USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=18 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 Single : A 8 GLN : amide:sc= -0.0271 K(o=-0.027,f=-1.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 95:sc= 1.25 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= -0.0114 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00631 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -77:sc= 0.791 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 49 GLN : amide:sc= -0.124 K(o=-0.12,f=-2.5!) 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 180:sc= -0.126 (180deg=-0.126) USER MOD Single : A 72 MET CE :methyl -169:sc= -0.355 (180deg=-0.705) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -71:sc= 0.414 USER MOD Single : A 107 HIS : no HD1:sc= -0.0334 X(o=-0.033,f=-0.23) USER MOD Single : A 109 MET CE :methyl 178:sc= -2.64 (180deg=-2.66) USER MOD Single : A 110 THR OG1 : rot -58:sc= -1.2! USER MOD Single : A 111 ASN : amide:sc= -0.644 K(o=-0.64,f=-2.5!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -79:sc= 1.24 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.155 K(o=-0.15,f=-2!) USER MOD Single : A 137 ASN : amide:sc= -5.03! C(o=-5!,f=-7.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -149:sc= -0.118 (180deg=-1.79) USER MOD Single : A 146 THR OG1 : rot 35:sc= 0.0874 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 14.227 2.125 -3.042 1.00 0.33 N ATOM 106 CA GLN A 8 12.897 2.453 -2.456 1.00 0.33 C ATOM 107 C GLN A 8 11.856 1.459 -2.974 1.00 0.33 C ATOM 108 O GLN A 8 10.985 1.026 -2.245 1.00 0.35 O ATOM 109 CB GLN A 8 12.498 3.880 -2.849 1.00 0.32 C ATOM 110 CG GLN A 8 13.294 4.883 -2.010 1.00 0.33 C ATOM 111 CD GLN A 8 13.195 6.273 -2.638 1.00 0.37 C ATOM 112 OE1 GLN A 8 12.514 6.460 -3.627 1.00 0.28 O ATOM 113 NE2 GLN A 8 13.851 7.265 -2.102 1.00 0.78 N ATOM 0 HA GLN A 8 12.950 2.386 -1.369 1.00 0.33 H new ATOM 0 HB2 GLN A 8 12.690 4.044 -3.909 1.00 0.32 H new ATOM 0 HB3 GLN A 8 11.429 4.026 -2.692 1.00 0.32 H new ATOM 0 HG2 GLN A 8 12.909 4.906 -0.991 1.00 0.33 H new ATOM 0 HG3 GLN A 8 14.338 4.574 -1.950 1.00 0.33 H new ATOM 0 HE21 GLN A 8 14.423 7.109 -1.272 1.00 0.78 H new ATOM 0 HE22 GLN A 8 13.792 8.197 -2.513 1.00 0.78 H new ATOM 122 N ILE A 9 11.943 1.080 -4.221 1.00 0.32 N ATOM 123 CA ILE A 9 10.961 0.101 -4.769 1.00 0.32 C ATOM 124 C ILE A 9 11.187 -1.251 -4.089 1.00 0.35 C ATOM 125 O ILE A 9 10.259 -1.998 -3.845 1.00 0.35 O ATOM 126 CB ILE A 9 11.162 -0.035 -6.285 1.00 0.33 C ATOM 127 CG1 ILE A 9 10.679 1.244 -6.974 1.00 0.23 C ATOM 128 CG2 ILE A 9 10.358 -1.228 -6.815 1.00 0.44 C ATOM 129 CD1 ILE A 9 11.112 1.232 -8.443 1.00 0.26 C ATOM 0 H ILE A 9 12.649 1.405 -4.882 1.00 0.32 H new ATOM 0 HA ILE A 9 9.944 0.443 -4.579 1.00 0.32 H new ATOM 0 HB ILE A 9 12.220 -0.194 -6.494 1.00 0.33 H new ATOM 0 HG12 ILE A 9 9.594 1.318 -6.905 1.00 0.23 H new ATOM 0 HG13 ILE A 9 11.091 2.118 -6.470 1.00 0.23 H new ATOM 0 HG21 ILE A 9 10.506 -1.317 -7.891 1.00 0.44 H new ATOM 0 HG22 ILE A 9 10.696 -2.141 -6.325 1.00 0.44 H new ATOM 0 HG23 ILE A 9 9.299 -1.075 -6.606 1.00 0.44 H new ATOM 0 HD11 ILE A 9 10.767 2.143 -8.931 1.00 0.26 H new ATOM 0 HD12 ILE A 9 12.199 1.178 -8.501 1.00 0.26 H new ATOM 0 HD13 ILE A 9 10.678 0.366 -8.943 1.00 0.26 H new ATOM 141 N ALA A 10 12.415 -1.571 -3.780 1.00 0.37 N ATOM 142 CA ALA A 10 12.703 -2.872 -3.116 1.00 0.39 C ATOM 143 C ALA A 10 12.170 -2.842 -1.680 1.00 0.31 C ATOM 144 O ALA A 10 11.680 -3.828 -1.173 1.00 0.36 O ATOM 145 CB ALA A 10 14.217 -3.112 -3.101 1.00 0.47 C ATOM 0 H ALA A 10 13.231 -0.986 -3.960 1.00 0.37 H new ATOM 0 HA ALA A 10 12.215 -3.678 -3.664 1.00 0.39 H new ATOM 0 HB1 ALA A 10 14.430 -4.064 -2.615 1.00 0.47 H new ATOM 0 HB2 ALA A 10 14.592 -3.135 -4.124 1.00 0.47 H new ATOM 0 HB3 ALA A 10 14.707 -2.308 -2.553 1.00 0.47 H new ATOM 151 N GLU A 11 12.257 -1.719 -1.020 1.00 0.22 N ATOM 152 CA GLU A 11 11.748 -1.645 0.382 1.00 0.16 C ATOM 153 C GLU A 11 10.243 -1.857 0.380 1.00 0.10 C ATOM 154 O GLU A 11 9.678 -2.394 1.311 1.00 0.31 O ATOM 155 CB GLU A 11 12.030 -0.261 0.983 1.00 0.23 C ATOM 156 CG GLU A 11 13.529 -0.079 1.229 1.00 1.41 C ATOM 157 CD GLU A 11 13.757 1.065 2.221 1.00 1.28 C ATOM 158 OE1 GLU A 11 12.836 1.838 2.424 1.00 0.62 O ATOM 159 OE2 GLU A 11 14.849 1.145 2.759 1.00 2.33 O ATOM 0 H GLU A 11 12.655 -0.855 -1.387 1.00 0.22 H new ATOM 0 HA GLU A 11 12.249 -2.412 0.972 1.00 0.16 H new ATOM 0 HB2 GLU A 11 11.669 0.515 0.308 1.00 0.23 H new ATOM 0 HB3 GLU A 11 11.485 -0.147 1.920 1.00 0.23 H new ATOM 0 HG2 GLU A 11 13.957 -1.002 1.620 1.00 1.41 H new ATOM 0 HG3 GLU A 11 14.038 0.136 0.289 1.00 1.41 H new ATOM 166 N PHE A 12 9.588 -1.428 -0.653 1.00 0.25 N ATOM 167 CA PHE A 12 8.116 -1.592 -0.704 1.00 0.28 C ATOM 168 C PHE A 12 7.792 -3.021 -1.129 1.00 0.28 C ATOM 169 O PHE A 12 6.864 -3.628 -0.634 1.00 0.29 O ATOM 170 CB PHE A 12 7.530 -0.611 -1.717 1.00 0.36 C ATOM 171 CG PHE A 12 7.982 0.828 -1.467 1.00 0.31 C ATOM 172 CD1 PHE A 12 8.667 1.228 -0.288 1.00 2.08 C ATOM 173 CD2 PHE A 12 7.693 1.785 -2.450 1.00 2.20 C ATOM 174 CE1 PHE A 12 9.044 2.567 -0.126 1.00 2.08 C ATOM 175 CE2 PHE A 12 8.071 3.116 -2.275 1.00 2.17 C ATOM 176 CZ PHE A 12 8.746 3.509 -1.117 1.00 0.24 C ATOM 0 H PHE A 12 10.006 -0.971 -1.464 1.00 0.25 H new ATOM 0 HA PHE A 12 7.686 -1.393 0.278 1.00 0.28 H new ATOM 0 HB2 PHE A 12 7.825 -0.912 -2.722 1.00 0.36 H new ATOM 0 HB3 PHE A 12 6.442 -0.659 -1.677 1.00 0.36 H new ATOM 0 HD1 PHE A 12 8.896 0.503 0.479 1.00 2.08 H new ATOM 0 HD2 PHE A 12 7.174 1.489 -3.350 1.00 2.20 H new ATOM 0 HE1 PHE A 12 9.567 2.874 0.768 1.00 2.08 H new ATOM 0 HE2 PHE A 12 7.841 3.845 -3.038 1.00 2.17 H new ATOM 0 HZ PHE A 12 9.038 4.541 -0.986 1.00 0.24 H new ATOM 186 N LYS A 13 8.552 -3.573 -2.036 1.00 0.29 N ATOM 187 CA LYS A 13 8.278 -4.964 -2.474 1.00 0.29 C ATOM 188 C LYS A 13 8.483 -5.909 -1.292 1.00 0.34 C ATOM 189 O LYS A 13 7.789 -6.896 -1.147 1.00 0.52 O ATOM 190 CB LYS A 13 9.230 -5.340 -3.614 1.00 0.30 C ATOM 191 CG LYS A 13 9.028 -6.822 -4.002 1.00 0.30 C ATOM 192 CD LYS A 13 9.354 -7.030 -5.493 1.00 0.34 C ATOM 193 CE LYS A 13 8.116 -6.736 -6.348 1.00 0.41 C ATOM 194 NZ LYS A 13 8.451 -6.921 -7.788 1.00 0.94 N ATOM 0 H LYS A 13 9.346 -3.120 -2.489 1.00 0.29 H new ATOM 0 HA LYS A 13 7.251 -5.044 -2.829 1.00 0.29 H new ATOM 0 HB2 LYS A 13 9.047 -4.701 -4.478 1.00 0.30 H new ATOM 0 HB3 LYS A 13 10.262 -5.173 -3.307 1.00 0.30 H new ATOM 0 HG2 LYS A 13 9.669 -7.456 -3.390 1.00 0.30 H new ATOM 0 HG3 LYS A 13 7.999 -7.121 -3.802 1.00 0.30 H new ATOM 0 HD2 LYS A 13 10.174 -6.376 -5.789 1.00 0.34 H new ATOM 0 HD3 LYS A 13 9.687 -8.054 -5.661 1.00 0.34 H new ATOM 0 HE2 LYS A 13 7.300 -7.401 -6.065 1.00 0.41 H new ATOM 0 HE3 LYS A 13 7.773 -5.717 -6.172 1.00 0.41 H new ATOM 0 HZ1 LYS A 13 7.611 -6.722 -8.368 1.00 0.94 H new ATOM 0 HZ2 LYS A 13 9.217 -6.270 -8.053 1.00 0.94 H new ATOM 0 HZ3 LYS A 13 8.759 -7.901 -7.950 1.00 0.94 H new ATOM 208 N GLU A 14 9.423 -5.612 -0.434 1.00 0.22 N ATOM 209 CA GLU A 14 9.651 -6.495 0.745 1.00 0.27 C ATOM 210 C GLU A 14 8.502 -6.305 1.724 1.00 0.27 C ATOM 211 O GLU A 14 7.881 -7.247 2.175 1.00 0.29 O ATOM 212 CB GLU A 14 10.961 -6.105 1.438 1.00 0.33 C ATOM 213 CG GLU A 14 12.127 -6.046 0.416 1.00 0.35 C ATOM 214 CD GLU A 14 13.088 -7.227 0.624 1.00 0.60 C ATOM 215 OE1 GLU A 14 12.610 -8.303 0.947 1.00 1.46 O ATOM 216 OE2 GLU A 14 14.280 -7.032 0.455 1.00 1.14 O ATOM 0 H GLU A 14 10.039 -4.801 -0.498 1.00 0.22 H new ATOM 0 HA GLU A 14 9.708 -7.534 0.419 1.00 0.27 H new ATOM 0 HB2 GLU A 14 10.847 -5.136 1.923 1.00 0.33 H new ATOM 0 HB3 GLU A 14 11.193 -6.827 2.220 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.730 -6.068 -0.599 1.00 0.35 H new ATOM 0 HG3 GLU A 14 12.668 -5.106 0.527 1.00 0.35 H new ATOM 223 N ALA A 15 8.224 -5.082 2.058 1.00 0.25 N ATOM 224 CA ALA A 15 7.121 -4.797 3.017 1.00 0.27 C ATOM 225 C ALA A 15 5.785 -5.270 2.434 1.00 0.24 C ATOM 226 O ALA A 15 4.869 -5.612 3.157 1.00 0.25 O ATOM 227 CB ALA A 15 7.054 -3.292 3.286 1.00 0.27 C ATOM 0 H ALA A 15 8.715 -4.259 1.707 1.00 0.25 H new ATOM 0 HA ALA A 15 7.313 -5.328 3.949 1.00 0.27 H new ATOM 0 HB1 ALA A 15 6.247 -3.083 3.988 1.00 0.27 H new ATOM 0 HB2 ALA A 15 8.000 -2.956 3.711 1.00 0.27 H new ATOM 0 HB3 ALA A 15 6.868 -2.763 2.351 1.00 0.27 H new ATOM 233 N PHE A 16 5.665 -5.287 1.136 1.00 0.20 N ATOM 234 CA PHE A 16 4.388 -5.732 0.504 1.00 0.18 C ATOM 235 C PHE A 16 4.262 -7.254 0.568 1.00 0.15 C ATOM 236 O PHE A 16 3.219 -7.788 0.882 1.00 0.16 O ATOM 237 CB PHE A 16 4.376 -5.282 -0.955 1.00 0.14 C ATOM 238 CG PHE A 16 3.001 -5.478 -1.541 1.00 0.14 C ATOM 239 CD1 PHE A 16 2.669 -6.683 -2.170 1.00 0.14 C ATOM 240 CD2 PHE A 16 2.063 -4.439 -1.472 1.00 0.14 C ATOM 241 CE1 PHE A 16 1.399 -6.849 -2.733 1.00 0.14 C ATOM 242 CE2 PHE A 16 0.793 -4.609 -2.030 1.00 0.14 C ATOM 243 CZ PHE A 16 0.461 -5.810 -2.661 1.00 0.14 C ATOM 0 H PHE A 16 6.398 -5.011 0.482 1.00 0.20 H new ATOM 0 HA PHE A 16 3.549 -5.290 1.042 1.00 0.18 H new ATOM 0 HB2 PHE A 16 4.664 -4.233 -1.023 1.00 0.14 H new ATOM 0 HB3 PHE A 16 5.109 -5.852 -1.526 1.00 0.14 H new ATOM 0 HD1 PHE A 16 3.392 -7.484 -2.221 1.00 0.14 H new ATOM 0 HD2 PHE A 16 2.321 -3.508 -0.988 1.00 0.14 H new ATOM 0 HE1 PHE A 16 1.142 -7.777 -3.223 1.00 0.14 H new ATOM 0 HE2 PHE A 16 0.068 -3.811 -1.973 1.00 0.14 H new ATOM 0 HZ PHE A 16 -0.520 -5.938 -3.094 1.00 0.14 H new ATOM 253 N SER A 17 5.316 -7.956 0.260 1.00 0.15 N ATOM 254 CA SER A 17 5.255 -9.446 0.289 1.00 0.13 C ATOM 255 C SER A 17 5.114 -9.949 1.730 1.00 0.18 C ATOM 256 O SER A 17 4.777 -11.093 1.960 1.00 0.38 O ATOM 257 CB SER A 17 6.534 -10.014 -0.327 1.00 0.17 C ATOM 258 OG SER A 17 6.847 -9.289 -1.508 1.00 1.39 O ATOM 0 H SER A 17 6.218 -7.564 -0.011 1.00 0.15 H new ATOM 0 HA SER A 17 4.388 -9.777 -0.283 1.00 0.13 H new ATOM 0 HB2 SER A 17 7.356 -9.945 0.385 1.00 0.17 H new ATOM 0 HB3 SER A 17 6.402 -11.071 -0.559 1.00 0.17 H new ATOM 0 HG SER A 17 7.481 -8.573 -1.294 1.00 1.39 H new ATOM 264 N LEU A 18 5.373 -9.117 2.704 1.00 0.07 N ATOM 265 CA LEU A 18 5.251 -9.578 4.117 1.00 0.08 C ATOM 266 C LEU A 18 3.805 -10.003 4.398 1.00 0.12 C ATOM 267 O LEU A 18 3.555 -10.827 5.257 1.00 0.26 O ATOM 268 CB LEU A 18 5.636 -8.435 5.079 1.00 0.06 C ATOM 269 CG LEU A 18 7.163 -8.374 5.291 1.00 0.24 C ATOM 270 CD1 LEU A 18 7.508 -7.157 6.175 1.00 0.21 C ATOM 271 CD2 LEU A 18 7.668 -9.668 5.975 1.00 0.40 C ATOM 0 H LEU A 18 5.661 -8.146 2.584 1.00 0.07 H new ATOM 0 HA LEU A 18 5.921 -10.424 4.271 1.00 0.08 H new ATOM 0 HB2 LEU A 18 5.284 -7.485 4.678 1.00 0.06 H new ATOM 0 HB3 LEU A 18 5.139 -8.580 6.038 1.00 0.06 H new ATOM 0 HG LEU A 18 7.650 -8.278 4.320 1.00 0.24 H new ATOM 0 HD11 LEU A 18 8.586 -7.111 6.327 1.00 0.21 H new ATOM 0 HD12 LEU A 18 7.172 -6.244 5.684 1.00 0.21 H new ATOM 0 HD13 LEU A 18 7.010 -7.255 7.140 1.00 0.21 H new ATOM 0 HD21 LEU A 18 8.747 -9.607 6.117 1.00 0.40 H new ATOM 0 HD22 LEU A 18 7.181 -9.782 6.943 1.00 0.40 H new ATOM 0 HD23 LEU A 18 7.432 -10.527 5.347 1.00 0.40 H new ATOM 283 N PHE A 19 2.853 -9.428 3.702 1.00 0.04 N ATOM 284 CA PHE A 19 1.413 -9.770 3.948 1.00 0.10 C ATOM 285 C PHE A 19 0.785 -10.395 2.700 1.00 0.08 C ATOM 286 O PHE A 19 -0.413 -10.335 2.502 1.00 0.06 O ATOM 287 CB PHE A 19 0.678 -8.489 4.321 1.00 0.14 C ATOM 288 CG PHE A 19 1.385 -7.873 5.501 1.00 0.12 C ATOM 289 CD1 PHE A 19 2.551 -7.122 5.304 1.00 0.09 C ATOM 290 CD2 PHE A 19 0.886 -8.066 6.792 1.00 0.17 C ATOM 291 CE1 PHE A 19 3.216 -6.561 6.401 1.00 0.11 C ATOM 292 CE2 PHE A 19 1.552 -7.506 7.889 1.00 0.20 C ATOM 293 CZ PHE A 19 2.715 -6.752 7.694 1.00 0.16 C ATOM 0 H PHE A 19 3.011 -8.734 2.971 1.00 0.04 H new ATOM 0 HA PHE A 19 1.339 -10.497 4.757 1.00 0.10 H new ATOM 0 HB2 PHE A 19 0.668 -7.797 3.479 1.00 0.14 H new ATOM 0 HB3 PHE A 19 -0.361 -8.704 4.569 1.00 0.14 H new ATOM 0 HD1 PHE A 19 2.937 -6.976 4.306 1.00 0.09 H new ATOM 0 HD2 PHE A 19 -0.012 -8.646 6.943 1.00 0.17 H new ATOM 0 HE1 PHE A 19 4.115 -5.981 6.250 1.00 0.11 H new ATOM 0 HE2 PHE A 19 1.168 -7.656 8.887 1.00 0.20 H new ATOM 0 HZ PHE A 19 3.226 -6.318 8.541 1.00 0.16 H new ATOM 303 N ASP A 20 1.581 -11.017 1.872 1.00 0.11 N ATOM 304 CA ASP A 20 1.036 -11.675 0.643 1.00 0.10 C ATOM 305 C ASP A 20 0.908 -13.179 0.921 1.00 0.10 C ATOM 306 O ASP A 20 1.641 -13.985 0.386 1.00 0.12 O ATOM 307 CB ASP A 20 2.003 -11.453 -0.521 1.00 0.15 C ATOM 308 CG ASP A 20 1.512 -12.220 -1.751 1.00 0.21 C ATOM 309 OD1 ASP A 20 0.408 -11.946 -2.192 1.00 