM 0 HG2 ARG A 86 15.564 20.466 7.012 1.00 1.43 H new ATOM 0 HG3 ARG A 86 15.291 19.099 5.950 1.00 1.43 H new ATOM 0 HD2 ARG A 86 13.891 21.181 5.415 1.00 1.49 H new ATOM 0 HD3 ARG A 86 12.974 19.699 5.593 1.00 1.49 H new ATOM 0 HE ARG A 86 12.975 20.776 8.202 1.00 0.46 H new ATOM 0 HH11 ARG A 86 12.196 21.857 4.967 1.00 1.21 H new ATOM 0 HH12 ARG A 86 10.931 22.964 5.508 1.00 1.21 H new ATOM 0 HH21 ARG A 86 11.350 22.190 8.892 1.00 2.33 H new ATOM 0 HH22 ARG A 86 10.456 23.151 7.709 1.00 2.33 H new ATOM 1310 N GLU A 87 14.623 16.418 9.904 1.00 0.81 N ATOM 1311 CA GLU A 87 14.291 15.874 11.251 1.00 0.90 C ATOM 1312 C GLU A 87 15.581 15.456 11.964 1.00 0.79 C ATOM 1313 O GLU A 87 15.654 15.478 13.176 1.00 0.77 O ATOM 1314 CB GLU A 87 13.320 14.681 11.126 1.00 1.01 C ATOM 1315 CG GLU A 87 11.877 15.189 11.049 1.00 1.02 C ATOM 1316 CD GLU A 87 10.941 14.028 10.707 1.00 1.72 C ATOM 1317 OE1 GLU A 87 10.814 13.722 9.532 1.00 2.30 O ATOM 1318 OE2 GLU A 87 10.367 13.464 11.623 1.00 2.06 O ATOM 0 H GLU A 87 14.281 15.872 9.113 1.00 0.81 H new ATOM 0 HA GLU A 87 13.797 16.646 11.840 1.00 0.90 H new ATOM 0 HB2 GLU A 87 13.558 14.099 10.236 1.00 1.01 H new ATOM 0 HB3 GLU A 87 13.435 14.016 11.982 1.00 1.01 H new ATOM 0 HG2 GLU A 87 11.587 15.635 12.000 1.00 1.02 H new ATOM 0 HG3 GLU A 87 11.796 15.970 10.293 1.00 1.02 H new ATOM 1325 N ALA A 88 16.617 15.118 11.239 1.00 0.71 N ATOM 1326 CA ALA A 88 17.890 14.760 11.922 1.00 0.61 C ATOM 1327 C ALA A 88 18.564 16.061 12.295 1.00 0.52 C ATOM 1328 O ALA A 88 19.068 16.229 13.383 1.00 0.49 O ATOM 1329 CB ALA A 88 18.801 13.970 10.988 1.00 0.58 C ATOM 0 H ALA A 88 16.635 15.075 10.220 1.00 0.71 H new ATOM 0 HA ALA A 88 17.691 14.141 12.797 1.00 0.61 H new ATOM 0 HB1 ALA A 88 19.726 13.719 11.508 1.00 0.58 H new ATOM 0 HB2 ALA A 88 18.298 13.054 10.679 1.00 0.58 H new ATOM 0 HB3 ALA A 88 19.031 14.572 10.109 1.00 0.58 H new ATOM 1335 N PHE A 89 18.550 17.003 11.405 1.00 0.52 N ATOM 1336 CA PHE A 89 19.164 18.301 11.734 1.00 0.49 C ATOM 1337 C PHE A 89 18.365 18.889 12.903 1.00 0.56 C ATOM 1338 O PHE A 89 18.899 19.588 13.743 1.00 0.59 O ATOM 1339 CB PHE A 89 19.108 19.249 10.527 1.00 0.53 C ATOM 1340 CG PHE A 89 20.317 19.058 9.610 1.00 0.42 C ATOM 1341 CD1 PHE A 89 21.603 19.456 10.021 1.00 0.32 C ATOM 1342 CD2 PHE A 89 20.153 18.470 8.341 1.00 0.45 C ATOM 1343 CE1 PHE A 89 22.688 19.275 9.173 1.00 0.30 C ATOM 1344 CE2 PHE A 89 21.270 18.287 7.495 1.00 0.35 C ATOM 1345 CZ PHE A 89 22.536 18.703 7.928 1.00 0.29 C ATOM 0 H PHE A 89 18.143 16.929 10.473 1.00 0.52 H new ATOM 0 HA PHE A 89 20.213 18.172 12.000 1.00 0.49 H new ATOM 0 HB2 PHE A 89 18.191 19.071 9.965 1.00 0.53 H new ATOM 0 HB3 PHE A 89 19.073 20.281 10.875 1.00 0.53 H new ATOM 0 HD1 PHE A 89 21.746 19.902 10.994 1.00 0.32 H new ATOM 0 HD2 PHE A 89 19.172 18.158 8.014 1.00 0.45 H new ATOM 0 HE1 PHE A 89 23.670 19.589 9.495 1.00 0.30 H new ATOM 0 HE2 PHE A 89 21.149 17.831 6.524 1.00 0.35 H new ATOM 0 HZ PHE A 89 23.394 18.575 7.285 1.00 0.29 H new ATOM 1355 N ARG A 90 17.087 18.593 12.970 1.00 0.60 N ATOM 1356 CA ARG A 90 16.266 19.118 14.096 1.00 0.67 C ATOM 1357 C ARG A 90 16.902 18.637 15.394 1.00 0.47 C ATOM 1358 O ARG A 90 17.171 19.405 16.296 1.00 0.40 O ATOM 1359 CB ARG A 90 14.831 18.592 13.994 1.00 0.86 C ATOM 1360 CG ARG A 90 13.922 19.417 14.910 1.00 1.00 C ATOM 1361 CD ARG A 90 12.484 18.905 14.811 1.00 1.16 C ATOM 1362 NE ARG A 90 11.574 19.858 15.506 1.00 1.40 N ATOM 1363 CZ ARG A 90 10.285 19.793 15.308 1.00 2.11 C ATOM 1364 NH1 ARG A 90 9.795 18.896 14.498 1.00 3.19 N ATOM 1365 NH2 ARG A 90 9.488 20.628 15.918 1.00 2.35 N ATOM 0 H ARG A 90 16.585 18.015 12.296 1.00 0.60 H new ATOM 0 HA ARG A 90 16.232 20.207 14.064 1.00 0.67 H new ATOM 0 HB2 ARG A 90 14.481 18.655 12.964 1.00 0.86 H new ATOM 0 HB3 ARG A 90 14.796 17.541 14.279 1.00 0.86 H new ATOM 0 HG2 ARG A 90 14.271 19.350 15.940 1.00 1.00 H new ATOM 0 HG3 ARG A 90 13.963 20.469 14.627 1.00 1.00 H new ATOM 0 HD2 ARG A 90 12.193 18.803 13.765 1.00 1.16 H new ATOM 0 HD3 ARG A 90 12.406 17.915 15.261 1.00 1.16 H new ATOM 0 HE ARG A 90 11.958 20.562 16.137 1.00 1.40 H new ATOM 0 HH11 ARG A 90 10.419 18.246 14.020 1.00 3.19 H new ATOM 0 HH12 ARG A 90 8.788 18.845 14.343 1.00 3.19 H new ATOM 0 HH21 ARG A 90 9.872 21.331 16.549 1.00 2.35 H new ATOM 0 HH22 ARG A 90 8.481 20.577 15.763 1.00 2.35 H new ATOM 1379 N VAL A 91 17.178 17.365 15.470 1.00 0.42 N ATOM 1380 CA VAL A 91 17.839 16.816 16.690 1.00 0.28 C ATOM 1381 C VAL A 91 19.088 17.656 16.949 1.00 0.09 C ATOM 1382 O VAL A 91 19.595 17.728 18.053 1.00 0.18 O ATOM 1383 CB VAL A 91 18.253 15.342 16.431 1.00 0.39 C ATOM 1384 CG1 VAL A 91 19.476 14.956 17.280 1.00 0.39 C ATOM 1385 CG2 VAL A 91 17.085 14.401 16.776 1.00 0.55 C ATOM 0 H VAL A 91 16.975 16.681 14.741 1.00 0.42 H new ATOM 0 HA VAL A 91 17.165 16.849 17.546 1.00 0.28 H new ATOM 0 HB VAL A 91 18.511 15.245 15.376 1.00 0.39 H new ATOM 0 HG11 VAL A 91 19.745 13.919 17.080 1.00 0.39 H new ATOM 0 HG12 VAL A 91 20.315 15.604 17.026 1.00 0.39 H new ATOM 0 HG13 VAL A 91 19.236 15.071 18.337 1.00 0.39 H new ATOM 0 HG21 VAL A 91 17.383 13.369 16.592 1.00 0.55 H new ATOM 0 HG22 VAL A 91 16.820 14.520 17.827 1.00 0.55 H new ATOM 0 HG23 VAL A 91 16.224 14.647 16.154 1.00 0.55 H new ATOM 1395 N PHE A 92 19.612 18.240 15.910 1.00 0.20 N ATOM 1396 CA PHE A 92 20.866 19.031 16.020 1.00 0.24 C ATOM 1397 C PHE A 92 20.596 20.537 16.090 1.00 0.52 C ATOM 1398 O PHE A 92 21.441 21.309 16.482 1.00 0.63 O ATOM 1399 CB PHE A 92 21.723 18.635 14.811 1.00 0.22 C ATOM 1400 CG PHE A 92 22.520 17.426 15.201 1.00 0.16 C ATOM 1401 CD1 PHE A 92 23.694 17.644 15.893 1.00 0.32 C ATOM 1402 CD2 PHE A 92 22.050 16.114 14.974 1.00 0.30 C ATOM 1403 CE1 PHE A 92 24.444 16.565 16.365 1.00 0.57 C ATOM 1404 CE2 PHE A 92 22.789 15.031 15.461 1.00 0.54 C ATOM 1405 CZ PHE A 92 23.986 15.257 16.157 1.00 0.67 C ATOM 