USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=23 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=-0.00517 K(o=-0.0052,f=-0.84) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -78:sc= 0.573 USER MOD Single : A 21 LYS NZ :NH3+ -146:sc= -0.118 (180deg=-0.763) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0682 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00142 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -76:sc= 0.686 USER MOD Single : A 41 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.22) USER MOD Single : A 42 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 49 GLN : amide:sc= -0.334 X(o=-0.33,f=0) 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 155:sc= -0.159 (180deg=-1.3) USER MOD Single : A 72 MET CE :methyl -159:sc= 0 (180deg=-0.708) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -76:sc= 0.866 USER MOD Single : A 107 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.19) USER MOD Single : A 109 MET CE :methyl 174:sc= -2.83 (180deg=-2.98) USER MOD Single : A 110 THR OG1 : rot 180:sc= -2.2! USER MOD Single : A 111 ASN : amide:sc= -0.837 K(o=-0.84,f=-0.06) USER MOD Single : A 115 LYS NZ :NH3+ -128:sc= -1.12 (180deg=-3.04!) USER MOD Single : A 117 THR OG1 : rot -69:sc= 0.447 USER MOD Single : A 124 MET CE :methyl -167:sc= 0 (180deg=-0.13) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -5.2! C(o=-5.2!,f=-17!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.7!) USER MOD Single : A 144 MET CE :methyl -106:sc= -0.0627 (180deg=-0.364) USER MOD Single : A 145 MET CE :methyl -155:sc= -2.05 (180deg=-4.33) USER MOD Single : A 146 THR OG1 : rot 94:sc= -0.641 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 13.793 2.175 -2.952 1.00 0.43 N ATOM 106 CA GLN A 8 12.467 2.472 -2.342 1.00 0.44 C ATOM 107 C GLN A 8 11.425 1.500 -2.899 1.00 0.39 C ATOM 108 O GLN A 8 10.546 1.048 -2.192 1.00 0.36 O ATOM 109 CB GLN A 8 12.061 3.914 -2.670 1.00 0.53 C ATOM 110 CG GLN A 8 12.835 4.883 -1.772 1.00 0.64 C ATOM 111 CD GLN A 8 12.629 6.316 -2.270 1.00 0.69 C ATOM 112 OE1 GLN A 8 12.653 6.568 -3.457 1.00 0.61 O ATOM 113 NE2 GLN A 8 12.428 7.271 -1.404 1.00 1.01 N ATOM 0 HA GLN A 8 12.528 2.356 -1.260 1.00 0.44 H new ATOM 0 HB2 GLN A 8 12.267 4.131 -3.718 1.00 0.53 H new ATOM 0 HB3 GLN A 8 10.989 4.043 -2.522 1.00 0.53 H new ATOM 0 HG2 GLN A 8 12.493 4.792 -0.741 1.00 0.64 H new ATOM 0 HG3 GLN A 8 13.896 4.633 -1.779 1.00 0.64 H new ATOM 0 HE21 GLN A 8 12.408 7.059 -0.406 1.00 1.01 H new ATOM 0 HE22 GLN A 8 12.291 8.230 -1.725 1.00 1.01 H new ATOM 122 N ILE A 9 11.516 1.166 -4.159 1.00 0.38 N ATOM 123 CA ILE A 9 10.531 0.216 -4.741 1.00 0.34 C ATOM 124 C ILE A 9 10.740 -1.160 -4.110 1.00 0.29 C ATOM 125 O ILE A 9 9.803 -1.906 -3.896 1.00 0.23 O ATOM 126 CB ILE A 9 10.732 0.129 -6.258 1.00 0.37 C ATOM 127 CG1 ILE A 9 10.324 1.462 -6.894 1.00 0.43 C ATOM 128 CG2 ILE A 9 9.864 -0.998 -6.832 1.00 0.31 C ATOM 129 CD1 ILE A 9 10.712 1.468 -8.372 1.00 0.47 C ATOM 0 H ILE A 9 12.227 1.509 -4.805 1.00 0.38 H new ATOM 0 HA ILE A 9 9.518 0.563 -4.539 1.00 0.34 H new ATOM 0 HB ILE A 9 11.779 -0.080 -6.476 1.00 0.37 H new ATOM 0 HG12 ILE A 9 9.249 1.612 -6.790 1.00 0.43 H new ATOM 0 HG13 ILE A 9 10.813 2.288 -6.376 1.00 0.43 H new ATOM 0 HG21 ILE A 9 10.010 -1.056 -7.911 1.00 0.31 H new ATOM 0 HG22 ILE A 9 10.150 -1.946 -6.375 1.00 0.31 H new ATOM 0 HG23 ILE A 9 8.815 -0.794 -6.618 1.00 0.31 H new ATOM 0 HD11 ILE A 9 10.420 2.417 -8.821 1.00 0.47 H new ATOM 0 HD12 ILE A 9 11.790 1.338 -8.466 1.00 0.47 H new ATOM 0 HD13 ILE A 9 10.203 0.652 -8.885 1.00 0.47 H new ATOM 141 N ALA A 10 11.961 -1.503 -3.800 1.00 0.32 N ATOM 142 CA ALA A 10 12.221 -2.826 -3.175 1.00 0.28 C ATOM 143 C ALA A 10 11.686 -2.812 -1.735 1.00 0.30 C ATOM 144 O ALA A 10 10.973 -3.702 -1.329 1.00 0.39 O ATOM 145 CB ALA A 10 13.735 -3.121 -3.198 1.00 0.34 C ATOM 0 H ALA A 10 12.787 -0.924 -3.953 1.00 0.32 H new ATOM 0 HA ALA A 10 11.712 -3.612 -3.732 1.00 0.28 H new ATOM 0 HB1 ALA A 10 13.924 -4.092 -2.739 1.00 0.34 H new ATOM 0 HB2 ALA A 10 14.088 -3.132 -4.229 1.00 0.34 H new ATOM 0 HB3 ALA A 10 14.265 -2.348 -2.642 1.00 0.34 H new ATOM 151 N GLU A 11 12.011 -1.801 -0.965 1.00 0.33 N ATOM 152 CA GLU A 11 11.510 -1.743 0.436 1.00 0.35 C ATOM 153 C GLU A 11 9.992 -1.934 0.438 1.00 0.27 C ATOM 154 O GLU A 11 9.428 -2.511 1.348 1.00 0.43 O ATOM 155 CB GLU A 11 11.885 -0.365 1.043 1.00 0.43 C ATOM 156 CG GLU A 11 12.724 -0.546 2.309 1.00 0.89 C ATOM 157 CD GLU A 11 13.055 0.823 2.905 1.00 0.76 C ATOM 158 OE1 GLU A 11 12.824 1.813 2.229 1.00 0.65 O ATOM 159 OE2 GLU A 11 13.533 0.859 4.026 1.00 1.69 O ATOM 0 H GLU A 11 12.600 -1.018 -1.249 1.00 0.33 H new ATOM 0 HA GLU A 11 11.962 -2.534 1.035 1.00 0.35 H new ATOM 0 HB2 GLU A 11 12.442 0.221 0.312 1.00 0.43 H new ATOM 0 HB3 GLU A 11 10.979 0.194 1.277 1.00 0.43 H new ATOM 0 HG2 GLU A 11 12.179 -1.148 3.036 1.00 0.89 H new ATOM 0 HG3 GLU A 11 13.643 -1.084 2.075 1.00 0.89 H new ATOM 166 N PHE A 12 9.330 -1.458 -0.573 1.00 0.19 N ATOM 167 CA PHE A 12 7.852 -1.617 -0.630 1.00 0.16 C ATOM 168 C PHE A 12 7.525 -3.061 -1.000 1.00 0.17 C ATOM 169 O PHE A 12 6.570 -3.635 -0.516 1.00 0.16 O ATOM 170 CB PHE A 12 7.272 -0.677 -1.692 1.00 0.21 C ATOM 171 CG PHE A 12 7.522 0.801 -1.378 1.00 0.23 C ATOM 172 CD1 PHE A 12 8.154 1.238 -0.186 1.00 0.31 C ATOM 173 CD2 PHE A 12 7.091 1.756 -2.314 1.00 0.66 C ATOM 174 CE1 PHE A 12 8.340 2.608 0.041 1.00 0.39 C ATOM 175 CE2 PHE A 12 7.283 3.119 -2.077 1.00 0.86 C ATOM 176 CZ PHE A 12 7.905 3.546 -0.903 1.00 0.64 C ATOM 0 H PHE A 12 9.746 -0.965 -1.363 1.00 0.19 H new ATOM 0 HA PHE A 12 7.419 -1.373 0.340 1.00 0.16 H new ATOM 0 HB2 PHE A 12 7.710 -0.917 -2.661 1.00 0.21 H new ATOM 0 HB3 PHE A 12 6.199 -0.849 -1.776 1.00 0.21 H new ATOM 0 HD1 PHE A 12 8.491 0.517 0.544 1.00 0.31 H new ATOM 0 HD2 PHE A 12 6.607 1.434 -3.224 1.00 0.66 H new ATOM 0 HE1 PHE A 12 8.821 2.942 0.948 1.00 0.39 H new ATOM 0 HE2 PHE A 12 6.949 3.844 -2.804 1.00 0.86 H new ATOM 0 HZ PHE A 12 8.051 4.601 -0.723 1.00 0.64 H new ATOM 186 N LYS A 13 8.309 -3.659 -1.852 1.00 0.19 N ATOM 187 CA LYS A 13 8.037 -5.068 -2.244 1.00 0.22 C ATOM 188 C LYS A 13 8.201 -5.975 -1.025 1.00 0.19 C ATOM 189 O LYS A 13 7.397 -6.854 -0.786 1.00 0.21 O ATOM 190 CB LYS A 13 9.007 -5.496 -3.352 1.00 0.23 C ATOM 191 CG LYS A 13 8.687 -6.939 -3.805 1.00 0.24 C ATOM 192 CD LYS A 13 9.080 -7.135 -5.283 1.00 0.21 C ATOM 193 CE LYS A 13 7.945 -6.665 -6.201 1.00 0.16 C ATOM 194 NZ LYS A 13 8.302 -6.958 -7.618 1.00 0.69 N ATOM 0 H LYS A 13 9.125 -3.234 -2.293 1.00 0.19 H new ATOM 0 HA LYS A 13 7.017 -5.150 -2.618 1.00 0.22 H new ATOM 0 HB2 LYS A 13 8.929 -4.814 -4.199 1.00 0.23 H new ATOM 0 HB3 LYS A 13 10.034 -5.439 -2.990 1.00 0.23 H new ATOM 0 HG2 LYS A 13 9.226 -7.651 -3.181 1.00 0.24 H new ATOM 0 HG3 LYS A 13 7.624 -7.141 -3.674 1.00 0.24 H new ATOM 0 HD2 LYS A 13 9.990 -6.576 -5.502 1.00 0.21 H new ATOM 0 HD3 LYS A 13 9.299 -8.186 -5.472 1.00 0.21 H new ATOM 0 HE2 LYS A 13 7.016 -7.170 -5.937 1.00 0.16 H new ATOM 0 HE3 LYS A 13 7.776 -5.596 -6.070 1.00 0.16 H new ATOM 0 HZ1 LYS A 13 7.534 -6.640 -8.242 1.00 0.69 H new ATOM 0 HZ2 LYS A 13 9.179 -6.457 -7.866 1.00 0.69 