0.89 O ATOM 310 OD2 ASP A 20 2.247 -13.068 -2.228 1.00 1.32 O ATOM 0 H ASP A 20 2.591 -11.099 1.992 1.00 0.11 H new ATOM 0 HA ASP A 20 0.064 -11.254 0.386 1.00 0.10 H new ATOM 0 HB2 ASP A 20 2.076 -10.389 -0.748 1.00 0.15 H new ATOM 0 HB3 ASP A 20 3.003 -11.789 -0.246 1.00 0.15 H new ATOM 315 N LYS A 21 -0.001 -13.553 1.782 1.00 0.08 N ATOM 316 CA LYS A 21 -0.166 -14.996 2.137 1.00 0.10 C ATOM 317 C LYS A 21 -0.805 -15.772 0.988 1.00 0.07 C ATOM 318 O LYS A 21 -1.001 -16.970 1.067 1.00 0.07 O ATOM 319 CB LYS A 21 -1.063 -15.111 3.369 1.00 0.14 C ATOM 320 CG LYS A 21 -0.467 -14.311 4.539 1.00 0.21 C ATOM 321 CD LYS A 21 0.632 -15.122 5.234 1.00 0.33 C ATOM 322 CE LYS A 21 1.088 -14.390 6.496 1.00 0.34 C ATOM 323 NZ LYS A 21 2.342 -15.011 7.006 1.00 0.77 N ATOM 0 H LYS A 21 -0.641 -12.918 2.258 1.00 0.08 H new ATOM 0 HA LYS A 21 0.819 -15.416 2.339 1.00 0.10 H new ATOM 0 HB2 LYS A 21 -2.061 -14.740 3.137 1.00 0.14 H new ATOM 0 HB3 LYS A 21 -1.170 -16.158 3.653 1.00 0.14 H new ATOM 0 HG2 LYS A 21 -0.057 -13.370 4.173 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -1.251 -14.061 5.254 1.00 0.21 H new ATOM 0 HD2 LYS A 21 0.259 -16.113 5.491 1.00 0.33 H new ATOM 0 HD3 LYS A 21 1.476 -15.264 4.559 1.00 0.33 H new ATOM 0 HE2 LYS A 21 1.255 -13.335 6.277 1.00 0.34 H new ATOM 0 HE3 LYS A 21 0.310 -14.438 7.258 1.00 0.34 H new ATOM 0 HZ1 LYS A 21 2.652 -14.513 7.865 1.00 0.77 H new ATOM 0 HZ2 LYS A 21 2.168 -16.011 7.230 1.00 0.77 H new ATOM 0 HZ3 LYS A 21 3.083 -14.943 6.280 1.00 0.77 H new ATOM 337 N ASP A 22 -1.134 -15.103 -0.071 1.00 0.07 N ATOM 338 CA ASP A 22 -1.774 -15.787 -1.239 1.00 0.12 C ATOM 339 C ASP A 22 -0.727 -16.060 -2.322 1.00 0.16 C ATOM 340 O ASP A 22 -1.036 -16.569 -3.381 1.00 0.21 O ATOM 341 CB ASP A 22 -2.869 -14.886 -1.813 1.00 0.15 C ATOM 342 CG ASP A 22 -3.815 -14.457 -0.690 1.00 0.17 C ATOM 343 OD1 ASP A 22 -3.790 -15.091 0.352 1.00 1.30 O ATOM 344 OD2 ASP A 22 -4.547 -13.501 -0.892 1.00 1.43 O ATOM 0 H ASP A 22 -0.989 -14.100 -0.188 1.00 0.07 H new ATOM 0 HA ASP A 22 -2.205 -16.732 -0.909 1.00 0.12 H new ATOM 0 HB2 ASP A 22 -2.424 -14.009 -2.283 1.00 0.15 H new ATOM 0 HB3 ASP A 22 -3.423 -15.417 -2.587 1.00 0.15 H new ATOM 349 N GLY A 23 0.513 -15.731 -2.070 1.00 0.17 N ATOM 350 CA GLY A 23 1.570 -15.981 -3.092 1.00 0.23 C ATOM 351 C GLY A 23 1.102 -15.441 -4.440 1.00 0.26 C ATOM 352 O GLY A 23 1.610 -15.806 -5.482 1.00 0.31 O ATOM 0 H GLY A 23 0.838 -15.302 -1.204 1.00 0.17 H new ATOM 0 HA2 GLY A 23 2.501 -15.497 -2.796 1.00 0.23 H new ATOM 0 HA3 GLY A 23 1.776 -17.049 -3.166 1.00 0.23 H new ATOM 356 N ASP A 24 0.125 -14.573 -4.424 1.00 0.24 N ATOM 357 CA ASP A 24 -0.402 -13.995 -5.700 1.00 0.28 C ATOM 358 C ASP A 24 0.197 -12.605 -5.919 1.00 0.29 C ATOM 359 O ASP A 24 -0.062 -11.960 -6.917 1.00 0.35 O ATOM 360 CB ASP A 24 -1.925 -13.883 -5.610 1.00 0.28 C ATOM 361 CG ASP A 24 -2.490 -13.486 -6.974 1.00 0.32 C ATOM 362 OD1 ASP A 24 -2.341 -14.264 -7.904 1.00 1.26 O ATOM 363 OD2 ASP A 24 -3.063 -12.416 -7.067 1.00 0.98 O ATOM 0 H ASP A 24 -0.335 -14.236 -3.578 1.00 0.24 H new ATOM 0 HA ASP A 24 -0.129 -14.642 -6.534 1.00 0.28 H new ATOM 0 HB2 ASP A 24 -2.352 -14.834 -5.291 1.00 0.28 H new ATOM 0 HB3 ASP A 24 -2.202 -13.142 -4.860 1.00 0.28 H new ATOM 368 N GLY A 25 0.996 -12.133 -5.000 1.00 0.23 N ATOM 369 CA GLY A 25 1.604 -10.785 -5.172 1.00 0.23 C ATOM 370 C GLY A 25 0.561 -9.705 -4.850 1.00 0.21 C ATOM 371 O GLY A 25 0.615 -8.613 -5.380 1.00 0.21 O ATOM 0 H GLY A 25 1.252 -12.621 -4.142 1.00 0.23 H new ATOM 0 HA2 GLY A 25 2.468 -10.678 -4.516 1.00 0.23 H new ATOM 0 HA3 GLY A 25 1.963 -10.665 -6.194 1.00 0.23 H new ATOM 375 N THR A 26 -0.392 -9.994 -3.988 1.00 0.19 N ATOM 376 CA THR A 26 -1.435 -8.978 -3.640 1.00 0.17 C ATOM 377 C THR A 26 -1.726 -9.027 -2.139 1.00 0.15 C ATOM 378 O THR A 26 -1.347 -9.953 -1.451 1.00 0.14 O ATOM 379 CB THR A 26 -2.723 -9.268 -4.413 1.00 0.18 C ATOM 380 OG1 THR A 26 -3.293 -10.480 -3.941 1.00 0.16 O ATOM 381 CG2 THR A 26 -2.413 -9.392 -5.906 1.00 0.24 C ATOM 0 H THR A 26 -0.489 -10.891 -3.512 1.00 0.19 H new ATOM 0 HA THR A 26 -1.066 -7.988 -3.908 1.00 0.17 H new ATOM 0 HB THR A 26 -3.428 -8.451 -4.261 1.00 0.18 H new ATOM 0 HG1 THR A 26 -4.119 -10.667 -4.434 1.00 0.16 H new ATOM 0 HG21 THR A 26 -3.333 -9.599 -6.453 1.00 0.24 H new ATOM 0 HG22 THR A 26 -1.979 -8.459 -6.266 1.00 0.24 H new ATOM 0 HG23 THR A 26 -1.706 -10.207 -6.064 1.00 0.24 H new ATOM 389 N ILE A 27 -2.412 -8.035 -1.632 1.00 0.14 N ATOM 390 CA ILE A 27 -2.754 -8.004 -0.177 1.00 0.11 C ATOM 391 C ILE A 27 -4.180 -7.474 -0.028 1.00 0.11 C ATOM 392 O ILE A 27 -4.725 -6.886 -0.939 1.00 0.14 O ATOM 393 CB ILE A 27 -1.776 -7.084 0.569 1.00 0.11 C ATOM 394 CG1 ILE A 27 -1.854 -5.663 -0.009 1.00 0.12 C ATOM 395 CG2 ILE A 27 -0.349 -7.628 0.412 1.00 0.12 C ATOM 396 CD1 ILE A 27 -0.885 -4.745 0.741 1.00 0.14 C ATOM 0 H ILE A 27 -2.753 -7.237 -2.169 1.00 0.14 H new ATOM 0 HA ILE A 27 -2.681 -9.006 0.246 1.00 0.11 H new ATOM 0 HB ILE A 27 -2.041 -7.053 1.626 1.00 0.11 H new ATOM 0 HG12 ILE A 27 -1.607 -5.678 -1.071 1.00 0.12 H new ATOM 0 HG13 ILE A 27 -2.871 -5.281 0.076 1.00 0.12 H new ATOM 0 HG21 ILE A 27 0.348 -6.978 0.940 1.00 0.12 H new ATOM 0 HG22 ILE A 27 -0.295 -8.633 0.830 1.00 0.12 H new ATOM 0 HG23 ILE A 27 -0.086 -7.660 -0.645 1.00 0.12 H new ATOM 0 HD11 ILE A 27 -0.944 -3.738 0.327 1.00 0.14 H new ATOM 0 HD12 ILE A 27 -1.152 -4.720 1.797 1.00 0.14 H new ATOM 0 HD13 ILE A 27 0.132 -5.123 0.633 1.00 0.14 H new ATOM 408 N THR A 28 -4.794 -7.673 1.106 1.00 0.10 N ATOM 409 CA THR A 28 -6.186 -7.172 1.287 1.00 0.11 C ATOM 410 C THR A 28 -6.167 -5.738 1.811 1.00 0.10 C ATOM 411 O THR A 28 -5.155 -5.240 2.261 1.00 0.08 O ATOM 412 CB THR A 28 -6.922 -8.040 2.302 1.00 0.10 C ATOM 413 OG1 THR A 28 -6.640 -7.569 3.614 1.00 0.09 O ATOM 414 CG2 THR A 28 -6.465 -9.491 2.170 1.00 0.10 C ATOM 0 H THR A 28 -4.395 -8.158 1.910 1.00 0.10 H new ATOM 0 HA THR A 28 -6.691 -7.209 0.322 1.00 0.11 H new ATOM 0 HB THR A 28 -7.995 -7.985 2.116 1.00 0.10 H new ATOM 0 HG1 THR A 28 -6.831 -8.277 4.264 1.00 0.09 H new ATOM 0 HG21 THR A 28 -6.994 -10.107 2.897 1.00 0.10 H new ATOM 0 HG22 THR A 28 -6.682 -9.851 1.164 1.00 0.10 H new ATOM 0 HG23 THR A 28 -5.392 -9.553 2.354 1.00 0.10 H new ATOM 422 N THR A 29 -7.292 -5.084 1.773 1.00 0.10 N ATOM 423 CA THR A 29 -7.366 -3.695 2.286 1.00 0.10 C ATOM 424 C THR A 29 -7.187 -3.714 3.806 1.00 0.10 C ATOM 425 O THR A 29 -6.690 -2.776 4.396 1.00 0.09 O ATOM 426 CB THR A 29 -8.739 -3.113 1.941 1.00 0.10 C ATOM 427 OG1 THR A 29 -9.733 -4.104 2.161 1.00 0.13 O ATOM 428 CG2 THR A 29 -8.768 -2.680 0.475 1.00 0.09 C ATOM 0 H THR A 29 -8.168 -5.457 1.406 1.00 0.10 H new ATOM 0 HA THR A 29 -6.584 -3.085 1.834 1.00 0.10 H new ATOM 0 HB THR A 29 -8.934 -2.246 2.572 1.00 0.10 H new ATOM 0 HG1 THR A 29 -10.615 -3.737 1.943 1.00 0.13 H new ATOM 0 HG21 THR A 29 -9.748 -2.267 0.237 1.00 0.09 H new ATOM 0 HG22 THR A 29 -8.004 -1.922 0.304 1.00 0.09 H new ATOM 0 HG23 THR A 29 -8.573 -3.542 -0.163 1.00 0.09 H new ATOM 436 N LYS A 30 -7.597 -4.774 4.443 1.00 0.11 N ATOM 437 CA LYS A 30 -7.460 -4.852 5.922 1.00 0.11 C ATOM 438 C LYS A 30 -5.982 -4.794 6.310 1.00 0.11 C ATOM 439 O LYS A 30 -5.634 -4.365 7.391 1.00 0.11 O ATOM 440 CB LYS A 30 -8.069 -6.162 6.424 1.00 0.13 C ATOM 441 CG LYS A 30 -9.588 -6.119 6.253 1.00 0.10 C ATOM 442 CD LYS A 30 -10.188 -7.463 6.679 1.00 0.51 C ATOM 443 CE LYS A 30 -11.676 -7.493 6.325 1.00 0.77 C ATOM 444 NZ LYS A 30 -12.298 -8.722 6.900 1.00 1.40 N ATOM 0 H LYS A 30 -8.021 -5.590 4.002 1.00 0.11 H new ATOM 0 HA LYS A 30 -7.983 -4.010 6.375 1.00 0.11 H new ATOM 0 HB2 LYS A 30 -7.654 -7.004 5.870 1.00 0.13 H new ATOM 0 HB3 LYS A 30 -7.815 -6.315 7.473 1.00 0.13 H new ATOM 0 HG2 LYS A 30 -10.010 -5.313 6.854 1.00 0.10 H new ATOM 0 HG3 LYS A 30 -9.842 -5.908 5.214 1.00 0.10 H new ATOM 0 HD2 LYS A 30 -9.668 -8.280 6.179 1.00 0.51 H new ATOM 0 HD3 LYS A 30 -10.055 -7.609 7.751 1.00 0.51 H new ATOM 0 HE2 LYS A 30 -12.172 -6.604 6.716 1.00 0.77 H new ATOM 0 HE3 LYS A 30 -11.804 -7.480 5.243 1.00 0.77 H new ATOM 0 HZ1 LYS A 30 -13.310 -8.744 6.660 1.00 1.40 H new ATOM 0 HZ2 LYS A 30 -11.831 -9.564 6.507 1.00 1.40 H new ATOM 0 HZ3 LYS A 30 -12.187 -8.716 7.934 1.00 1.40 H new ATOM 458 N GLU A 31 -5.111 -5.230 5.438 1.00 0.11 N ATOM 459 CA GLU A 31 -3.643 -5.210 5.760 1.00 0.11 C ATOM 460 C GLU A 31 -2.974 -4.001 5.103 1.00 0.13 C ATOM 461 O GLU A 31 -1.765 -3.909 5.055 1.00 0.17 O ATOM 462 CB GLU A 31 -2.983 -6.486 5.232 1.00 0.11 C ATOM 463 CG GLU A 31 -3.702 -7.719 5.787 1.00 0.12 C ATOM 464 CD GLU A 31 -3.287 -8.958 4.991 1.00 0.10 C ATOM 465 OE1 GLU A 31 -2.985 -8.813 3.817 1.00 0.37 O ATOM 466 OE2 GLU A 31 -3.279 -10.033 5.568 1.00 0.36 O ATOM 0 H GLU A 31 -5.347 -5.599 4.517 1.00 0.11 H new ATOM 0 HA GLU A 31 -3.525 -5.148 6.842 1.00 0.11 H new ATOM 0 HB2 GLU A 31 -3.014 -6.497 4.143 1.00 0.11 H new ATOM 0 HB3 GLU A 31 -1.932 -6.507 5.521 1.00 0.11 H new ATOM 0 HG2 GLU A 31 -3.456 -7.852 6.840 1.00 0.12 H new ATOM 0 HG3 GLU A 31 -4.781 -7.581 5.727 1.00 0.12 H new ATOM 473 N LEU A 32 -3.735 -3.076 4.591 1.00 0.09 N ATOM 474 CA LEU A 32 -3.108 -1.890 3.939 1.00 0.11 C ATOM 475 C LEU A 32 -2.412 -1.030 4.996 1.00 0.15 C ATOM 476 O LEU A 32 -1.267 -0.654 4.844 1.00 0.18 O ATOM 477 CB LEU A 32 -4.184 -1.064 3.222 1.00 0.08 C ATOM 478 CG LEU A 32 -3.586 0.252 2.697 1.00 0.08 C ATOM 479 CD1 LEU A 32 -2.329 -0.030 1.865 1.00 0.09 C ATOM 480 CD2 LEU A 32 -4.624 0.963 1.824 1.00 0.08 C ATOM 0 H LEU A 32 -4.755 -3.087 4.594 1.00 0.09 H new ATOM 0 HA LEU A 32 -2.372 -2.227 3.209 1.00 0.11 H new ATOM 0 HB2 LEU A 32 -4.601 -1.638 2.394 1.00 0.08 H new ATOM 0 HB3 LEU A 32 -5.005 -0.851 3.907 1.00 0.08 H new ATOM 0 HG LEU A 32 -3.315 0.883 3.543 1.00 0.08 H new ATOM 0 HD11 LEU A 32 -1.916 0.910 1.500 1.00 0.09 H new ATOM 0 HD12 LEU A 32 -1.588 -0.535 2.485 1.00 0.09 H new ATOM 0 HD13 LEU A 32 -2.588 -0.666 1.018 1.00 0.09 H new ATOM 0 HD21 LEU A 32 -4.206 1.897 1.449 1.00 0.08 H new ATOM 0 HD22 LEU A 32 -4.893 0.323 0.984 1.00 0.08 H new ATOM 0 HD23 LEU A 32 -5.513 1.176 2.417 1.00 0.08 H new ATOM 492 N GLY A 33 -3.092 -0.709 6.063 1.00 0.15 N ATOM 493 CA GLY A 33 -2.462 0.131 7.118 1.00 0.19 C ATOM 494 C GLY A 33 -1.304 -0.639 7.756 1.00 0.21 C ATOM 495 O GLY A 33 -0.375 -0.059 8.280 1.00 0.24 O ATOM 0 H GLY A 33 -4.054 -0.992 6.248 1.00 0.15 H new ATOM 0 HA2 GLY A 33 -2.099 1.064 6.687 1.00 0.19 H new ATOM 0 HA3 GLY A 33 -3.199 0.395 7.876 1.00 0.19 H new ATOM 499 N THR A 34 -1.354 -1.942 7.717 1.00 0.21 N ATOM 500 CA THR A 34 -0.256 -2.741 8.327 1.00 0.23 C ATOM 501 C THR A 34 1.011 -2.593 7.486 1.00 0.23 C ATOM 502 O THR A 34 2.096 -2.427 8.009 1.00 0.24 O ATOM 503 CB THR A 34 -0.677 -4.218 8.394 1.00 0.25 C ATOM 504 OG1 THR A 34 -2.048 -4.296 8.753 1.00 0.28 O ATOM 505 CG2 THR A 34 0.165 -4.958 9.438 1.00 0.22 C ATOM 0 H THR A 34 -2.105 -2.486 7.291 1.00 0.21 H new ATOM 0 HA THR A 34 -0.055 -2.381 9.336 1.00 0.23 H new ATOM 0 HB THR A 34 -0.521 -4.680 7.419 1.00 0.25 H new ATOM 0 HG1 THR A 34 -2.322 -5.236 8.795 1.00 0.28 H new ATOM 0 HG21 THR A 34 -0.141 -6.003 9.478 1.00 0.22 H new ATOM 0 HG22 THR A 34 1.218 -4.898 9.164 1.00 0.22 H new ATOM 0 HG23 THR A 34 0.018 -4.499 10.416 1.00 0.22 H new ATOM 513 N VAL A 35 0.888 -2.633 6.189 1.00 0.23 N ATOM 514 CA VAL A 35 2.096 -2.473 5.331 1.00 0.23 C ATOM 515 C VAL A 35 2.622 -1.050 5.502 1.00 0.20 C ATOM 516 O VAL A 35 3.799 -0.829 5.719 1.00 0.22 O ATOM 517 CB VAL A 35 1.730 -2.713 3.865 1.00 0.23 C ATOM 518 CG1 VAL A 35 2.945 -2.425 2.983 1.00 0.23 C ATOM 519 CG2 VAL A 35 1.306 -4.170 3.681 1.00 0.28 C ATOM 0 H VAL A 35 0.010 -2.769 5.688 1.00 0.23 H new ATOM 0 HA VAL A 35 2.858 -3.195 5.623 1.00 0.23 H new ATOM 0 HB VAL A 35 0.909 -2.054 3.582 1.00 0.23 H new ATOM 0 HG11 VAL A 35 2.685 -2.596 1.938 1.00 0.23 H new ATOM 0 HG12 VAL A 35 3.253 -1.388 3.115 1.00 0.23 H new ATOM 0 HG13 VAL A 35 3.765 -3.086 3.266 1.00 0.23 H new ATOM 0 HG21 VAL A 35 1.045 -4.344 2.637 1.00 0.28 H new ATOM 0 HG22 VAL A 35 2.129 -4.827 3.963 1.00 0.28 H new ATOM 0 HG23 VAL A 35 0.442 -4.380 4.311 1.00 0.28 H new ATOM 529 N MET A 36 1.752 -0.081 5.423 1.00 0.16 N ATOM 530 CA MET A 36 2.191 1.329 5.595 1.00 0.14 C ATOM 531 C MET A 36 2.843 1.473 6.972 1.00 0.14 C ATOM 532 O MET A 36 3.845 2.141 7.131 1.00 0.18 O ATOM 533 CB MET A 36 0.978 2.266 5.510 1.00 0.11 C ATOM 534 CG MET A 36 0.492 2.399 4.058 1.00 0.09 C ATOM 535 SD MET A 36 -0.422 3.953 3.879 1.00 1.17 