0 H PHE A 92 19.216 18.201 14.971 1.00 0.20 H new ATOM 0 HA PHE A 92 21.391 18.811 16.950 1.00 0.24 H new ATOM 0 HB2 PHE A 92 21.093 18.417 13.949 1.00 0.22 H new ATOM 0 HB3 PHE A 92 22.383 19.454 14.524 1.00 0.22 H new ATOM 0 HD1 PHE A 92 24.034 18.654 16.070 1.00 0.32 H new ATOM 0 HD2 PHE A 92 21.131 15.949 14.431 1.00 0.30 H new ATOM 0 HE1 PHE A 92 25.373 16.738 16.888 1.00 0.57 H new ATOM 0 HE2 PHE A 92 22.439 14.022 15.301 1.00 0.54 H new ATOM 0 HZ PHE A 92 24.556 14.421 16.534 1.00 0.67 H new ATOM 1415 N ASP A 93 19.410 20.937 15.794 1.00 0.65 N ATOM 1416 CA ASP A 93 19.044 22.385 15.897 1.00 0.91 C ATOM 1417 C ASP A 93 18.537 22.615 17.322 1.00 0.81 C ATOM 1418 O ASP A 93 17.408 23.006 17.552 1.00 0.81 O ATOM 1419 CB ASP A 93 17.931 22.724 14.899 1.00 1.11 C ATOM 1420 CG ASP A 93 17.552 24.199 15.046 1.00 1.34 C ATOM 1421 OD1 ASP A 93 18.318 24.932 15.647 1.00 0.61 O ATOM 1422 OD2 ASP A 93 16.500 24.571 14.551 1.00 2.59 O ATOM 0 H ASP A 93 18.657 20.326 15.479 1.00 0.65 H new ATOM 0 HA ASP A 93 19.904 23.016 15.673 1.00 0.91 H new ATOM 0 HB2 ASP A 93 18.265 22.522 13.881 1.00 1.11 H new ATOM 0 HB3 ASP A 93 17.061 22.093 15.079 1.00 1.11 H new ATOM 1489 N TYR A 99 20.705 27.297 13.084 1.00 0.70 N ATOM 1490 CA TYR A 99 22.195 27.378 12.892 1.00 0.46 C ATOM 1491 C TYR A 99 22.901 26.373 13.811 1.00 0.43 C ATOM 1492 O TYR A 99 22.599 26.277 14.984 1.00 0.47 O ATOM 1493 CB TYR A 99 22.673 28.786 13.252 1.00 0.32 C ATOM 1494 CG TYR A 99 22.192 29.780 12.216 1.00 0.31 C ATOM 1495 CD1 TYR A 99 20.830 30.090 12.125 1.00 0.83 C ATOM 1496 CD2 TYR A 99 23.108 30.397 11.353 1.00 0.94 C ATOM 1497 CE1 TYR A 99 20.384 31.015 11.174 1.00 0.74 C ATOM 1498 CE2 TYR A 99 22.661 31.321 10.403 1.00 1.05 C ATOM 1499 CZ TYR A 99 21.298 31.629 10.314 1.00 0.39 C ATOM 1500 OH TYR A 99 20.857 32.542 9.375 1.00 0.47 O ATOM 0 HA TYR A 99 22.430 27.150 11.852 1.00 0.46 H new ATOM 0 HB2 TYR A 99 22.298 29.065 14.237 1.00 0.32 H new ATOM 0 HB3 TYR A 99 23.761 28.806 13.308 1.00 0.32 H new ATOM 0 HD1 TYR A 99 20.123 29.615 12.789 1.00 0.83 H new ATOM 0 HD2 TYR A 99 24.159 30.159 11.422 1.00 0.94 H new ATOM 0 HE1 TYR A 99 19.333 31.254 11.105 1.00 0.74 H new ATOM 0 HE2 TYR A 99 23.367 31.797 9.738 1.00 1.05 H new ATOM 0 HH TYR A 99 21.621 32.876 8.859 1.00 0.47 H new ATOM 1510 N ILE A 100 23.877 25.658 13.298 1.00 0.36 N ATOM 1511 CA ILE A 100 24.647 24.694 14.160 1.00 0.33 C ATOM 1512 C ILE A 100 26.124 24.762 13.765 1.00 0.26 C ATOM 1513 O ILE A 100 26.470 25.277 12.721 1.00 0.27 O ATOM 1514 CB ILE A 100 24.153 23.237 14.011 1.00 0.32 C ATOM 1515 CG1 ILE A 100 24.196 22.796 12.540 1.00 0.27 C ATOM 1516 CG2 ILE A 100 22.725 23.082 14.543 1.00 0.43 C ATOM 1517 CD1 ILE A 100 23.548 21.410 12.388 1.00 0.29 C ATOM 0 H ILE A 100 24.175 25.698 12.323 1.00 0.36 H new ATOM 0 HA ILE A 100 24.497 24.983 15.200 1.00 0.33 H new ATOM 0 HB ILE A 100 24.820 22.605 14.597 1.00 0.32 H new ATOM 0 HG12 ILE A 100 23.672 23.522 11.919 1.00 0.27 H new ATOM 0 HG13 ILE A 100 25.228 22.764 12.191 1.00 0.27 H new ATOM 0 HG21 ILE A 100 22.403 22.047 14.426 1.00 0.43 H new ATOM 0 HG22 ILE A 100 22.699 23.353 15.599 1.00 0.43 H new ATOM 0 HG23 ILE A 100 22.056 23.736 13.984 1.00 0.43 H new ATOM 0 HD11 ILE A 100 23.583 21.105 11.342 1.00 0.29 H new ATOM 0 HD12 ILE A 100 24.091 20.686 12.995 1.00 0.29 H new ATOM 0 HD13 ILE A 100 22.510 21.455 12.719 1.00 0.29 H new ATOM 1529 N SER A 101 27.000 24.239 14.583 1.00 0.24 N ATOM 1530 CA SER A 101 28.450 24.272 14.231 1.00 0.22 C ATOM 1531 C SER A 101 28.730 23.230 13.143 1.00 0.23 C ATOM 1532 O SER A 101 28.193 22.140 13.156 1.00 0.26 O ATOM 1533 CB SER A 101 29.293 23.967 15.473 1.00 0.30 C ATOM 1534 OG SER A 101 29.022 22.644 15.915 1.00 0.37 O ATOM 0 H SER A 101 26.776 23.794 15.473 1.00 0.24 H new ATOM 0 HA SER A 101 28.712 25.263 13.861 1.00 0.22 H new ATOM 0 HB2 SER A 101 30.353 24.075 15.242 1.00 0.30 H new ATOM 0 HB3 SER A 101 29.065 24.681 16.265 1.00 0.30 H new ATOM 0 HG SER A 101 29.562 22.447 16.709 1.00 0.37 H new ATOM 1540 N ALA A 102 29.561 23.568 12.191 1.00 0.23 N ATOM 1541 CA ALA A 102 29.879 22.620 11.080 1.00 0.27 C ATOM 1542 C ALA A 102 30.100 21.207 11.620 1.00 0.31 C ATOM 1543 O ALA A 102 29.795 20.238 10.964 1.00 0.32 O ATOM 1544 CB ALA A 102 31.148 23.090 10.369 1.00 0.31 C ATOM 0 H ALA A 102 30.037 24.468 12.135 1.00 0.23 H new ATOM 0 HA ALA A 102 29.040 22.601 10.385 1.00 0.27 H new ATOM 0 HB1 ALA A 102 31.386 22.403 9.557 1.00 0.31 H new ATOM 0 HB2 ALA A 102 30.989 24.089 9.964 1.00 0.31 H new ATOM 0 HB3 ALA A 102 31.975 23.114 11.079 1.00 0.31 H new ATOM 1550 N ALA A 103 30.628 21.072 12.800 1.00 0.35 N ATOM 1551 CA ALA A 103 30.852 19.703 13.342 1.00 0.40 C ATOM 1552 C ALA A 103 29.502 19.019 13.490 1.00 0.37 C ATOM 1553 O ALA A 103 29.284 17.929 13.008 1.00 0.43 O ATOM 1554 CB ALA A 103 31.552 19.786 14.700 1.00 0.46 C ATOM 0 H ALA A 103 30.912 21.839 13.409 1.00 0.35 H new ATOM 0 HA ALA A 103 31.486 19.131 12.664 1.00 0.40 H new ATOM 0 HB1 ALA A 103 31.712 18.780 15.089 1.00 0.46 H new ATOM 0 HB2 ALA A 103 32.513 20.287 14.584 1.00 0.46 H new ATOM 0 HB3 ALA A 103 30.931 20.350 15.396 1.00 0.46 H new ATOM 1560 N GLU A 104 28.590 19.674 14.132 1.00 0.38 N ATOM 1561 CA GLU A 104 27.226 19.108 14.301 1.00 0.43 C ATOM 1562 C GLU A 104 26.618 18.886 12.912 1.00 0.34 C ATOM 1563 O GLU A 104 25.891 17.938 12.687 1.00 0.32 O ATOM 1564 CB GLU A 104 26.387 20.125 15.086 1.00 0.54 C ATOM 1565 CG GLU A 104 26.583 19.918 16.592 1.00 0.44 C ATOM 1566 CD GLU A 104 25.872 21.035 17.358 1.00 0.52 C ATOM 1567 OE1 GLU A 104 25.588 22.053 16.751 1.00 1.03 O ATOM 1568 OE2 GLU A 104 25.628 20.854 18.539 1.00 0.48 O ATOM 0 H GLU A 104 28.729 20.592 14.555 1.00 0.38 H new ATOM 0 HA GLU A 104 27.253 18.160 14.838 1.00 0.43 H new ATOM 0 HB2 GLU A 104 26.677 21.139 14.809 1.00 0.54 H new ATOM 0 HB3 GLU A 104 25.333 20.014 14.830 1.00 0.54 H