H new ATOM 0 HZ3 LYS A 13 8.443 -7.982 -7.736 1.00 0.69 H new ATOM 208 N GLU A 14 9.227 -5.771 -0.235 1.00 0.16 N ATOM 209 CA GLU A 14 9.398 -6.636 0.970 1.00 0.15 C ATOM 210 C GLU A 14 8.222 -6.402 1.911 1.00 0.15 C ATOM 211 O GLU A 14 7.634 -7.325 2.439 1.00 0.19 O ATOM 212 CB GLU A 14 10.703 -6.296 1.702 1.00 0.14 C ATOM 213 CG GLU A 14 11.844 -6.132 0.692 1.00 0.12 C ATOM 214 CD GLU A 14 13.191 -6.307 1.394 1.00 0.74 C ATOM 215 OE1 GLU A 14 13.525 -5.462 2.210 1.00 1.92 O ATOM 216 OE2 GLU A 14 13.868 -7.279 1.105 1.00 0.57 O ATOM 0 H GLU A 14 9.941 -5.055 -0.370 1.00 0.16 H new ATOM 0 HA GLU A 14 9.437 -7.679 0.656 1.00 0.15 H new ATOM 0 HB2 GLU A 14 10.579 -5.377 2.275 1.00 0.14 H new ATOM 0 HB3 GLU A 14 10.947 -7.085 2.413 1.00 0.14 H new ATOM 0 HG2 GLU A 14 11.742 -6.867 -0.107 1.00 0.12 H new ATOM 0 HG3 GLU A 14 11.791 -5.147 0.228 1.00 0.12 H new ATOM 223 N ALA A 15 7.875 -5.165 2.122 1.00 0.14 N ATOM 224 CA ALA A 15 6.735 -4.859 3.028 1.00 0.15 C ATOM 225 C ALA A 15 5.439 -5.384 2.409 1.00 0.15 C ATOM 226 O ALA A 15 4.492 -5.699 3.101 1.00 0.15 O ATOM 227 CB ALA A 15 6.630 -3.347 3.233 1.00 0.17 C ATOM 0 H ALA A 15 8.331 -4.353 1.707 1.00 0.14 H new ATOM 0 HA ALA A 15 6.899 -5.341 3.992 1.00 0.15 H new ATOM 0 HB1 ALA A 15 5.794 -3.127 3.897 1.00 0.17 H new ATOM 0 HB2 ALA A 15 7.553 -2.975 3.677 1.00 0.17 H new ATOM 0 HB3 ALA A 15 6.468 -2.860 2.272 1.00 0.17 H new ATOM 233 N PHE A 16 5.388 -5.475 1.111 1.00 0.18 N ATOM 234 CA PHE A 16 4.154 -5.977 0.447 1.00 0.21 C ATOM 235 C PHE A 16 4.071 -7.500 0.577 1.00 0.21 C ATOM 236 O PHE A 16 3.042 -8.050 0.915 1.00 0.23 O ATOM 237 CB PHE A 16 4.193 -5.597 -1.035 1.00 0.26 C ATOM 238 CG PHE A 16 2.822 -5.764 -1.638 1.00 0.24 C ATOM 239 CD1 PHE A 16 1.889 -4.723 -1.543 1.00 0.23 C ATOM 240 CD2 PHE A 16 2.485 -6.952 -2.297 1.00 0.24 C ATOM 241 CE1 PHE A 16 0.620 -4.870 -2.109 1.00 0.22 C ATOM 242 CE2 PHE A 16 1.216 -7.098 -2.866 1.00 0.22 C ATOM 243 CZ PHE A 16 0.284 -6.056 -2.770 1.00 0.21 C ATOM 0 H PHE A 16 6.149 -5.223 0.480 1.00 0.18 H new ATOM 0 HA PHE A 16 3.281 -5.531 0.924 1.00 0.21 H new ATOM 0 HB2 PHE A 16 4.527 -4.566 -1.147 1.00 0.26 H new ATOM 0 HB3 PHE A 16 4.912 -6.224 -1.562 1.00 0.26 H new ATOM 0 HD1 PHE A 16 2.150 -3.808 -1.033 1.00 0.23 H new ATOM 0 HD2 PHE A 16 3.204 -7.755 -2.366 1.00 0.24 H new ATOM 0 HE1 PHE A 16 -0.101 -4.069 -2.036 1.00 0.22 H new ATOM 0 HE2 PHE A 16 0.955 -8.012 -3.378 1.00 0.22 H new ATOM 0 HZ PHE A 16 -0.697 -6.169 -3.208 1.00 0.21 H new ATOM 253 N SER A 17 5.146 -8.180 0.299 1.00 0.20 N ATOM 254 CA SER A 17 5.140 -9.670 0.388 1.00 0.21 C ATOM 255 C SER A 17 4.913 -10.114 1.837 1.00 0.18 C ATOM 256 O SER A 17 4.341 -11.154 2.089 1.00 0.19 O ATOM 257 CB SER A 17 6.485 -10.203 -0.106 1.00 0.22 C ATOM 258 OG SER A 17 7.530 -9.398 0.422 1.00 0.78 O ATOM 0 H SER A 17 6.034 -7.768 0.012 1.00 0.20 H new ATOM 0 HA SER A 17 4.333 -10.065 -0.229 1.00 0.21 H new ATOM 0 HB2 SER A 17 6.615 -11.239 0.206 1.00 0.22 H new ATOM 0 HB3 SER A 17 6.516 -10.191 -1.195 1.00 0.22 H new ATOM 0 HG SER A 17 7.590 -8.563 -0.088 1.00 0.78 H new ATOM 264 N LEU A 18 5.367 -9.345 2.788 1.00 0.17 N ATOM 265 CA LEU A 18 5.184 -9.744 4.214 1.00 0.15 C ATOM 266 C LEU A 18 3.704 -10.056 4.483 1.00 0.12 C ATOM 267 O LEU A 18 3.376 -10.723 5.445 1.00 0.14 O ATOM 268 CB LEU A 18 5.644 -8.596 5.140 1.00 0.14 C ATOM 269 CG LEU A 18 7.150 -8.709 5.460 1.00 0.15 C ATOM 270 CD1 LEU A 18 7.587 -7.486 6.285 1.00 0.17 C ATOM 271 CD2 LEU A 18 7.440 -10.001 6.263 1.00 0.16 C ATOM 0 H LEU A 18 5.855 -8.461 2.642 1.00 0.17 H new ATOM 0 HA LEU A 18 5.782 -10.633 4.414 1.00 0.15 H new ATOM 0 HB2 LEU A 18 5.441 -7.637 4.663 1.00 0.14 H new ATOM 0 HB3 LEU A 18 5.070 -8.619 6.066 1.00 0.14 H new ATOM 0 HG LEU A 18 7.707 -8.746 4.524 1.00 0.15 H new ATOM 0 HD11 LEU A 18 8.650 -7.562 6.513 1.00 0.17 H new ATOM 0 HD12 LEU A 18 7.403 -6.577 5.713 1.00 0.17 H new ATOM 0 HD13 LEU A 18 7.018 -7.452 7.214 1.00 0.17 H new ATOM 0 HD21 LEU A 18 8.507 -10.063 6.479 1.00 0.16 H new ATOM 0 HD22 LEU A 18 6.881 -9.981 7.198 1.00 0.16 H new ATOM 0 HD23 LEU A 18 7.137 -10.869 5.677 1.00 0.16 H new ATOM 283 N PHE A 19 2.812 -9.564 3.658 1.00 0.11 N ATOM 284 CA PHE A 19 1.346 -9.812 3.880 1.00 0.08 C ATOM 285 C PHE A 19 0.709 -10.422 2.628 1.00 0.07 C ATOM 286 O PHE A 19 -0.488 -10.330 2.428 1.00 0.07 O ATOM 287 CB PHE A 19 0.669 -8.484 4.204 1.00 0.06 C ATOM 288 CG PHE A 19 1.328 -7.897 5.425 1.00 0.07 C ATOM 289 CD1 PHE A 19 2.514 -7.169 5.295 1.00 0.08 C ATOM 290 CD2 PHE A 19 0.760 -8.090 6.688 1.00 0.08 C ATOM 291 CE1 PHE A 19 3.136 -6.632 6.429 1.00 0.09 C ATOM 292 CE2 PHE A 19 1.378 -7.555 7.823 1.00 0.09 C ATOM 293 CZ PHE A 19 2.567 -6.826 7.694 1.00 0.10 C ATOM 0 H PHE A 19 3.033 -9.000 2.838 1.00 0.11 H new ATOM 0 HA PHE A 19 1.219 -10.511 4.706 1.00 0.08 H new ATOM 0 HB2 PHE A 19 0.756 -7.799 3.361 1.00 0.06 H new ATOM 0 HB3 PHE A 19 -0.395 -8.635 4.384 1.00 0.06 H new ATOM 0 HD1 PHE A 19 2.951 -7.020 4.319 1.00 0.08 H new ATOM 0 HD2 PHE A 19 -0.157 -8.653 6.787 1.00 0.08 H new ATOM 0 HE1 PHE A 19 4.052 -6.070 6.328 1.00 0.09 H new ATOM 0 HE2 PHE A 19 0.939 -7.704 8.798 1.00 0.09 H new ATOM 0 HZ PHE A 19 3.045 -6.413 8.570 1.00 0.10 H new ATOM 303 N ASP A 20 1.488 -11.063 1.796 1.00 0.11 N ATOM 304 CA ASP A 20 0.922 -11.702 0.566 1.00 0.10 C ATOM 305 C ASP A 20 0.749 -13.201 0.841 1.00 0.18 C ATOM 306 O ASP A 20 1.467 -14.029 0.315 1.00 0.23 O ATOM 307 CB ASP A 20 1.886 -11.508 -0.605 1.00 0.12 C ATOM 308 CG ASP A 20 1.305 -12.169 -1.854 1.00 0.10 C ATOM 309 OD1 ASP A 20 0.091 -12.191 -1.978 1.00 1.18 O ATOM 310 OD2 ASP A 20 2.082 -12.643 -2.669 1.00 1.01 O ATOM 0 H ASP A 20 2.495 -11.173 1.914 1.00 0.11 H new ATOM 0 HA ASP A 20 -0.037 -11.249 0.314 1.00 0.10 H new ATOM 0 HB2 ASP A 20 2.049 -10.445 -0.785 1.00 0.12 H new ATOM 0 HB3 ASP A 20 2.857 -11.943 -0.368 1.00 0.12 H new ATOM 315 N LYS A 21 -0.179 -13.547 1.692 1.00 0.22 N ATOM 316 CA LYS A 21 -0.390 -14.984 2.051 1.00 0.31 C ATOM 317 C LYS A 21 -1.151 -15.717 0.948 1.00 0.38 C ATOM 318 O LYS A 21 -1.473 -16.882 1.073 1.00 0.52 O ATOM 319 CB LYS A 21 -1.204 -15.058 3.339 1.00 0.33 C ATOM 320 CG LYS A 21 -0.510 -14.263 4.457 1.00 0.32 C ATOM 321 CD LYS A 21 0.606 -15.102 5.091 1.00 0.37 C ATOM 322 CE LYS A 21 1.203 -14.339 6.273 1.00 0.32 C ATOM 323 NZ LYS A 21 1.595 -12.970 5.834 1.00 2.13 N ATOM 0 H LYS A 21 -0.806 -12.892 2.159 1.00 0.22 H new ATOM 0 HA LYS A 21 0.584 -15.456 2.180 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -2.204 -14.660 3.168 1.00 0.33 H new ATOM 0 HB3 LYS A 21 -1.322 -16.098 3.643 1.00 0.33 H new ATOM 0 HG2 LYS A 21 -0.095 -13.340 4.053 1.00 0.32 H new ATOM 0 HG3 LYS A 21 -1.238 -13.980 5.217 1.00 0.32 H new ATOM 0 HD2 LYS A 21 0.210 -16.061 5.425 1.00 0.37 H new ATOM 0 HD3 LYS A 21 1.380 -15.316 4.353 1.00 0.37 H new ATOM 0 HE2 LYS A 21 0.478 -14.278 7.084 1.00 0.32 H new ATOM 0 HE3 LYS A 21 2.072 -14.871 6.661 1.00 0.32 H new ATOM 0 HZ1 LYS A 21 2.446 -12.670 6.351 1.00 2.13 H new ATOM 0 HZ2 LYS A 21 1.794 -12.976 4.813 1.00 2.13 H new ATOM 0 HZ3 LYS A 21 0.819 -12.307 6.031 1.00 2.13 H new ATOM 337 N ASP A 22 -1.444 -15.045 -0.119 1.00 0.30 N ATOM 338 CA ASP A 22 -2.198 -15.689 -1.242 1.00 0.36 C ATOM 339 C ASP A 22 -1.223 -16.109 -2.348 1.00 0.36 C ATOM 340 O ASP A 22 -1.622 -16.614 -3.378 1.00 0.40 O ATOM 341 CB ASP A 22 -3.208 -14.686 -1.810 1.00 0.32 C ATOM 342 CG ASP A 22 -3.888 -13.940 -0.660 1.00 0.67 C ATOM 343 OD1 ASP A 22 -3.202 -13.198 0.025 1.00 1.64 O ATOM 344 OD2 ASP A 22 -5.081 -14.122 -0.485 1.00 1.11 O ATOM 0 H ASP A 22 -1.196 -14.068 -0.273 1.00 0.30 H new ATOM 0 HA ASP A 22 -2.720 -16.570 -0.870 1.00 0.36 H new ATOM 0 HB2 ASP A 22 -2.703 -13.979 -2.468 1.00 0.32 H new ATOM 0 HB3 ASP A 22 -3.954 -15.206 -2.412 1.00 0.32 H new ATOM 349 N GLY A 23 0.052 -15.907 -2.144 1.00 0.37 N ATOM 350 CA GLY A 23 1.046 -16.298 -3.185 1.00 0.46 C ATOM 351 C GLY A 23 0.602 -15.739 -4.535 1.00 0.39 C ATOM 352 O GLY A 23 1.101 -16.122 -5.573 1.00 0.39 O ATOM 0 H GLY A 23 0.447 -15.488 -1.302 1.00 0.37 H new ATOM 0 HA2 GLY A 23 2.033 -15.915 -2.925 1.00 0.46 H new ATOM 0 HA3 GLY A 23 1.129 -17.384 -3.237 1.00 0.46 H new ATOM 356 N ASP A 24 -0.340 -14.834 -4.521 1.00 0.35 N ATOM 357 CA ASP A 24 -0.838 -14.237 -5.799 1.00 0.29 C ATOM 358 C ASP A 24 -0.186 -12.870 -6.012 1.00 0.28 C ATOM 359 O ASP A 24 -0.434 -12.204 -6.999 1.00 0.28 O ATOM 360 CB ASP A 24 -2.357 -14.065 -5.719 1.00 0.28 C ATOM 361 CG ASP A 24 -2.900 -13.639 -7.084 1.00 0.19 C ATOM 362 OD1 ASP A 24 -2.903 -12.449 -7.355 1.00 0.96 O ATOM 363 OD2 ASP A 24 -3.302 -14.512 -7.839 1.00 1.14 O ATOM 0 H ASP A 24 -0.789 -14.480 -3.677 1.00 0.35 H new ATOM 0 HA ASP A 24 -0.585 -14.895 -6.631 1.00 0.29 H new ATOM 0 HB2 ASP A 24 -2.823 -15.000 -5.407 1.00 0.28 H new ATOM 0 HB3 ASP A 24 -2.609 -13.317 -4.967 1.00 0.28 H new ATOM 368 N GLY A 25 0.644 -12.442 -5.100 1.00 0.31 N ATOM 369 CA GLY A 25 1.302 -11.116 -5.265 1.00 0.31 C ATOM 370 C GLY A 25 0.298 -10.004 -4.931 1.00 0.28 C ATOM 371 O GLY A 25 0.358 -8.924 -5.484 1.00 0.28 O ATOM 0 H GLY A 25 0.894 -12.951 -4.252 1.00 0.31 H new ATOM 0 HA2 GLY A 25 2.171 -11.045 -4.611 1.00 0.31 H new ATOM 0 HA3 GLY A 25 1.662 -11.001 -6.287 1.00 0.31 H new ATOM 375 N THR A 26 -0.634 -10.256 -4.034 1.00 0.24 N ATOM 376 CA THR A 26 -1.642 -9.212 -3.676 1.00 0.21 C ATOM 377 C THR A 26 -1.890 -9.230 -2.164 1.00 0.18 C ATOM 378 O THR A 26 -1.480 -10.138 -1.468 1.00 0.16 O ATOM 379 CB THR A 26 -2.956 -9.502 -4.406 1.00 0.21 C ATOM 380 OG1 THR A 26 -3.486 -10.740 -3.949 1.00 0.22 O ATOM 381 CG2 THR A 26 -2.702 -9.577 -5.913 1.00 0.21 C ATOM 0 H THR A 26 -0.735 -11.141 -3.538 1.00 0.24 H new ATOM 0 HA THR A 26 -1.265 -8.232 -3.970 1.00 0.21 H new ATOM 0 HB THR A 26 -3.669 -8.703 -4.202 1.00 0.21 H new ATOM 0 HG1 THR A 26 -4.328 -10.927 -4.414 1.00 0.22 H new ATOM 0 HG21 THR A 26 -3.639 -9.784 -6.430 1.00 0.21 H new ATOM 0 HG22 THR A 26 -2.297 -8.627 -6.261 1.00 0.21 H new ATOM 0 HG23 THR A 26 -1.989 -10.374 -6.123 1.00 0.21 H new ATOM 389 N ILE A 27 -2.572 -8.235 -1.657 1.00 0.17 N ATOM 390 CA ILE A 27 -2.872 -8.180 -0.192 1.00 0.14 C ATOM 391 C ILE A 27 -4.303 -7.670 -0.009 1.00 0.15 C ATOM 392 O ILE A 27 -4.918 -7.192 -0.944 1.00 0.24 O ATOM 393 CB ILE A 27 -1.889 -7.230 0.510 1.00 0.12 C ATOM 394 CG1 ILE A 27 -2.001 -5.819 -0.090 1.00 0.13 C ATOM 395 CG2 ILE A 27 -0.458 -7.748 0.327 1.00 0.11 C ATOM 396 CD1 ILE A 27 -1.094 -4.858 0.681 1.00 0.12 C ATOM 0 H ILE A 27 -2.937 -7.452 -2.199 1.00 0.17 H new ATOM 0 HA ILE A 27 -2.769 -9.173 0.245 1.00 0.14 H new ATOM 0 HB ILE A 27 -2.132 -7.188 1.572 1.00 0.12 H new ATOM 0 HG12 ILE A 27 -1.717 -5.837 -1.142 1.00 0.13 H new ATOM 0 HG13 ILE A 27 -3.034 -5.475 -0.044 1.00 0.13 H new ATOM 0 HG21 ILE A 27 0.239 -7.074 0.825 1.00 0.11 H new ATOM 0 HG22 ILE A 27 -0.373 -8.744 0.762 1.00 0.11 H new ATOM 0 HG23 ILE A 27 -0.221 -7.795 -0.736 1.00 0.11 H new ATOM 0 HD11 ILE A 27 -1.176 -3.859 0.253 1.00 0.12 H new ATOM 0 HD12 ILE A 27 -1.398 -4.831 1.727 1.00 0.12 H new ATOM 0 HD13 ILE A 27 -0.061 -5.199 0.612 1.00 0.12 H new ATOM 408 N THR A 28 -4.847 -7.762 1.174 1.00 0.08 N ATOM 409 CA THR A 28 -6.240 -7.276 1.391 1.00 0.09 C ATOM 410 C THR A 28 -6.220 -5.832 1.881 1.00 0.07 C ATOM 411 O THR A 28 -5.213 -5.327 2.332 1.00 0.07 O ATOM 412 CB THR A 28 -6.926 -8.135 2.447 1.00 0.10 C ATOM 413 OG1 THR A 28 -6.612 -7.634 3.740 1.00 0.07 O ATOM 414 CG2 THR A 28 -6.441 -9.575 2.327 1.00 0.11 C ATOM 0 H THR A 28 -4.389 -8.152 1.998 1.00 0.08 H new ATOM 0 HA THR A 28 -6.781 -7.338 0.447 1.00 0.09 H new ATOM 0 HB THR A 28 -8.005 -8.104 2.297 1.00 0.10 H new ATOM 0 HG1 THR A 28 -6.917 -8.270 4.420 1.00 0.07 H new ATOM 0 HG21 THR A 28 -6.932 -10.188 3.082 1.00 0.11 H new ATOM 0 HG22 THR A 28 -6.682 -9.959 1.336 1.00 0.11 H new ATOM 0 HG23 THR A 28 -5.362 -9.609 2.477 1.00 0.11 H new ATOM 422 N THR A 29 -7.340 -5.169 1.807 1.00 0.08 N ATOM 423 CA THR A 29 -7.407 -3.764 2.281 1.00 0.10 C ATOM 424 C THR A 29 -7.261 -3.741 3.808 1.00 0.09 C ATOM 425 O THR A 29 -6.822 -2.767 4.385 1.00 0.14 O ATOM 426 CB THR A 29 -8.766 -3.173 1.883 1.00 0.15 C ATOM 427 OG1 THR A 29 -9.763 -4.177 1.994 1.00 0.29 O ATOM 428 CG2 THR A 29 -8.716 -2.666 0.438 1.00 0.17 C ATOM 0 H THR A 29 -8.214 -5.543 1.437 1.00 0.08 H new ATOM 0 HA THR A 29 -6.606 -3.176 1.833 1.00 0.10 H new ATOM 0 HB THR A 29 -9.002 -2.340 2.545 1.00 0.15 H new ATOM 0 HG1 THR A 29 -10.633 -3.803 1.742 1.00 0.29 H new ATOM 0 HG21 THR A 29 -9.685 -2.249 0.165 1.00 0.17 H new ATOM 0 HG22 THR A 29 -7.951 -1.895 0.349 1.00 0.17 H new ATOM 0 HG23 THR A 29 -8.476 -3.493 -0.230 1.00 0.17 H new ATOM 436 N LYS A 30 -7.636 -4.805 4.461 1.00 0.07 N ATOM 437 CA LYS A 30 -7.530 -4.849 5.944 1.00 0.07 C ATOM 438 C LYS A 30 -6.061 -4.800 6.364 1.00 0.06 C ATOM 439 O LYS A 30 -5.734 -4.368 7.453 1.00 0.09 O ATOM 440 CB LYS A 30 -8.171 -6.138 6.466 1.00 0.07 C ATOM 441 CG LYS A 30 -9.654 -6.166 6.079 1.00 0.18 C ATOM 442 CD LYS A 30 -10.212 -7.581 6.265 1.00 0.75 C ATOM 443 CE LYS A 30 -11.628 -7.647 5.692 1.00 1.38 C ATOM 444 NZ LYS A 30 -12.124 -9.050 5.755 1.00 2.21 N ATOM 0 H LYS A 30 -8.013 -5.649 4.029 1.00 0.07 H new ATOM 0 HA LYS A 30 -8.050 -3.988 6.365 1.00 0.07 H new ATOM 0 HB2 LYS A 30 -7.659 -7.006 6.049 1.00 0.07 H new ATOM 0 HB3 LYS A 30 -8.066 -6.196 7.549 1.00 0.07 H new ATOM 0 HG2 LYS A 30 -10.213 -5.461 6.694 1.00 0.18 H new ATOM 0 HG3 LYS A 30 -9.775 -5.851 5.043 1.00 0.18 H new ATOM 0 HD2 LYS A 30 -9.571 -8.306 5.764 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -10.223 -7.843 7.323 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -12.291 -6.990 6.255 1.00 1.38 H new ATOM 0 HE3 LYS A 30 -11.631 -7.295 4.660 1.00 1.38 H new ATOM 0 HZ1 LYS A 30 -13.087 -9.096 5.365 1.00 2.21 H new ATOM 0 HZ2 LYS A 30 -11.496 -9.665 5.199 1.00 2.21 H new ATOM 0 HZ3 LYS A 30 -12.135 -9.370 6.744 1.00 2.21 H new ATOM 458 N GLU A 31 -5.171 -5.241 5.513 1.00 0.02 N ATOM 459 CA GLU A 31 -3.710 -5.227 5.866 1.00 0.04 C ATOM 460 C GLU A 31 -3.020 -4.041 5.188 1.00 0.02 C ATOM 461 O GLU A 31 -1.809 -3.994 5.094 1.00 0.12 O ATOM 462 CB GLU A 31 -3.050 -6.523 5.389 1.00 0.09 C ATOM 463 CG GLU A 31 -3.804 -7.729 5.957 1.00 0.14 C ATOM 464 CD GLU A 31 -3.331 -9.003 5.257 1.00 0.19 C ATOM 465 OE1 GLU A 31 -3.366 -9.033 4.037 1.00 0.18 O ATOM 466 OE2 GLU A 31 -2.944 -9.929 5.951 1.00 0.25 O ATOM 0 H GLU A 31 -5.388 -5.611 