S ATOM 536 CE MET A 36 -0.073 4.221 2.125 1.00 0.23 C ATOM 0 H MET A 36 0.755 -0.207 5.246 1.00 0.16 H new ATOM 0 HA MET A 36 2.901 1.592 4.811 1.00 0.14 H new ATOM 0 HB2 MET A 36 0.171 1.882 6.134 1.00 0.11 H new ATOM 0 HB3 MET A 36 1.243 3.248 5.901 1.00 0.11 H new ATOM 0 HG2 MET A 36 1.341 2.381 3.374 1.00 0.09 H new ATOM 0 HG3 MET A 36 -0.146 1.555 3.796 1.00 0.09 H new ATOM 0 HE1 MET A 36 -0.550 5.144 1.796 1.00 0.23 H new ATOM 0 HE2 MET A 36 1.004 4.296 1.976 1.00 0.23 H new ATOM 0 HE3 MET A 36 -0.462 3.384 1.545 1.00 0.23 H new ATOM 546 N ARG A 37 2.283 0.843 7.972 1.00 0.12 N ATOM 547 CA ARG A 37 2.872 0.940 9.337 1.00 0.12 C ATOM 548 C ARG A 37 4.235 0.248 9.347 1.00 0.14 C ATOM 549 O ARG A 37 5.083 0.536 10.167 1.00 0.23 O ATOM 550 CB ARG A 37 1.927 0.269 10.349 1.00 0.13 C ATOM 551 CG ARG A 37 0.814 1.250 10.747 1.00 0.18 C ATOM 552 CD ARG A 37 -0.370 0.482 11.343 1.00 1.07 C ATOM 553 NE ARG A 37 0.092 -0.322 12.509 1.00 0.84 N ATOM 554 CZ ARG A 37 -0.777 -0.821 13.342 1.00 1.27 C ATOM 555 NH1 ARG A 37 -2.052 -0.615 13.153 1.00 1.98 N ATOM 556 NH2 ARG A 37 -0.374 -1.525 14.364 1.00 1.18 N ATOM 0 H ARG A 37 1.444 0.267 7.901 1.00 0.12 H new ATOM 0 HA ARG A 37 3.001 1.986 9.613 1.00 0.12 H new ATOM 0 HB2 ARG A 37 1.493 -0.631 9.914 1.00 0.13 H new ATOM 0 HB3 ARG A 37 2.485 -0.041 11.233 1.00 0.13 H new ATOM 0 HG2 ARG A 37 1.194 1.970 11.472 1.00 0.18 H new ATOM 0 HG3 ARG A 37 0.489 1.818 9.875 1.00 0.18 H new ATOM 0 HD2 ARG A 37 -1.149 1.178 11.654 1.00 1.07 H new ATOM 0 HD3 ARG A 37 -0.809 -0.171 10.589 1.00 1.07 H new ATOM 0 HE ARG A 37 1.089 -0.482 12.655 1.00 0.84 H new ATOM 0 HH11 ARG A 37 -2.367 -0.064 12.354 1.00 1.98 H new ATOM 0 HH12 ARG A 37 -2.734 -1.005 13.804 1.00 1.98 H new ATOM 0 HH21 ARG A 37 0.622 -1.685 14.512 1.00 1.18 H new ATOM 0 HH22 ARG A 37 -1.055 -1.915 15.015 1.00 1.18 H new ATOM 570 N SER A 38 4.461 -0.660 8.435 1.00 0.21 N ATOM 571 CA SER A 38 5.775 -1.354 8.394 1.00 0.23 C ATOM 572 C SER A 38 6.858 -0.349 7.996 1.00 0.15 C ATOM 573 O SER A 38 7.972 -0.400 8.476 1.00 0.14 O ATOM 574 CB SER A 38 5.724 -2.486 7.365 1.00 0.30 C ATOM 575 OG SER A 38 6.039 -1.966 6.081 1.00 0.29 O ATOM 0 H SER A 38 3.793 -0.948 7.720 1.00 0.21 H new ATOM 0 HA SER A 38 6.002 -1.771 9.375 1.00 0.23 H new ATOM 0 HB2 SER A 38 6.430 -3.271 7.635 1.00 0.30 H new ATOM 0 HB3 SER A 38 4.733 -2.939 7.354 1.00 0.30 H new ATOM 0 HG SER A 38 5.261 -1.492 5.720 1.00 0.29 H new ATOM 581 N LEU A 39 6.536 0.567 7.123 1.00 0.17 N ATOM 582 CA LEU A 39 7.543 1.581 6.692 1.00 0.19 C ATOM 583 C LEU A 39 7.595 2.721 7.714 1.00 0.14 C ATOM 584 O LEU A 39 8.309 3.690 7.541 1.00 0.13 O ATOM 585 CB LEU A 39 7.154 2.139 5.321 1.00 0.31 C ATOM 586 CG LEU A 39 6.942 0.987 4.333 1.00 0.44 C ATOM 587 CD1 LEU A 39 6.408 1.547 3.013 1.00 0.49 C ATOM 588 CD2 LEU A 39 8.272 0.258 4.080 1.00 0.49 C ATOM 0 H LEU A 39 5.618 0.658 6.689 1.00 0.17 H new ATOM 0 HA LEU A 39 8.524 1.110 6.626 1.00 0.19 H new ATOM 0 HB2 LEU A 39 6.243 2.731 5.404 1.00 0.31 H new ATOM 0 HB3 LEU A 39 7.935 2.806 4.955 1.00 0.31 H new ATOM 0 HG LEU A 39 6.225 0.281 4.752 1.00 0.44 H new ATOM 0 HD11 LEU A 39 6.256 0.731 2.307 1.00 0.49 H new ATOM 0 HD12 LEU A 39 5.460 2.055 3.190 1.00 0.49 H new ATOM 0 HD13 LEU A 39 7.127 2.254 2.600 1.00 0.49 H new ATOM 0 HD21 LEU A 39 8.111 -0.559 3.377 1.00 0.49 H new ATOM 0 HD22 LEU A 39 8.997 0.958 3.664 1.00 0.49 H new ATOM 0 HD23 LEU A 39 8.652 -0.142 5.020 1.00 0.49 H new ATOM 600 N GLY A 40 6.854 2.611 8.785 1.00 0.14 N ATOM 601 CA GLY A 40 6.871 3.682 9.826 1.00 0.13 C ATOM 602 C GLY A 40 5.860 4.783 9.482 1.00 0.16 C ATOM 603 O GLY A 40 5.966 5.898 9.955 1.00 0.19 O ATOM 0 H GLY A 40 6.236 1.824 8.985 1.00 0.14 H new ATOM 0 HA2 GLY A 40 6.634 3.254 10.800 1.00 0.13 H new ATOM 0 HA3 GLY A 40 7.871 4.109 9.900 1.00 0.13 H new ATOM 607 N GLN A 41 4.874 4.482 8.674 1.00 0.18 N ATOM 608 CA GLN A 41 3.850 5.516 8.309 1.00 0.24 C ATOM 609 C GLN A 41 2.597 5.295 9.162 1.00 0.21 C ATOM 610 O GLN A 41 2.229 4.174 9.447 1.00 0.16 O ATOM 611 CB GLN A 41 3.488 5.372 6.830 1.00 0.28 C ATOM 612 CG GLN A 41 4.703 5.720 5.966 1.00 0.34 C ATOM 613 CD GLN A 41 4.283 5.785 4.497 1.00 1.44 C ATOM 614 OE1 GLN A 41 4.491 6.784 3.837 1.00 1.45 O ATOM 615 NE2 GLN A 41 3.697 4.755 3.951 1.00 2.94 N ATOM 0 H GLN A 41 4.732 3.565 8.250 1.00 0.18 H new ATOM 0 HA GLN A 41 4.250 6.514 8.489 1.00 0.24 H new ATOM 0 HB2 GLN A 41 3.162 4.353 6.623 1.00 0.28 H new ATOM 0 HB3 GLN A 41 2.654 6.029 6.584 1.00 0.28 H new ATOM 0 HG2 GLN A 41 5.122 6.677 6.278 1.00 0.34 H new ATOM 0 HG3 GLN A 41 5.484 4.971 6.099 1.00 0.34 H new ATOM 0 HE21 GLN A 41 3.522 3.916 4.504 1.00 2.94 H new ATOM 0 HE22 GLN A 41 3.414 4.789 2.972 1.00 2.94 H new ATOM 624 N ASN A 42 1.942 6.352 9.586 1.00 0.26 N ATOM 625 CA ASN A 42 0.715 6.191 10.438 1.00 0.27 C ATOM 626 C ASN A 42 -0.400 7.131 9.954 1.00 0.32 C ATOM 627 O ASN A 42 -0.686 8.117 10.603 1.00 0.38 O ATOM 628 CB ASN A 42 1.068 6.542 11.885 1.00 0.30 C ATOM 629 CG ASN A 42 -0.078 6.121 12.807 1.00 0.29 C ATOM 630 OD1 ASN A 42 -0.864 6.943 13.234 1.00 1.04 O ATOM 631 ND2 ASN A 42 -0.206 4.864 13.136 1.00 0.93 N ATOM 0 H ASN A 42 2.202 7.317 9.380 1.00 0.26 H new ATOM 0 HA ASN A 42 0.366 5.161 10.369 1.00 0.27 H new ATOM 0 HB2 ASN A 42 1.989 6.038 12.178 1.00 0.30 H new ATOM 0 HB3 ASN A 42 1.248 7.613 11.977 1.00 0.30 H new ATOM 0 HD21 ASN A 42 -0.966 4.573 13.751 1.00 0.93 H new ATOM 0 HD22 ASN A 42 0.454 4.173 12.778 1.00 0.93 H new ATOM 638 N PRO A 43 -1.015 6.800 8.836 1.00 0.31 N ATOM 639 CA PRO A 43 -2.111 7.623 8.288 1.00 0.36 C ATOM 640 C PRO A 43 -3.344 7.475 9.191 1.00 0.38 C ATOM 641 O PRO A 43 -3.556 6.443 9.793 1.00 0.34 O ATOM 642 CB PRO A 43 -2.374 7.039 6.880 1.00 0.31 C ATOM 643 CG PRO A 43 -1.518 5.744 6.745 1.00 0.26 C ATOM 644 CD PRO A 43 -0.673 5.606 8.032 1.00 0.25 C ATOM 0 HA PRO A 43 -1.873 8.686 8.237 1.00 0.36 H new ATOM 0 HB2 PRO A 43 -3.433 6.815 6.749 1.00 0.31 H new ATOM 0 HB3 PRO A 43 -2.103 7.760 6.109 1.00 0.31 H new ATOM 0 HG2 PRO A 43 -2.160 4.873 6.613 1.00 0.26 H new ATOM 0 HG3 PRO A 43 -0.873 5.801 5.868 1.00 0.26 H new ATOM 0 HD2 PRO A 43 -0.913 4.687 8.566 1.00 0.25 H new ATOM 0 HD3 PRO A 43 0.393 5.574 7.805 1.00 0.25 H new ATOM 652 N THR A 44 -4.165 8.487 9.291 1.00 0.45 N ATOM 653 CA THR A 44 -5.371 8.358 10.156 1.00 0.49 C ATOM 654 C THR A 44 -6.355 7.390 9.506 1.00 0.44 C ATOM 655 O THR A 44 -6.154 6.932 8.398 1.00 0.35 O ATOM 656 CB THR A 44 -6.048 9.717 10.331 1.00 0.59 C ATOM 657 OG1 THR A 44 -6.268 10.301 9.057 1.00 0.63 O ATOM 658 CG2 THR A 44 -5.156 10.634 11.171 1.00 0.57 C ATOM 0 H THR A 44 -4.055 9.384 8.818 1.00 0.45 H new ATOM 0 HA THR A 44 -5.066 7.984 11.133 1.00 0.49 H new ATOM 0 HB THR A 44 -7.003 9.584 10.839 1.00 0.59 H new ATOM 0 HG1 THR A 44 -6.704 11.172 9.167 1.00 0.63 H new ATOM 0 HG21 THR A 44 -5.642 11.602 11.293 1.00 0.57 H new ATOM 0 HG22 THR A 44 -4.991 10.184 12.150 1.00 0.57 H new ATOM 0 HG23 THR A 44 -4.198 10.770 10.668 1.00 0.57 H new ATOM 666 N GLU A 45 -7.415 7.074 10.187 1.00 0.53 N ATOM 667 CA GLU A 45 -8.415 6.137 9.621 1.00 0.52 C ATOM 668 C GLU A 45 -9.060 6.744 8.376 1.00 0.50 C ATOM 669 O GLU A 45 -9.240 6.079 7.378 1.00 0.44 O ATOM 670 CB GLU A 45 -9.488 5.866 10.673 1.00 0.66 C ATOM 671 CG GLU A 45 -8.849 5.199 11.895 1.00 0.94 C ATOM 672 CD GLU A 45 -8.104 6.249 12.723 1.00 2.91 C ATOM 673 OE1 GLU A 45 -8.605 7.356 12.829 1.00 4.16 O ATOM 674 OE2 GLU A 45 -7.044 5.926 13.236 1.00 3.36 O ATOM 0 H GLU A 45 -7.633 7.428 11.119 1.00 0.53 H new ATOM 0 HA GLU A 45 -7.923 5.206 9.341 1.00 0.52 H new ATOM 0 HB2 GLU A 45 -9.970 6.799 10.965 1.00 0.66 H new ATOM 0 HB3 GLU A 45 -10.264 5.223 10.259 1.00 0.66 H new ATOM 0 HG2 GLU A 45 -9.616 4.719 12.503 1.00 0.94 H new ATOM 0 HG3 GLU A 45 -8.160 4.417 11.576 1.00 0.94 H new ATOM 681 N ALA A 46 -9.417 7.997 8.420 1.00 0.56 N ATOM 682 CA ALA A 46 -10.054 8.617 7.225 1.00 0.57 C ATOM 683 C ALA A 46 -9.058 8.613 6.064 1.00 0.49 C ATOM 684 O ALA A 46 -9.414 8.347 4.934 1.00 0.44 O ATOM 685 CB ALA A 46 -10.486 10.053 7.549 1.00 0.69 C ATOM 0 H ALA A 46 -9.297 8.614 9.223 1.00 0.56 H new ATOM 0 HA ALA A 46 -10.937 8.044 6.943 1.00 0.57 H new ATOM 0 HB1 ALA A 46 -10.951 10.500 6.670 1.00 0.69 H new ATOM 0 HB2 ALA A 46 -11.201 10.041 8.372 1.00 0.69 H new ATOM 0 HB3 ALA A 46 -9.613 10.640 7.836 1.00 0.69 H new ATOM 691 N GLU A 47 -7.806 8.886 6.327 1.00 0.48 N ATOM 692 CA GLU A 47 -6.811 8.868 5.222 1.00 0.43 C ATOM 693 C GLU A 47 -6.790 7.463 4.625 1.00 0.31 C ATOM 694 O GLU A 47 -6.667 7.282 3.429 1.00 0.31 O ATOM 695 CB GLU A 47 -5.421 9.206 5.765 1.00 0.44 C ATOM 696 CG GLU A 47 -5.331 10.703 6.065 1.00 0.50 C ATOM 697 CD GLU A 47 -3.913 11.048 6.525 1.00 0.63 C ATOM 698 OE1 GLU A 47 -2.992 10.838 5.753 1.00 1.14 O ATOM 699 OE2 GLU A 47 -3.773 11.518 7.644 1.00 0.78 O ATOM 0 H GLU A 47 -7.436 9.118 7.249 1.00 0.48 H new ATOM 0 HA GLU A 47 -7.082 9.604 4.465 1.00 0.43 H new ATOM 0 HB2 GLU A 47 -5.225 8.632 6.671 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -4.659 8.925 5.038 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -5.586 11.279 5.175 1.00 0.50 H new ATOM 0 HG3 GLU A 47 -6.051 10.974 6.837 1.00 0.50 H new ATOM 706 N LEU A 48 -6.913 6.465 5.457 1.00 0.24 N ATOM 707 CA LEU A 48 -6.899 5.064 4.953 1.00 0.12 C ATOM 708 C LEU A 48 -8.215 4.761 4.221 1.00 0.10 C ATOM 709 O LEU A 48 -8.220 4.173 3.162 1.00 0.12 O ATOM 710 CB LEU A 48 -6.730 4.099 6.142 1.00 0.17 C ATOM 711 CG LEU A 48 -5.236 3.951 6.510 1.00 0.10 C ATOM 712 CD1 LEU A 48 -5.097 3.539 7.981 1.00 0.45 C ATOM 713 CD2 LEU A 48 -4.583 2.875 5.630 1.00 0.39 C ATOM 0 H LEU A 48 -7.023 6.561 6.467 1.00 0.24 H new ATOM 0 HA LEU A 48 -6.069 4.935 4.258 1.00 0.12 H new ATOM 0 HB2 LEU A 48 -7.287 4.471 7.002 1.00 0.17 H new ATOM 0 HB3 LEU A 48 -7.147 3.124 5.889 1.00 0.17 H new ATOM 0 HG LEU A 48 -4.742 4.909 6.348 1.00 0.10 H new ATOM 0 HD11 LEU A 48 -4.041 3.437 8.232 1.00 0.45 H new ATOM 0 HD12 LEU A 48 -5.549 4.301 8.616 1.00 0.45 H new ATOM 0 HD13 LEU A 48 -5.602 2.586 8.141 1.00 0.45 H new ATOM 0 HD21 LEU A 48 -3.530 2.777 5.896 1.00 0.39 H new ATOM 0 HD22 LEU A 48 -5.087 1.921 5.787 1.00 0.39 H new ATOM 0 HD23 LEU A 48 -4.667 3.162 4.582 1.00 0.39 H new ATOM 725 N GLN A 49 -9.331 5.149 4.781 1.00 0.22 N ATOM 726 CA GLN A 49 -10.635 4.862 4.118 1.00 0.21 C ATOM 727 C GLN A 49 -10.770 5.692 2.842 1.00 0.22 C ATOM 728 O GLN A 49 -11.514 5.347 1.944 1.00 0.22 O ATOM 729 CB GLN A 49 -11.774 5.221 5.076 1.00 0.29 C ATOM 730 CG GLN A 49 -11.885 4.159 6.176 1.00 0.31 C ATOM 731 CD GLN A 49 -12.596 2.921 5.624 1.00 0.79 C ATOM 732 OE1 GLN A 49 -12.903 2.853 4.450 1.00 1.61 O ATOM 733 NE2 GLN A 49 -12.876 1.932 6.429 1.00 1.15 N ATOM 0 H GLN A 49 -9.395 5.651 5.667 1.00 0.22 H new ATOM 0 HA GLN A 49 -10.681 3.804 3.861 1.00 0.21 H new ATOM 0 HB2 GLN A 49 -11.592 6.200 5.520 1.00 0.29 H new ATOM 0 HB3 GLN A 49 -12.714 5.289 4.528 1.00 0.29 H new ATOM 0 HG2 GLN A 49 -10.892 3.890 6.537 1.00 0.31 H new ATOM 0 HG3 GLN A 49 -12.437 4.559 7.027 1.00 0.31 H new ATOM 0 HE21 GLN A 49 -12.619 1.988 7.414 1.00 1.15 H new ATOM 0 HE22 GLN A 49 -13.352 1.103 6.072 1.00 1.15 H new ATOM 742 N ASP A 50 -10.065 6.781 2.750 1.00 0.26 N ATOM 743 CA ASP A 50 -10.171 7.622 1.525 1.00 0.32 C ATOM 744 C ASP A 50 -9.515 6.884 0.361 1.00 0.29 C ATOM 745 O ASP A 50 -10.032 6.849 -0.737 1.00 0.29 O ATOM 746 CB ASP A 50 -9.468 8.967 1.759 1.00 0.45 C ATOM 747 CG ASP A 50 -9.978 9.998 0.749 1.00 1.38 C ATOM 748 OD1 ASP A 50 -9.653 9.869 -0.418 1.00 2.59 O ATOM 749 OD2 ASP A 50 -10.690 10.901 1.162 1.00 1.36 O ATOM 0 H ASP A 50 -9.423 7.126 3.464 1.00 0.26 H new ATOM 0 HA ASP A 50 -11.219 7.810 1.293 1.00 0.32 H new ATOM 0 HB2 ASP A 50 -9.656 9.315 2.775 1.00 0.45 H new ATOM 0 HB3 ASP A 50 -8.389 8.847 1.658 1.00 0.45 H new ATOM 890 N GLY A 61 -12.080 -5.219 -2.756 1.00 0.20 N ATOM 891 CA GLY A 61 -11.313 -4.850 -1.516 1.00 0.21 C ATOM 892 C GLY A 61 -9.915 -5.503 -1.520 1.00 0.11 C ATOM 893 O GLY A 61 -9.531 -6.132 -0.553 1.00 0.13 O ATOM 0 HA2 GLY A 61 -11.213 -3.766 -1.454 1.00 0.21 H new ATOM 0 HA3 GLY A 61 -11.866 -5.170 -0.633 1.00 0.21 H new ATOM 897 N THR A 62 -9.142 -5.363 -2.579 1.00 0.12 N ATOM 898 CA THR A 62 -7.778 -5.975 -2.611 1.00 0.11 C ATOM 899 C THR A 62 -6.813 -4.990 -3.281 1.00 0.13 C ATOM 900 O THR A 62 -7.233 -4.064 -3.947 1.00 0.15 O ATOM 901 CB THR A 62 -7.827 -7.274 -3.414 1.00 0.17 C ATOM 902 OG1 THR A 62 -8.357 -7.011 -4.705 1.00 0.19 O ATOM 903 CG2 