new ATOM 0 HG2 GLU A 104 26.186 18.948 16.891 1.00 0.44 H new ATOM 0 HG3 GLU A 104 27.646 19.916 16.834 1.00 0.44 H new ATOM 1575 N LEU A 105 26.919 19.748 11.976 1.00 0.32 N ATOM 1576 CA LEU A 105 26.368 19.582 10.601 1.00 0.26 C ATOM 1577 C LEU A 105 26.999 18.354 9.955 1.00 0.19 C ATOM 1578 O LEU A 105 26.315 17.499 9.428 1.00 0.20 O ATOM 1579 CB LEU A 105 26.696 20.827 9.765 1.00 0.23 C ATOM 1580 CG LEU A 105 25.992 20.752 8.368 1.00 0.26 C ATOM 1581 CD1 LEU A 105 24.904 21.833 8.186 1.00 0.19 C ATOM 1582 CD2 LEU A 105 27.015 20.922 7.244 1.00 0.35 C ATOM 0 H LEU A 105 27.523 20.560 12.106 1.00 0.32 H new ATOM 0 HA LEU A 105 25.287 19.455 10.651 1.00 0.26 H new ATOM 0 HB2 LEU A 105 26.372 21.723 10.294 1.00 0.23 H new ATOM 0 HB3 LEU A 105 27.775 20.908 9.631 1.00 0.23 H new ATOM 0 HG LEU A 105 25.519 19.771 8.323 1.00 0.26 H new ATOM 0 HD11 LEU A 105 24.451 21.731 7.200 1.00 0.19 H new ATOM 0 HD12 LEU A 105 24.138 21.710 8.951 1.00 0.19 H new ATOM 0 HD13 LEU A 105 25.354 22.821 8.279 1.00 0.19 H new ATOM 0 HD21 LEU A 105 26.509 20.867 6.280 1.00 0.35 H new ATOM 0 HD22 LEU A 105 27.506 21.890 7.342 1.00 0.35 H new ATOM 0 HD23 LEU A 105 27.761 20.130 7.308 1.00 0.35 H new ATOM 1594 N ARG A 106 28.297 18.241 10.012 1.00 0.17 N ATOM 1595 CA ARG A 106 28.953 17.049 9.422 1.00 0.17 C ATOM 1596 C ARG A 106 28.422 15.832 10.173 1.00 0.21 C ATOM 1597 O ARG A 106 28.143 14.800 9.599 1.00 0.29 O ATOM 1598 CB ARG A 106 30.477 17.145 9.599 1.00 0.27 C ATOM 1599 CG ARG A 106 31.083 17.968 8.456 1.00 0.59 C ATOM 1600 CD ARG A 106 32.549 18.294 8.767 1.00 0.55 C ATOM 1601 NE ARG A 106 33.185 17.148 9.479 1.00 0.87 N ATOM 1602 CZ ARG A 106 34.485 17.064 9.551 1.00 1.13 C ATOM 1603 NH1 ARG A 106 35.232 17.973 8.983 1.00 1.69 N ATOM 1604 NH2 ARG A 106 35.042 16.068 10.187 1.00 2.09 N ATOM 0 H ARG A 106 28.926 18.920 10.440 1.00 0.17 H new ATOM 0 HA ARG A 106 28.740 16.976 8.356 1.00 0.17 H new ATOM 0 HB2 ARG A 106 30.712 17.608 10.557 1.00 0.27 H new ATOM 0 HB3 ARG A 106 30.914 16.147 9.612 1.00 0.27 H new ATOM 0 HG2 ARG A 106 31.016 17.412 7.521 1.00 0.59 H new ATOM 0 HG3 ARG A 106 30.517 18.890 8.320 1.00 0.59 H new ATOM 0 HD2 ARG A 106 33.088 18.503 7.843 1.00 0.55 H new ATOM 0 HD3 ARG A 106 32.608 19.193 9.381 1.00 0.55 H new ATOM 0 HE ARG A 106 32.603 16.429 9.910 1.00 0.87 H new ATOM 0 HH11 ARG A 106 34.799 18.749 8.483 1.00 1.69 H new ATOM 0 HH12 ARG A 106 36.248 17.906 9.040 1.00 1.69 H new ATOM 0 HH21 ARG A 106 34.460 15.355 10.628 1.00 2.09 H new ATOM 0 HH22 ARG A 106 36.058 16.003 10.243 1.00 2.09 H new ATOM 1618 N HIS A 107 28.273 15.967 11.460 1.00 0.18 N ATOM 1619 CA HIS A 107 27.756 14.848 12.282 1.00 0.23 C ATOM 1620 C HIS A 107 26.330 14.506 11.841 1.00 0.20 C ATOM 1621 O HIS A 107 25.976 13.352 11.707 1.00 0.20 O ATOM 1622 CB HIS A 107 27.760 15.263 13.756 1.00 0.31 C ATOM 1623 CG HIS A 107 27.379 14.081 14.583 1.00 0.75 C ATOM 1624 ND1 HIS A 107 28.294 13.331 15.302 1.00 1.14 N ATOM 1625 CD2 HIS A 107 26.167 13.505 14.795 1.00 1.21 C ATOM 1626 CE1 HIS A 107 27.613 12.344 15.911 1.00 1.41 C ATOM 1627 NE2 HIS A 107 26.306 12.403 15.634 1.00 1.48 N ATOM 0 H HIS A 107 28.491 16.817 11.980 1.00 0.18 H new ATOM 0 HA HIS A 107 28.389 13.971 12.151 1.00 0.23 H new ATOM 0 HB2 HIS A 107 28.747 15.625 14.045 1.00 0.31 H new ATOM 0 HB3 HIS A 107 27.060 16.082 13.921 1.00 0.31 H new ATOM 0 HD1 HIS A 107 29.299 13.496 15.359 1.00 1.14 H new ATOM 0 HD2 HIS A 107 25.234 13.851 14.375 1.00 1.21 H new ATOM 0 HE1 HIS A 107 28.066 11.596 16.545 1.00 1.41 H new ATOM 1635 N VAL A 108 25.506 15.493 11.601 1.00 0.19 N ATOM 1636 CA VAL A 108 24.118 15.198 11.157 1.00 0.19 C ATOM 1637 C VAL A 108 24.185 14.413 9.846 1.00 0.17 C ATOM 1638 O VAL A 108 23.364 13.558 9.577 1.00 0.24 O ATOM 1639 CB VAL A 108 23.349 16.511 10.895 1.00 0.18 C ATOM 1640 CG1 VAL A 108 22.032 16.201 10.127 1.00 0.27 C ATOM 1641 CG2 VAL A 108 23.027 17.190 12.237 1.00 0.39 C ATOM 0 H VAL A 108 25.735 16.483 11.693 1.00 0.19 H new ATOM 0 HA VAL A 108 23.607 14.627 11.933 1.00 0.19 H new ATOM 0 HB VAL A 108 23.963 17.180 10.292 1.00 0.18 H new ATOM 0 HG11 VAL A 108 21.491 17.129 9.943 1.00 0.27 H new ATOM 0 HG12 VAL A 108 22.269 15.725 9.176 1.00 0.27 H new ATOM 0 HG13 VAL A 108 21.412 15.532 10.723 1.00 0.27 H new ATOM 0 HG21 VAL A 108 22.484 18.117 12.055 1.00 0.39 H new ATOM 0 HG22 VAL A 108 22.414 16.524 12.844 1.00 0.39 H new ATOM 0 HG23 VAL A 108 23.955 17.411 12.765 1.00 0.39 H new ATOM 1651 N MET A 109 25.136 14.733 9.008 1.00 0.09 N ATOM 1652 CA MET A 109 25.229 14.044 7.692 1.00 0.11 C ATOM 1653 C MET A 109 25.864 12.643 7.832 1.00 0.16 C ATOM 1654 O MET A 109 25.501 11.730 7.118 1.00 0.13 O ATOM 1655 CB MET A 109 26.050 14.915 6.722 1.00 0.14 C ATOM 1656 CG MET A 109 25.387 16.290 6.576 1.00 0.19 C ATOM 1657 SD MET A 109 26.607 17.477 5.949 1.00 0.30 S ATOM 1658 CE MET A 109 26.209 17.317 4.193 1.00 0.31 C ATOM 0 H MET A 109 25.850 15.441 9.180 1.00 0.09 H new ATOM 0 HA MET A 109 24.222 13.906 7.298 1.00 0.11 H new ATOM 0 HB2 MET A 109 27.068 15.029 7.093 1.00 0.14 H new ATOM 0 HB3 MET A 109 26.118 14.428 5.749 1.00 0.14 H new ATOM 0 HG2 MET A 109 24.539 16.228 5.894 1.00 0.19 H new ATOM 0 HG3 MET A 109 24.998 16.624 7.538 1.00 0.19 H new ATOM 0 HE1 MET A 109 26.924 17.892 3.604 1.00 0.31 H new ATOM 0 HE2 MET A 109 26.260 16.268 3.902 1.00 0.31 H new ATOM 0 HE3 MET A 109 25.203 17.695 4.012 1.00 0.31 H new ATOM 1668 N THR A 110 26.815 12.451 8.725 1.00 0.24 N ATOM 1669 CA THR A 110 27.449 11.112 8.863 1.00 0.31 C ATOM 1670 C THR A 110 26.623 10.211 9.800 1.00 0.31 C ATOM 1671 O THR A 110 26.444 9.038 9.542 1.00 0.31 O ATOM 1672 CB THR A 110 28.879 11.322 9.420 1.00 0.44 C ATOM 1673 OG1 THR A 110 29.165 12.709 9.442 1.00 0.59 O ATOM 1674 CG2 THR A 110 29.908 10.623 8.530 1.00 0.43 C ATOM 0 H THR A 110 27.172 13.167 9.358 1.00 0.24 H new ATOM 0 HA THR A 110 27.492 10.614 