4.588 1.00 0.02 H new ATOM 0 HA GLU A 31 -3.612 -5.138 6.948 1.00 0.04 H new ATOM 0 HB2 GLU A 31 -3.050 -6.562 4.300 1.00 0.09 H new ATOM 0 HB3 GLU A 31 -2.008 -6.550 5.709 1.00 0.09 H new ATOM 0 HG2 GLU A 31 -3.632 -7.806 7.031 1.00 0.14 H new ATOM 0 HG3 GLU A 31 -4.877 -7.600 5.815 1.00 0.14 H new ATOM 473 N LEU A 32 -3.767 -3.087 4.709 1.00 0.06 N ATOM 474 CA LEU A 32 -3.126 -1.921 4.037 1.00 0.02 C ATOM 475 C LEU A 32 -2.420 -1.050 5.081 1.00 0.06 C ATOM 476 O LEU A 32 -1.267 -0.704 4.931 1.00 0.09 O ATOM 477 CB LEU A 32 -4.194 -1.099 3.304 1.00 0.03 C ATOM 478 CG LEU A 32 -3.571 0.162 2.684 1.00 0.10 C ATOM 479 CD1 LEU A 32 -2.398 -0.216 1.765 1.00 0.21 C ATOM 480 CD2 LEU A 32 -4.644 0.897 1.873 1.00 0.03 C ATOM 0 H LEU A 32 -4.786 -3.062 4.752 1.00 0.06 H new ATOM 0 HA LEU A 32 -2.391 -2.277 3.314 1.00 0.02 H new ATOM 0 HB2 LEU A 32 -4.656 -1.705 2.524 1.00 0.03 H new ATOM 0 HB3 LEU A 32 -4.985 -0.817 3.999 1.00 0.03 H new ATOM 0 HG LEU A 32 -3.195 0.806 3.479 1.00 0.10 H new ATOM 0 HD11 LEU A 32 -1.968 0.688 1.334 1.00 0.21 H new ATOM 0 HD12 LEU A 32 -1.637 -0.740 2.343 1.00 0.21 H new ATOM 0 HD13 LEU A 32 -2.756 -0.864 0.965 1.00 0.21 H new ATOM 0 HD21 LEU A 32 -4.213 1.794 1.428 1.00 0.03 H new ATOM 0 HD22 LEU A 32 -5.015 0.243 1.084 1.00 0.03 H new ATOM 0 HD23 LEU A 32 -5.468 1.177 2.529 1.00 0.03 H new ATOM 492 N GLY A 33 -3.099 -0.693 6.139 1.00 0.10 N ATOM 493 CA GLY A 33 -2.450 0.150 7.177 1.00 0.15 C ATOM 494 C GLY A 33 -1.320 -0.641 7.835 1.00 0.12 C ATOM 495 O GLY A 33 -0.367 -0.080 8.331 1.00 0.18 O ATOM 0 H GLY A 33 -4.069 -0.948 6.326 1.00 0.10 H new ATOM 0 HA2 GLY A 33 -2.057 1.062 6.728 1.00 0.15 H new ATOM 0 HA3 GLY A 33 -3.182 0.453 7.926 1.00 0.15 H new ATOM 499 N THR A 34 -1.417 -1.943 7.840 1.00 0.05 N ATOM 500 CA THR A 34 -0.341 -2.758 8.468 1.00 0.04 C ATOM 501 C THR A 34 0.930 -2.659 7.623 1.00 0.07 C ATOM 502 O THR A 34 2.023 -2.540 8.140 1.00 0.12 O ATOM 503 CB THR A 34 -0.791 -4.220 8.566 1.00 0.03 C ATOM 504 OG1 THR A 34 -2.143 -4.269 8.998 1.00 0.03 O ATOM 505 CG2 THR A 34 0.091 -4.968 9.569 1.00 0.06 C ATOM 0 H THR A 34 -2.190 -2.474 7.439 1.00 0.05 H new ATOM 0 HA THR A 34 -0.137 -2.382 9.470 1.00 0.04 H new ATOM 0 HB THR A 34 -0.701 -4.691 7.587 1.00 0.03 H new ATOM 0 HG1 THR A 34 -2.433 -5.203 9.060 1.00 0.03 H new ATOM 0 HG21 THR A 34 -0.233 -6.007 9.635 1.00 0.06 H new ATOM 0 HG22 THR A 34 1.129 -4.932 9.238 1.00 0.06 H new ATOM 0 HG23 THR A 34 0.006 -4.499 10.549 1.00 0.06 H new ATOM 513 N VAL A 35 0.798 -2.695 6.328 1.00 0.05 N ATOM 514 CA VAL A 35 2.002 -2.587 5.459 1.00 0.09 C ATOM 515 C VAL A 35 2.585 -1.181 5.606 1.00 0.11 C ATOM 516 O VAL A 35 3.761 -1.006 5.857 1.00 0.14 O ATOM 517 CB VAL A 35 1.605 -2.841 4.001 1.00 0.09 C ATOM 518 CG1 VAL A 35 2.820 -2.633 3.092 1.00 0.12 C ATOM 519 CG2 VAL A 35 1.101 -4.280 3.857 1.00 0.09 C ATOM 0 H VAL A 35 -0.089 -2.794 5.834 1.00 0.05 H new ATOM 0 HA VAL A 35 2.747 -3.326 5.754 1.00 0.09 H new ATOM 0 HB VAL A 35 0.817 -2.146 3.713 1.00 0.09 H new ATOM 0 HG11 VAL A 35 2.534 -2.814 2.056 1.00 0.12 H new ATOM 0 HG12 VAL A 35 3.181 -1.610 3.195 1.00 0.12 H new ATOM 0 HG13 VAL A 35 3.611 -3.327 3.377 1.00 0.12 H new ATOM 0 HG21 VAL A 35 0.818 -4.464 2.821 1.00 0.09 H new ATOM 0 HG22 VAL A 35 1.891 -4.973 4.146 1.00 0.09 H new ATOM 0 HG23 VAL A 35 0.235 -4.428 4.502 1.00 0.09 H new ATOM 529 N MET A 36 1.767 -0.175 5.471 1.00 0.12 N ATOM 530 CA MET A 36 2.278 1.213 5.624 1.00 0.17 C ATOM 531 C MET A 36 2.951 1.344 6.994 1.00 0.20 C ATOM 532 O MET A 36 3.873 2.114 7.173 1.00 0.14 O ATOM 533 CB MET A 36 1.105 2.198 5.533 1.00 0.18 C ATOM 534 CG MET A 36 0.686 2.394 4.064 1.00 0.19 C ATOM 535 SD MET A 36 1.557 3.821 3.366 1.00 0.88 S ATOM 536 CE MET A 36 0.434 4.114 1.979 1.00 0.41 C ATOM 0 H MET A 36 0.772 -0.254 5.262 1.00 0.12 H new ATOM 0 HA MET A 36 2.998 1.435 4.836 1.00 0.17 H new ATOM 0 HB2 MET A 36 0.261 1.824 6.112 1.00 0.18 H new ATOM 0 HB3 MET A 36 1.391 3.156 5.968 1.00 0.18 H new ATOM 0 HG2 MET A 36 0.916 1.498 3.488 1.00 0.19 H new ATOM 0 HG3 MET A 36 -0.391 2.546 4.000 1.00 0.19 H new ATOM 0 HE1 MET A 36 0.786 4.968 1.400 1.00 0.41 H new ATOM 0 HE2 MET A 36 0.405 3.230 1.342 1.00 0.41 H new ATOM 0 HE3 MET A 36 -0.567 4.321 2.358 1.00 0.41 H new ATOM 546 N ARG A 37 2.490 0.597 7.967 1.00 0.29 N ATOM 547 CA ARG A 37 3.103 0.685 9.323 1.00 0.32 C ATOM 548 C ARG A 37 4.507 0.075 9.298 1.00 0.33 C ATOM 549 O ARG A 37 5.396 0.524 9.994 1.00 0.34 O ATOM 550 CB ARG A 37 2.224 -0.070 10.336 1.00 0.34 C ATOM 551 CG ARG A 37 1.018 0.798 10.747 1.00 0.34 C ATOM 552 CD ARG A 37 1.406 1.802 11.844 1.00 1.24 C ATOM 553 NE ARG A 37 2.194 1.128 12.934 1.00 1.90 N ATOM 554 CZ ARG A 37 1.729 0.088 13.571 1.00 1.71 C ATOM 555 NH1 ARG A 37 0.489 -0.286 13.417 1.00 1.26 N ATOM 556 NH2 ARG A 37 2.494 -0.550 14.417 1.00 2.42 N ATOM 0 H ARG A 37 1.720 -0.066 7.879 1.00 0.29 H new ATOM 0 HA ARG A 37 3.175 1.732 9.619 1.00 0.32 H new ATOM 0 HB2 ARG A 37 1.875 -1.006 9.899 1.00 0.34 H new ATOM 0 HB3 ARG A 37 2.812 -0.329 11.217 1.00 0.34 H new ATOM 0 HG2 ARG A 37 0.639 1.334 9.877 1.00 0.34 H new ATOM 0 HG3 ARG A 37 0.211 0.158 11.104 1.00 0.34 H new ATOM 0 HD2 ARG A 37 1.995 2.611 11.411 1.00 1.24 H new ATOM 0 HD3 ARG A 37 0.507 2.252 12.265 1.00 1.24 H new ATOM 0 HE ARG A 37 3.114 1.493 13.181 1.00 1.90 H new ATOM 0 HH11 ARG A 37 -0.127 0.236 12.794 1.00 1.26 H new ATOM 0 HH12 ARG A 37 0.136 -1.100 13.920 1.00 1.26 H new ATOM 0 HH21 ARG A 37 3.451 -0.235 14.578 1.00 2.42 H new ATOM 0 HH22 ARG A 37 2.134 -1.363 14.917 1.00 2.42 H new ATOM 570 N SER A 38 4.721 -0.937 8.504 1.00 0.33 N ATOM 571 CA SER A 38 6.074 -1.554 8.449 1.00 0.33 C ATOM 572 C SER A 38 7.070 -0.519 7.924 1.00 0.33 C ATOM 573 O SER A 38 8.233 -0.530 8.273 1.00 0.36 O ATOM 574 CB SER A 38 6.050 -2.767 7.519 1.00 0.33 C ATOM 575 OG SER A 38 5.654 -2.354 6.219 1.00 0.39 O ATOM 0 H SER A 38 4.022 -1.361 7.894 1.00 0.33 H new ATOM 0 HA SER A 38 6.372 -1.879 9.446 1.00 0.33 H new ATOM 0 HB2 SER A 38 7.036 -3.230 7.481 1.00 0.33 H new ATOM 0 HB3 SER A 38 5.359 -3.519 7.901 1.00 0.33 H new ATOM 0 HG SER A 38 4.687 -2.197 6.206 1.00 0.39 H new ATOM 581 N LEU A 39 6.620 0.382 7.091 1.00 0.29 N ATOM 582 CA LEU A 39 7.541 1.425 6.549 1.00 0.29 C ATOM 583 C LEU A 39 7.691 2.556 7.572 1.00 0.32 C ATOM 584 O LEU A 39 8.408 3.513 7.352 1.00 0.32 O ATOM 585 CB LEU A 39 6.973 1.992 5.246 1.00 0.23 C ATOM 586 CG LEU A 39 6.557 0.846 4.319 1.00 0.18 C ATOM 587 CD1 LEU A 39 5.950 1.426 3.038 1.00 0.12 C ATOM 588 CD2 LEU A 39 7.782 -0.007 3.965 1.00 0.24 C ATOM 0 H LEU A 39 5.656 0.441 6.763 1.00 0.29 H new ATOM 0 HA LEU A 39 8.515 0.976 6.353 1.00 0.29 H new ATOM 0 HB2 LEU A 39 6.115 2.629 5.460 1.00 0.23 H new ATOM 0 HB3 LEU A 39 7.719 2.617 4.755 1.00 0.23 H new ATOM 0 HG LEU A 39 5.820 0.222 4.824 1.00 0.18 H new ATOM 0 HD11 LEU A 39 5.653 0.613 2.376 1.00 0.12 H new ATOM 0 HD12 LEU A 39 5.076 2.027 3.289 1.00 0.12 H new ATOM 0 HD13 LEU A 39 6.688 2.051 2.536 1.00 0.12 H new ATOM 0 HD21 LEU A 39 7.480 -0.821 3.305 1.00 0.24 H new ATOM 0 HD22 LEU A 39 8.524 0.613 3.461 1.00 0.24 H new ATOM 0 HD23 LEU A 39 8.214 -0.420 4.877 1.00 0.24 H new ATOM 600 N GLY A 40 7.025 2.453 8.692 