THR A 62 -8.712 -8.291 -2.694 1.00 0.24 C ATOM 0 H THR A 62 -9.403 -4.849 -3.421 1.00 0.12 H new ATOM 0 HA THR A 62 -7.439 -6.192 -1.598 1.00 0.11 H new ATOM 0 HB THR A 62 -6.820 -7.679 -3.510 1.00 0.17 H new ATOM 0 HG1 THR A 62 -8.387 -7.843 -5.222 1.00 0.19 H new ATOM 0 HG21 THR A 62 -8.745 -9.216 -3.269 1.00 0.24 H new ATOM 0 HG22 THR A 62 -8.303 -8.493 -1.704 1.00 0.24 H new ATOM 0 HG23 THR A 62 -9.721 -7.890 -2.594 1.00 0.24 H new ATOM 911 N ILE A 63 -5.527 -5.169 -3.108 1.00 0.13 N ATOM 912 CA ILE A 63 -4.538 -4.231 -3.733 1.00 0.15 C ATOM 913 C ILE A 63 -3.342 -5.028 -4.258 1.00 0.15 C ATOM 914 O ILE A 63 -2.807 -5.880 -3.578 1.00 0.14 O ATOM 915 CB ILE A 63 -4.066 -3.232 -2.666 1.00 0.15 C ATOM 916 CG1 ILE A 63 -5.256 -2.889 -1.760 1.00 0.16 C ATOM 917 CG2 ILE A 63 -3.516 -1.953 -3.325 1.00 0.13 C ATOM 918 CD1 ILE A 63 -4.903 -1.727 -0.831 1.00 0.11 C ATOM 0 H ILE A 63 -5.117 -5.925 -2.560 1.00 0.13 H new ATOM 0 HA ILE A 63 -5.001 -3.696 -4.562 1.00 0.15 H new ATOM 0 HB ILE A 63 -3.264 -3.678 -2.078 1.00 0.15 H new ATOM 0 HG12 ILE A 63 -6.121 -2.626 -2.369 1.00 0.16 H new ATOM 0 HG13 ILE A 63 -5.535 -3.762 -1.170 1.00 0.16 H new ATOM 0 HG21 ILE A 63 -3.187 -1.258 -2.552 1.00 0.13 H new ATOM 0 HG22 ILE A 63 -2.673 -2.208 -3.967 1.00 0.13 H new ATOM 0 HG23 ILE A 63 -4.299 -1.486 -3.923 1.00 0.13 H new ATOM 0 HD11 ILE A 63 -5.758 -1.497 -0.195 1.00 0.11 H new ATOM 0 HD12 ILE A 63 -4.052 -2.004 -0.209 1.00 0.11 H new ATOM 0 HD13 ILE A 63 -4.647 -0.850 -1.426 1.00 0.11 H new ATOM 930 N ASP A 64 -2.916 -4.745 -5.457 1.00 0.17 N ATOM 931 CA ASP A 64 -1.741 -5.464 -6.044 1.00 0.17 C ATOM 932 C ASP A 64 -0.499 -4.557 -5.919 1.00 0.18 C ATOM 933 O ASP A 64 -0.611 -3.389 -5.605 1.00 0.19 O ATOM 934 CB ASP A 64 -2.044 -5.808 -7.511 1.00 0.18 C ATOM 935 CG ASP A 64 -2.218 -4.527 -8.332 1.00 0.19 C ATOM 936 OD1 ASP A 64 -1.909 -3.467 -7.817 1.00 0.20 O ATOM 937 OD2 ASP A 64 -2.656 -4.631 -9.465 1.00 0.20 O ATOM 0 H ASP A 64 -3.333 -4.040 -6.065 1.00 0.17 H new ATOM 0 HA ASP A 64 -1.546 -6.396 -5.513 1.00 0.17 H new ATOM 0 HB2 ASP A 64 -1.233 -6.407 -7.926 1.00 0.18 H new ATOM 0 HB3 ASP A 64 -2.949 -6.412 -7.571 1.00 0.18 H new ATOM 942 N PHE A 65 0.685 -5.090 -6.114 1.00 0.19 N ATOM 943 CA PHE A 65 1.923 -4.252 -5.951 1.00 0.20 C ATOM 944 C PHE A 65 1.985 -3.049 -6.924 1.00 0.23 C ATOM 945 O PHE A 65 2.333 -1.973 -6.484 1.00 0.25 O ATOM 946 CB PHE A 65 3.187 -5.128 -6.070 1.00 0.21 C ATOM 947 CG PHE A 65 4.408 -4.338 -5.642 1.00 0.21 C ATOM 948 CD1 PHE A 65 4.536 -3.895 -4.314 1.00 1.73 C ATOM 949 CD2 PHE A 65 5.420 -4.051 -6.571 1.00 1.98 C ATOM 950 CE1 PHE A 65 5.669 -3.167 -3.927 1.00 1.70 C ATOM 951 CE2 PHE A 65 6.549 -3.322 -6.179 1.00 1.99 C ATOM 952 CZ PHE A 65 6.673 -2.882 -4.858 1.00 0.22 C ATOM 0 H PHE A 65 0.850 -6.062 -6.377 1.00 0.19 H new ATOM 0 HA PHE A 65 1.878 -3.824 -4.950 1.00 0.20 H new ATOM 0 HB2 PHE A 65 3.083 -6.017 -5.448 1.00 0.21 H new ATOM 0 HB3 PHE A 65 3.307 -5.470 -7.098 1.00 0.21 H new ATOM 0 HD1 PHE A 65 3.762 -4.115 -3.593 1.00 1.73 H new ATOM 0 HD2 PHE A 65 5.328 -4.393 -7.591 1.00 1.98 H new ATOM 0 HE1 PHE A 65 5.767 -2.825 -2.907 1.00 1.70 H new ATOM 0 HE2 PHE A 65 7.324 -3.100 -6.897 1.00 1.99 H new ATOM 0 HZ PHE A 65 7.545 -2.321 -4.556 1.00 0.22 H new ATOM 962 N PRO A 66 1.661 -3.202 -8.200 1.00 0.23 N ATOM 963 CA PRO A 66 1.721 -2.043 -9.112 1.00 0.25 C ATOM 964 C PRO A 66 0.885 -0.892 -8.535 1.00 0.25 C ATOM 965 O PRO A 66 1.357 0.219 -8.390 1.00 0.27 O ATOM 966 CB PRO A 66 1.152 -2.551 -10.457 1.00 0.26 C ATOM 967 CG PRO A 66 0.885 -4.076 -10.301 1.00 0.24 C ATOM 968 CD PRO A 66 1.220 -4.462 -8.840 1.00 0.21 C ATOM 0 HA PRO A 66 2.732 -1.657 -9.243 1.00 0.25 H new ATOM 0 HB2 PRO A 66 0.232 -2.024 -10.708 1.00 0.26 H new ATOM 0 HB3 PRO A 66 1.857 -2.365 -11.267 1.00 0.26 H new ATOM 0 HG2 PRO A 66 -0.155 -4.308 -10.530 1.00 0.24 H new ATOM 0 HG3 PRO A 66 1.499 -4.646 -10.998 1.00 0.24 H new ATOM 0 HD2 PRO A 66 0.350 -4.878 -8.333 1.00 0.21 H new ATOM 0 HD3 PRO A 66 2.003 -5.219 -8.802 1.00 0.21 H new ATOM 976 N GLU A 67 -0.351 -1.147 -8.195 1.00 0.23 N ATOM 977 CA GLU A 67 -1.199 -0.069 -7.622 1.00 0.24 C ATOM 978 C GLU A 67 -0.599 0.389 -6.292 1.00 0.24 C ATOM 979 O GLU A 67 -0.694 1.544 -5.926 1.00 0.25 O ATOM 980 CB GLU A 67 -2.621 -0.588 -7.397 1.00 0.22 C ATOM 981 CG GLU A 67 -3.260 -0.923 -8.746 1.00 0.23 C ATOM 982 CD GLU A 67 -4.520 -1.762 -8.523 1.00 0.24 C ATOM 983 OE1 GLU A 67 -4.423 -2.769 -7.842 1.00 0.39 O ATOM 984 OE2 GLU A 67 -5.560 -1.381 -9.034 1.00 0.12 O ATOM 0 H GLU A 67 -0.806 -2.055 -8.290 1.00 0.23 H new ATOM 0 HA GLU A 67 -1.236 0.771 -8.315 1.00 0.24 H new ATOM 0 HB2 GLU A 67 -2.600 -1.474 -6.762 1.00 0.22 H new ATOM 0 HB3 GLU A 67 -3.216 0.163 -6.877 1.00 0.22 H new ATOM 0 HG2 GLU A 67 -3.511 -0.006 -9.279 1.00 0.23 H new ATOM 0 HG3 GLU A 67 -2.552 -1.470 -9.369 1.00 0.23 H new ATOM 991 N PHE A 68 0.031 -0.497 -5.565 1.00 0.21 N ATOM 992 CA PHE A 68 0.636 -0.078 -4.274 1.00 0.21 C ATOM 993 C PHE A 68 1.709 0.971 -4.565 1.00 0.21 C ATOM 994 O PHE A 68 1.864 1.930 -3.834 1.00 0.20 O ATOM 995 CB PHE A 68 1.255 -1.283 -3.550 1.00 0.20 C ATOM 996 CG PHE A 68 1.730 -0.849 -2.184 1.00 0.23 C ATOM 997 CD1 PHE A 68 0.830 -0.788 -1.110 1.00 0.23 C ATOM 998 CD2 PHE A 68 3.072 -0.505 -1.989 1.00 0.29 C ATOM 999 CE1 PHE A 68 1.274 -0.381 0.155 1.00 0.28 C ATOM 1000 CE2 PHE A 68 3.516 -0.098 -0.725 1.00 0.33 C ATOM 1001 CZ PHE A 68 2.617 -0.036 0.346 1.00 0.33 C ATOM 0 H PHE A 68 0.150 -1.480 -5.809 1.00 0.21 H new ATOM 0 HA PHE A 68 -0.134 0.341 -3.626 1.00 0.21 H new ATOM 0 HB2 PHE A 68 0.521 -2.083 -3.456 1.00 0.20 H new ATOM 0 HB3 PHE A 68 2.088 -1.682 -4.129 1.00 0.20 H new ATOM 0 HD1 PHE A 68 -0.206 -1.055 -1.258 1.00 0.23 H new ATOM 0 HD2 PHE A 68 3.767 -0.553 -2.815 1.00 0.29 H new ATOM 0 HE1 PHE A 68 0.581 -0.334 0.982 1.00 0.28 H new ATOM 0 HE2 PHE A 68 4.552 0.168 -0.576 1.00 0.33 H new ATOM 0 HZ PHE A 68 2.960 0.278 1.321 1.00 0.33 H new ATOM 1011 N LEU A 69 2.439 0.817 -5.640 1.00 0.22 N ATOM 1012 CA LEU A 69 3.478 1.831 -5.976 1.00 0.21 C ATOM 1013 C LEU A 69 2.789 3.149 -6.335 1.00 0.20 C ATOM 1014 O LEU A 69 3.357 4.215 -6.203 1.00 0.20 O ATOM 1015 CB LEU A 69 4.312 1.362 -7.178 1.00 0.21 C ATOM 1016 CG LEU A 69 5.111 0.097 -6.832 1.00 0.22 C ATOM 1017 CD1 LEU A 69 5.934 -0.316 -8.058 1.00 0.22 C ATOM 1018 CD2 LEU A 69 6.061 0.370 -5.650 1.00 0.23 C ATOM 0 H LEU A 69 2.360 0.038 -6.294 1.00 0.22 H new ATOM 0 HA LEU A 69 4.135 1.966 -5.117 1.00 0.21 H new ATOM 0 HB2 LEU A 69 3.656 1.162 -8.025 1.00 0.21 H new ATOM 0 HB3 LEU A 69 4.994 2.155 -7.484 1.00 0.21 H new ATOM 0 HG LEU A 69 4.422 -0.699 -6.551 1.00 0.22 H new ATOM 0 HD11 LEU A 69 6.507 -1.214 -7.826 1.00 0.22 H new ATOM 0 HD12 LEU A 69 5.265 -0.519 -8.894 1.00 0.22 H new ATOM 0 HD13 LEU A 69 6.616 0.490 -8.327 1.00 0.22 H new ATOM 0 HD21 LEU A 69 6.621 -0.536 -5.416 1.00 0.23 H new ATOM 0 HD22 LEU A 69 6.755 1.167 -5.918 1.00 0.23 H new ATOM 0 HD23 LEU A 69 5.480 0.673 -4.779 1.00 0.23 H new ATOM 1030 N THR A 70 1.565 3.087 -6.791 1.00 0.21 N ATOM 1031 CA THR A 70 0.843 4.337 -7.156 1.00 0.20 C ATOM 1032 C THR A 70 0.420 5.065 -5.878 1.00 0.20 C ATOM 1033 O THR A 70 0.278 6.272 -5.861 1.00 0.18 O ATOM 1034 CB THR A 70 -0.392 3.987 -7.996 1.00 0.22 C ATOM 1035 OG1 THR A 70 0.023 3.391 -9.217 1.00 0.25 O ATOM 1036 CG2 THR A 70 -1.188 5.258 -8.295 1.00 0.24 C ATOM 0 H THR A 70 1.037 2.225 -6.926 1.00 0.21 H new ATOM 0 HA THR A 70 1.497 4.986 -7.739 1.00 0.20 H new ATOM 0 HB THR A 70 -1.021 3.289 -7.443 1.00 0.22 H new ATOM 0 HG1 THR A 70 -0.764 3.165 -9.755 1.00 0.25 H new ATOM 0 HG21 THR A 70 -2.065 5.006 -8.892 1.00 0.24 H new ATOM 0 HG22 THR A 70 -1.506 5.717 -7.359 1.00 0.24 H new ATOM 0 HG23 THR A 70 -0.562 5.958 -8.848 1.00 0.24 H new ATOM 1044 N MET A 71 0.234 4.345 -4.805 1.00 0.25 N ATOM 1045 CA MET A 71 -0.163 5.012 -3.525 1.00 0.26 C ATOM 1046 C MET A 71 1.054 5.742 -2.952 1.00 0.21 C ATOM 1047 O MET A 71 0.969 6.881 -2.535 1.00 0.21 O ATOM 1048 CB MET A 71 -0.656 3.976 -2.496 1.00 0.40 C ATOM 1049 CG MET A 71 -2.037 3.392 -2.902 1.00 0.69 C ATOM 1050 SD MET A 71 -3.148 3.389 -1.464 1.00 0.69 S ATOM 1051 CE MET A 71 -3.948 1.794 -1.771 1.00 0.54 C ATOM 0 H MET A 71 0.338 3.332 -4.756 1.00 0.25 H new ATOM 0 HA MET A 71 -0.973 5.713 -3.729 1.00 0.26 H new ATOM 0 HB2 MET A 71 0.072 3.169 -2.411 1.00 0.40 H new ATOM 0 HB3 MET A 71 -0.730 4.443 -1.514 1.00 0.40 H new ATOM 0 HG2 MET A 71 -2.471 3.985 -3.707 1.00 0.69 H new ATOM 0 HG3 MET A 71 -1.916 2.378 -3.282 1.00 0.69 H new ATOM 0 HE1 MET A 71 -4.680 1.597 -0.988 1.00 0.54 H new ATOM 0 HE2 MET A 71 -4.450 1.819 -2.738 1.00 0.54 H new ATOM 0 HE3 MET A 71 -3.197 1.004 -1.772 1.00 0.54 H new ATOM 1061 N MET A 72 2.186 5.092 -2.929 1.00 0.19 N ATOM 1062 CA MET A 72 3.412 5.740 -2.386 1.00 0.19 C ATOM 1063 C MET A 72 3.795 6.931 -3.266 1.00 0.15 C ATOM 1064 O MET A 72 4.258 7.943 -2.783 1.00 0.16 O ATOM 1065 CB MET A 72 4.557 4.724 -2.370 1.00 0.26 C ATOM 1066 CG MET A 72 4.201 3.571 -1.429 1.00 0.32 C ATOM 1067 SD MET A 72 4.162 4.176 0.274 1.00 0.46 S ATOM 1068 CE MET A 72 5.916 3.928 0.640 1.00 0.61 C ATOM 0 H MET A 72 2.314 4.137 -3.264 1.00 0.19 H new ATOM 0 HA MET A 72 3.221 6.089 -1.371 1.00 0.19 H new ATOM 0 HB2 MET A 72 4.735 4.345 -3.376 1.00 0.26 H new ATOM 0 HB3 MET A 72 5.479 5.204 -2.042 1.00 0.26 H new ATOM 0 HG2 MET A 72 3.232 3.152 -1.700 1.00 0.32 H new ATOM 0 HG3 MET A 72 4.933 2.769 -1.525 1.00 0.32 H new ATOM 0 HE1 MET A 72 6.086 4.054 1.709 1.00 0.61 H new ATOM 0 HE2 MET A 72 6.211 2.922 0.342 1.00 0.61 H new ATOM 0 HE3 MET A 72 6.509 4.658 0.090 1.00 0.61 H new ATOM 1078 N ALA A 73 3.606 6.822 -4.554 1.00 0.13 N ATOM 1079 CA ALA A 73 3.965 7.953 -5.449 1.00 0.16 C ATOM 1080 C ALA A 73 3.039 9.139 -5.170 1.00 0.15 C ATOM 1081 O ALA A 73 3.431 10.283 -5.292 1.00 0.22 O ATOM 1082 CB ALA A 73 3.828 7.516 -6.909 1.00 0.18 C ATOM 0 H ALA A 73 3.220 6.001 -5.021 1.00 0.13 H new ATOM 0 HA ALA A 73 4.996 8.252 -5.262 1.00 0.16 H new ATOM 0 HB1 ALA A 73 4.092 8.347 -7.564 1.00 0.18 H new ATOM 0 HB2 ALA A 73 4.496 6.676 -7.102 1.00 0.18 H new ATOM 0 HB3 ALA A 73 2.799 7.213 -7.103 1.00 0.18 H new ATOM 1222 N GLU A 82 8.364 21.177 -7.720 1.00 0.33 N ATOM 1223 CA GLU A 82 7.827 22.520 -7.398 1.00 0.14 C ATOM 1224 C GLU A 82 8.648 23.118 -6.249 1.00 0.12 C ATOM 1225 O GLU A 82 8.791 24.320 -6.127 1.00 0.23 O ATOM 1226 CB GLU A 82 6.353 22.346 -6.989 1.00 0.17 C ATOM 1227 CG GLU A 82 5.429 22.625 -8.182 1.00 1.08 C ATOM 1228 CD GLU A 82 3.976 22.395 -7.763 1.00 1.15 C ATOM 1229 OE1 GLU A 82 3.713 21.377 -7.144 1.00 0.90 O ATOM 1230 OE2 GLU A 82 3.152 23.241 -8.069 1.00 2.12 O ATOM 0 HA GLU A 82 7.891 23.194 -8.252 1.00 0.14 H new ATOM 0 HB2 GLU A 82 6.188 21.333 -6.623 1.00 0.17 H new ATOM 0 HB3 GLU A 82 6.114 23.024 -6.170 1.00 0.17 H new ATOM 0 HG2 GLU A 82 5.562 23.650 -8.527 1.00 1.08 H new ATOM 0 HG3 GLU A 82 5.686 21.972 -9.016 1.00 1.08 H new ATOM 1237 N GLU A 83 9.188 22.282 -5.411 1.00 0.08 N ATOM 1238 CA GLU A 83 10.006 22.780 -4.265 1.00 0.18 C ATOM 1239 C GLU A 83 11.329 23.356 -4.782 1.00 0.24 C ATOM 1240 O GLU A 83 11.993 24.119 -4.107 1.00 0.32 O ATOM 1241 CB GLU A 83 10.263 21.620 -3.274 1.00 0.26 C ATOM 1242 CG GLU A 83 11.515 20.817 -3.669 1.00 2.04 C ATOM 1243 CD GLU A 83 11.514 19.471 -2.941 1.00 2.19 C ATOM 1244 OE1 GLU A 83 11.307 19.469 -1.740 1.00 1.76 O ATOM 1245 OE2 GLU A 83 11.721 18.463 -3.600 1.00 3.12 O ATOM 0 H GLU A 83 9.099 21.267 -5.468 1.00 0.08 H new ATOM 0 HA GLU A 83 9.467 23.572 -3.745 1.00 0.18 H new ATOM 0 HB2 GLU A 83 10.386 22.019 -2.267 1.00 0.26 H new ATOM 0 HB3 GLU A 83 9.396 20.959 -3.251 1.00 0.26 H new ATOM 0 HG2 GLU A 83 11.532 20.658 -4.747 1.00 2.04 H new ATOM 0 HG3 GLU A 83 12.414 21.378 -3.415 1.00 2.04 H new ATOM 1252 N GLU A 84 11.720 22.989 -5.969 1.00 0.21 N ATOM 1253 CA GLU A 84 13.004 23.496 -6.534 1.00 0.28 C ATOM 1254 C GLU A 84 12.799 24.885 -7.138 1.00 0.22 C ATOM 1255 O GLU A 84 13.626 25.762 -6.988 1.00 0.25 O ATOM 1256 CB GLU A 84 13.510 22.534 -7.617 1.00 0.34 C ATOM 1257 CG GLU A 84 14.097 21.281 -6.961 1.00 0.52 C ATOM 1258 CD GLU A 84 14.731 20.398 -8.032 1.00 0.50 C ATOM 1259 OE1 GLU A 84 14.192 20.348 -9.126 1.00 1.57 O ATOM 1260 OE2 GLU A 84 15.749 19.787 -7.746 1.00 0.93 O ATOM 0 H GLU A 84 11.203 22.355 -6.578 1.00 0.21 H new ATOM 0 HA GLU A 84 13.741 23.560 -5.734 1.00 0.28 H new ATOM 0 HB2 GLU A 84 12.692 22.258 -8.283 1.00 0.34 H new ATOM 0 HB3 GLU A 84 14.267 