7.895 1.00 0.31 H new ATOM 0 HB THR A 110 28.932 10.902 10.425 1.00 0.44 H new ATOM 0 HG1 THR A 110 28.557 13.158 10.066 1.00 0.59 H new ATOM 0 HG21 THR A 110 30.907 10.781 8.936 1.00 0.43 H new ATOM 0 HG22 THR A 110 29.694 9.555 8.497 1.00 0.43 H new ATOM 0 HG23 THR A 110 29.857 11.035 7.522 1.00 0.43 H new ATOM 1682 N ASN A 111 26.139 10.739 10.894 1.00 0.33 N ATOM 1683 CA ASN A 111 25.352 9.897 11.840 1.00 0.40 C ATOM 1684 C ASN A 111 24.090 9.383 11.154 1.00 0.35 C ATOM 1685 O ASN A 111 23.547 8.356 11.508 1.00 0.36 O ATOM 1686 CB ASN A 111 24.967 10.728 13.064 1.00 0.45 C ATOM 1687 CG ASN A 111 24.320 9.822 14.115 1.00 0.36 C ATOM 1688 OD1 ASN A 111 23.279 9.241 13.876 1.00 1.01 O ATOM 1689 ND2 ASN A 111 24.895 9.678 15.277 1.00 0.72 N ATOM 0 H ASN A 111 26.255 11.714 11.172 1.00 0.33 H new ATOM 0 HA ASN A 111 25.959 9.047 12.152 1.00 0.40 H new ATOM 0 HB2 ASN A 111 25.850 11.212 13.480 1.00 0.45 H new ATOM 0 HB3 ASN A 111 24.275 11.520 12.776 1.00 0.45 H new ATOM 0 HD21 ASN A 111 24.471 9.078 15.985 1.00 0.72 H new ATOM 0 HD22 ASN A 111 25.768 10.165 15.478 1.00 0.72 H new ATOM 1696 N LEU A 112 23.615 10.100 10.185 1.00 0.32 N ATOM 1697 CA LEU A 112 22.375 9.673 9.474 1.00 0.30 C ATOM 1698 C LEU A 112 22.576 8.303 8.833 1.00 0.33 C ATOM 1699 O LEU A 112 21.645 7.551 8.627 1.00 0.38 O ATOM 1700 CB LEU A 112 22.022 10.716 8.394 1.00 0.30 C ATOM 1701 CG LEU A 112 21.068 11.773 8.981 1.00 0.28 C ATOM 1702 CD1 LEU A 112 20.892 12.920 7.976 1.00 0.28 C ATOM 1703 CD2 LEU A 112 19.693 11.137 9.312 1.00 0.37 C ATOM 0 H LEU A 112 24.030 10.969 9.848 1.00 0.32 H new ATOM 0 HA LEU A 112 21.557 9.601 10.191 1.00 0.30 H new ATOM 0 HB2 LEU A 112 22.930 11.196 8.028 1.00 0.30 H new ATOM 0 HB3 LEU A 112 21.555 10.225 7.540 1.00 0.30 H new ATOM 0 HG LEU A 112 21.496 12.165 9.904 1.00 0.28 H new ATOM 0 HD11 LEU A 112 20.217 13.668 8.392 1.00 0.28 H new ATOM 0 HD12 LEU A 112 21.860 13.378 7.773 1.00 0.28 H new ATOM 0 HD13 LEU A 112 20.474 12.530 7.048 1.00 0.28 H new ATOM 0 HD21 LEU A 112 19.031 11.897 9.726 1.00 0.37 H new ATOM 0 HD22 LEU A 112 19.253 10.728 8.402 1.00 0.37 H new ATOM 0 HD23 LEU A 112 19.828 10.338 10.041 1.00 0.37 H new ATOM 1715 N GLY A 113 23.781 7.990 8.518 1.00 0.32 N ATOM 1716 CA GLY A 113 24.085 6.674 7.879 1.00 0.37 C ATOM 1717 C GLY A 113 24.012 6.824 6.361 1.00 0.25 C ATOM 1718 O GLY A 113 23.675 5.901 5.647 1.00 0.19 O ATOM 0 H GLY A 113 24.592 8.589 8.672 1.00 0.32 H new ATOM 0 HA2 GLY A 113 25.077 6.333 8.175 1.00 0.37 H new ATOM 0 HA3 GLY A 113 23.374 5.920 8.216 1.00 0.37 H new ATOM 1722 N GLU A 114 24.325 7.988 5.864 1.00 0.29 N ATOM 1723 CA GLU A 114 24.279 8.220 4.396 1.00 0.29 C ATOM 1724 C GLU A 114 25.553 7.638 3.759 1.00 0.33 C ATOM 1725 O GLU A 114 26.592 7.590 4.388 1.00 0.42 O ATOM 1726 CB GLU A 114 24.215 9.739 4.154 1.00 0.49 C ATOM 1727 CG GLU A 114 22.824 10.254 4.526 1.00 0.43 C ATOM 1728 CD GLU A 114 21.813 9.838 3.453 1.00 0.82 C ATOM 1729 OE1 GLU A 114 22.232 9.591 2.333 1.00 1.66 O ATOM 1730 OE2 GLU A 114 20.636 9.776 3.770 1.00 1.36 O ATOM 0 H GLU A 114 24.613 8.795 6.418 1.00 0.29 H new ATOM 0 HA GLU A 114 23.408 7.738 3.953 1.00 0.29 H new ATOM 0 HB2 GLU A 114 24.974 10.246 4.750 1.00 0.49 H new ATOM 0 HB3 GLU A 114 24.430 9.961 3.109 1.00 0.49 H new ATOM 0 HG2 GLU A 114 22.525 9.854 5.495 1.00 0.43 H new ATOM 0 HG3 GLU A 114 22.841 11.340 4.621 1.00 0.43 H new ATOM 1737 N LYS A 115 25.499 7.189 2.520 1.00 0.30 N ATOM 1738 CA LYS A 115 26.721 6.624 1.885 1.00 0.33 C ATOM 1739 C LYS A 115 27.593 7.781 1.418 1.00 0.36 C ATOM 1740 O LYS A 115 28.142 7.788 0.335 1.00 0.37 O ATOM 1741 CB LYS A 115 26.326 5.773 0.684 1.00 0.39 C ATOM 1742 CG LYS A 115 25.791 4.414 1.156 1.00 0.43 C ATOM 1743 CD LYS A 115 25.003 3.755 0.021 1.00 0.57 C ATOM 1744 CE LYS A 115 24.757 2.284 0.356 1.00 0.65 C ATOM 1745 NZ LYS A 115 23.754 1.723 -0.591 1.00 1.66 N ATOM 0 H LYS A 115 24.665 7.193 1.933 1.00 0.30 H new ATOM 0 HA LYS A 115 27.263 6.003 2.599 1.00 0.33 H new ATOM 0 HB2 LYS A 115 25.566 6.288 0.097 1.00 0.39 H new ATOM 0 HB3 LYS A 115 27.187 5.627 0.032 1.00 0.39 H new ATOM 0 HG2 LYS A 115 26.617 3.772 1.461 1.00 0.43 H new ATOM 0 HG3 LYS A 115 25.151 4.546 2.029 1.00 0.43 H new ATOM 0 HD2 LYS A 115 24.053 4.270 -0.123 1.00 0.57 H new ATOM 0 HD3 LYS A 115 25.555 3.838 -0.915 1.00 0.57 H new ATOM 0 HE2 LYS A 115 25.689 1.724 0.290 1.00 0.65 H new ATOM 0 HE3 LYS A 115 24.399 2.188 1.381 1.00 0.65 H new ATOM 0 HZ1 LYS A 115 23.585 0.722 -0.365 1.00 1.66 H new ATOM 0 HZ2 LYS A 115 22.863 2.252 -0.506 1.00 1.66 H new ATOM 0 HZ3 LYS A 115 24.113 1.802 -1.564 1.00 1.66 H new ATOM 1759 N LEU A 116 27.706 8.748 2.258 1.00 0.41 N ATOM 1760 CA LEU A 116 28.529 9.961 1.953 1.00 0.49 C ATOM 1761 C LEU A 116 29.976 9.720 2.396 1.00 0.50 C ATOM 1762 O LEU A 116 30.240 9.150 3.437 1.00 0.56 O ATOM 1763 CB LEU A 116 27.887 11.207 2.636 1.00 0.54 C ATOM 1764 CG LEU A 116 28.636 11.584 3.914 1.00 2.45 C ATOM 1765 CD1 LEU A 116 30.003 12.219 3.566 1.00 3.35 C ATOM 1766 CD2 LEU A 116 27.773 12.563 4.727 1.00 3.42 C ATOM 0 H LEU A 116 27.256 8.763 3.173 1.00 0.41 H new ATOM 0 HA LEU A 116 28.549 10.155 0.881 1.00 0.49 H new ATOM 0 HB2 LEU A 116 27.896 12.049 1.944 1.00 0.54 H new ATOM 0 HB3 LEU A 116 26.843 10.999 2.871 1.00 0.54 H new ATOM 0 HG LEU A 116 28.823 10.690 4.509 1.00 2.45 H new ATOM 0 HD11 LEU A 116 30.526 12.483 4.485 1.00 3.35 H new ATOM 0 HD12 LEU A 116 30.602 11.506 3.000 1.00 3.35 H new ATOM 0 HD13 LEU A 116 29.846 13.116 2.968 1.00 3.35 H new ATOM 0 HD21 LEU A 116 28.299 12.838 5.641 1.00 3.42 H new ATOM 0 HD22 LEU A 116 27.582 13.458 4.135 1.00 3.42 H new ATOM 0 HD23 LEU A 116 26.826 12.088 4.982 1.00 3.42 H new ATOM 1778 N THR A 117 30.912 10.198 1.616 1.00 0.52 N ATOM 1779 CA THR A 117 32.358 10.069 1.971 1.00 0.51 C ATOM 1780 C THR A 117 32.857 11.449 2.401 1.00 0.47 C ATOM 1781 O THR A 117 32.418 12.461 1.896 