1.00 0.33 N ATOM 601 CA GLY A 40 7.136 3.519 9.735 1.00 0.36 C ATOM 602 C GLY A 40 6.099 4.620 9.485 1.00 0.35 C ATOM 603 O GLY A 40 6.189 5.697 10.041 1.00 0.36 O ATOM 0 H GLY A 40 6.408 1.677 8.931 1.00 0.33 H new ATOM 0 HA2 GLY A 40 6.985 3.086 10.724 1.00 0.36 H new ATOM 0 HA3 GLY A 40 8.139 3.946 9.723 1.00 0.36 H new ATOM 607 N GLN A 41 5.114 4.364 8.660 1.00 0.34 N ATOM 608 CA GLN A 41 4.068 5.401 8.382 1.00 0.34 C ATOM 609 C GLN A 41 2.809 5.090 9.199 1.00 0.34 C ATOM 610 O GLN A 41 2.445 3.945 9.371 1.00 0.34 O ATOM 611 CB GLN A 41 3.720 5.381 6.891 1.00 0.35 C ATOM 612 CG GLN A 41 4.891 5.949 6.088 1.00 0.30 C ATOM 613 CD GLN A 41 5.004 7.454 6.344 1.00 1.24 C ATOM 614 OE1 GLN A 41 4.156 8.219 5.928 1.00 1.58 O ATOM 615 NE2 GLN A 41 6.021 7.915 7.021 1.00 2.37 N ATOM 0 H GLN A 41 4.988 3.481 8.166 1.00 0.34 H new ATOM 0 HA GLN A 41 4.448 6.384 8.659 1.00 0.34 H new ATOM 0 HB2 GLN A 41 3.505 4.362 6.570 1.00 0.35 H new ATOM 0 HB3 GLN A 41 2.820 5.969 6.708 1.00 0.35 H new ATOM 0 HG2 GLN A 41 5.817 5.450 6.373 1.00 0.30 H new ATOM 0 HG3 GLN A 41 4.742 5.760 5.025 1.00 0.30 H new ATOM 0 HE21 GLN A 41 6.733 7.274 7.371 1.00 2.37 H new ATOM 0 HE22 GLN A 41 6.103 8.916 7.200 1.00 2.37 H new ATOM 624 N ASN A 42 2.147 6.102 9.709 1.00 0.35 N ATOM 625 CA ASN A 42 0.912 5.870 10.525 1.00 0.33 C ATOM 626 C ASN A 42 -0.184 6.864 10.113 1.00 0.34 C ATOM 627 O ASN A 42 -0.462 7.797 10.841 1.00 0.36 O ATOM 628 CB ASN A 42 1.246 6.084 12.000 1.00 0.37 C ATOM 629 CG ASN A 42 0.022 5.754 12.853 1.00 0.26 C ATOM 630 OD1 ASN A 42 -0.919 5.147 12.378 1.00 1.10 O ATOM 631 ND2 ASN A 42 -0.009 6.132 14.102 1.00 0.88 N ATOM 0 H ASN A 42 2.410 7.081 9.595 1.00 0.35 H new ATOM 0 HA ASN A 42 0.556 4.853 10.360 1.00 0.33 H new ATOM 0 HB2 ASN A 42 2.085 5.451 12.289 1.00 0.37 H new ATOM 0 HB3 ASN A 42 1.552 7.116 12.168 1.00 0.37 H new ATOM 0 HD21 ASN A 42 -0.822 5.918 14.679 1.00 0.88 H new ATOM 0 HD22 ASN A 42 0.780 6.641 14.501 1.00 0.88 H new ATOM 638 N PRO A 43 -0.790 6.642 8.966 1.00 0.34 N ATOM 639 CA PRO A 43 -1.863 7.530 8.476 1.00 0.39 C ATOM 640 C PRO A 43 -3.105 7.341 9.357 1.00 0.39 C ATOM 641 O PRO A 43 -3.317 6.282 9.914 1.00 0.34 O ATOM 642 CB PRO A 43 -2.128 7.064 7.024 1.00 0.39 C ATOM 643 CG PRO A 43 -1.309 5.758 6.800 1.00 0.34 C ATOM 644 CD PRO A 43 -0.463 5.512 8.068 1.00 0.33 C ATOM 0 HA PRO A 43 -1.601 8.588 8.509 1.00 0.39 H new ATOM 0 HB2 PRO A 43 -3.191 6.883 6.867 1.00 0.39 H new ATOM 0 HB3 PRO A 43 -1.827 7.833 6.313 1.00 0.39 H new ATOM 0 HG2 PRO A 43 -1.975 4.915 6.615 1.00 0.34 H new ATOM 0 HG3 PRO A 43 -0.667 5.854 5.924 1.00 0.34 H new ATOM 0 HD2 PRO A 43 -0.710 4.556 8.529 1.00 0.33 H new ATOM 0 HD3 PRO A 43 0.601 5.487 7.835 1.00 0.33 H new ATOM 652 N THR A 44 -3.934 8.344 9.490 1.00 0.44 N ATOM 653 CA THR A 44 -5.145 8.170 10.337 1.00 0.45 C ATOM 654 C THR A 44 -6.108 7.217 9.639 1.00 0.43 C ATOM 655 O THR A 44 -5.886 6.801 8.520 1.00 0.41 O ATOM 656 CB THR A 44 -5.841 9.515 10.558 1.00 0.51 C ATOM 657 OG1 THR A 44 -6.094 10.128 9.305 1.00 0.57 O ATOM 658 CG2 THR A 44 -4.952 10.425 11.406 1.00 0.50 C ATOM 0 H THR A 44 -3.826 9.261 9.056 1.00 0.44 H new ATOM 0 HA THR A 44 -4.846 7.764 11.304 1.00 0.45 H new ATOM 0 HB THR A 44 -6.784 9.351 11.079 1.00 0.51 H new ATOM 0 HG1 THR A 44 -6.541 10.988 9.446 1.00 0.57 H new ATOM 0 HG21 THR A 44 -5.452 11.381 11.560 1.00 0.50 H new ATOM 0 HG22 THR A 44 -4.764 9.954 12.371 1.00 0.50 H new ATOM 0 HG23 THR A 44 -4.005 10.590 10.892 1.00 0.50 H new ATOM 666 N GLU A 45 -7.175 6.865 10.291 1.00 0.46 N ATOM 667 CA GLU A 45 -8.152 5.934 9.671 1.00 0.46 C ATOM 668 C GLU A 45 -8.816 6.601 8.467 1.00 0.50 C ATOM 669 O GLU A 45 -9.059 5.967 7.460 1.00 0.45 O ATOM 670 CB GLU A 45 -9.213 5.567 10.707 1.00 0.50 C ATOM 671 CG GLU A 45 -8.569 4.772 11.845 1.00 0.62 C ATOM 672 CD GLU A 45 -8.086 3.419 11.321 1.00 1.49 C ATOM 673 OE1 GLU A 45 -8.580 2.996 10.288 1.00 2.37 O ATOM 674 OE2 GLU A 45 -7.231 2.827 11.959 1.00 2.50 O ATOM 0 H GLU A 45 -7.414 7.183 11.230 1.00 0.46 H new ATOM 0 HA GLU A 45 -7.637 5.034 9.335 1.00 0.46 H new ATOM 0 HB2 GLU A 45 -9.679 6.470 11.100 1.00 0.50 H new ATOM 0 HB3 GLU A 45 -10.003 4.978 10.240 1.00 0.50 H new ATOM 0 HG2 GLU A 45 -7.732 5.331 12.263 1.00 0.62 H new ATOM 0 HG3 GLU A 45 -9.288 4.625 12.651 1.00 0.62 H new ATOM 681 N ALA A 46 -9.115 7.868 8.551 1.00 0.59 N ATOM 682 CA ALA A 46 -9.763 8.544 7.393 1.00 0.63 C ATOM 683 C ALA A 46 -8.767 8.610 6.232 1.00 0.61 C ATOM 684 O ALA A 46 -9.124 8.399 5.090 1.00 0.61 O ATOM 685 CB ALA A 46 -10.203 9.957 7.795 1.00 0.70 C ATOM 0 H ALA A 46 -8.941 8.460 9.363 1.00 0.59 H new ATOM 0 HA ALA A 46 -10.643 7.981 7.083 1.00 0.63 H new ATOM 0 HB1 ALA A 46 -10.676 10.447 6.944 1.00 0.70 H new ATOM 0 HB2 ALA A 46 -10.913 9.896 8.620 1.00 0.70 H new ATOM 0 HB3 ALA A 46 -9.333 10.534 8.108 1.00 0.70 H new ATOM 691 N GLU A 47 -7.520 8.879 6.510 1.00 0.59 N ATOM 692 CA GLU A 47 -6.524 8.927 5.406 1.00 0.58 C ATOM 693 C GLU A 47 -6.486 7.553 4.748 1.00 0.54 C ATOM 694 O GLU A 47 -6.330 7.424 3.551 1.00 0.58 O ATOM 695 CB GLU A 47 -5.136 9.252 5.967 1.00 0.56 C ATOM 696 CG GLU A 47 -5.060 10.733 6.343 1.00 0.56 C ATOM 697 CD GLU A 47 -3.637 11.073 6.788 1.00 0.74 C ATOM 698 OE1 GLU A 47 -3.087 10.321 7.575 1.00 1.03 O ATOM 699 OE2 GLU A 47 -3.121 12.081 6.332 1.00 1.05 O ATOM 0 H GLU A 47 -7.152 9.065 7.443 1.00 0.59 H new ATOM 0 HA GLU A 47 -6.803 9.696 4.685 1.00 0.58 H new ATOM 0 HB2 GLU A 47 -4.934 8.635 6.843 1.00 0.56 H new ATOM 0 HB3 GLU A 47 -4.371 9.016 5.227 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -5.343 11.351 5.491 1.00 0.56 H new ATOM 0 HG3 GLU A 47 -5.765 10.953 7.144 1.00 0.56 H new ATOM 706 N LEU A 48 -6.624 6.520 5.533 1.00 0.49 N ATOM 707 CA LEU A 48 -6.594 5.145 4.968 1.00 0.46 C ATOM 708 C LEU A 48 -7.907 4.854 4.230 1.00 0.46 C ATOM 709 O LEU A 48 -7.906 4.307 3.149 1.00 0.44 O ATOM 710 CB LEU A 48 -6.407 4.130 6.112 1.00 0.46 C ATOM 711 CG LEU A 48 -4.914 4.001 6.480 1.00 0.43 C ATOM 712 CD1 LEU A 48 -4.770 3.493 7.919 1.00 0.59 C ATOM 713 CD2 LEU A 48 -4.221 3.005 5.538 1.00 0.28 C ATOM 0 H LEU A 48 -6.756 6.571 6.543 1.00 0.49 H new ATOM 0 HA LEU A 48 -5.766 5.061 4.264 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -6.977 4.448 6.985 1.00 0.46 H new ATOM 0 HB3 LEU A 48 -6.799 3.158 5.812 1.00 0.46 H new ATOM 0 HG LEU A 48 -4.451 4.983 6.385 1.00 0.43 H new ATOM 0 HD11 LEU A 48 -3.713 3.405 8.170 1.00 0.59 H new ATOM 0 HD12 LEU A 48 -5.248 4.195 8.602 1.00 0.59 H new ATOM 0 HD13 LEU A 48 -5.247 2.517 8.010 1.00 0.59 H new ATOM 0 HD21 LEU A 48 -3.168 2.922 5.807 1.00 0.28 H new ATOM 0 HD22 LEU A 48 -4.696 2.028 5.628 1.00 0.28 H new ATOM 0 HD23 LEU A 48 -4.306 3.357 4.510 1.00 0.28 H new ATOM 725 N GLN A 49 -9.026 5.198 4.807 1.00 0.50 N ATOM 726 CA GLN A 49 -10.326 4.912 4.130 1.00 0.51 C ATOM 727 C GLN A 49 -10.487 5.795 2.893 1.00 0.53 C ATOM 728 O GLN A 49 -11.251 5.490 1.999 1.00 0.53 O ATOM 729 CB GLN A 49 -11.479 5.194 5.096 1.00 0.51 C ATOM 730 CG GLN A 49 -11.510 4.144 6.217 1.00 0.57 C ATOM 731 CD GLN A 49 -12.883 4.156 6.896 1.00 1.14 C ATOM 732 OE1 GLN A 49 -13.348 3.137 7.370 1.00 1.34 O ATOM 733 NE2 GLN A 49 -13.553 5.272 6.966 