23.025 -8.228 1.00 0.34 H new ATOM 0 HG2 GLU A 84 14.843 21.562 -6.217 1.00 0.52 H new ATOM 0 HG3 GLU A 84 13.315 20.731 -6.437 1.00 0.52 H new ATOM 1267 N ILE A 85 11.712 25.093 -7.816 1.00 0.14 N ATOM 1268 CA ILE A 85 11.471 26.433 -8.421 1.00 0.09 C ATOM 1269 C ILE A 85 11.192 27.448 -7.306 1.00 0.10 C ATOM 1270 O ILE A 85 11.650 28.573 -7.355 1.00 0.11 O ATOM 1271 CB ILE A 85 10.272 26.380 -9.396 1.00 0.06 C ATOM 1272 CG1 ILE A 85 10.727 25.779 -10.735 1.00 0.08 C ATOM 1273 CG2 ILE A 85 9.730 27.803 -9.625 1.00 0.04 C ATOM 1274 CD1 ILE A 85 9.530 25.659 -11.685 1.00 0.07 C ATOM 0 H ILE A 85 10.981 24.400 -7.979 1.00 0.14 H new ATOM 0 HA ILE A 85 12.356 26.735 -8.980 1.00 0.09 H new ATOM 0 HB ILE A 85 9.484 25.759 -8.969 1.00 0.06 H new ATOM 0 HG12 ILE A 85 11.497 26.407 -11.183 1.00 0.08 H new ATOM 0 HG13 ILE A 85 11.172 24.798 -10.571 1.00 0.08 H new ATOM 0 HG21 ILE A 85 8.885 27.764 -10.312 1.00 0.04 H new ATOM 0 HG22 ILE A 85 9.405 28.226 -8.674 1.00 0.04 H new ATOM 0 HG23 ILE A 85 10.516 28.427 -10.051 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.859 25.232 -12.633 1.00 0.07 H new ATOM 0 HD12 ILE A 85 8.775 25.012 -11.239 1.00 0.07 H new ATOM 0 HD13 ILE A 85 9.104 26.647 -11.860 1.00 0.07 H new ATOM 1286 N ARG A 86 10.447 27.070 -6.306 1.00 0.12 N ATOM 1287 CA ARG A 86 10.149 28.031 -5.208 1.00 0.14 C ATOM 1288 C ARG A 86 11.439 28.342 -4.449 1.00 0.16 C ATOM 1289 O ARG A 86 11.761 29.487 -4.206 1.00 0.20 O ATOM 1290 CB ARG A 86 9.126 27.417 -4.250 1.00 0.16 C ATOM 1291 CG ARG A 86 8.635 28.483 -3.268 1.00 0.85 C ATOM 1292 CD ARG A 86 7.428 27.946 -2.496 1.00 0.93 C ATOM 1293 NE ARG A 86 7.839 26.758 -1.696 1.00 0.98 N ATOM 1294 CZ ARG A 86 7.063 26.312 -0.746 1.00 1.62 C ATOM 1295 NH1 ARG A 86 5.924 26.902 -0.506 1.00 1.54 N ATOM 1296 NH2 ARG A 86 7.425 25.278 -0.039 1.00 2.71 N ATOM 0 H ARG A 86 10.034 26.143 -6.201 1.00 0.12 H new ATOM 0 HA ARG A 86 9.740 28.950 -5.628 1.00 0.14 H new ATOM 0 HB2 ARG A 86 8.285 27.011 -4.812 1.00 0.16 H new ATOM 0 HB3 ARG A 86 9.576 26.587 -3.706 1.00 0.16 H new ATOM 0 HG2 ARG A 86 9.433 28.751 -2.576 1.00 0.85 H new ATOM 0 HG3 ARG A 86 8.362 29.391 -3.806 1.00 0.85 H new ATOM 0 HD2 ARG A 86 7.029 28.719 -1.840 1.00 0.93 H new ATOM 0 HD3 ARG A 86 6.632 27.674 -3.189 1.00 0.93 H new ATOM 0 HE ARG A 86 8.726 26.294 -1.891 1.00 0.98 H new ATOM 0 HH11 ARG A 86 5.642 27.710 -1.060 1.00 1.54 H new ATOM 0 HH12 ARG A 86 5.316 26.555 0.236 1.00 1.54 H new ATOM 0 HH21 ARG A 86 8.315 24.817 -0.228 1.00 2.71 H new ATOM 0 HH22 ARG A 86 6.818 24.930 0.703 1.00 2.71 H new ATOM 1310 N GLU A 87 12.184 27.334 -4.073 1.00 0.22 N ATOM 1311 CA GLU A 87 13.450 27.601 -3.336 1.00 0.23 C ATOM 1312 C GLU A 87 14.359 28.456 -4.214 1.00 0.17 C ATOM 1313 O GLU A 87 15.222 29.158 -3.723 1.00 0.14 O ATOM 1314 CB GLU A 87 14.148 26.282 -2.966 1.00 0.28 C ATOM 1315 CG GLU A 87 13.452 25.654 -1.756 1.00 0.52 C ATOM 1316 CD GLU A 87 13.981 24.234 -1.543 1.00 0.70 C ATOM 1317 OE1 GLU A 87 15.166 24.029 -1.743 1.00 0.96 O ATOM 1318 OE2 GLU A 87 13.193 23.377 -1.184 1.00 1.66 O ATOM 0 H GLU A 87 11.972 26.351 -4.243 1.00 0.22 H new ATOM 0 HA GLU A 87 13.228 28.133 -2.411 1.00 0.23 H new ATOM 0 HB2 GLU A 87 14.120 25.595 -3.811 1.00 0.28 H new ATOM 0 HB3 GLU A 87 15.198 26.466 -2.739 1.00 0.28 H new ATOM 0 HG2 GLU A 87 13.631 26.258 -0.866 1.00 0.52 H new ATOM 0 HG3 GLU A 87 12.374 25.632 -1.914 1.00 0.52 H new ATOM 1325 N ALA A 88 14.155 28.446 -5.507 1.00 0.15 N ATOM 1326 CA ALA A 88 14.988 29.308 -6.381 1.00 0.09 C ATOM 1327 C ALA A 88 14.407 30.707 -6.294 1.00 0.05 C ATOM 1328 O ALA A 88 15.094 31.673 -6.071 1.00 0.04 O ATOM 1329 CB ALA A 88 14.933 28.830 -7.830 1.00 0.12 C ATOM 0 H ALA A 88 13.453 27.882 -5.986 1.00 0.15 H new ATOM 0 HA ALA A 88 16.029 29.278 -6.060 1.00 0.09 H new ATOM 0 HB1 ALA A 88 15.552 29.478 -8.451 1.00 0.12 H new ATOM 0 HB2 ALA A 88 15.305 27.807 -7.890 1.00 0.12 H new ATOM 0 HB3 ALA A 88 13.903 28.863 -8.185 1.00 0.12 H new ATOM 1335 N PHE A 89 13.124 30.820 -6.430 1.00 0.07 N ATOM 1336 CA PHE A 89 12.516 32.162 -6.313 1.00 0.11 C ATOM 1337 C PHE A 89 12.858 32.687 -4.918 1.00 0.13 C ATOM 1338 O PHE A 89 12.910 33.878 -4.685 1.00 0.14 O ATOM 1339 CB PHE A 89 10.994 32.072 -6.513 1.00 0.14 C ATOM 1340 CG PHE A 89 10.660 32.145 -7.994 1.00 0.11 C ATOM 1341 CD1 PHE A 89 10.903 33.330 -8.703 1.00 0.15 C ATOM 1342 CD2 PHE A 89 10.114 31.031 -8.666 1.00 0.08 C ATOM 1343 CE1 PHE A 89 10.599 33.397 -10.057 1.00 0.16 C ATOM 1344 CE2 PHE A 89 9.814 31.117 -10.043 1.00 0.06 C ATOM 1345 CZ PHE A 89 10.064 32.318 -10.726 1.00 0.12 C ATOM 0 H PHE A 89 12.478 30.053 -6.615 1.00 0.07 H new ATOM 0 HA PHE A 89 12.901 32.838 -7.076 1.00 0.11 H new ATOM 0 HB2 PHE A 89 10.618 31.139 -6.092 1.00 0.14 H new ATOM 0 HB3 PHE A 89 10.500 32.884 -5.980 1.00 0.14 H new ATOM 0 HD1 PHE A 89 11.325 34.187 -8.199 1.00 0.15 H new ATOM 0 HD2 PHE A 89 9.926 30.114 -8.128 1.00 0.08 H new ATOM 0 HE1 PHE A 89 10.786 34.314 -10.596 1.00 0.16 H new ATOM 0 HE2 PHE A 89 9.397 30.269 -10.565 1.00 0.06 H new ATOM 0 HZ PHE A 89 9.836 32.396 -11.779 1.00 0.12 H new ATOM 1355 N ARG A 90 13.139 31.796 -3.995 1.00 0.14 N ATOM 1356 CA ARG A 90 13.533 32.242 -2.632 1.00 0.15 C ATOM 1357 C ARG A 90 14.939 32.830 -2.736 1.00 0.14 C ATOM 1358 O ARG A 90 15.225 33.898 -2.231 1.00 0.22 O ATOM 1359 CB ARG A 90 13.538 31.046 -1.675 1.00 0.14 C ATOM 1360 CG ARG A 90 13.687 31.545 -0.238 1.00 0.49 C ATOM 1361 CD ARG A 90 14.031 30.367 0.676 1.00 0.62 C ATOM 1362 NE ARG A 90 15.393 29.860 0.349 1.00 2.63 N ATOM 1363 CZ ARG A 90 16.014 29.076 1.189 1.00 3.47 C ATOM 1364 NH1 ARG A 90 15.447 28.754 2.320 1.00 2.83 N ATOM 1365 NH2 ARG A 90 17.202 28.619 0.901 1.00 5.41 N ATOM 0 H ARG A 90 13.111 30.786 -4.132 1.00 0.14 H new ATOM 0 HA ARG A 90 12.831 32.983 -2.249 1.00 0.15 H new ATOM 0 HB2 ARG A 90 12.613 30.478 -1.780 1.00 0.14 H new ATOM 0 HB3 ARG A 90 14.357 30.371 -1.924 1.00 0.14 H new ATOM 0 HG2 ARG A 90 14.469 32.302 -0.184 1.00 0.49 H new ATOM 0 HG3 ARG A 90 12.762 32.018 0.092 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.989 30.679 1.719 1.00 0.62 H new ATOM 0 HD3 ARG A 90 13.297 29.571 0.552 1.00 0.62 H new ATOM 0 HE ARG A 90 15.840 30.125 -0.529 1.00 2.63 H new ATOM 0 HH11 ARG A 90 14.520 29.115 2.547 1.00 2.83 H new ATOM 0 HH12 ARG A 90 15.931 28.142 2.977 1.00 2.83 H new ATOM 0 HH21 ARG A 90 17.647 28.874 0.019 1.00 5.41 H new ATOM 0 HH22 ARG A 90 17.686 28.007 1.558 1.00 5.41 H new ATOM 1379 N VAL A 91 15.811 32.147 -3.432 1.00 0.13 N ATOM 1380 CA VAL A 91 17.199 32.665 -3.628 1.00 0.22 C ATOM 1381 C VAL A 91 17.084 34.091 -4.167 1.00 0.27 C ATOM 1382 O VAL A 91 18.023 34.861 -4.146 1.00 0.38 O ATOM 1383 CB VAL A 91 17.927 31.773 -4.672 1.00 0.26 C ATOM 1384 CG1 VAL A 91 18.970 32.574 -5.464 1.00 0.35 C ATOM 1385 CG2 VAL A 91 18.620 30.598 -3.966 1.00 0.30 C ATOM 0 H VAL A 91 15.621 31.248 -3.875 1.00 0.13 H new ATOM 0 HA VAL A 91 17.760 32.652 -2.693 1.00 0.22 H new ATOM 0 HB VAL A 91 17.177 31.399 -5.369 1.00 0.26 H new ATOM 0 HG11 VAL A 91 19.460 31.920 -6.185 1.00 0.35 H new ATOM 0 HG12 VAL A 91 18.478 33.391 -5.991 1.00 0.35 H new ATOM 0 HG13 VAL A 91 19.714 32.981 -4.779 1.00 0.35 H new ATOM 0 HG21 VAL A 91 19.128 29.978 -4.705 1.00 0.30 H new ATOM 0 HG22 VAL A 91 19.349 30.981 -3.252 1.00 0.30 H new ATOM 0 HG23 VAL A 91 17.876 30.000 -3.440 1.00 0.30 H new ATOM 1395 N PHE A 92 15.942 34.410 -4.702 1.00 0.21 N ATOM 1396 CA PHE A 92 15.735 35.745 -5.327 1.00 0.28 C ATOM 1397 C PHE A 92 14.995 36.705 -4.395 1.00 0.39 C ATOM 1398 O PHE A 92 14.984 37.901 -4.604 1.00 0.51 O ATOM 1399 CB PHE A 92 14.963 35.490 -6.624 1.00 0.19 C ATOM 1400 CG PHE A 92 15.954 35.295 -7.735 1.00 0.17 C ATOM 1401 CD1 PHE A 92 16.486 34.025 -8.020 1.00 0.16 C ATOM 1402 CD2 PHE A 92 16.350 36.403 -8.464 1.00 0.24 C ATOM 1403 CE1 PHE A 92 17.421 33.877 -9.039 1.00 0.28 C ATOM 1404 CE2 PHE A 92 17.288 36.258 -9.498 1.00 0.31 C ATOM 1405 CZ PHE A 92 17.823 34.987 -9.779 1.00 0.35 C ATOM 0 H PHE A 92 15.130 33.793 -4.734 1.00 0.21 H new ATOM 0 HA PHE A 92 16.688 36.234 -5.531 1.00 0.28 H new ATOM 0 HB2 PHE A 92 14.330 34.609 -6.521 1.00 0.19 H new ATOM 0 HB3 PHE A 92 14.305 36.331 -6.846 1.00 0.19 H new ATOM 0 HD1 PHE A 92 16.169 33.165 -7.448 1.00 0.16 H new ATOM 0 HD2 PHE A 92 15.939 37.376 -8.238 1.00 0.24 H new ATOM 0 HE1 PHE A 92 17.835 32.903 -9.256 1.00 0.28 H new ATOM 0 HE2 PHE A 92 17.597 37.117 -10.075 1.00 0.31 H new ATOM 0 HZ PHE A 92 18.548 34.872 -10.571 1.00 0.35 H new ATOM 1415 N ASP A 93 14.427 36.203 -3.357 1.00 0.35 N ATOM 1416 CA ASP A 93 13.722 37.078 -2.373 1.00 0.47 C ATOM 1417 C ASP A 93 14.736 37.511 -1.313 1.00 0.63 C ATOM 1418 O ASP A 93 14.592 37.236 -0.138 1.00 0.68 O ATOM 1419 CB ASP A 93 12.580 36.301 -1.715 1.00 0.45 C ATOM 1420 CG ASP A 93 11.963 37.145 -0.599 1.00 0.62 C ATOM 1421 OD1 ASP A 93 12.383 38.279 -0.439 1.00 1.54 O ATOM 1422 OD2 ASP A 93 11.079 36.641 0.076 1.00 0.57 O ATOM 0 H ASP A 93 14.413 35.208 -3.132 1.00 0.35 H new ATOM 0 HA ASP A 93 13.303 37.951 -2.873 1.00 0.47 H new ATOM 0 HB2 ASP A 93 11.822 36.051 -2.457 1.00 0.45 H new ATOM 0 HB3 ASP A 93 12.953 35.360 -1.310 1.00 0.45 H new ATOM 1489 N TYR A 99 8.068 38.828 -2.488 1.00 0.29 N ATOM 1490 CA TYR A 99 7.830 39.415 -3.848 1.00 0.29 C ATOM 1491 C TYR A 99 9.150 39.904 -4.457 1.00 0.28 C ATOM 1492 O TYR A 99 10.051 40.338 -3.766 1.00 0.28 O ATOM 1493 CB TYR A 99 6.869 40.606 -3.724 1.00 0.23 C ATOM 1494 CG TYR A 99 5.451 40.108 -3.563 1.00 0.36 C ATOM 1495 CD1 TYR A 99 5.048 39.539 -2.353 1.00 0.62 C ATOM 1496 CD2 TYR A 99 4.541 40.218 -4.621 1.00 1.12 C ATOM 1497 CE1 TYR A 99 3.737 39.077 -2.194 1.00 0.58 C ATOM 1498 CE2 TYR A 99 3.228 39.757 -4.466 1.00 1.31 C ATOM 1499 CZ TYR A 99 2.827 39.186 -3.252 1.00 0.74 C ATOM 1500 OH TYR A 99 1.532 38.732 -3.100 1.00 0.93 O ATOM 0 HA TYR A 99 7.401 38.648 -4.492 1.00 0.29 H new ATOM 0 HB2 TYR A 99 7.147 41.221 -2.868 1.00 0.23 H new ATOM 0 HB3 TYR A 99 6.943 41.238 -4.609 1.00 0.23 H new ATOM 0 HD1 TYR A 99 5.751 39.455 -1.537 1.00 0.62 H new ATOM 0 HD2 TYR A 99 4.852 40.658 -5.557 1.00 1.12 H new ATOM 0 HE1 TYR A 99 3.428 38.637 -1.257 1.00 0.58 H new ATOM 0 HE2 TYR A 99 2.525 39.842 -5.282 1.00 1.31 H new ATOM 0 HH TYR A 99 1.032 38.884 -3.929 1.00 0.93 H new ATOM 1510 N ILE A 100 9.237 39.869 -5.760 1.00 0.26 N ATOM 1511 CA ILE A 100 10.457 40.365 -6.473 1.00 0.24 C ATOM 1512 C ILE A 100 9.987 41.105 -7.726 1.00 0.17 C ATOM 1513 O ILE A 100 8.846 40.989 -8.124 1.00 0.16 O ATOM 1514 CB ILE A 100 11.394 39.206 -6.890 1.00 0.27 C ATOM 1515 CG1 ILE A 100 10.622 38.218 -7.784 1.00 0.30 C ATOM 1516 CG2 ILE A 100 11.978 38.469 -5.655 1.00 0.27 C ATOM 1517 CD1 ILE A 100 11.497 37.007 -8.109 1.00 0.33 C ATOM 0 H ILE A 100 8.504 39.512 -6.373 1.00 0.26 H new ATOM 0 HA ILE A 100 11.021 41.016 -5.804 1.00 0.24 H new ATOM 0 HB ILE A 100 12.232 39.627 -7.446 1.00 0.27 H new ATOM 0 HG12 ILE A 100 9.712 37.894 -7.279 1.00 0.30 H new ATOM 0 HG13 ILE A 100 10.316 38.713 -8.706 1.00 0.30 H new ATOM 0 HG21 ILE A 100 12.631 37.662 -5.988 1.00 0.27 H new ATOM 0 HG22 ILE A 100 12.550 39.172 -5.049 1.00 0.27 H new ATOM 0 HG23 ILE A 100 11.164 38.055 -5.060 1.00 0.27 H new ATOM 0 HD11 ILE A 100 10.941 36.315 -8.742 1.00 0.33 H new ATOM 0 HD12 ILE A 100 12.394 37.336 -8.633 1.00 0.33 H new ATOM 0 HD13 ILE A 100 11.781 36.505 -7.184 1.00 0.33 H new ATOM 1529 N SER A 101 10.842 41.857 -8.357 1.00 0.15 N ATOM 1530 CA SER A 101 10.409 42.582 -9.587 1.00 0.10 C ATOM 1531 C SER A 101 10.350 41.601 -10.764 1.00 0.10 C ATOM 1532 O SER A 101 11.180 40.723 -10.894 1.00 0.13 O ATOM 1533 CB SER A 101 11.395 43.710 -9.895 1.00 0.16 C ATOM 1534 OG SER A 101 12.673 43.154 -10.169 1.00 0.22 O ATOM 0 H SER A 101 11.813 42.002 -8.080 1.00 0.15 H new ATOM 0 HA SER A 101 9.420 43.011 -9.427 1.00 0.10 H new ATOM 0 HB2 SER A 101 11.047 44.290 -10.750 1.00 0.16 H new ATOM 0 HB3 SER A 101 11.457 44.395 -9.050 1.00 0.16 H new ATOM 0 HG SER A 101 13.063 42.806 -9.340 1.00 0.22 H new ATOM 1540 N ALA A 102 9.359 41.734 -11.612 1.00 0.08 N ATOM 1541 CA ALA A 102 9.215 40.809 -12.778 1.00 0.09 C ATOM 1542 C ALA A 102 10.575 40.530 -13.418 1.00 0.08 C ATOM 1543 O ALA A 102 10.818 39.457 -13.931 1.00 0.07 O ATOM 1544 CB ALA A 102 8.289 41.443 -13.818 1.00 0.14 C ATOM 0 H ALA A 102 8.637 42.451 -11.545 1.00 0.08 H new ATOM 0 HA ALA A 102 8.794 39.868 -12.425 1.00 0.09 H new ATOM 0 HB1 ALA A 102 8.183 40.770 -14.669 1.00 0.14 H new ATOM 0 HB2 ALA A 102 