1.00 0.43 O ATOM 1782 CB THR A 117 33.153 9.601 0.753 1.00 0.50 C ATOM 1783 OG1 THR A 117 32.959 10.512 -0.320 1.00 0.48 O ATOM 1784 CG2 THR A 117 32.684 8.205 0.336 1.00 0.54 C ATOM 0 H THR A 117 30.732 10.679 0.735 1.00 0.52 H new ATOM 0 HA THR A 117 32.487 9.342 2.773 1.00 0.51 H new ATOM 0 HB THR A 117 34.212 9.562 1.006 1.00 0.50 H new ATOM 0 HG1 THR A 117 32.065 10.383 -0.701 1.00 0.48 H new ATOM 0 HG21 THR A 117 33.253 7.874 -0.533 1.00 0.54 H new ATOM 0 HG22 THR A 117 32.840 7.508 1.159 1.00 0.54 H new ATOM 0 HG23 THR A 117 31.624 8.237 0.084 1.00 0.54 H new ATOM 1792 N ASP A 118 33.758 11.505 3.337 1.00 0.48 N ATOM 1793 CA ASP A 118 34.265 12.829 3.803 1.00 0.45 C ATOM 1794 C ASP A 118 34.749 13.656 2.609 1.00 0.42 C ATOM 1795 O ASP A 118 34.870 14.863 2.689 1.00 0.50 O ATOM 1796 CB ASP A 118 35.420 12.614 4.781 1.00 0.48 C ATOM 1797 CG ASP A 118 34.890 11.971 6.065 1.00 0.64 C ATOM 1798 OD1 ASP A 118 33.681 11.891 6.208 1.00 0.80 O ATOM 1799 OD2 ASP A 118 35.702 11.570 6.882 1.00 1.52 O ATOM 0 H ASP A 118 34.167 10.694 3.801 1.00 0.48 H new ATOM 0 HA ASP A 118 33.458 13.366 4.302 1.00 0.45 H new ATOM 0 HB2 ASP A 118 36.179 11.976 4.329 1.00 0.48 H new ATOM 0 HB3 ASP A 118 35.899 13.566 5.010 1.00 0.48 H new ATOM 1804 N GLU A 119 35.036 13.023 1.508 1.00 0.34 N ATOM 1805 CA GLU A 119 35.521 13.788 0.318 1.00 0.35 C ATOM 1806 C GLU A 119 34.340 14.501 -0.358 1.00 0.36 C ATOM 1807 O GLU A 119 34.440 15.647 -0.748 1.00 0.46 O ATOM 1808 CB GLU A 119 36.199 12.836 -0.690 1.00 0.43 C ATOM 1809 CG GLU A 119 37.639 12.544 -0.249 1.00 0.57 C ATOM 1810 CD GLU A 119 38.293 11.581 -1.240 1.00 1.44 C ATOM 1811 OE1 GLU A 119 38.126 11.783 -2.430 1.00 2.37 O ATOM 1812 OE2 GLU A 119 38.952 10.657 -0.790 1.00 1.84 O ATOM 0 H GLU A 119 34.958 12.015 1.376 1.00 0.34 H new ATOM 0 HA GLU A 119 36.249 14.528 0.649 1.00 0.35 H new ATOM 0 HB2 GLU A 119 35.636 11.906 -0.760 1.00 0.43 H new ATOM 0 HB3 GLU A 119 36.198 13.284 -1.684 1.00 0.43 H new ATOM 0 HG2 GLU A 119 38.209 13.471 -0.197 1.00 0.57 H new ATOM 0 HG3 GLU A 119 37.643 12.111 0.751 1.00 0.57 H new ATOM 1819 N GLU A 120 33.225 13.837 -0.506 1.00 0.34 N ATOM 1820 CA GLU A 120 32.059 14.496 -1.166 1.00 0.35 C ATOM 1821 C GLU A 120 31.617 15.709 -0.347 1.00 0.29 C ATOM 1822 O GLU A 120 31.336 16.760 -0.887 1.00 0.41 O ATOM 1823 CB GLU A 120 30.897 13.502 -1.281 1.00 0.37 C ATOM 1824 CG GLU A 120 31.175 12.517 -2.420 1.00 0.47 C ATOM 1825 CD GLU A 120 30.085 11.441 -2.437 1.00 0.41 C ATOM 1826 OE1 GLU A 120 30.086 10.611 -1.543 1.00 0.50 O ATOM 1827 OE2 GLU A 120 29.269 11.468 -3.342 1.00 0.31 O ATOM 0 H GLU A 120 33.071 12.876 -0.202 1.00 0.34 H new ATOM 0 HA GLU A 120 32.353 14.823 -2.163 1.00 0.35 H new ATOM 0 HB2 GLU A 120 30.772 12.962 -0.342 1.00 0.37 H new ATOM 0 HB3 GLU A 120 29.965 14.036 -1.468 1.00 0.37 H new ATOM 0 HG2 GLU A 120 31.197 13.044 -3.374 1.00 0.47 H new ATOM 0 HG3 GLU A 120 32.154 12.057 -2.287 1.00 0.47 H new ATOM 1834 N VAL A 121 31.557 15.581 0.949 1.00 0.13 N ATOM 1835 CA VAL A 121 31.133 16.739 1.786 1.00 0.15 C ATOM 1836 C VAL A 121 32.201 17.832 1.697 1.00 0.14 C ATOM 1837 O VAL A 121 31.898 19.006 1.646 1.00 0.20 O ATOM 1838 CB VAL A 121 30.929 16.266 3.242 1.00 0.22 C ATOM 1839 CG1 VAL A 121 31.114 17.429 4.228 1.00 0.17 C ATOM 1840 CG2 VAL A 121 29.503 15.719 3.401 1.00 0.60 C ATOM 0 H VAL A 121 31.782 14.729 1.463 1.00 0.13 H new ATOM 0 HA VAL A 121 30.189 17.149 1.427 1.00 0.15 H new ATOM 0 HB VAL A 121 31.667 15.494 3.457 1.00 0.22 H new ATOM 0 HG11 VAL A 121 30.965 17.070 5.246 1.00 0.17 H new ATOM 0 HG12 VAL A 121 32.122 17.833 4.129 1.00 0.17 H new ATOM 0 HG13 VAL A 121 30.387 18.211 4.009 1.00 0.17 H new ATOM 0 HG21 VAL A 121 29.354 15.384 4.427 1.00 0.60 H new ATOM 0 HG22 VAL A 121 28.784 16.504 3.168 1.00 0.60 H new ATOM 0 HG23 VAL A 121 29.357 14.880 2.721 1.00 0.60 H new ATOM 1850 N ASP A 122 33.443 17.453 1.673 1.00 0.14 N ATOM 1851 CA ASP A 122 34.526 18.475 1.581 1.00 0.21 C ATOM 1852 C ASP A 122 34.229 19.417 0.411 1.00 0.26 C ATOM 1853 O ASP A 122 34.512 20.598 0.465 1.00 0.30 O ATOM 1854 CB ASP A 122 35.875 17.786 1.357 1.00 0.26 C ATOM 1855 CG ASP A 122 36.299 17.068 2.640 1.00 0.27 C ATOM 1856 OD1 ASP A 122 35.758 17.393 3.685 1.00 1.01 O ATOM 1857 OD2 ASP A 122 37.159 16.208 2.554 1.00 1.08 O ATOM 0 H ASP A 122 33.759 16.484 1.713 1.00 0.14 H new ATOM 0 HA ASP A 122 34.569 19.044 2.510 1.00 0.21 H new ATOM 0 HB2 ASP A 122 35.800 17.073 0.536 1.00 0.26 H new ATOM 0 HB3 ASP A 122 36.628 18.521 1.073 1.00 0.26 H new ATOM 1862 N GLU A 123 33.640 18.910 -0.641 1.00 0.26 N ATOM 1863 CA GLU A 123 33.307 19.783 -1.801 1.00 0.32 C ATOM 1864 C GLU A 123 32.098 20.636 -1.402 1.00 0.31 C ATOM 1865 O GLU A 123 32.062 21.832 -1.608 1.00 0.40 O ATOM 1866 CB GLU A 123 33.010 18.876 -3.031 1.00 0.37 C ATOM 1867 CG GLU A 123 31.644 19.187 -3.661 1.00 0.81 C ATOM 1868 CD GLU A 123 31.466 18.349 -4.928 1.00 1.06 C ATOM 1869 OE1 GLU A 123 32.077 17.298 -5.010 1.00 1.48 O ATOM 1870 OE2 GLU A 123 30.723 18.777 -5.796 1.00 1.76 O ATOM 0 H GLU A 123 33.376 17.930 -0.745 1.00 0.26 H new ATOM 0 HA GLU A 123 34.128 20.447 -2.071 1.00 0.32 H new ATOM 0 HB2 GLU A 123 33.792 19.011 -3.778 1.00 0.37 H new ATOM 0 HB3 GLU A 123 33.038 17.830 -2.725 1.00 0.37 H new ATOM 0 HG2 GLU A 123 30.846 18.968 -2.952 1.00 0.81 H new ATOM 0 HG3 GLU A 123 31.575 20.248 -3.901 1.00 0.81 H new ATOM 1877 N MET A 124 31.119 20.020 -0.814 1.00 0.27 N ATOM 1878 CA MET A 124 29.915 20.768 -0.369 1.00 0.29 C ATOM 1879 C MET A 124 30.346 21.852 0.624 1.00 0.27 C ATOM 1880 O MET A 124 29.710 22.880 0.757 1.00 0.26 O ATOM 1881 CB MET A 124 28.937 19.788 0.269 1.00 0.29 C ATOM 1882 CG MET A 124 28.555 18.690 -0.739 1.00 0.37 C ATOM 1883 SD MET A 124 26.928 18.017 -0.304 1.00 0.55 S ATOM 1884 CE MET A 124 27.442 16.329 0.106 1.00 0.96 C ATOM 0 H MET A 124 31.100 19.019 -0.620 1.00 0.27 H new ATOM 0 