1.00 2.44 N ATOM 0 H GLN A 49 -9.098 5.662 5.712 1.00 0.50 H new ATOM 0 HA GLN A 49 -10.339 3.865 3.828 1.00 0.51 H new ATOM 0 HB2 GLN A 49 -11.367 6.190 5.525 1.00 0.51 H new ATOM 0 HB3 GLN A 49 -12.425 5.185 4.555 1.00 0.51 H new ATOM 0 HG2 GLN A 49 -11.304 3.155 5.808 1.00 0.57 H new ATOM 0 HG3 GLN A 49 -10.730 4.355 6.948 1.00 0.57 H new ATOM 0 HE21 GLN A 49 -13.163 6.127 6.569 1.00 2.44 H new ATOM 0 HE22 GLN A 49 -14.467 5.291 7.418 1.00 2.44 H new ATOM 742 N ASP A 50 -9.786 6.888 2.832 1.00 0.54 N ATOM 743 CA ASP A 50 -9.918 7.782 1.647 1.00 0.56 C ATOM 744 C ASP A 50 -9.222 7.136 0.452 1.00 0.53 C ATOM 745 O ASP A 50 -9.752 7.089 -0.639 1.00 0.55 O ATOM 746 CB ASP A 50 -9.272 9.134 1.952 1.00 0.59 C ATOM 747 CG ASP A 50 -10.051 9.832 3.069 1.00 1.03 C ATOM 748 OD1 ASP A 50 -11.188 9.452 3.297 1.00 1.34 O ATOM 749 OD2 ASP A 50 -9.496 10.731 3.679 1.00 2.00 O ATOM 0 H ASP A 50 -9.129 7.203 3.546 1.00 0.54 H new ATOM 0 HA ASP A 50 -10.972 7.934 1.416 1.00 0.56 H new ATOM 0 HB2 ASP A 50 -8.233 8.993 2.252 1.00 0.59 H new ATOM 0 HB3 ASP A 50 -9.264 9.755 1.057 1.00 0.59 H new ATOM 890 N GLY A 61 -12.038 -5.413 -2.865 1.00 0.08 N ATOM 891 CA GLY A 61 -11.477 -5.285 -1.484 1.00 0.20 C ATOM 892 C GLY A 61 -10.049 -5.844 -1.423 1.00 0.21 C ATOM 893 O GLY A 61 -9.637 -6.391 -0.420 1.00 0.23 O ATOM 0 HA2 GLY A 61 -11.476 -4.237 -1.183 1.00 0.20 H new ATOM 0 HA3 GLY A 61 -12.112 -5.819 -0.777 1.00 0.20 H new ATOM 897 N THR A 62 -9.286 -5.714 -2.484 1.00 0.19 N ATOM 898 CA THR A 62 -7.880 -6.235 -2.484 1.00 0.20 C ATOM 899 C THR A 62 -6.960 -5.226 -3.180 1.00 0.20 C ATOM 900 O THR A 62 -7.417 -4.312 -3.840 1.00 0.20 O ATOM 901 CB THR A 62 -7.828 -7.562 -3.241 1.00 0.20 C ATOM 902 OG1 THR A 62 -8.485 -7.417 -4.493 1.00 0.27 O ATOM 903 CG2 THR A 62 -8.517 -8.651 -2.423 1.00 0.27 C ATOM 0 H THR A 62 -9.578 -5.268 -3.353 1.00 0.19 H new ATOM 0 HA THR A 62 -7.551 -6.384 -1.456 1.00 0.20 H new ATOM 0 HB THR A 62 -6.788 -7.844 -3.406 1.00 0.20 H new ATOM 0 HG1 THR A 62 -8.451 -8.266 -4.981 1.00 0.27 H new ATOM 0 HG21 THR A 62 -8.477 -9.595 -2.967 1.00 0.27 H new ATOM 0 HG22 THR A 62 -8.009 -8.763 -1.465 1.00 0.27 H new ATOM 0 HG23 THR A 62 -9.557 -8.374 -2.252 1.00 0.27 H new ATOM 911 N ILE A 63 -5.665 -5.381 -3.040 1.00 0.21 N ATOM 912 CA ILE A 63 -4.706 -4.433 -3.691 1.00 0.21 C ATOM 913 C ILE A 63 -3.514 -5.224 -4.241 1.00 0.22 C ATOM 914 O ILE A 63 -2.986 -6.098 -3.585 1.00 0.23 O ATOM 915 CB ILE A 63 -4.200 -3.418 -2.649 1.00 0.21 C ATOM 916 CG1 ILE A 63 -5.359 -3.029 -1.717 1.00 0.19 C ATOM 917 CG2 ILE A 63 -3.634 -2.169 -3.354 1.00 0.23 C ATOM 918 CD1 ILE A 63 -4.890 -2.003 -0.683 1.00 0.29 C ATOM 0 H ILE A 63 -5.229 -6.128 -2.499 1.00 0.21 H new ATOM 0 HA ILE A 63 -5.208 -3.905 -4.502 1.00 0.21 H new ATOM 0 HB ILE A 63 -3.401 -3.869 -2.060 1.00 0.21 H new ATOM 0 HG12 ILE A 63 -6.181 -2.616 -2.301 1.00 0.19 H new ATOM 0 HG13 ILE A 63 -5.741 -3.916 -1.211 1.00 0.19 H new ATOM 0 HG21 ILE A 63 -3.279 -1.459 -2.607 1.00 0.23 H new ATOM 0 HG22 ILE A 63 -2.806 -2.460 -4.000 1.00 0.23 H new ATOM 0 HG23 ILE A 63 -4.416 -1.704 -3.954 1.00 0.23 H new ATOM 0 HD11 ILE A 63 -5.722 -1.738 -0.031 1.00 0.29 H new ATOM 0 HD12 ILE A 63 -4.083 -2.430 -0.087 1.00 0.29 H new ATOM 0 HD13 ILE A 63 -4.530 -1.110 -1.194 1.00 0.29 H new ATOM 930 N ASP A 64 -3.080 -4.908 -5.432 1.00 0.22 N ATOM 931 CA ASP A 64 -1.905 -5.614 -6.037 1.00 0.22 C ATOM 932 C ASP A 64 -0.669 -4.697 -5.909 1.00 0.22 C ATOM 933 O ASP A 64 -0.794 -3.535 -5.577 1.00 0.22 O ATOM 934 CB ASP A 64 -2.215 -5.943 -7.505 1.00 0.23 C ATOM 935 CG ASP A 64 -2.407 -4.657 -8.314 1.00 0.24 C ATOM 936 OD1 ASP A 64 -2.027 -3.608 -7.828 1.00 0.24 O ATOM 937 OD2 ASP A 64 -2.938 -4.745 -9.410 1.00 0.31 O ATOM 0 H ASP A 64 -3.492 -4.184 -6.020 1.00 0.22 H new ATOM 0 HA ASP A 64 -1.700 -6.552 -5.520 1.00 0.22 H new ATOM 0 HB2 ASP A 64 -1.402 -6.530 -7.932 1.00 0.23 H new ATOM 0 HB3 ASP A 64 -3.115 -6.555 -7.564 1.00 0.23 H new ATOM 942 N PHE A 65 0.520 -5.209 -6.124 1.00 0.21 N ATOM 943 CA PHE A 65 1.747 -4.353 -5.960 1.00 0.21 C ATOM 944 C PHE A 65 1.785 -3.145 -6.927 1.00 0.21 C ATOM 945 O PHE A 65 2.117 -2.065 -6.482 1.00 0.22 O ATOM 946 CB PHE A 65 3.022 -5.212 -6.086 1.00 0.21 C ATOM 947 CG PHE A 65 4.237 -4.423 -5.630 1.00 0.21 C ATOM 948 CD1 PHE A 65 4.342 -3.989 -4.298 1.00 0.62 C ATOM 949 CD2 PHE A 65 5.265 -4.131 -6.540 1.00 0.63 C ATOM 950 CE1 PHE A 65 5.469 -3.267 -3.885 1.00 0.63 C ATOM 951 CE2 PHE A 65 6.391 -3.409 -6.122 1.00 0.61 C ATOM 952 CZ PHE A 65 6.492 -2.978 -4.795 1.00 0.22 C ATOM 0 H PHE A 65 0.697 -6.174 -6.404 1.00 0.21 H new ATOM 0 HA PHE A 65 1.703 -3.928 -4.957 1.00 0.21 H new ATOM 0 HB2 PHE A 65 2.920 -6.116 -5.485 1.00 0.21 H new ATOM 0 HB3 PHE A 65 3.154 -5.530 -7.120 1.00 0.21 H new ATOM 0 HD1 PHE A 65 3.555 -4.212 -3.593 1.00 0.62 H new ATOM 0 HD2 PHE A 65 5.188 -4.463 -7.565 1.00 0.63 H new ATOM 0 HE1 PHE A 65 5.549 -2.932 -2.861 1.00 0.63 H new ATOM 0 HE2 PHE A 65 7.181 -3.185 -6.824 1.00 0.61 H new ATOM 0 HZ PHE A 65 7.360 -2.422 -4.473 1.00 0.22 H new ATOM 962 N PRO A 66 1.455 -3.295 -8.202 1.00 0.22 N ATOM 963 CA PRO A 66 1.488 -2.128 -9.103 1.00 0.22 C ATOM 964 C PRO A 66 0.612 -1.011 -8.520 1.00 0.24 C ATOM 965 O PRO A 66 1.034 0.124 -8.406 1.00 0.25 O ATOM 966 CB PRO A 66 0.942 -2.642 -10.455 1.00 0.23 C ATOM 967 CG PRO A 66 0.692 -4.169 -10.304 1.00 0.23 C ATOM 968 CD PRO A 66 1.036 -4.560 -8.845 1.00 0.22 C ATOM 0 HA PRO A 66 2.487 -1.710 -9.226 1.00 0.22 H new ATOM 0 HB2 PRO A 66 0.019 -2.126 -10.717 1.00 0.23 H new ATOM 0 HB3 PRO A 66 1.655 -2.447 -11.256 1.00 0.23 H new ATOM 0 HG2 PRO A 66 -0.347 -4.411 -10.530 1.00 0.23 H new ATOM 0 HG3 PRO A 66 1.310 -4.729 -11.006 1.00 0.23 H new ATOM 0 HD2 PRO A 66 0.174 -4.994 -8.338 1.00 0.22 H new ATOM 0 HD3 PRO A 66 1.833 -5.303 -8.812 1.00 0.22 H new ATOM 976 N GLU A 67 -0.601 -1.320 -8.146 1.00 0.26 N ATOM 977 CA GLU A 67 -1.486 -0.273 -7.570 1.00 0.27 C ATOM 978 C GLU A 67 -0.899 0.206 -6.241 1.00 0.26 C ATOM 979 O GLU A 67 -1.025 1.360 -5.878 1.00 0.26 O ATOM 980 CB GLU A 67 -2.892 -0.834 -7.337 1.00 0.28 C ATOM 981 CG GLU A 67 -3.526 -1.200 -8.680 1.00 0.30 C ATOM 982 CD GLU A 67 -4.767 -2.061 -8.441 1.00 0.33 C ATOM 983 OE1 GLU A 67 -4.749 -2.847 -7.508 1.00 0.22 O ATOM 984 OE2 GLU A 67 -5.716 -1.920 -9.195 1.00 0.51 O ATOM 0 H GLU A 67 -1.014 -2.250 -8.215 1.00 0.26 H new ATOM 0 HA GLU A 67 -1.553 0.561 -8.268 1.00 0.27 H new ATOM 0 HB2 GLU A 67 -2.842 -1.713 -6.695 1.00 0.28 H new ATOM 0 HB3 GLU A 67 -3.508 -0.097 -6.821 1.00 0.28 H new ATOM 0 HG2 GLU A 67 -3.797 -0.296 -9.225 1.00 0.30 H new ATOM 0 HG3 GLU A 67 -2.809 -1.741 -9.297 1.00 0.30 H new ATOM 991 N PHE A 68 -0.246 -0.662 -5.512 1.00 0.25 N ATOM 992 CA PHE A 68 0.350 -0.233 -4.220 1.00 0.24 C ATOM 993 C PHE A 68 1.376 0.862 -4.507 1.00 0.23 C ATOM 994 O PHE A 68 1.525 1.802 -3.752 1.00 0.25 O ATOM 995 CB PHE A 68 1.028 -1.421 -3.522 1.00 0.21 C ATOM 996 CG PHE A 68 1.537 -0.994 -2.164 1.00 0.20 C ATOM 997 CD1 PHE A 68 0.672 -0.975 -1.063 1.00 0.19 C ATOM 998 CD2 PHE A 68 2.878 -0.621 -2.004 1.00 0.24 C ATOM 999 CE1 PHE A 68 1.146 -0.580 0.197 1.00 0.22 C ATOM 1000 CE2 PHE A 68 3.351 -0.226 -0.746 1.00 0.27 C ATOM 