7.310 41.622 -13.373 1.00 0.14 H new ATOM 0 HB3 ALA A 102 8.713 42.389 -14.154 1.00 0.14 H new ATOM 1550 N ALA A 103 11.466 41.478 -13.403 1.00 0.11 N ATOM 1551 CA ALA A 103 12.799 41.234 -14.015 1.00 0.15 C ATOM 1552 C ALA A 103 13.469 40.093 -13.264 1.00 0.14 C ATOM 1553 O ALA A 103 13.857 39.093 -13.834 1.00 0.19 O ATOM 1554 CB ALA A 103 13.659 42.496 -13.917 1.00 0.16 C ATOM 0 H ALA A 103 11.332 42.404 -12.997 1.00 0.11 H new ATOM 0 HA ALA A 103 12.684 40.975 -15.067 1.00 0.15 H new ATOM 0 HB1 ALA A 103 14.634 42.308 -14.368 1.00 0.16 H new ATOM 0 HB2 ALA A 103 13.167 43.313 -14.444 1.00 0.16 H new ATOM 0 HB3 ALA A 103 13.790 42.767 -12.869 1.00 0.16 H new ATOM 1560 N GLU A 104 13.586 40.237 -11.982 1.00 0.12 N ATOM 1561 CA GLU A 104 14.203 39.164 -11.161 1.00 0.12 C ATOM 1562 C GLU A 104 13.410 37.870 -11.366 1.00 0.13 C ATOM 1563 O GLU A 104 13.944 36.782 -11.281 1.00 0.15 O ATOM 1564 CB GLU A 104 14.159 39.583 -9.688 1.00 0.12 C ATOM 1565 CG GLU A 104 15.317 40.538 -9.383 1.00 0.59 C ATOM 1566 CD GLU A 104 15.069 41.228 -8.040 1.00 0.47 C ATOM 1567 OE1 GLU A 104 13.984 41.754 -7.858 1.00 0.35 O ATOM 1568 OE2 GLU A 104 15.970 41.218 -7.216 1.00 0.56 O ATOM 0 H GLU A 104 13.279 41.058 -11.460 1.00 0.12 H new ATOM 0 HA GLU A 104 15.239 39.001 -11.457 1.00 0.12 H new ATOM 0 HB2 GLU A 104 13.208 40.068 -9.467 1.00 0.12 H new ATOM 0 HB3 GLU A 104 14.224 38.703 -9.048 1.00 0.12 H new ATOM 0 HG2 GLU A 104 16.258 39.988 -9.353 1.00 0.59 H new ATOM 0 HG3 GLU A 104 15.407 41.282 -10.175 1.00 0.59 H new ATOM 1575 N LEU A 105 12.137 37.978 -11.651 1.00 0.12 N ATOM 1576 CA LEU A 105 11.318 36.755 -11.875 1.00 0.14 C ATOM 1577 C LEU A 105 11.725 36.130 -13.202 1.00 0.15 C ATOM 1578 O LEU A 105 11.957 34.942 -13.299 1.00 0.18 O ATOM 1579 CB LEU A 105 9.828 37.130 -11.923 1.00 0.15 C ATOM 1580 CG LEU A 105 8.933 35.854 -12.082 1.00 0.07 C ATOM 1581 CD1 LEU A 105 8.177 35.489 -10.781 1.00 0.17 C ATOM 1582 CD2 LEU A 105 7.894 36.081 -13.179 1.00 0.19 C ATOM 0 H LEU A 105 11.633 38.860 -11.738 1.00 0.12 H new ATOM 0 HA LEU A 105 11.482 36.048 -11.062 1.00 0.14 H new ATOM 0 HB2 LEU A 105 9.553 37.660 -11.011 1.00 0.15 H new ATOM 0 HB3 LEU A 105 9.647 37.811 -12.754 1.00 0.15 H new ATOM 0 HG LEU A 105 9.606 35.034 -12.334 1.00 0.07 H new ATOM 0 HD11 LEU A 105 7.573 34.597 -10.949 1.00 0.17 H new ATOM 0 HD12 LEU A 105 8.896 35.295 -9.985 1.00 0.17 H new ATOM 0 HD13 LEU A 105 7.529 36.317 -10.492 1.00 0.17 H new ATOM 0 HD21 LEU A 105 7.275 35.190 -13.284 1.00 0.19 H new ATOM 0 HD22 LEU A 105 7.265 36.931 -12.914 1.00 0.19 H new ATOM 0 HD23 LEU A 105 8.400 36.285 -14.123 1.00 0.19 H new ATOM 1594 N ARG A 106 11.830 36.925 -14.225 1.00 0.14 N ATOM 1595 CA ARG A 106 12.240 36.376 -15.540 1.00 0.17 C ATOM 1596 C ARG A 106 13.661 35.845 -15.404 1.00 0.20 C ATOM 1597 O ARG A 106 14.054 34.910 -16.069 1.00 0.29 O ATOM 1598 CB ARG A 106 12.192 37.484 -16.604 1.00 0.16 C ATOM 1599 CG ARG A 106 10.753 37.660 -17.115 1.00 0.86 C ATOM 1600 CD ARG A 106 10.654 38.883 -18.060 1.00 0.87 C ATOM 1601 NE ARG A 106 9.930 38.509 -19.324 1.00 1.75 N ATOM 1602 CZ ARG A 106 10.324 37.512 -20.075 1.00 2.20 C ATOM 1603 NH1 ARG A 106 11.421 36.865 -19.790 1.00 2.28 N ATOM 1604 NH2 ARG A 106 9.630 37.183 -21.131 1.00 3.14 N ATOM 0 H ARG A 106 11.650 37.929 -14.207 1.00 0.14 H new ATOM 0 HA ARG A 106 11.566 35.576 -15.846 1.00 0.17 H new ATOM 0 HB2 ARG A 106 12.554 38.421 -16.181 1.00 0.16 H new ATOM 0 HB3 ARG A 106 12.853 37.232 -17.433 1.00 0.16 H new ATOM 0 HG2 ARG A 106 10.436 36.760 -17.642 1.00 0.86 H new ATOM 0 HG3 ARG A 106 10.075 37.790 -16.271 1.00 0.86 H new ATOM 0 HD2 ARG A 106 10.129 39.696 -17.559 1.00 0.87 H new ATOM 0 HD3 ARG A 106 11.653 39.248 -18.299 1.00 0.87 H new ATOM 0 HE ARG A 106 9.110 39.047 -19.604 1.00 1.75 H new ATOM 0 HH11 ARG A 106 11.976 37.135 -18.978 1.00 2.28 H new ATOM 0 HH12 ARG A 106 11.723 36.089 -20.379 1.00 2.28 H new ATOM 0 HH21 ARG A 106 8.785 37.702 -21.368 1.00 3.14 H new ATOM 0 HH22 ARG A 106 9.933 36.407 -21.719 1.00 3.14 H new ATOM 1618 N HIS A 107 14.429 36.436 -14.533 1.00 0.12 N ATOM 1619 CA HIS A 107 15.824 35.986 -14.328 1.00 0.14 C ATOM 1620 C HIS A 107 15.822 34.656 -13.565 1.00 0.15 C ATOM 1621 O HIS A 107 16.555 33.743 -13.890 1.00 0.16 O ATOM 1622 CB HIS A 107 16.560 37.065 -13.522 1.00 0.14 C ATOM 1623 CG HIS A 107 18.037 36.982 -13.772 1.00 0.24 C ATOM 1624 ND1 HIS A 107 18.591 37.156 -15.031 1.00 0.31 N ATOM 1625 CD2 HIS A 107 19.087 36.751 -12.930 1.00 0.41 C ATOM 1626 CE1 HIS A 107 19.923 37.026 -14.907 1.00 0.35 C ATOM 1627 NE2 HIS A 107 20.281 36.776 -13.645 1.00 0.43 N ATOM 0 H HIS A 107 14.141 37.221 -13.949 1.00 0.12 H new ATOM 0 HA HIS A 107 16.326 35.835 -15.284 1.00 0.14 H new ATOM 0 HB2 HIS A 107 16.192 38.052 -13.801 1.00 0.14 H new ATOM 0 HB3 HIS A 107 16.356 36.937 -12.459 1.00 0.14 H new ATOM 0 HD2 HIS A 107 19.003 36.575 -11.868 1.00 0.41 H new ATOM 0 HE1 HIS A 107 20.619 37.113 -15.728 1.00 0.35 H new ATOM 0 HE2 HIS A 107 21.224 36.634 -13.284 1.00 0.43 H new ATOM 1635 N VAL A 108 14.993 34.529 -12.558 1.00 0.14 N ATOM 1636 CA VAL A 108 14.945 33.251 -11.798 1.00 0.16 C ATOM 1637 C VAL A 108 14.668 32.115 -12.778 1.00 0.16 C ATOM 1638 O VAL A 108 15.178 31.021 -12.644 1.00 0.17 O ATOM 1639 CB VAL A 108 13.778 33.272 -10.799 1.00 0.15 C ATOM 1640 CG1 VAL A 108 13.675 31.897 -10.108 1.00 0.20 C ATOM 1641 CG2 VAL A 108 13.987 34.382 -9.749 1.00 0.19 C ATOM 0 H VAL A 108 14.352 35.254 -12.234 1.00 0.14 H new ATOM 0 HA VAL A 108 15.892 33.118 -11.274 1.00 0.16 H new ATOM 0 HB VAL A 108 12.851 33.479 -11.334 1.00 0.15 H new ATOM 0 HG11 VAL A 108 12.848 31.908 -9.398 1.00 0.20 H new ATOM 0 HG12 VAL A 108 13.500 31.125 -10.858 1.00 0.20 H new ATOM 0 HG13 VAL A 108 14.604 31.685 -9.579 1.00 0.20 H new ATOM 0 HG21 VAL A 108 13.151 34.383 -9.049 1.00 0.19 H new ATOM 0 HG22 VAL A 108 14.915 34.200 -9.206 1.00 0.19 H new ATOM 0 HG23 VAL A 108 14.043 35.349 -10.248 1.00 0.19 H new ATOM 1651 N MET A 109 13.812 32.362 -13.737 1.00 0.13 N ATOM 1652 CA MET A 109 13.445 31.289 -14.694 1.00 0.12 C ATOM 1653 C MET A 109 14.601 31.008 -15.672 1.00 0.12 C ATOM 1654 O MET A 109 14.742 29.906 -16.165 1.00 0.12 O ATOM 1655 CB MET A 109 12.188 31.710 -15.473 1.00 0.12 C ATOM 1656 CG MET A 109 11.056 32.061 -14.497 1.00 0.12 C ATOM 1657 SD MET A 109 9.828 33.085 -15.348 1.00 0.12 S ATOM 1658 CE MET A 109 8.714 31.754 -15.860 1.00 0.06 C ATOM 0 H MET A 109 13.355 33.260 -13.894 1.00 0.13 H new ATOM 0 HA MET A 109 13.242 30.375 -14.136 1.00 0.12 H new ATOM 0 HB2 MET A 109 12.413 32.569 -16.105 1.00 0.12 H new ATOM 0 HB3 MET A 109 11.872 30.902 -16.133 1.00 0.12 H new ATOM 0 HG2 MET A 109 10.589 31.151 -14.121 1.00 0.12 H new ATOM 0 HG3 MET A 109 11.456 32.594 -13.635 1.00 0.12 H new ATOM 0 HE1 MET A 109 7.855 32.178 -16.380 1.00 0.06 H new ATOM 0 HE2 MET A 109 9.243 31.074 -16.528 1.00 0.06 H new ATOM 0 HE3 MET A 109 8.373 31.207 -14.981 1.00 0.06 H new ATOM 1668 N THR A 110 15.421 31.989 -15.983 1.00 0.12 N ATOM 1669 CA THR A 110 16.535 31.766 -16.941 1.00 0.13 C ATOM 1670 C THR A 110 17.768 31.196 -16.214 1.00 0.15 C ATOM 1671 O THR A 110 18.415 30.290 -16.697 1.00 0.16 O ATOM 1672 CB THR A 110 16.866 33.127 -17.599 1.00 0.12 C ATOM 1673 OG1 THR A 110 15.974 34.108 -17.099 1.00 0.12 O ATOM 1674 CG2 THR A 110 16.703 33.044 -19.119 1.00 0.11 C ATOM 0 H THR A 110 15.359 32.936 -15.608 1.00 0.12 H new ATOM 0 HA THR A 110 16.244 31.041 -17.701 1.00 0.13 H new ATOM 0 HB THR A 110 17.898 33.389 -17.366 1.00 0.12 H new ATOM 0 HG1 THR A 110 15.051 33.836 -17.284 1.00 0.12 H new ATOM 0 HG21 THR A 110 16.940 34.011 -19.564 1.00 0.11 H new ATOM 0 HG22 THR A 110 17.378 32.286 -19.516 1.00 0.11 H new ATOM 0 HG23 THR A 110 15.674 32.776 -19.361 1.00 0.11 H new ATOM 1682 N ASN A 111 18.112 31.735 -15.072 1.00 0.17 N ATOM 1683 CA ASN A 111 19.315 31.235 -14.345 1.00 0.20 C ATOM 1684 C ASN A 111 19.134 29.765 -13.978 1.00 0.23 C ATOM 1685 O ASN A 111 20.085 29.020 -13.851 1.00 0.28 O ATOM 1686 CB ASN A 111 19.526 32.056 -13.071 1.00 0.21 C ATOM 1687 CG ASN A 111 20.701 31.479 -12.279 1.00 0.62 C ATOM 1688 OD1 ASN A 111 20.584 30.434 -11.671 1.00 1.40 O ATOM 1689 ND2 ASN A 111 21.840 32.118 -12.264 1.00 0.79 N ATOM 0 H ASN A 111 17.613 32.497 -14.614 1.00 0.17 H new ATOM 0 HA ASN A 111 20.186 31.336 -14.993 1.00 0.20 H new ATOM 0 HB2 ASN A 111 19.722 33.098 -13.326 1.00 0.21 H new ATOM 0 HB3 ASN A 111 18.622 32.041 -12.463 1.00 0.21 H new ATOM 0 HD21 ASN A 111 22.630 31.739 -11.742 1.00 0.79 H new ATOM 0 HD22 ASN A 111 21.939 32.996 -12.774 1.00 0.79 H new ATOM 1696 N LEU A 112 17.922 29.352 -13.796 1.00 0.23 N ATOM 1697 CA LEU A 112 17.664 27.931 -13.421 1.00 0.26 C ATOM 1698 C LEU A 112 18.182 26.996 -14.509 1.00 0.31 C ATOM 1699 O LEU A 112 18.535 25.859 -14.264 1.00 0.36 O ATOM 1700 CB LEU A 112 16.151 27.722 -13.212 1.00 0.25 C ATOM 1701 CG LEU A 112 15.775 28.023 -11.749 1.00 0.23 C ATOM 1702 CD1 LEU A 112 14.246 28.066 -11.615 1.00 0.21 C ATOM 1703 CD2 LEU A 112 16.357 26.946 -10.805 1.00 0.30 C ATOM 0 H LEU A 112 17.089 29.934 -13.889 1.00 0.23 H new ATOM 0 HA LEU A 112 18.189 27.703 -12.493 1.00 0.26 H new ATOM 0 HB2 LEU A 112 15.590 28.373 -13.882 1.00 0.25 H new ATOM 0 HB3 LEU A 112 15.879 26.697 -13.462 1.00 0.25 H new ATOM 0 HG LEU A 112 16.194 28.989 -11.467 1.00 0.23 H new ATOM 0 HD11 LEU A 112 13.977 28.279 -10.580 1.00 0.21 H new ATOM 0 HD12 LEU A 112 13.846 28.847 -12.262 1.00 0.21 H new ATOM 0 HD13 LEU A 112 13.828 27.103 -11.908 1.00 0.21 H new ATOM 0 HD21 LEU A 112 16.081 27.176 -9.776 1.00 0.30 H new ATOM 0 HD22 LEU A 112 15.958 25.969 -11.078 1.00 0.30 H new ATOM 0 HD23 LEU A 112 17.443 26.932 -10.894 1.00 0.30 H new ATOM 1715 N GLY A 113 18.227 27.477 -15.699 1.00 0.31 N ATOM 1716 CA GLY A 113 18.720 26.647 -16.840 1.00 0.37 C ATOM 1717 C GLY A 113 17.553 25.881 -17.459 1.00 0.23 C ATOM 1718 O GLY A 113 17.722 24.807 -18.004 1.00 0.17 O ATOM 0 H GLY A 113 17.942 28.424 -15.949 1.00 0.31 H new ATOM 0 HA2 GLY A 113 19.189 27.284 -17.590 1.00 0.37 H new ATOM 0 HA3 GLY A 113 19.482 25.950 -16.493 1.00 0.37 H new ATOM 1722 N GLU A 114 16.371 26.421 -17.380 1.00 0.24 N ATOM 1723 CA GLU A 114 15.193 25.730 -17.961 1.00 0.24 C ATOM 1724 C GLU A 114 15.170 25.970 -19.483 1.00 0.33 C ATOM 1725 O GLU A 114 15.522 27.037 -19.945 1.00 0.50 O ATOM 1726 CB GLU A 114 13.923 26.303 -17.320 1.00 0.37 C ATOM 1727 CG GLU A 114 13.825 25.828 -15.870 1.00 0.31 C ATOM 1728 CD GLU A 114 13.450 24.345 -15.844 1.00 0.92 C ATOM 1729 OE1 GLU A 114 12.286 24.046 -16.051 1.00 1.52 O ATOM 1730 OE2 GLU A 114 14.335 23.535 -15.620 1.00 2.15 O ATOM 0 H GLU A 114 16.171 27.317 -16.935 1.00 0.24 H new ATOM 0 HA GLU A 114 15.246 24.658 -17.769 1.00 0.24 H new ATOM 0 HB2 GLU A 114 13.944 27.392 -17.356 1.00 0.37 H new ATOM 0 HB3 GLU A 114 13.044 25.982 -17.879 1.00 0.37 H new ATOM 0 HG2 GLU A 114 14.776 25.983 -15.360 1.00 0.31 H new ATOM 0 HG3 GLU A 114 13.077 26.413 -15.334 1.00 0.31 H new ATOM 1737 N LYS A 115 14.781 24.992 -20.271 1.00 0.30 N ATOM 1738 CA LYS A 115 14.768 25.190 -21.751 1.00 0.39 C ATOM 1739 C LYS A 115 13.513 25.945 -22.165 1.00 0.31 C ATOM 1740 O LYS A 115 12.911 25.683 -23.187 1.00 0.42 O ATOM 1741 CB LYS A 115 14.789 23.830 -22.440 1.00 0.52 C ATOM 1742 CG LYS A 115 16.206 23.247 -22.407 1.00 0.68 C ATOM 1743 CD LYS A 115 16.150 21.746 -22.717 1.00 0.49 C ATOM 1744 CE LYS A 115 15.411 21.520 -24.037 1.00 1.56 C ATOM 1745 NZ LYS A 115 15.674 20.136 -24.520 1.00 1.91 N ATOM 0 H LYS A 115 14.475 24.073 -19.952 1.00 0.30 H new ATOM 0 HA LYS A 115 15.645 25.768 -22.043 1.00 0.39 H new ATOM 0 HB2 LYS A 115 14.096 23.151 -21.943 1.00 0.52 H new ATOM 0 HB3 LYS A 115 14.452 23.931 -23.472 1.00 0.52 H new ATOM 0 HG2 LYS A 115 16.837 23.756 -23.136 1.00 0.68 H new ATOM 0 HG3 LYS A 115 16.655 23.410 -21.427 1.00 0.68 H new ATOM 0 HD2 LYS A 115 17.160 21.340 -22.780 1.00 0.49 H new ATOM 0 HD3 LYS A 115 15.643 21.217 -21.910 1.00 0.49 H new ATOM 0 HE2 LYS A 115 14.341 21.671 -23.898 1.00 1.56 H new ATOM 0 HE3 LYS A 115 15.741 22.245 -24.780 1.00 1.56 H new ATOM 0 HZ1 LYS A 115 15.172 19.980 -25.418 1.00 1.91 H new ATOM 0 HZ2 LYS A 115 16.695 20.008 -24.668 1.00 1.91 H new ATOM 0 HZ3 LYS A 115 15.338 19.452 -23.813 1.00 1.91 H new ATOM 1759 N LEU A 116 13.135 26.890 -21.378 1.00 0.16 N ATOM 1760 CA LEU A 116 11.921 27.706 -21.701 1.00 0.16 C ATOM 1761 C LEU A 116 12.331 28.884 -22.585 1.00 0.16 C ATOM 1762 O LEU A 116 13.330 29.533 -22.348 1.00 0.25 O ATOM 1763 CB LEU A 116 11.286 28.241 -20.411 1.00 0.23 C ATOM 1764 CG LEU A 116 10.729 27.080 -19.576 1.00 1.05 C ATOM 1765 CD1 LEU A 116 10.418 27.581 -18.163 1.00 1.43 C ATOM 1766 CD2 LEU A 116 9.445 26.517 -20.217 1.00 1.70 C ATOM 0 H LEU A 116 13.609 27.147 -20.512 1.00 0.16 H new ATOM 0 HA LEU A 116 11.197 27.080 -22.222 1.00 0.16 H new ATOM 0 HB2 LEU A 116 12.028 28.792 -19.833 1.00 0.23 H new ATOM 0 HB3 LEU A 116 10.487 28.941 -20.653 1.00 0.23 H new ATOM 0 HG LEU A 116 11.474 26.285 -19.535 1.00 1.05 H new ATOM 0 HD11 LEU A 116 10.022 26.760 -17.565 1.00 1.43 H new ATOM 0 HD12 LEU A 116 11.331 27.959 -17.702 1.00 1.43 H new ATOM 0 HD13 LEU A 116 9.680 28.381 -18.215 1.00 1.43 H new ATOM 0 HD21 LEU A 116 9.066 25.695 -19.610 1.00 1.70 H new ATOM 0 HD22 LEU A 116 8.692 27.303 -20.274 1.00 1.70 H new ATOM 0 HD23 LEU A 116 9.668 26.154 -21.220 1.00 1.70 H new ATOM 1778 N THR A 117 11.569 29.167 -23.608 1.00 0.15 N ATOM 1779 CA THR A 117 11.914 30.304 -24.511 1.00 0.17 C ATOM 1780 C THR A 117 11.297 31.596 -23.972 1.00 0.16 C ATOM 1781 O THR A 117 10.223 31.593 -23.406 1.00 0.16 O ATOM 1782 CB THR A 117 11.365 30.030 -25.911 1.00 0.22 C ATOM 1783 OG1 THR A 117 9.957 29.848 -25.840 1.00 0.22 O ATOM 1784 CG2 THR A 117 12.018 28.769 -26.482 1.00 0.26 C ATOM 0 H THR A 117 10.721 28.659 -23.858 1.00 0.15 H new ATOM 0 HA THR A 117 12.998 30.409 -24.556 1.00 0.17 H new ATOM 0 HB THR A 117 11.589 30.876 -26.560 1.00 0.22 H new ATOM 0 HG1 THR A 117 9.760 28.942 -25.522 1.00 0.22 H new ATOM 0 HG21 THR A 117 11.625 28.576 -27.480 1.00 0.26 H new ATOM 0 HG22 THR A 117 13.097 28.912 -26.538 1.00 0.26 H new ATOM 0 HG23 THR A 117 11.798 27.920 -25.835 1.00 0.26 H new ATOM 1792 N ASP A 118 11.969 32.698 -24.151 1.00 0.18 N ATOM 1793 CA ASP A 118 11.426 33.995 -23.658 1.00 0.21 C ATOM 1794 C ASP A 118 10.009 34.200 -24.201 1.00 0.19 C ATOM 1795 O ASP A 118 9.242 34.981 -23.676 1.00 0.20 O ATOM 1796 CB ASP A 118 12.325 35.137 -24.135 1.00 0.28 C ATOM 1797 CG ASP A 118 13.666 35.072 -23.400 1.00 0.50 C ATOM 1798 OD1 ASP A 118 14.550 34.380 -23.880 1.00 0.42 O ATOM 1799 OD2 ASP A 118 13.786 35.714 -22.370 1.00 1.45 O ATOM 0 H ASP A 118 12.874 32.757 -24.619 1.00 0.18 H new ATOM 0 HA ASP A 118 11.397 33.984 -22.568 1.00 0.21 H new ATOM 0 HB2 ASP A 118 12.484 35.064 -25.211 1.00 0.28 H new ATOM 0 HB3 ASP A 118 11.842 36.096 -23.949 1.00 0.28 H new ATOM 1804 N GLU A 119 9.657 33.510 -25.252 1.00 0.17 N ATOM 1805 CA GLU A 119 8.288 33.669 -25.826 1.00 0.15 C ATOM 1806 C GLU A 119 7.285 32.935 -24.919 1.00 0.13 C ATOM 1807 O GLU A 119 6.259 33.472 -24.557 1.00 0.14 O ATOM 1808 CB GLU A 119 8.265 33.142 -27.298 1.00 0.24 C ATOM 1809 CG GLU A 119 7.126 32.150 -27.515 1.00 2.46 C ATOM 1810 CD GLU A 119 7.065 31.747 -28.988 1.00 3.09 C ATOM 1811 OE1 GLU A 119 8.112 31.705 -29.614 1.00 2.39 O ATOM 1812 OE2 GLU A 119 5.974 31.486 -29.467 1.00 4.55 O ATOM 0 H GLU A 119 10.257 32.844 -25.738 1.00 0.17 H new ATOM 0 HA GLU A 119 8.002 34.720 -25.863 1.00 0.15 H new ATOM 0 HB2 GLU A 119 8.155 33.981 -27.985 1.00 0.24 H new ATOM 0 HB3 GLU A 119 9.216 32.663 -27.530 1.00 0.24 H new ATOM 0 HG2 GLU A 119 7.276 31.268 -26.893 1.00 2.46 H new ATOM 0 HG3 GLU A 119 6.179 32.597 -27.211 1.00 2.46 H new ATOM 1819 N GLU A 120 7.575 31.719 -24.548 1.00 0.12 N ATOM 1820 CA GLU A 120 6.633 30.974 -23.665 1.00 0.15 C ATOM 1821 C GLU A 120 6.384 31.796 -22.399 1.00 0.16 C ATOM 1822 O GLU A 120 5.300 31.803 -21.850 1.00 0.17 O ATOM 1823 CB GLU A 120 7.237 29.614 -23.292 1.00 0.19 C ATOM 1824 CG GLU A 120 7.065 28.636 -24.460 1.00 0.22 C ATOM 1825 CD GLU A 120 7.995 27.436 -24.266 1.00 0.29 C ATOM 1826 OE1 GLU A 120 9.118 27.501 -24.739 1.00 0.86 O ATOM 1827 OE2 GLU A 120 7.569 26.473 -23.652 1.00 0.23 O ATOM 0 H GLU A 120 8.418 31.211 -24.816 1.00 0.12 H new ATOM 0 HA GLU A 120 5.691 30.810 -24.187 1.00 0.15 H new ATOM 0 HB2 GLU A 120 8.294 29.728 -23.053 1.00 0.19 H new ATOM 0 HB3 GLU A 120 6.749 29.220 -22.400 1.00 0.19 H new ATOM 0 HG2 GLU A 120 6.029 28.301 -24.517 1.00 0.22 H new ATOM 0 HG3 GLU A 120 7.291 29.136 -25.402 1.00 0.22 H new ATOM 1834 N VAL A 121 7.382 32.494 -21.939 1.00 0.17 N ATOM 1835 CA VAL A 121 7.214 33.325 -20.714 1.00 0.18 C ATOM 1836 C VAL A 121 6.231 34.458 -20.999 1.00 0.26 C ATOM 1837 O VAL A 121 5.316 34.712 -20.240 1.00 0.39 O ATOM 1838 CB VAL A 121 8.567 33.906 -20.311 1.00 0.22 C ATOM 1839 CG1 VAL A 121 8.399 34.759 -19.056 1.00 0.33 C ATOM 1840 CG2 VAL A 121 9.542 32.761 -20.021 1.00 0.38 C ATOM 0 H VAL A 121 8.311 32.526 -22.359 1.00 0.17 H new ATOM 0 HA VAL A 121 6.827 32.709 -19.902 1.00 0.18 H new ATOM 0 HB VAL A 121 8.957 34.523 -21.121 1.00 0.22 H new ATOM 0 HG11 VAL A 121 9.364 35.175 -18.767 1.00 0.33 H new ATOM 0 HG12 VAL A 121 7.700 35.571 -19.259 1.00 0.33 H new ATOM 0 HG13 VAL A 121 8.012 34.141 -18.245 1.00 0.33 H new ATOM 0 HG21 VAL A 121 10.510 33.171 -19.733 1.00 0.38 H new ATOM 0 HG22 VAL A 121 9.152 32.148 -19.209 1.00 0.38 H new ATOM 0 HG23 VAL A 121 9.659 32.148 -20.915 1.00 0.38 H new ATOM 1850 N ASP A 122 6.417 35.138 -22.089 1.00 0.25 N ATOM 1851 CA ASP A 122 5.498 36.261 -22.442 1.00 0.32 C ATOM 1852 C ASP A 122 4.046 35.793 -22.301 1.00 0.31 C ATOM 1853 O ASP A 122 3.172 36.552 -21.938 1.00 0.37 O ATOM 1854 CB ASP A 122 5.755 36.700 -23.884 1.00 0.36 C ATOM 1855 CG ASP A 122 7.119 37.387 -23.976 1.00 0.39 C ATOM 1856 OD1 ASP A 122 7.674 37.701 -22.936 1.00 1.33 O ATOM 1857 OD2 ASP A 122 7.585 37.586 -25.086 1.00 1.08 O ATOM 0 H ASP A 122 7.168 34.968 -22.758 1.00 0.25 H new ATOM 0 HA ASP A 122 5.677 37.101 -21.771 1.00 0.32 H new ATOM 0 HB2 ASP A 122 5.726 35.836 -24.548 1.00 0.36 H new ATOM 0 HB3 ASP A 122 4.970 37.381 -24.213 1.00 0.36 H new ATOM 1862 N GLU A 123 3.788 34.543 -22.578 1.00 0.24 N ATOM 1863 CA GLU A 123 2.400 34.018 -22.448 1.00 0.27 C ATOM 1864 C GLU A 123 2.091 33.899 -20.952 1.00 0.28 C ATOM 1865 O GLU A 123 1.019 34.235 -20.491 1.00 0.33 O ATOM 1866 CB GLU A 123 2.321 32.649 -23.192 1.00 0.21 C ATOM 1867 CG GLU A 123 1.844 31.500 -22.285 1.00 1.39 C ATOM 1868 CD GLU A 123 0.411 31.765 -21.817 1.00 2.24 C ATOM 1869 OE1 GLU A 123 -0.265 32.553 -22.458 1.00 2.39 O ATOM 1870 OE2 GLU A 123 0.014 31.174 -20.826 1.00 3.36 O ATOM 0 H GLU A 123 4.481 33.862 -22.889 1.00 0.24 H new ATOM 0 HA GLU A 123 1.657 34.677 -22.898 1.00 0.27 H new ATOM 0 HB2 GLU A 123 1.643 32.741 -24.040 1.00 0.21 H new ATOM 0 HB3 GLU A 123 3.304 32.403 -23.595 1.00 0.21 H new ATOM 0 HG2 GLU A 123 1.890 30.555 -22.826 1.00 1.39 H new ATOM 0 HG3 GLU A 123 2.506 31.407 -21.424 1.00 1.39 H new ATOM 1877 N MET A 124 3.042 33.432 -20.203 1.00 0.22 N ATOM 1878 CA MET A 124 2.856 33.288 -18.736 1.00 0.22 C ATOM 1879 C MET A 124 2.704 34.680 -18.107 1.00 0.26 C ATOM 1880 O MET A 124 2.037 34.851 -17.105 1.00 0.29 O ATOM 1881 CB MET A 124 4.057 32.561 -18.158 1.00 0.17 C ATOM 1882 CG MET A 124 4.134 31.149 -18.745 1.00 0.14 C ATOM 1883 SD MET A 124 5.532 30.267 -18.004 1.00 0.20 S ATOM 1884 CE MET A 124 5.499 28.789 -19.055 1.00 0.41 C ATOM 0 H MET A 124 3.956 33.139 -20.549 1.00 0.22 H new ATOM 0 HA MET A 124 1.957 32.711 -18.519 1.00 0.22 H new ATOM 0 HB2 MET A 124 4.971 33.110 -18.384 1.00 0.17 H new ATOM 0 HB3 MET A 124 3.976 32.510 -17.072 1.00 0.17 H new ATOM 0 HG2 MET A 124 3.206 30.611 -18.551 1.00 0.14 H new ATOM 0 HG3 MET A 124 4.253 31.199 -19.827 1.00 0.14 H new ATOM 0 HE1 MET A 124 6.297 28.110 -18.753 1.00 0.41 H new ATOM 0 HE2 MET A 124 4.537 28.288 -18.949 1.00 0.41 H new ATOM 0 HE3 MET A 124 5.644 29.079 -20.096 1.00 0.41 H new ATOM 1894 N ILE A 125 3.301 35.677 -18.702 1.00 0.26 N ATOM 1895 CA ILE A 125 3.185 37.069 -18.165 1.00 0.30 C ATOM 1896 C ILE A 125 1.803 37.648 -18.521 1.00 0.36 C ATOM 1897 O ILE A 125 1.287 38.508 -17.836 1.00 0.39 O ATOM 1898 CB ILE A 125 4.296 37.925 -18.797 1.00 0.30 C ATOM 1899 CG1 ILE A 125 5.634 37.562 -18.132 1.00 0.26 C ATOM 1900 CG2 ILE A 125 3.996 39.418 -18.598 1.00 0.35 C ATOM 1901 CD1 ILE A 125 6.789 38.298 -18.813 1.00 0.28 C ATOM 0 H ILE A 125 3.869 35.589 -19.544 1.00 0.26 H new ATOM 0 HA ILE A 125 3.291 37.067 -17.080 1.00 0.30 H new ATOM 0 HB ILE A 125 4.348 37.727 -19.868 1.00 0.30 H new ATOM 0 HG12 ILE A 125 5.603 37.822 -17.074 1.00 0.26 H new ATOM 0 HG13 ILE A 125 5.796 36.486 -18.191 1.00 0.26 H new ATOM 0 HG21 ILE A 125 4.790 40.012 -19.050 1.00 0.35 H new ATOM 0 HG22 ILE A 125 3.045 39.664 -19.070 1.00 0.35 H new ATOM 0 HG23 ILE A 125 3.940 39.639 -17.532 1.00 0.35 H new ATOM 0 HD11 ILE A 125 7.728 38.029 -18.329 1.00 0.28 H new ATOM 0 HD12 ILE A 125 6.830 38.017 -19.865 1.00 0.28 H new ATOM 0 HD13 ILE A 125 6.634 39.374 -18.731 1.00 0.28 H new ATOM 1913 N ARG A 126 1.205 37.193 -19.592 1.00 0.38 N ATOM 1914 CA ARG A 126 -0.132 37.731 -19.992 1.00 0.43 C ATOM 1915 C ARG A 126 -1.164 37.474 -18.882 1.00 0.44 C ATOM 1916 O ARG A 126 -1.859 38.375 -18.458 1.00 0.47 O ATOM 1917 CB ARG A 126 -0.592 37.055 -21.300 1.00 0.47 C ATOM 1918 CG ARG A 126 -0.012 37.796 -22.520 1.00 0.26 C ATOM 1919 CD ARG A 126 -0.563 37.185 -23.828 1.00 0.91 C ATOM 1920 NE ARG A 126 0.546 37.024 -24.823 1.00 1.20 N ATOM 1921 CZ ARG A 126 1.391 37.994 -25.061 1.00 0.95 C ATOM 1922 NH1 ARG A 126 1.215 39.170 -24.523 1.00 0.59 N ATOM 1923 NH2 ARG A 126 2.396 37.793 -25.867 1.00 1.69 N ATOM 0 H ARG A 126 1.584 36.473 -20.207 1.00 0.38 H new ATOM 0 HA ARG A 126 -0.048 38.806 -20.150 1.00 0.43 H new ATOM 0 HB2 ARG A 126 -0.270 36.014 -21.312 1.00 0.47 H new ATOM 0 HB3 ARG A 126 -1.681 37.052 -21.352 1.00 0.47 H new ATOM 0 HG2 ARG A 126 -0.269 38.854 -22.468 1.00 0.26 H new ATOM 0 HG3 ARG A 126 1.076 37.732 -22.510 1.00 0.26 H new ATOM 0 HD2 ARG A 126 -1.022 36.218 -23.623 1.00 0.91 H new ATOM 0 HD3 ARG A 126 -1.342 37.827 -24.239 1.00 0.91 H new ATOM 0 HE ARG A 126 0.644 36.141 -25.324 1.00 1.20 H new ATOM 0 HH11 ARG A 126 0.415 39.337 -23.913 1.00 0.59 H new ATOM 0 HH12 ARG A 126 1.878 39.922 -24.713 1.00 0.59 H new ATOM 0 HH21 ARG A 126 2.521 36.882 -26.309 1.00 1.69 H new ATOM 0 HH22 ARG A 126 3.057 38.546 -26.055 1.00 1.69 H new ATOM 1937 N GLU A 127 -1.293 36.256 -18.417 1.00 0.43 N ATOM 1938 CA GLU A 127 -2.309 35.978 -17.352 1.00 0.46 C ATOM 1939 C GLU A 127 -1.781 36.410 -15.972 1.00 0.42 C ATOM 1940 O GLU A 127 -2.548 36.638 -15.057 1.00 0.43 O ATOM 1941 CB GLU A 127 -2.651 34.476 -17.338 1.00 0.47 C ATOM 1942 CG GLU A 127 -3.602 34.150 -18.494 1.00 0.49 C ATOM 1943 CD GLU A 127 -4.025 32.682 -18.405 1.00 1.09 C ATOM 1944 OE1 GLU A 127 -3.148 31.835 -18.356 1.00 1.76 O ATOM 1945 OE2 GLU A 127 -5.217 32.431 -18.390 1.00 1.44 O ATOM 0 H GLU A 127 -0.747 35.451 -18.723 1.00 0.43 H new ATOM 0 HA GLU A 127 -3.210 36.551 -17.571 1.00 0.46 H new ATOM 0 HB2 GLU A 127 -1.739 33.885 -17.427 1.00 0.47 H new ATOM 0 HB3 GLU A 127 -3.113 34.208 -16.388 1.00 0.47 H new ATOM 0 HG2 GLU A 127 -4.479 34.796 -18.451 1.00 0.49 H new ATOM 0 HG3 GLU A 127 -3.111 34.341 -19.448 1.00 0.49 H new ATOM 1952 N ALA A 128 -0.490 36.570 -15.815 1.00 0.38 N ATOM 1953 CA ALA A 128 0.063 37.034 -14.523 1.00 0.35 C ATOM 1954 C ALA A 128 0.128 38.542 -14.589 1.00 0.35 C ATOM 1955 O ALA A 128 1.177 39.095 -14.811 1.00 0.34 O ATOM 1956 CB ALA A 128 1.474 36.500 -14.305 1.00 0.32 C ATOM 0 H ALA A 128 0.205 36.395 -16.541 1.00 0.38 H new ATOM 0 HA ALA A 128 -0.566 36.681 -13.706 1.00 0.35 H new ATOM 0 HB1 ALA A 128 1.854 36.857 -13.348 1.00 0.32 H new ATOM 0 HB2 ALA A 128 1.454 35.410 -14.304 1.00 0.32 H new ATOM 0 HB3 ALA A 128 2.124 36.850 -15.107 1.00 0.32 H new ATOM 1962 N ASP A 129 -0.985 39.186 -14.432 1.00 0.36 N ATOM 1963 CA ASP A 129 -1.047 40.679 -14.502 1.00 0.37 C ATOM 1964 C ASP A 129 0.190 41.269 -13.818 1.00 0.36 C ATOM 1965 O ASP A 129 0.189 41.616 -12.653 1.00 0.37 O ATOM 1966 CB ASP A 129 -2.325 41.151 -13.797 1.00 0.40 C ATOM 1967 CG ASP A 129 -2.614 40.248 -12.599 1.00 1.59 C ATOM 1968 OD1 ASP A 129 -1.962 40.418 -11.582 1.00 2.64 O ATOM 1969 OD2 ASP A 129 -3.483 39.400 -12.718 1.00 1.96 O ATOM 0 H ASP A 129 -1.882 38.736 -14.253 1.00 0.36 H new ATOM 0 HA ASP A 129 -1.064 41.011 -15.540 1.00 0.37 H new ATOM 0 HB2 ASP A 129 -2.210 42.184 -13.467 1.00 0.40 H new ATOM 0 HB3 ASP A 129 -3.165 41.130 -14.492 1.00 0.40 H new ATOM 1974 N ILE A 130 1.258 41.306 -14.556 1.00 0.36 N ATOM 1975 CA ILE A 130 2.567 41.775 -14.028 1.00 0.36 C ATOM 1976 C ILE A 130 2.643 43.301 -13.998 1.00 0.44 C ATOM 1977 O ILE A 130 3.624 43.890 -13.588 1.00 0.56 O ATOM 1978 CB ILE A 130 3.636 41.170 -14.965 1.00 0.28 C ATOM 