HA MET A 124 29.420 21.250 -1.212 1.00 0.29 H new ATOM 0 HB2 MET A 124 29.386 19.339 1.155 1.00 0.29 H new ATOM 0 HB3 MET A 124 28.043 20.317 0.598 1.00 0.29 H new ATOM 0 HG2 MET A 124 28.534 19.099 -1.749 1.00 0.37 H new ATOM 0 HG3 MET A 124 29.303 17.897 -0.732 1.00 0.37 H new ATOM 0 HE1 MET A 124 26.560 15.713 0.282 1.00 0.96 H new ATOM 0 HE2 MET A 124 28.016 15.912 -0.722 1.00 0.96 H new ATOM 0 HE3 MET A 124 28.059 16.345 1.004 1.00 0.96 H new ATOM 1894 N ILE A 125 31.439 21.632 1.307 1.00 0.26 N ATOM 1895 CA ILE A 125 31.949 22.646 2.282 1.00 0.25 C ATOM 1896 C ILE A 125 32.675 23.781 1.528 1.00 0.28 C ATOM 1897 O ILE A 125 32.720 24.906 1.986 1.00 0.27 O ATOM 1898 CB ILE A 125 32.912 21.944 3.258 1.00 0.22 C ATOM 1899 CG1 ILE A 125 32.079 21.151 4.283 1.00 0.11 C ATOM 1900 CG2 ILE A 125 33.784 22.983 3.982 1.00 0.30 C ATOM 1901 CD1 ILE A 125 32.986 20.316 5.191 1.00 0.10 C ATOM 0 H ILE A 125 32.006 20.787 1.232 1.00 0.26 H new ATOM 0 HA ILE A 125 31.120 23.084 2.838 1.00 0.25 H new ATOM 0 HB ILE A 125 33.567 21.269 2.708 1.00 0.22 H new ATOM 0 HG12 ILE A 125 31.486 21.838 4.886 1.00 0.11 H new ATOM 0 HG13 ILE A 125 31.378 20.499 3.762 1.00 0.11 H new ATOM 0 HG21 ILE A 125 34.461 22.475 4.669 1.00 0.30 H new ATOM 0 HG22 ILE A 125 34.365 23.544 3.250 1.00 0.30 H new ATOM 0 HG23 ILE A 125 33.146 23.667 4.541 1.00 0.30 H new ATOM 0 HD11 ILE A 125 32.376 19.765 5.907 1.00 0.10 H new ATOM 0 HD12 ILE A 125 33.559 19.614 4.586 1.00 0.10 H new ATOM 0 HD13 ILE A 125 33.669 20.974 5.728 1.00 0.10 H new ATOM 1913 N ARG A 126 33.253 23.494 0.391 1.00 0.32 N ATOM 1914 CA ARG A 126 33.986 24.556 -0.370 1.00 0.37 C ATOM 1915 C ARG A 126 33.050 25.734 -0.689 1.00 0.41 C ATOM 1916 O ARG A 126 33.385 26.877 -0.446 1.00 0.47 O ATOM 1917 CB ARG A 126 34.544 23.962 -1.680 1.00 0.34 C ATOM 1918 CG ARG A 126 35.930 23.351 -1.428 1.00 0.52 C ATOM 1919 CD ARG A 126 36.409 22.589 -2.674 1.00 1.05 C ATOM 1920 NE ARG A 126 37.397 21.538 -2.263 1.00 1.39 N ATOM 1921 CZ ARG A 126 38.430 21.835 -1.521 1.00 1.21 C ATOM 1922 NH1 ARG A 126 38.759 23.081 -1.313 1.00 1.29 N ATOM 1923 NH2 ARG A 126 39.177 20.881 -1.036 1.00 1.88 N ATOM 0 H ARG A 126 33.251 22.572 -0.045 1.00 0.32 H new ATOM 0 HA ARG A 126 34.809 24.923 0.243 1.00 0.37 H new ATOM 0 HB2 ARG A 126 33.865 23.200 -2.062 1.00 0.34 H new ATOM 0 HB3 ARG A 126 34.612 24.739 -2.442 1.00 0.34 H new ATOM 0 HG2 ARG A 126 36.642 24.137 -1.178 1.00 0.52 H new ATOM 0 HG3 ARG A 126 35.888 22.675 -0.574 1.00 0.52 H new ATOM 0 HD2 ARG A 126 35.561 22.129 -3.181 1.00 1.05 H new ATOM 0 HD3 ARG A 126 36.868 23.279 -3.382 1.00 1.05 H new ATOM 0 HE ARG A 126 37.260 20.574 -2.568 1.00 1.39 H new ATOM 0 HH11 ARG A 126 38.208 23.831 -1.731 1.00 1.29 H new ATOM 0 HH12 ARG A 126 39.567 23.305 -0.732 1.00 1.29 H new ATOM 0 HH21 ARG A 126 38.953 19.906 -1.237 1.00 1.88 H new ATOM 0 HH22 ARG A 126 39.984 21.110 -0.456 1.00 1.88 H new ATOM 1937 N GLU A 127 31.897 25.481 -1.252 1.00 0.38 N ATOM 1938 CA GLU A 127 30.982 26.619 -1.596 1.00 0.44 C ATOM 1939 C GLU A 127 30.231 27.101 -0.338 1.00 0.49 C ATOM 1940 O GLU A 127 29.777 28.226 -0.281 1.00 0.59 O ATOM 1941 CB GLU A 127 29.976 26.170 -2.676 1.00 0.42 C ATOM 1942 CG GLU A 127 30.625 26.258 -4.060 1.00 0.41 C ATOM 1943 CD GLU A 127 31.846 25.338 -4.107 1.00 2.32 C ATOM 1944 OE1 GLU A 127 31.656 24.134 -4.159 1.00 2.93 O ATOM 1945 OE2 GLU A 127 32.952 25.854 -4.091 1.00 3.52 O ATOM 0 H GLU A 127 31.550 24.551 -1.487 1.00 0.38 H new ATOM 0 HA GLU A 127 31.576 27.447 -1.983 1.00 0.44 H new ATOM 0 HB2 GLU A 127 29.652 25.148 -2.481 1.00 0.42 H new ATOM 0 HB3 GLU A 127 29.086 26.799 -2.641 1.00 0.42 H new ATOM 0 HG2 GLU A 127 29.908 25.969 -4.829 1.00 0.41 H new ATOM 0 HG3 GLU A 127 30.922 27.286 -4.270 1.00 0.41 H new ATOM 1952 N ALA A 128 30.128 26.284 0.678 1.00 0.41 N ATOM 1953 CA ALA A 128 29.460 26.712 1.926 1.00 0.44 C ATOM 1954 C ALA A 128 30.521 27.301 2.826 1.00 0.50 C ATOM 1955 O ALA A 128 30.970 26.656 3.741 1.00 0.44 O ATOM 1956 CB ALA A 128 28.834 25.523 2.636 1.00 0.34 C ATOM 0 H ALA A 128 30.485 25.329 0.689 1.00 0.41 H new ATOM 0 HA ALA A 128 28.676 27.433 1.695 1.00 0.44 H new ATOM 0 HB1 ALA A 128 28.348 25.860 3.551 1.00 0.34 H new ATOM 0 HB2 ALA A 128 28.095 25.057 1.984 1.00 0.34 H new ATOM 0 HB3 ALA A 128 29.609 24.797 2.883 1.00 0.34 H new ATOM 1962 N ASP A 129 30.937 28.494 2.539 1.00 0.63 N ATOM 1963 CA ASP A 129 32.007 29.169 3.343 1.00 0.72 C ATOM 1964 C ASP A 129 31.806 28.852 4.829 1.00 0.66 C ATOM 1965 O ASP A 129 31.197 29.591 5.576 1.00 0.69 O ATOM 1966 CB ASP A 129 31.918 30.683 3.109 1.00 0.85 C ATOM 1967 CG ASP A 129 31.505 30.952 1.662 1.00 1.00 C ATOM 1968 OD1 ASP A 129 32.374 30.948 0.805 1.00 2.11 O ATOM 1969 OD2 ASP A 129 30.325 31.156 1.430 1.00 0.79 O ATOM 0 H ASP A 129 30.578 29.051 1.764 1.00 0.63 H new ATOM 0 HA ASP A 129 32.990 28.810 3.037 1.00 0.72 H new ATOM 0 HB2 ASP A 129 31.194 31.125 3.793 1.00 0.85 H new ATOM 0 HB3 ASP A 129 32.880 31.151 3.317 1.00 0.85 H new ATOM 1974 N ILE A 130 32.274 27.703 5.215 1.00 0.58 N ATOM 1975 CA ILE A 130 32.098 27.210 6.607 1.00 0.52 C ATOM 1976 C ILE A 130 33.124 27.824 7.560 1.00 0.60 C ATOM 1977 O ILE A 130 33.147 27.548 8.743 1.00 0.65 O ATOM 1978 CB ILE A 130 32.248 25.675 6.531 1.00 0.47 C ATOM 1979 CG1 ILE A 130 30.907 25.012 6.028 1.00 0.36 C ATOM 1980 CG2 ILE A 130 32.731 25.101 7.863 1.00 0.54 C ATOM 1981 CD1 ILE A 130 30.455 23.844 6.929 1.00 0.31 C ATOM 0 H ILE A 130 32.787 27.065 4.606 1.00 0.58 H new ATOM 0 HA ILE A 130 31.124 27.497 7.005 1.00 0.52 H new ATOM 0 HB ILE A 130 33.017 25.433 5.797 1.00 0.47 H new ATOM 0 HG12 ILE A 130 30.122 25.767 5.995 1.00 0.36 H new ATOM 0 HG13 ILE A 130 31.044 24.650 5.009 1.00 0.36 H new ATOM 0 HG21 ILE A 130 32.827 24.018 7.779 1.00 0.54 H new ATOM 0 HG22 ILE A 130 33.699 25.533 8.116 1.00 0.54 H new ATOM 0 HG23 ILE A 130 32.011 25.342 8.645 1.00 