1001 CZ PHE A 68 2.485 -0.206 0.353 1.00 0.27 C ATOM 0 H PHE A 68 -0.102 -1.642 -5.756 1.00 0.25 H new ATOM 0 HA PHE A 68 -0.430 0.146 -3.560 1.00 0.24 H new ATOM 0 HB2 PHE A 68 0.320 -2.243 -3.413 1.00 0.21 H new ATOM 0 HB3 PHE A 68 1.854 -1.789 -4.131 1.00 0.21 H new ATOM 0 HD1 PHE A 68 -0.361 -1.265 -1.184 1.00 0.19 H new ATOM 0 HD2 PHE A 68 3.548 -0.638 -2.851 1.00 0.24 H new ATOM 0 HE1 PHE A 68 0.478 -0.565 1.045 1.00 0.22 H new ATOM 0 HE2 PHE A 68 4.384 0.063 -0.624 1.00 0.27 H new ATOM 0 HZ PHE A 68 2.851 0.098 1.323 1.00 0.27 H new ATOM 1011 N LEU A 69 2.078 0.754 -5.603 1.00 0.20 N ATOM 1012 CA LEU A 69 3.086 1.799 -5.944 1.00 0.21 C ATOM 1013 C LEU A 69 2.378 3.084 -6.385 1.00 0.26 C ATOM 1014 O LEU A 69 2.925 4.165 -6.278 1.00 0.28 O ATOM 1015 CB LEU A 69 3.979 1.308 -7.091 1.00 0.16 C ATOM 1016 CG LEU A 69 4.758 0.056 -6.672 1.00 0.23 C ATOM 1017 CD1 LEU A 69 5.617 -0.409 -7.851 1.00 0.23 C ATOM 1018 CD2 LEU A 69 5.664 0.367 -5.467 1.00 0.35 C ATOM 0 H LEU A 69 1.998 -0.009 -6.275 1.00 0.20 H new ATOM 0 HA LEU A 69 3.694 1.998 -5.062 1.00 0.21 H new ATOM 0 HB2 LEU A 69 3.367 1.086 -7.966 1.00 0.16 H new ATOM 0 HB3 LEU A 69 4.675 2.096 -7.380 1.00 0.16 H new ATOM 0 HG LEU A 69 4.056 -0.727 -6.387 1.00 0.23 H new ATOM 0 HD11 LEU A 69 6.176 -1.300 -7.565 1.00 0.23 H new ATOM 0 HD12 LEU A 69 4.974 -0.641 -8.700 1.00 0.23 H new ATOM 0 HD13 LEU A 69 6.313 0.383 -8.129 1.00 0.23 H new ATOM 0 HD21 LEU A 69 6.211 -0.532 -5.181 1.00 0.35 H new ATOM 0 HD22 LEU A 69 6.371 1.152 -5.736 1.00 0.35 H new ATOM 0 HD23 LEU A 69 5.053 0.702 -4.629 1.00 0.35 H new ATOM 1030 N THR A 70 1.178 2.986 -6.892 1.00 0.29 N ATOM 1031 CA THR A 70 0.468 4.218 -7.344 1.00 0.35 C ATOM 1032 C THR A 70 -0.051 4.997 -6.133 1.00 0.44 C ATOM 1033 O THR A 70 -0.072 6.211 -6.137 1.00 0.43 O ATOM 1034 CB THR A 70 -0.700 3.840 -8.266 1.00 0.41 C ATOM 1035 OG1 THR A 70 -0.189 3.256 -9.457 1.00 0.38 O ATOM 1036 CG2 THR A 70 -1.499 5.094 -8.618 1.00 0.50 C ATOM 0 H THR A 70 0.662 2.114 -7.012 1.00 0.29 H new ATOM 0 HA THR A 70 1.166 4.848 -7.896 1.00 0.35 H new ATOM 0 HB THR A 70 -1.349 3.127 -7.758 1.00 0.41 H new ATOM 0 HG1 THR A 70 -0.933 3.012 -10.047 1.00 0.38 H new ATOM 0 HG21 THR A 70 -2.328 4.825 -9.273 1.00 0.50 H new ATOM 0 HG22 THR A 70 -1.889 5.545 -7.705 1.00 0.50 H new ATOM 0 HG23 THR A 70 -0.851 5.807 -9.127 1.00 0.50 H new ATOM 1044 N MET A 71 -0.466 4.322 -5.093 1.00 0.56 N ATOM 1045 CA MET A 71 -0.972 5.065 -3.896 1.00 0.69 C ATOM 1046 C MET A 71 0.211 5.726 -3.177 1.00 0.69 C ATOM 1047 O MET A 71 0.119 6.845 -2.709 1.00 0.74 O ATOM 1048 CB MET A 71 -1.792 4.129 -2.955 1.00 0.87 C ATOM 1049 CG MET A 71 -0.921 3.335 -1.954 1.00 0.87 C ATOM 1050 SD MET A 71 -1.970 2.731 -0.603 1.00 1.01 S ATOM 1051 CE MET A 71 -3.270 1.969 -1.611 1.00 0.35 C ATOM 0 H MET A 71 -0.478 3.305 -5.018 1.00 0.56 H new ATOM 0 HA MET A 71 -1.659 5.848 -4.216 1.00 0.69 H new ATOM 0 HB2 MET A 71 -2.513 4.729 -2.399 1.00 0.87 H new ATOM 0 HB3 MET A 71 -2.362 3.427 -3.563 1.00 0.87 H new ATOM 0 HG2 MET A 71 -0.438 2.498 -2.458 1.00 0.87 H new ATOM 0 HG3 MET A 71 -0.128 3.970 -1.559 1.00 0.87 H new ATOM 0 HE1 MET A 71 -3.762 1.183 -1.037 1.00 0.35 H new ATOM 0 HE2 MET A 71 -4.003 2.725 -1.892 1.00 0.35 H new ATOM 0 HE3 MET A 71 -2.828 1.540 -2.510 1.00 0.35 H new ATOM 1061 N MET A 72 1.328 5.052 -3.101 1.00 0.65 N ATOM 1062 CA MET A 72 2.510 5.658 -2.429 1.00 0.69 C ATOM 1063 C MET A 72 3.014 6.833 -3.267 1.00 0.65 C ATOM 1064 O MET A 72 3.422 7.852 -2.744 1.00 0.75 O ATOM 1065 CB MET A 72 3.623 4.613 -2.295 1.00 0.66 C ATOM 1066 CG MET A 72 3.189 3.494 -1.337 1.00 0.67 C ATOM 1067 SD MET A 72 4.661 2.725 -0.621 1.00 1.34 S ATOM 1068 CE MET A 72 4.811 3.816 0.813 1.00 0.52 C ATOM 0 H MET A 72 1.471 4.113 -3.474 1.00 0.65 H new ATOM 0 HA MET A 72 2.225 6.007 -1.436 1.00 0.69 H new ATOM 0 HB2 MET A 72 3.857 4.193 -3.273 1.00 0.66 H new ATOM 0 HB3 MET A 72 4.533 5.086 -1.925 1.00 0.66 H new ATOM 0 HG2 MET A 72 2.555 3.899 -0.548 1.00 0.67 H new ATOM 0 HG3 MET A 72 2.598 2.750 -1.871 1.00 0.67 H new ATOM 0 HE1 MET A 72 5.832 3.779 1.193 1.00 0.52 H new ATOM 0 HE2 MET A 72 4.570 4.838 0.520 1.00 0.52 H new ATOM 0 HE3 MET A 72 4.122 3.490 1.592 1.00 0.52 H new ATOM 1078 N ALA A 73 2.989 6.704 -4.566 1.00 0.51 N ATOM 1079 CA ALA A 73 3.465 7.816 -5.428 1.00 0.47 C ATOM 1080 C ALA A 73 2.530 9.017 -5.262 1.00 0.54 C ATOM 1081 O ALA A 73 2.946 10.154 -5.359 1.00 0.58 O ATOM 1082 CB ALA A 73 3.480 7.365 -6.892 1.00 0.37 C ATOM 0 H ALA A 73 2.660 5.877 -5.064 1.00 0.51 H new ATOM 0 HA ALA A 73 4.476 8.100 -5.135 1.00 0.47 H new ATOM 0 HB1 ALA A 73 3.830 8.183 -7.521 1.00 0.37 H new ATOM 0 HB2 ALA A 73 4.148 6.511 -7.003 1.00 0.37 H new ATOM 0 HB3 ALA A 73 2.473 7.079 -7.195 1.00 0.37 H new ATOM 1222 N GLU A 82 13.850 13.161 -0.280 1.00 1.05 N ATOM 1223 CA GLU A 82 15.004 14.080 -0.403 1.00 1.10 C ATOM 1224 C GLU A 82 15.032 15.022 0.810 1.00 0.86 C ATOM 1225 O GLU A 82 16.078 15.383 1.310 1.00 0.74 O ATOM 1226 CB GLU A 82 14.863 14.849 -1.739 1.00 1.33 C ATOM 1227 CG GLU A 82 14.288 16.259 -1.530 1.00 1.15 C ATOM 1228 CD GLU A 82 13.951 16.882 -2.884 1.00 1.00 C ATOM 1229 OE1 GLU A 82 14.173 16.225 -3.889 1.00 1.26 O ATOM 1230 OE2 GLU A 82 13.473 18.005 -2.896 1.00 1.52 O ATOM 0 HA GLU A 82 15.949 13.537 -0.414 1.00 1.10 H new ATOM 0 HB2 GLU A 82 15.838 14.922 -2.221 1.00 1.33 H new ATOM 0 HB3 GLU A 82 14.215 14.289 -2.414 1.00 1.33 H new ATOM 0 HG2 GLU A 82 13.394 16.209 -0.909 1.00 1.15 H new ATOM 0 HG3 GLU A 82 15.009 16.882 -1.001 1.00 1.15 H new ATOM 1237 N GLU A 83 13.885 15.411 1.278 1.00 0.83 N ATOM 1238 CA GLU A 83 13.813 16.328 2.455 1.00 0.66 C ATOM 1239 C GLU A 83 14.387 15.637 3.683 1.00 0.37 C ATOM 1240 O GLU A 83 14.768 16.279 4.633 1.00 0.24 O ATOM 1241 CB GLU A 83 12.345 16.744 2.698 1.00 0.74 C ATOM 1242 CG GLU A 83 11.616 15.703 3.565 1.00 2.73 C ATOM 1243 CD GLU A 83 10.106 15.906 3.445 1.00 3.08 C ATOM 1244 OE1 GLU A 83 9.603 16.848 4.037 1.00 2.54 O ATOM 1245 OE2 GLU A 83 9.478 15.116 2.761 1.00 4.10 O ATOM 0 H GLU A 83 12.981 15.133 0.895 1.00 0.83 H new ATOM 0 HA GLU A 83 14.401 17.224 2.257 1.00 0.66 H new ATOM 0 HB2 GLU A 83 12.315 17.717 3.188 1.00 0.74 H new ATOM 0 HB3 GLU A 83 11.831 16.852 1.743 1.00 0.74 H new ATOM 0 HG2 GLU A 83 11.885 14.696 3.246 1.00 2.73 H new ATOM 0 HG3 GLU A 83 11.925 15.800 4.606 1.00 2.73 H new ATOM 1252 N GLU A 84 14.459 14.340 3.665 1.00 0.42 N ATOM 1253 CA GLU A 84 15.024 13.609 4.831 1.00 0.38 C ATOM 1254 C GLU A 84 16.546 13.581 4.703 1.00 0.32 C ATOM 1255 O GLU A 84 17.271 13.520 5.679 1.00 0.33 O ATOM 1256 CB GLU A 84 14.483 12.174 4.864 1.00 0.69 C ATOM 1257 CG GLU A 84 13.000 12.196 5.238 1.00 0.77 C ATOM 1258 CD GLU A 84 12.850 12.535 6.722 1.00 1.84 C ATOM 1259 OE1 GLU A 84 13.865 12.626 7.393 1.00 2.92 O ATOM 1260 OE2 GLU A 84 11.725 12.693 7.164 1.00 2.22 O ATOM 0 H GLU A 84 14.150 13.751 2.892 1.00 0.42 H new ATOM 0 HA GLU A 84 14.736 14.113 5.754 1.00 0.38 H new ATOM 0 HB2 GLU A 84 14.617 11.701 3.891 1.00 0.69 H new ATOM 0 HB3 GLU A 84 15.042 11.580 5.587 1.00 0.69 H new ATOM 0 HG2 GLU A 84 12.472 12.932 4.631 1.00 0.77 H new ATOM 0 HG3 GLU A 84 12.547 11.227 5.028 1.00 0.77 H