1979 CG1 ILE A 130 3.925 39.667 -14.579 1.00 0.22 C ATOM 1980 CG2 ILE A 130 4.904 42.030 -14.976 1.00 0.24 C ATOM 1981 CD1 ILE A 130 5.435 39.372 -14.478 1.00 0.13 C ATOM 0 H ILE A 130 1.280 41.022 -15.535 1.00 0.36 H new ATOM 0 HA ILE A 130 2.719 41.456 -12.997 1.00 0.36 H new ATOM 0 HB ILE A 130 3.251 41.169 -15.985 1.00 0.28 H new ATOM 0 HG12 ILE A 130 3.448 39.440 -13.626 1.00 0.22 H new ATOM 0 HG13 ILE A 130 3.477 39.010 -15.324 1.00 0.22 H new ATOM 0 HG21 ILE A 130 5.641 41.583 -15.643 1.00 0.24 H new ATOM 0 HG22 ILE A 130 4.660 43.033 -15.325 1.00 0.24 H new ATOM 0 HG23 ILE A 130 5.314 42.086 -13.968 1.00 0.24 H new ATOM 0 HD11 ILE A 130 5.584 38.326 -14.210 1.00 0.13 H new ATOM 0 HD12 ILE A 130 5.910 39.572 -15.439 1.00 0.13 H new ATOM 0 HD13 ILE A 130 5.880 40.009 -13.714 1.00 0.13 H new ATOM 2024 N GLY A 134 3.646 46.325 -10.113 1.00 0.60 N ATOM 2025 CA GLY A 134 5.100 46.538 -10.380 1.00 0.35 C ATOM 2026 C GLY A 134 5.891 45.344 -9.846 1.00 0.27 C ATOM 2027 O GLY A 134 6.959 45.028 -10.329 1.00 0.32 O ATOM 0 HA2 GLY A 134 5.272 46.654 -11.450 1.00 0.35 H new ATOM 0 HA3 GLY A 134 5.439 47.457 -9.901 1.00 0.35 H new ATOM 2031 N GLN A 135 5.364 44.680 -8.853 1.00 0.26 N ATOM 2032 CA GLN A 135 6.053 43.489 -8.261 1.00 0.19 C ATOM 2033 C GLN A 135 5.085 42.300 -8.297 1.00 0.19 C ATOM 2034 O GLN A 135 3.883 42.477 -8.273 1.00 0.29 O ATOM 2035 CB GLN A 135 6.428 43.798 -6.807 1.00 0.22 C ATOM 2036 CG GLN A 135 7.024 45.211 -6.716 1.00 0.23 C ATOM 2037 CD GLN A 135 7.830 45.351 -5.420 1.00 0.30 C ATOM 2038 OE1 GLN A 135 8.335 44.378 -4.897 1.00 0.57 O ATOM 2039 NE2 GLN A 135 7.969 46.531 -4.878 1.00 0.96 N ATOM 0 H GLN A 135 4.471 44.914 -8.418 1.00 0.26 H new ATOM 0 HA GLN A 135 6.955 43.253 -8.826 1.00 0.19 H new ATOM 0 HB2 GLN A 135 5.547 43.723 -6.170 1.00 0.22 H new ATOM 0 HB3 GLN A 135 7.148 43.065 -6.443 1.00 0.22 H new ATOM 0 HG2 GLN A 135 7.665 45.401 -7.576 1.00 0.23 H new ATOM 0 HG3 GLN A 135 6.227 45.954 -6.742 1.00 0.23 H new ATOM 0 HE21 GLN A 135 7.545 47.348 -5.318 1.00 0.96 H new ATOM 0 HE22 GLN A 135 8.502 46.636 -4.015 1.00 0.96 H new ATOM 2048 N VAL A 136 5.588 41.094 -8.367 1.00 0.15 N ATOM 2049 CA VAL A 136 4.687 39.906 -8.421 1.00 0.26 C ATOM 2050 C VAL A 136 5.308 38.771 -7.606 1.00 0.35 C ATOM 2051 O VAL A 136 6.514 38.626 -7.544 1.00 0.36 O ATOM 2052 CB VAL A 136 4.563 39.452 -9.882 1.00 0.19 C ATOM 2053 CG1 VAL A 136 3.255 38.684 -10.124 1.00 0.31 C ATOM 2054 CG2 VAL A 136 4.601 40.671 -10.801 1.00 0.13 C ATOM 0 H VAL A 136 6.585 40.882 -8.389 1.00 0.15 H new ATOM 0 HA VAL A 136 3.707 40.161 -8.017 1.00 0.26 H new ATOM 0 HB VAL A 136 5.399 38.786 -10.098 1.00 0.19 H new ATOM 0 HG11 VAL A 136 3.201 38.378 -11.169 1.00 0.31 H new ATOM 0 HG12 VAL A 136 3.228 37.801 -9.485 1.00 0.31 H new ATOM 0 HG13 VAL A 136 2.407 39.327 -9.890 1.00 0.31 H new ATOM 0 HG21 VAL A 136 4.513 40.348 -11.838 1.00 0.13 H new ATOM 0 HG22 VAL A 136 3.773 41.337 -10.557 1.00 0.13 H new ATOM 0 HG23 VAL A 136 5.544 41.200 -10.665 1.00 0.13 H new ATOM 2064 N ASN A 137 4.500 37.940 -7.021 1.00 0.48 N ATOM 2065 CA ASN A 137 5.050 36.788 -6.259 1.00 0.62 C ATOM 2066 C ASN A 137 5.295 35.662 -7.262 1.00 0.55 C ATOM 2067 O ASN A 137 4.985 35.791 -8.429 1.00 0.75 O ATOM 2068 CB ASN A 137 4.059 36.344 -5.179 1.00 0.79 C ATOM 2069 CG ASN A 137 4.485 34.993 -4.600 1.00 1.90 C ATOM 2070 OD1 ASN A 137 3.727 34.044 -4.621 1.00 2.00 O ATOM 2071 ND2 ASN A 137 5.677 34.862 -4.082 1.00 3.01 N ATOM 0 H ASN A 137 3.482 38.007 -7.036 1.00 0.48 H new ATOM 0 HA ASN A 137 5.978 37.061 -5.756 1.00 0.62 H new ATOM 0 HB2 ASN A 137 4.014 37.091 -4.386 1.00 0.79 H new ATOM 0 HB3 ASN A 137 3.057 36.268 -5.602 1.00 0.79 H new ATOM 0 HD21 ASN A 137 5.970 33.964 -3.696 1.00 3.01 H new ATOM 0 HD22 ASN A 137 6.315 35.657 -4.063 1.00 3.01 H new ATOM 2078 N TYR A 138 5.884 34.588 -6.831 1.00 0.60 N ATOM 2079 CA TYR A 138 6.201 33.460 -7.775 1.00 0.55 C ATOM 2080 C TYR A 138 5.209 32.282 -7.632 1.00 0.49 C ATOM 2081 O TYR A 138 5.035 31.530 -8.563 1.00 0.44 O ATOM 2082 CB TYR A 138 7.642 32.978 -7.489 1.00 0.64 C ATOM 2083 CG TYR A 138 7.987 33.270 -6.046 1.00 0.44 C ATOM 2084 CD1 TYR A 138 8.333 34.572 -5.659 1.00 0.84 C ATOM 2085 CD2 TYR A 138 7.934 32.246 -5.092 1.00 1.19 C ATOM 2086 CE1 TYR A 138 8.627 34.846 -4.318 1.00 1.06 C ATOM 2087 CE2 TYR A 138 8.235 32.520 -3.756 1.00 0.96 C ATOM 2088 CZ TYR A 138 8.579 33.820 -3.366 1.00 0.36 C ATOM 2089 OH TYR A 138 8.869 34.091 -2.043 1.00 0.52 O ATOM 0 H TYR A 138 6.165 34.431 -5.863 1.00 0.60 H new ATOM 0 HA TYR A 138 6.111 33.826 -8.798 1.00 0.55 H new ATOM 0 HB2 TYR A 138 7.727 31.909 -7.687 1.00 0.64 H new ATOM 0 HB3 TYR A 138 8.345 33.482 -8.153 1.00 0.64 H new ATOM 0 HD1 TYR A 138 8.373 35.362 -6.394 1.00 0.84 H new ATOM 0 HD2 TYR A 138 7.660 31.244 -5.389 1.00 1.19 H new ATOM 0 HE1 TYR A 138 8.891 35.849 -4.017 1.00 1.06 H new ATOM 0 HE2 TYR A 138 8.202 31.728 -3.023 1.00 0.96 H new ATOM 0 HH TYR A 138 8.788 33.269 -1.515 1.00 0.52 H new ATOM 2099 N GLU A 139 4.585 32.093 -6.488 1.00 0.50 N ATOM 2100 CA GLU A 139 3.645 30.935 -6.318 1.00 0.45 C ATOM 2101 C GLU A 139 2.802 30.711 -7.582 1.00 0.41 C ATOM 2102 O GLU A 139 2.693 29.604 -8.071 1.00 0.41 O ATOM 2103 CB GLU A 139 2.738 31.182 -5.086 1.00 0.43 C ATOM 2104 CG GLU A 139 1.458 31.953 -5.460 1.00 1.62 C ATOM 2105 CD GLU A 139 0.737 32.389 -4.183 1.00 1.83 C ATOM 2106 OE1 GLU A 139 1.140 33.388 -3.609 1.00 1.99 O ATOM 2107 OE2 GLU A 139 -0.207 31.716 -3.800 1.00 2.23 O ATOM 0 H GLU A 139 4.687 32.690 -5.667 1.00 0.50 H new ATOM 0 HA GLU A 139 4.231 30.030 -6.155 1.00 0.45 H new ATOM 0 HB2 GLU A 139 2.468 30.226 -4.637 1.00 0.43 H new ATOM 0 HB3 GLU A 139 3.293 31.743 -4.334 1.00 0.43 H new ATOM 0 HG2 GLU A 139 1.709 32.824 -6.065 1.00 1.62 H new ATOM 0 HG3 GLU A 139 0.804 31.323 -6.063 1.00 1.62 H new ATOM 2114 N GLU A 140 2.215 31.738 -8.119 1.00 0.39 N ATOM 2115 CA GLU A 140 1.395 31.553 -9.351 1.00 0.36 C ATOM 2116 C GLU A 140 2.324 31.238 -10.526 1.00 0.30 C ATOM 2117 O GLU A 140 2.033 30.402 -11.363 1.00 0.28 O ATOM 2118 CB GLU A 140 0.608 32.834 -9.647 1.00 0.35 C ATOM 2119 CG GLU A 140 -0.615 32.911 -8.729 1.00 0.72 C ATOM 2120 CD GLU A 140 -1.367 34.218 -8.989 1.00 0.73 C ATOM 2121 OE1 GLU A 140 -0.748 35.148 -9.483 1.00 1.68 O ATOM 2122 OE2 GLU A 140 -2.547 34.271 -8.688 1.00 1.24 O ATOM 0 H GLU A 140 2.264 32.693 -7.764 1.00 0.39 H new ATOM 0 HA GLU A 140 0.694 30.731 -9.204 1.00 0.36 H new ATOM 0 HB2 GLU A 140 1.244 33.706 -9.496 1.00 0.35 H new ATOM 0 HB3 GLU A 140 0.293 32.846 -10.690 1.00 0.35 H new ATOM 0 HG2 GLU A 140 -1.272 32.060 -8.908 1.00 0.72 H new ATOM 0 HG3 GLU A 140 -0.304 32.860 -7.686 1.00 0.72 H new ATOM 2129 N PHE A 141 3.440 31.907 -10.601 1.00 0.28 N ATOM 2130 CA PHE A 141 4.386 31.660 -11.725 1.00 0.23 C ATOM 2131 C PHE A 141 5.077 30.298 -11.546 1.00 0.23 C ATOM 2132 O PHE A 141 5.600 29.740 -12.490 1.00 0.25 O ATOM 2133 CB PHE A 141 5.436 32.800 -11.769 1.00 0.19 C ATOM 2134 CG PHE A 141 5.266 33.617 -13.031 1.00 0.18 C ATOM 2135 CD1 PHE A 141 5.659 33.079 -14.259 1.00 0.21 C ATOM 2136 CD2 PHE A 141 4.705 34.900 -12.977 1.00 0.19 C ATOM 2137 CE1 PHE A 141 5.497 33.819 -15.430 1.00 0.20 C ATOM 2138 CE2 PHE A 141 4.541 35.642 -14.161 1.00 0.21 C ATOM 2139 CZ PHE A 141 4.939 35.095 -15.379 1.00 0.18 C ATOM 0 H PHE A 141 3.739 32.616 -9.931 1.00 0.28 H new ATOM 0 HA PHE A 141 3.837 31.643 -12.666 1.00 0.23 H new ATOM 0 HB2 PHE A 141 5.325 33.441 -10.894 1.00 0.19 H new ATOM 0 HB3 PHE A 141 6.441 32.380 -11.731 1.00 0.19 H new ATOM 0 HD1 PHE A 141 6.089 32.089 -14.302 1.00 0.21 H new ATOM 0 HD2 PHE A 141 4.399 35.318 -12.029 1.00 0.19 H new ATOM 0 HE1 PHE A 141 5.804 33.403 -16.378 1.00 0.20 H new ATOM 0 HE2 PHE A 141 4.109 36.631 -14.126 1.00 0.21 H new ATOM 0 HZ PHE A 141 4.814 35.663 -16.289 1.00 0.18 H new ATOM 2149 N VAL A 142 5.095 29.758 -10.359 1.00 0.29 N ATOM 2150 CA VAL A 142 5.762 28.440 -10.169 1.00 0.31 C ATOM 2151 C VAL A 142 4.938 27.354 -10.864 1.00 0.38 C ATOM 2152 O VAL A 142 5.455 26.534 -11.593 1.00 0.40 O ATOM 2153 CB VAL A 142 5.868 28.114 -8.671 1.00 0.39 C ATOM 2154 CG1 VAL A 142 6.442 26.699 -8.511 1.00 0.43 C ATOM 2155 CG2 VAL A 142 6.785 29.142 -7.957 1.00 0.37 C ATOM 0 H VAL A 142 4.682 30.167 -9.521 1.00 0.29 H new ATOM 0 HA VAL A 142 6.763 28.480 -10.598 1.00 0.31 H new ATOM 0 HB VAL A 142 4.878 28.166 -8.218 1.00 0.39 H new ATOM 0 HG11 VAL A 142 6.522 26.456 -7.451 1.00 0.43 H new ATOM 0 HG12 VAL A 142 5.782 25.981 -8.999 1.00 0.43 H new ATOM 0 HG13 VAL A 142 7.430 26.653 -8.969 1.00 0.43 H new ATOM 0 HG21 VAL A 142 6.850 28.897 -6.897 1.00 0.37 H new ATOM 0 HG22 VAL A 142 7.781 29.109 -8.398 1.00 0.37 H new ATOM 0 HG23 VAL A 142 6.369 30.143 -8.074 1.00 0.37 H new ATOM 2165 N GLN A 143 3.651 27.344 -10.634 1.00 0.45 N ATOM 2166 CA GLN A 143 2.776 26.315 -11.264 1.00 0.54 C ATOM 2167 C GLN A 143 2.742 26.503 -12.785 1.00 0.51 C ATOM 2168 O GLN A 143 2.528 25.569 -13.529 1.00 0.61 O ATOM 2169 CB GLN A 143 1.356 26.455 -10.710 1.00 0.61 C ATOM 2170 CG GLN A 143 1.325 25.999 -9.251 1.00 0.76 C ATOM 2171 CD GLN A 143 -0.064 26.259 -8.662 1.00 0.56 C ATOM 2172 OE1 GLN A 143 -1.061 25.894 -9.250 1.00 1.21 O ATOM 2173 NE2 GLN A 143 -0.168 26.878 -7.518 1.00 0.39 N ATOM 0 H GLN A 143 3.167 28.010 -10.032 1.00 0.45 H new ATOM 0 HA GLN A 143 3.173 25.326 -11.037 1.00 0.54 H new ATOM 0 HB2 GLN A 143 1.027 27.491 -10.784 1.00 0.61 H new ATOM 0 HB3 GLN A 143 0.663 25.857 -11.303 1.00 0.61 H new ATOM 0 HG2 GLN A 143 1.566 24.938 -9.186 1.00 0.76 H new ATOM 0 HG3 GLN A 143 2.081 26.534 -8.676 1.00 0.76 H new ATOM 0 HE21 GLN A 143 0.671 27.184 -7.026 1.00 0.39 H new ATOM 0 HE22 GLN A 143 -1.089 27.056 -7.116 1.00 0.39 H new ATOM 2182 N MET A 144 2.934 27.708 -13.250 1.00 0.38 N ATOM 2183 CA MET A 144 2.893 27.955 -14.722 1.00 0.37 C ATOM 2184 C MET A 144 4.088 27.278 -15.407 1.00 0.39 C ATOM 2185 O MET A 144 3.961 26.719 -16.479 1.00 0.44 O ATOM 2186 CB MET A 144 2.929 29.471 -14.991 1.00 0.32 C ATOM 2187 CG MET A 144 1.509 30.053 -14.935 1.00 0.35 C ATOM 2188 SD MET A 144 1.596 31.861 -14.965 1.00 0.30 S ATOM 2189 CE MET A 144 -0.023 32.176 -14.223 1.00 0.44 C ATOM 0 H MET A 144 3.117 28.531 -12.676 1.00 0.38 H new ATOM 0 HA MET A 144 1.972 27.536 -15.127 1.00 0.37 H new ATOM 0 HB2 MET A 144 3.561 29.964 -14.253 1.00 0.32 H new ATOM 0 HB3 MET A 144 3.371 29.664 -15.969 1.00 0.32 H new ATOM 0 HG2 MET A 144 0.923 29.692 -15.780 1.00 0.35 H new ATOM 0 HG3 MET A 144 1.002 29.718 -14.030 1.00 0.35 H new ATOM 0 HE1 MET A 144 -0.184 33.251 -14.144 1.00 0.44 H new ATOM 0 HE2 MET A 144 -0.801 31.738 -14.848 1.00 0.44 H new ATOM 0 HE3 MET A 144 -0.061 31.729 -13.230 1.00 0.44 H new ATOM 2199 N MET A 145 5.245 27.327 -14.809 1.00 0.37 N ATOM 2200 CA MET A 145 6.434 26.688 -15.448 1.00 0.39 C ATOM 2201 C MET A 145 6.261 25.168 -15.455 1.00 0.46 C ATOM 2202 O MET A 145 6.849 24.470 -16.257 1.00 0.49 O ATOM 2203 CB MET A 145 7.711 27.061 -14.677 1.00 0.37 C ATOM 2204 CG MET A 145 8.007 28.580 -14.812 1.00 0.28 C ATOM 2205 SD MET A 145 9.753 28.840 -15.235 1.00 0.28 S ATOM 2206 CE MET A 145 10.467 28.377 -13.637 1.00 0.21 C ATOM 0 H MET A 145 5.421 27.778 -13.911 1.00 0.37 H new ATOM 0 HA MET A 145 6.521 27.046 -16.474 1.00 0.39 H new ATOM 0 HB2 MET A 145 7.597 26.799 -13.625 1.00 0.37 H new ATOM 0 HB3 MET A 145 8.554 26.485 -15.059 1.00 0.37 H new ATOM 0 HG2 MET A 145 7.370 29.016 -15.581 1.00 0.28 H new ATOM 0 HG3 MET A 145 7.772 29.089 -13.877 1.00 0.28 H new ATOM 0 HE1 MET A 145 11.382 28.945 -13.469 1.00 0.21 H new ATOM 0 HE2 MET A 145 9.753 28.595 -12.843 1.00 0.21 H new ATOM 0 HE3 MET A 145 10.696 27.311 -13.636 1.00 0.21 H new ATOM 2216 N THR A 146 5.459 24.646 -14.565 1.00 0.48 N ATOM 2217 CA THR A 146 5.242 23.190 -14.501 1.00 0.54 C ATOM 2218 C THR A 146 4.085 22.811 -15.419 1.00 0.39 C ATOM 2219 O THR A 146 3.527 21.736 -15.336 1.00 0.67 O ATOM 2220 CB THR A 146 4.892 22.879 -13.060 1.00 0.62 C ATOM 2221 OG1 THR A 146 4.057 23.907 -12.563 1.00 0.60 O ATOM 2222 CG2 THR A 146 6.170 22.813 -12.234 1.00 0.81 C ATOM 0 H THR A 146 4.941 25.186 -13.872 1.00 0.48 H new ATOM 0 HA THR A 146 6.122 22.632 -14.820 1.00 0.54 H new ATOM 0 HB THR A 146 4.375 21.921 -12.998 1.00 0.62 H new ATOM 0 HG1 THR A 146 3.474 24.231 -13.281 1.00 0.60 H new ATOM 0 HG21 THR A 146 5.922 22.589 -11.197 1.00 0.81 H new ATOM 0 HG22 THR A 146 6.818 22.031 -12.629 1.00 0.81 H new ATOM 0 HG23 THR A 146 6.686 23.772 -12.285 1.00 0.81 H new