0.54 H new ATOM 0 HD11 ILE A 130 29.528 23.422 6.540 1.00 0.31 H new ATOM 0 HD12 ILE A 130 31.227 23.074 6.942 1.00 0.31 H new ATOM 0 HD13 ILE A 130 30.290 24.209 7.943 1.00 0.31 H new ATOM 2024 N GLY A 134 32.268 30.457 11.785 1.00 0.54 N ATOM 2025 CA GLY A 134 32.387 29.292 12.716 1.00 0.64 C ATOM 2026 C GLY A 134 31.063 28.527 12.739 1.00 0.44 C ATOM 2027 O GLY A 134 31.013 27.357 13.061 1.00 0.43 O ATOM 0 HA2 GLY A 134 33.195 28.635 12.393 1.00 0.64 H new ATOM 0 HA3 GLY A 134 32.638 29.637 13.719 1.00 0.64 H new ATOM 2031 N GLN A 135 29.994 29.190 12.387 1.00 0.43 N ATOM 2032 CA GLN A 135 28.647 28.541 12.363 1.00 0.32 C ATOM 2033 C GLN A 135 28.061 28.721 10.962 1.00 0.46 C ATOM 2034 O GLN A 135 28.478 29.591 10.224 1.00 0.71 O ATOM 2035 CB GLN A 135 27.743 29.215 13.402 1.00 0.42 C ATOM 2036 CG GLN A 135 28.525 29.430 14.703 1.00 0.43 C ATOM 2037 CD GLN A 135 27.553 29.678 15.859 1.00 0.47 C ATOM 2038 OE1 GLN A 135 26.649 28.899 16.087 1.00 0.21 O ATOM 2039 NE2 GLN A 135 27.700 30.741 16.602 1.00 1.13 N ATOM 0 H GLN A 135 29.996 30.172 12.110 1.00 0.43 H new ATOM 0 HA GLN A 135 28.724 27.480 12.601 1.00 0.32 H new ATOM 0 HB2 GLN A 135 27.383 30.170 13.020 1.00 0.42 H new ATOM 0 HB3 GLN A 135 26.866 28.596 13.591 1.00 0.42 H new ATOM 0 HG2 GLN A 135 29.142 28.557 14.916 1.00 0.43 H new ATOM 0 HG3 GLN A 135 29.201 30.279 14.596 1.00 0.43 H new ATOM 0 HE21 GLN A 135 28.459 31.396 16.411 1.00 1.13 H new ATOM 0 HE22 GLN A 135 27.056 30.917 17.373 1.00 1.13 H new ATOM 2048 N VAL A 136 27.114 27.904 10.570 1.00 0.36 N ATOM 2049 CA VAL A 136 26.538 28.037 9.201 1.00 0.49 C ATOM 2050 C VAL A 136 25.044 27.728 9.260 1.00 0.64 C ATOM 2051 O VAL A 136 24.593 26.942 10.076 1.00 0.66 O ATOM 2052 CB VAL A 136 27.234 27.017 8.288 1.00 0.32 C ATOM 2053 CG1 VAL A 136 27.168 27.443 6.812 1.00 0.49 C ATOM 2054 CG2 VAL A 136 28.700 26.879 8.700 1.00 0.31 C ATOM 0 H VAL A 136 26.718 27.155 11.138 1.00 0.36 H new ATOM 0 HA VAL A 136 26.685 29.047 8.818 1.00 0.49 H new ATOM 0 HB VAL A 136 26.716 26.064 8.395 1.00 0.32 H new ATOM 0 HG11 VAL A 136 27.670 26.698 6.195 1.00 0.49 H new ATOM 0 HG12 VAL A 136 26.126 27.526 6.504 1.00 0.49 H new ATOM 0 HG13 VAL A 136 27.661 28.407 6.689 1.00 0.49 H new ATOM 0 HG21 VAL A 136 29.194 26.155 8.052 1.00 0.31 H new ATOM 0 HG22 VAL A 136 29.196 27.845 8.609 1.00 0.31 H new ATOM 0 HG23 VAL A 136 28.757 26.538 9.734 1.00 0.31 H new ATOM 2064 N ASN A 137 24.275 28.311 8.387 1.00 0.82 N ATOM 2065 CA ASN A 137 22.819 28.014 8.382 1.00 0.99 C ATOM 2066 C ASN A 137 22.600 26.737 7.591 1.00 0.90 C ATOM 2067 O ASN A 137 22.381 26.748 6.397 1.00 1.34 O ATOM 2068 CB ASN A 137 22.001 29.144 7.749 1.00 1.16 C ATOM 2069 CG ASN A 137 20.519 28.962 8.085 1.00 1.12 C ATOM 2070 OD1 ASN A 137 20.163 28.119 8.882 1.00 2.03 O ATOM 2071 ND2 ASN A 137 19.633 29.726 7.507 1.00 1.85 N ATOM 0 H ASN A 137 24.589 28.976 7.681 1.00 0.82 H new ATOM 0 HA ASN A 137 22.485 27.907 9.414 1.00 0.99 H new ATOM 0 HB2 ASN A 137 22.351 30.109 8.117 1.00 1.16 H new ATOM 0 HB3 ASN A 137 22.141 29.145 6.668 1.00 1.16 H new ATOM 0 HD21 ASN A 137 18.643 29.614 7.725 1.00 1.85 H new ATOM 0 HD22 ASN A 137 19.931 30.435 6.837 1.00 1.85 H new ATOM 2078 N TYR A 138 22.650 25.641 8.275 1.00 1.08 N ATOM 2079 CA TYR A 138 22.432 24.320 7.642 1.00 0.95 C ATOM 2080 C TYR A 138 21.327 24.362 6.570 1.00 0.85 C ATOM 2081 O TYR A 138 21.254 23.490 5.730 1.00 0.68 O ATOM 2082 CB TYR A 138 21.978 23.368 8.751 1.00 1.10 C ATOM 2083 CG TYR A 138 20.553 23.694 9.213 1.00 0.72 C ATOM 2084 CD1 TYR A 138 20.049 25.015 9.246 1.00 1.93 C ATOM 2085 CD2 TYR A 138 19.738 22.653 9.635 1.00 0.80 C ATOM 2086 CE1 TYR A 138 18.768 25.275 9.684 1.00 1.82 C ATOM 2087 CE2 TYR A 138 18.431 22.912 10.088 1.00 1.18 C ATOM 2088 CZ TYR A 138 17.947 24.228 10.111 1.00 0.91 C ATOM 2089 OH TYR A 138 16.665 24.488 10.555 1.00 1.32 O ATOM 0 H TYR A 138 22.838 25.603 9.277 1.00 1.08 H new ATOM 0 HA TYR A 138 23.355 24.004 7.156 1.00 0.95 H new ATOM 0 HB2 TYR A 138 22.020 22.340 8.391 1.00 1.10 H new ATOM 0 HB3 TYR A 138 22.662 23.438 9.597 1.00 1.10 H new ATOM 0 HD1 TYR A 138 20.677 25.832 8.923 1.00 1.93 H new ATOM 0 HD2 TYR A 138 20.109 21.639 9.616 1.00 0.80 H new ATOM 0 HE1 TYR A 138 18.398 26.290 9.697 1.00 1.82 H new ATOM 0 HE2 TYR A 138 17.802 22.098 10.417 1.00 1.18 H new ATOM 0 HH TYR A 138 16.231 23.648 10.813 1.00 1.32 H new ATOM 2099 N GLU A 139 20.461 25.337 6.586 1.00 1.01 N ATOM 2100 CA GLU A 139 19.382 25.383 5.574 1.00 0.96 C ATOM 2101 C GLU A 139 19.985 25.222 4.175 1.00 0.78 C ATOM 2102 O GLU A 139 19.456 24.515 3.342 1.00 0.76 O ATOM 2103 CB GLU A 139 18.647 26.728 5.713 1.00 1.05 C ATOM 2104 CG GLU A 139 17.878 27.040 4.436 1.00 1.15 C ATOM 2105 CD GLU A 139 16.861 28.152 4.698 1.00 1.36 C ATOM 2106 OE1 GLU A 139 16.009 27.960 5.551 1.00 1.30 O ATOM 2107 OE2 GLU A 139 16.951 29.177 4.040 1.00 2.40 O ATOM 0 H GLU A 139 20.458 26.103 7.260 1.00 1.01 H new ATOM 0 HA GLU A 139 18.672 24.571 5.727 1.00 0.96 H new ATOM 0 HB2 GLU A 139 17.961 26.690 6.559 1.00 1.05 H new ATOM 0 HB3 GLU A 139 19.364 27.523 5.918 1.00 1.05 H new ATOM 0 HG2 GLU A 139 18.569 27.345 3.651 1.00 1.15 H new ATOM 0 HG3 GLU A 139 17.367 26.145 4.081 1.00 1.15 H new ATOM 2114 N GLU A 140 21.082 25.872 3.906 1.00 0.69 N ATOM 2115 CA GLU A 140 21.702 25.745 2.559 1.00 0.52 C ATOM 2116 C GLU A 140 22.261 24.329 2.387 1.00 0.43 C ATOM 2117 O GLU A 140 22.188 23.743 1.326 1.00 0.40 O ATOM 2118 CB GLU A 140 22.838 26.763 2.424 1.00 0.48 C ATOM 2119 CG GLU A 140 22.299 28.166 2.714 1.00 1.18 C ATOM 2120 CD GLU A 140 21.344 28.587 1.596 1.00 1.32 C ATOM 2121 OE1 GLU A 140 21.803 28.735 0.476 1.00 1.23 O ATOM 2122 OE2 GLU A 140 20.169 28.753 1.880 1.00 2.63 O ATOM 0 H GLU A 140 21.574 26.483 4.558 1.00 0.69 H new ATOM 0 HA GLU A 140 20.951 25.935 1.792 1.00 0.52 H new ATOM 0 HB2 GLU A 140 23.643 26.520 3.117 1.00 0.48 H new ATOM 0 HB3 GLU A 140 23.259 26.724 1.420 1.00 0.48 H new ATOM 0 HG2 GLU A 140 21.781 28.177 3.673 1.00 1.18 H new ATOM 0 HG3 GLU A 140 23.123 28.875 2.789 1.00 1.18 H new ATOM 2129 N PHE A 141 22.827 23.779 3.426 1.00 0.40 N ATOM 2130 CA PHE A 141 23.401 22.406 3.322 1.00 0.31 C ATOM 2131 C PHE A 141 22.264 21.376 3.188 1.00 0.38 C ATOM 2132 O PHE A 141 22.415 20.357 2.545 1.00 0.42 O ATOM 2133 CB PHE A 141 24.253 22.108 4.586 1.00 0.27 C ATOM 2134 CG PHE A 141 25.721 22.008 4.228 1.00 0.22 C ATOM 2135 CD1 PHE A 141 26.191 20.878 3.552 1.00 0.21 C ATOM 2136 CD2 PHE A 141 26.612 23.032 4.581 1.00 0.29 C ATOM 2137 CE1 PHE A 141 27.543 20.774 3.228 1.00 0.26 C ATOM 2138 CE2 PHE A 141 27.971 22.915 4.254 1.00 0.25 C ATOM 2139 CZ PHE A 141 28.428 21.789 3.580 1.00 0.23 C ATOM 0 H PHE A 141 22.917 24.220 4.342 1.00 0.40 H new ATOM 0 HA PHE A 141 24.037 22.340 2.440 1.00 0.31 H new ATOM 0 HB2 PHE A 141 24.106 22.896 5.324 1.00 0.27 H new ATOM 0 HB3 PHE A 141 23.921 21.176 5.044 1.00 0.27 H new ATOM 0 HD1 PHE A 141 25.508 20.087 3.281 1.00 0.21 H new ATOM 0 HD2 PHE A 141 26.253 23.907 5.102 1.00 0.29 H new ATOM 0 HE1 PHE A 141 27.905 19.903 2.702 1.00 0.26 H new ATOM 0 HE2 PHE A 141 28.662 23.699 4.526 1.00 0.25 H new ATOM 0 HZ PHE A 141 29.475 21.701 3.328 1.00 0.23 H new ATOM 2149 N VAL A 142 21.135 21.627 3.794 1.00 0.53 N ATOM 2150 CA VAL A 142 20.004 20.658 3.702 1.00 0.63 C ATOM 2151 C VAL A 142 19.565 20.521 2.239 1.00 0.70 C ATOM 2152 O VAL A 142 19.283 19.440 1.764 1.00 0.80 O ATOM 2153 CB VAL A 142 18.827 21.169 4.545 1.00 0.80 C ATOM 2154 CG1 VAL A 142 17.583 20.317 4.282 1.00 0.93 C ATOM 2155 CG2 VAL A 142 19.190 21.082 6.031 1.00 0.70 C ATOM 0 H VAL A 142 20.946 22.462 4.349 1.00 0.53 H new ATOM 0 HA VAL A 142 20.325 19.686 4.076 1.00 0.63 H new ATOM 0 HB VAL A 142 18.618 22.204 4.273 1.00 0.80 H new ATOM 0 HG11 VAL A 142 16.754 20.688 4.885 1.00 0.93 H new ATOM 0 HG12 VAL A 142 17.319 20.375 3.226 1.00 0.93 H new ATOM 0 HG13 VAL A 142 17.789 19.280 4.547 1.00 0.93 H new ATOM 0 HG21 VAL A 142 18.355 21.444 6.631 1.00 0.70 H new ATOM 0 HG22 VAL A 142 19.403 20.046 6.294 1.00 0.70 H new ATOM 0 HG23 VAL A 142 20.070 21.694 6.227 1.00 0.70 H new ATOM 2165 N GLN A 143 19.494 21.613 1.527 1.00 0.71 N ATOM 2166 CA GLN A 143 19.060 21.555 0.102 1.00 0.79 C ATOM 2167 C GLN A 143 20.181 20.972 -0.766 1.00 0.72 C ATOM 2168 O GLN A 143 19.948 20.511 -1.866 1.00 0.84 O ATOM 2169 CB GLN A 143 18.728 22.967 -0.385 1.00 0.85 C ATOM 2170 CG GLN A 143 17.571 23.536 0.440 1.00 1.05 C ATOM 2171 CD GLN A 143 17.267 24.960 -0.023 1.00 1.50 C ATOM 2172 OE1 GLN A 143 16.418 25.169 -0.868 1.00 1.53 O ATOM 2173 NE2 GLN A 143 17.926 25.960 0.497 1.00 2.48 N ATOM 0 H GLN A 143 19.719 22.546 1.872 1.00 0.71 H new ATOM 0 HA GLN A 143 18.178 20.919 0.024 1.00 0.79 H new ATOM 0 HB2 GLN A 143 19.604 23.609 -0.293 1.00 0.85 H new ATOM 0 HB3 GLN A 143 18.458 22.944 -1.441 1.00 0.85 H new ATOM 0 HG2 GLN A 143 16.687 22.909 0.327 1.00 1.05 H new ATOM 0 HG3 GLN A 143 17.830 23.534 1.499 1.00 1.05 H new ATOM 0 HE21 GLN A 143 18.639 25.788 1.206 1.00 2.48 H new ATOM 0 HE22 GLN A 143 17.728 26.914 0.194 1.00 2.48 H new ATOM 2182 N MET A 144 21.392 21.003 -0.289 1.00 0.56 N ATOM 2183 CA MET A 144 22.525 20.464 -1.097 1.00 0.53 C ATOM 2184 C MET A 144 22.516 18.931 -1.069 1.00 0.54 C ATOM 2185 O MET A 144 22.768 18.287 -2.069 1.00 0.65 O ATOM 2186 CB MET A 144 23.855 20.988 -0.531 1.00 0.39 C ATOM 2187 CG MET A 144 24.131 22.400 -1.062 1.00 0.42 C ATOM 2188 SD MET A 144 25.448 23.165 -0.085 1.00 0.39 S ATOM 2189 CE MET A 144 25.011 24.886 -0.430 1.00 1.06 C ATOM 0 H MET A 144 21.649 21.377 0.624 1.00 0.56 H new ATOM 0 HA MET A 144 22.414 20.795 -2.129 1.00 0.53 H new ATOM 0 HB2 MET A 144 23.816 21.001 0.558 1.00 0.39 H new ATOM 0 HB3 MET A 144 24.668 20.319 -0.813 1.00 0.39 H new ATOM 0 HG2 MET A 144 24.421 22.355 -2.112 1.00 0.42 H new ATOM 0 HG3 MET A 144 23.225 23.004 -1.007 1.00 0.42 H new ATOM 0 HE1 MET A 144 25.708 25.548 0.084 1.00 1.06 H new ATOM 0 HE2 MET A 144 25.064 25.067 -1.504 1.00 1.06 H new ATOM 0 HE3 MET A 144 23.998 25.082 -0.079 1.00 1.06 H new ATOM 2199 N MET A 145 22.239 18.338 0.057 1.00 0.46 N ATOM 2200 CA MET A 145 22.230 16.850 0.119 1.00 0.48 C ATOM 2201 C MET A 145 21.087 16.311 -0.745 1.00 0.63 C ATOM 2202 O MET A 145 21.080 15.160 -1.134 1.00 0.71 O ATOM 2203 CB MET A 145 22.043 16.389 1.572 1.00 0.36 C ATOM 2204 CG MET A 145 23.276 16.781 2.428 1.00 0.26 C ATOM 2205 SD MET A 145 23.896 15.331 3.331 1.00 0.24 S ATOM 2206 CE MET A 145 22.473 15.093 4.425 1.00 0.25 C ATOM 0 H MET A 145 22.020 18.814 0.932 1.00 0.46 H new ATOM 0 HA MET A 145 23.180 16.468 -0.255 1.00 0.48 H new ATOM 0 HB2 MET A 145 21.144 16.841 1.990 1.00 0.36 H new ATOM 0 HB3 MET A 145 21.900 15.309 1.602 1.00 0.36 H new ATOM 0 HG2 MET A 145 24.061 17.183 1.787 1.00 0.26 H new ATOM 0 HG3 MET A 145 23.005 17.568 3.131 1.00 0.26 H new ATOM 0 HE1 MET A 145 22.822 14.823 5.422 1.00 0.25 H new ATOM 0 HE2 MET A 145 21.897 16.017 4.479 1.00 0.25 H new ATOM 0 HE3 MET A 145 21.842 14.295 4.033 1.00 0.25 H new ATOM 2216 N THR A 146 20.120 17.133 -1.043 1.00 0.68 N ATOM 2217 CA THR A 146 18.977 16.689 -1.868 1.00 0.83 C ATOM 2218 C THR A 146 19.368 16.732 -3.348 1.00 0.87 C ATOM 2219 O THR A 146 19.425 15.726 -4.023 1.00 0.60 O ATOM 2220 CB THR A 146 17.809 17.651 -1.578 1.00 0.90 C ATOM 2221 OG1 THR A 146 18.308 18.771 -0.865 1.00 0.81 O ATOM 2222 CG2 THR A 146 16.739 16.958 -0.728 1.00 0.94 C ATOM 0 H THR A 146 20.078 18.107 -0.742 1.00 0.68 H new ATOM 0 HA THR A 146 18.686 15.665 -1.632 1.00 0.83 H new ATOM 0 HB THR A 146 17.362 17.963 -2.522 1.00 0.90 H new ATOM 0 HG1 THR A 146 18.607 19.456 -1.499 1.00 0.81 H new ATOM 0 HG21 THR A 146 15.922 17.653 -0.534 1.00 0.94 H new ATOM 0 HG22 THR A 146 16.356 16.089 -1.263 1.00 0.94 H new ATOM 0 HG23 THR A 146 17.176 16.638 0.218 1.00 0.94 H new