new ATOM 1267 N ILE A 85 17.038 13.628 3.496 1.00 0.27 N ATOM 1268 CA ILE A 85 18.515 13.596 3.293 1.00 0.26 C ATOM 1269 C ILE A 85 19.132 14.957 3.634 1.00 0.23 C ATOM 1270 O ILE A 85 20.150 15.027 4.293 1.00 0.26 O ATOM 1271 CB ILE A 85 18.850 13.235 1.833 1.00 0.23 C ATOM 1272 CG1 ILE A 85 18.613 11.734 1.601 1.00 0.24 C ATOM 1273 CG2 ILE A 85 20.329 13.570 1.545 1.00 0.22 C ATOM 1274 CD1 ILE A 85 18.811 11.408 0.120 1.00 0.20 C ATOM 0 H ILE A 85 16.483 13.687 2.642 1.00 0.27 H new ATOM 0 HA ILE A 85 18.932 12.837 3.955 1.00 0.26 H new ATOM 0 HB ILE A 85 18.208 13.810 1.165 1.00 0.23 H new ATOM 0 HG12 ILE A 85 19.303 11.148 2.208 1.00 0.24 H new ATOM 0 HG13 ILE A 85 17.604 11.462 1.912 1.00 0.24 H new ATOM 0 HG21 ILE A 85 20.565 13.314 0.512 1.00 0.22 H new ATOM 0 HG22 ILE A 85 20.498 14.635 1.703 1.00 0.22 H new ATOM 0 HG23 ILE A 85 20.969 12.997 2.216 1.00 0.22 H new ATOM 0 HD11 ILE A 85 18.643 10.344 -0.044 1.00 0.20 H new ATOM 0 HD12 ILE A 85 18.103 11.983 -0.477 1.00 0.20 H new ATOM 0 HD13 ILE A 85 19.828 11.664 -0.176 1.00 0.20 H new ATOM 1286 N ARG A 86 18.560 16.040 3.181 1.00 0.19 N ATOM 1287 CA ARG A 86 19.184 17.354 3.492 1.00 0.19 C ATOM 1288 C ARG A 86 19.134 17.598 5.000 1.00 0.24 C ATOM 1289 O ARG A 86 20.122 17.980 5.593 1.00 0.24 O ATOM 1290 CB ARG A 86 18.477 18.489 2.743 1.00 0.22 C ATOM 1291 CG ARG A 86 16.963 18.283 2.770 1.00 1.88 C ATOM 1292 CD ARG A 86 16.272 19.582 2.356 1.00 1.78 C ATOM 1293 NE ARG A 86 16.880 20.079 1.090 1.00 1.00 N ATOM 1294 CZ ARG A 86 16.282 21.012 0.403 1.00 1.31 C ATOM 1295 NH1 ARG A 86 15.161 21.518 0.835 1.00 2.48 N ATOM 1296 NH2 ARG A 86 16.805 21.443 -0.712 1.00 1.30 N ATOM 0 H ARG A 86 17.707 16.072 2.622 1.00 0.19 H new ATOM 0 HA ARG A 86 20.223 17.335 3.163 1.00 0.19 H new ATOM 0 HB2 ARG A 86 18.728 19.446 3.199 1.00 0.22 H new ATOM 0 HB3 ARG A 86 18.827 18.526 1.711 1.00 0.22 H new ATOM 0 HG2 ARG A 86 16.682 17.476 2.094 1.00 1.88 H new ATOM 0 HG3 ARG A 86 16.642 17.988 3.769 1.00 1.88 H new ATOM 0 HD2 ARG A 86 15.204 19.412 2.218 1.00 1.78 H new ATOM 0 HD3 ARG A 86 16.377 20.330 3.142 1.00 1.78 H new ATOM 0 HE ARG A 86 17.763 19.690 0.761 1.00 1.00 H new ATOM 0 HH11 ARG A 86 14.754 21.184 1.708 1.00 2.48 H new ATOM 0 HH12 ARG A 86 14.691 22.248 0.300 1.00 2.48 H new ATOM 0 HH21 ARG A 86 17.684 21.050 -1.048 1.00 1.30 H new ATOM 0 HH22 ARG A 86 16.335 22.173 -1.247 1.00 1.30 H new ATOM 1310 N GLU A 87 18.011 17.386 5.643 1.00 0.31 N ATOM 1311 CA GLU A 87 18.004 17.633 7.115 1.00 0.41 C ATOM 1312 C GLU A 87 18.978 16.666 7.795 1.00 0.37 C ATOM 1313 O GLU A 87 19.438 16.916 8.891 1.00 0.37 O ATOM 1314 CB GLU A 87 16.591 17.526 7.729 1.00 0.60 C ATOM 1315 CG GLU A 87 15.960 16.145 7.514 1.00 1.93 C ATOM 1316 CD GLU A 87 16.696 15.087 8.341 1.00 3.59 C ATOM 1317 OE1 GLU A 87 17.251 15.446 9.367 1.00 4.01 O ATOM 1318 OE2 GLU A 87 16.693 13.937 7.934 1.00 4.65 O ATOM 0 H GLU A 87 17.134 17.066 5.232 1.00 0.31 H new ATOM 0 HA GLU A 87 18.329 18.659 7.286 1.00 0.41 H new ATOM 0 HB2 GLU A 87 16.646 17.734 8.797 1.00 0.60 H new ATOM 0 HB3 GLU A 87 15.948 18.288 7.288 1.00 0.60 H new ATOM 0 HG2 GLU A 87 14.908 16.171 7.798 1.00 1.93 H new ATOM 0 HG3 GLU A 87 15.998 15.881 6.457 1.00 1.93 H new ATOM 1325 N ALA A 88 19.336 15.584 7.146 1.00 0.34 N ATOM 1326 CA ALA A 88 20.314 14.654 7.768 1.00 0.29 C ATOM 1327 C ALA A 88 21.689 15.264 7.568 1.00 0.27 C ATOM 1328 O ALA A 88 22.464 15.406 8.481 1.00 0.28 O ATOM 1329 CB ALA A 88 20.266 13.290 7.085 1.00 0.28 C ATOM 0 H ALA A 88 18.995 15.312 6.224 1.00 0.34 H new ATOM 0 HA ALA A 88 20.085 14.512 8.824 1.00 0.29 H new ATOM 0 HB1 ALA A 88 20.989 12.623 7.554 1.00 0.28 H new ATOM 0 HB2 ALA A 88 19.266 12.869 7.184 1.00 0.28 H new ATOM 0 HB3 ALA A 88 20.509 13.403 6.029 1.00 0.28 H new ATOM 1335 N PHE A 89 21.992 15.660 6.372 1.00 0.26 N ATOM 1336 CA PHE A 89 23.309 16.289 6.140 1.00 0.26 C ATOM 1337 C PHE A 89 23.404 17.504 7.068 1.00 0.29 C ATOM 1338 O PHE A 89 24.479 17.919 7.452 1.00 0.30 O ATOM 1339 CB PHE A 89 23.434 16.708 4.667 1.00 0.27 C ATOM 1340 CG PHE A 89 23.926 15.533 3.835 1.00 0.20 C ATOM 1341 CD1 PHE A 89 25.208 15.013 4.055 1.00 0.16 C ATOM 1342 CD2 PHE A 89 23.101 14.957 2.842 1.00 0.22 C ATOM 1343 CE1 PHE A 89 25.659 13.939 3.296 1.00 0.13 C ATOM 1344 CE2 PHE A 89 23.577 13.868 2.080 1.00 0.17 C ATOM 1345 CZ PHE A 89 24.867 13.371 2.322 1.00 0.09 C ATOM 0 H PHE A 89 21.391 15.576 5.552 1.00 0.26 H new ATOM 0 HA PHE A 89 24.121 15.594 6.353 1.00 0.26 H new ATOM 0 HB2 PHE A 89 22.469 17.050 4.294 1.00 0.27 H new ATOM 0 HB3 PHE A 89 24.126 17.545 4.575 1.00 0.27 H new ATOM 0 HD1 PHE A 89 25.845 15.445 4.813 1.00 0.16 H new ATOM 0 HD2 PHE A 89 22.110 15.349 2.667 1.00 0.22 H new ATOM 0 HE1 PHE A 89 26.648 13.543 3.473 1.00 0.13 H new ATOM 0 HE2 PHE A 89 22.955 13.422 1.318 1.00 0.17 H new ATOM 0 HZ PHE A 89 25.241 12.540 1.742 1.00 0.09 H new ATOM 1355 N ARG A 90 22.281 18.053 7.465 1.00 0.30 N ATOM 1356 CA ARG A 90 22.320 19.207 8.404 1.00 0.33 C ATOM 1357 C ARG A 90 22.762 18.675 9.768 1.00 0.24 C ATOM 1358 O ARG A 90 23.627 19.229 10.416 1.00 0.24 O ATOM 1359 CB ARG A 90 20.931 19.838 8.517 1.00 0.39 C ATOM 1360 CG ARG A 90 21.025 21.136 9.331 1.00 0.69 C ATOM 1361 CD ARG A 90 19.614 21.703 9.604 1.00 0.69 C ATOM 1362 NE ARG A 90 19.612 23.189 9.395 1.00 1.08 N ATOM 1363 CZ ARG A 90 20.551 23.946 9.900 1.00 1.89 C ATOM 1364 NH1 ARG A 90 21.442 23.447 10.709 1.00 2.54 N ATOM 1365 NH2 ARG A 90 20.571 25.221 9.625 1.00 2.23 N ATOM 0 H ARG A 90 21.349 17.752 7.180 1.00 0.30 H new ATOM 0 HA ARG A 90 23.012 19.969 8.045 1.00 0.33 H new ATOM 0 HB2 ARG A 90 20.532 20.047 7.524 1.00 0.39 H new ATOM 0 HB3 ARG A 90 20.242 19.143 8.998 1.00 0.39 H new ATOM 0 HG2 ARG A 90 21.536 20.945 10.275 1.00 0.69 H new ATOM 0 HG3 ARG A 90 21.621 21.871 8.789 1.00 0.69 H new ATOM 0 HD2 ARG A 90 18.889 21.233 8.940 1.00 0.69 H new ATOM 0 HD3 ARG A 90 19.310 21.470 10.624 1.00 0.69 H new ATOM 0 HE ARG A 90 18.864 23.617 8.849 1.00 1.08 H new ATOM 0 HH11 ARG A 90 21.411 22.457 10.954 1.00 2.54 H new ATOM 0 HH12 ARG A 90 22.170 24.046 11.098 1.00 2.54 H new ATOM 0 HH21 ARG A 90 19.856 25.623 9.019 1.00 2.23 H new ATOM 0 HH22 ARG A 90 21.301 25.816 10.016 1.00 2.23 H new ATOM 1379 N VAL A 91 22.191 17.575 10.184 1.00 0.18 N ATOM 1380 CA VAL A 91 22.594 16.960 11.486 1.00 0.10 C ATOM 1381 C VAL A 91 24.113 16.811 11.472 1.00 0.13 C ATOM 1382 O VAL A 91 24.752 16.627 12.488 1.00 0.14 O ATOM 1383 CB VAL A 91 21.938 15.554 11.606 1.00 0.08 C ATOM 1384 CG1 VAL A 91 22.815 14.594 12.426 1.00 0.05 C ATOM 1385 CG2 VAL A 91 20.561 15.671 12.281 1.00 0.12 C ATOM 0 H VAL A 91 21.461 17.074 9.678 1.00 0.18 H new ATOM 0 HA VAL A 91 22.276 17.577 12.326 1.00 0.10 H new ATOM 0 HB VAL A 91 21.829 15.154 10.598 1.00 0.08 H new ATOM 0 HG11 VAL A 91 22.328 13.621 12.490 1.00 0.05 H new ATOM 0 HG12 VAL A 91 23.785 14.483 11.941 1.00 0.05 H new ATOM 0 HG13 VAL A 91 22.955 14.997 13.429 1.00 0.05 H new ATOM 0 HG21 VAL A 91 20.110 14.682 12.361 1.00 0.12 H new ATOM 0 HG22 VAL A 91 20.679 16.097 13.277 1.00 0.12 H new ATOM 0 HG23 VAL A 91 19.917 16.317 11.684 1.00 0.12 H new ATOM 1395 N PHE A 92 24.680 16.827 10.300 1.00 0.19 N ATOM 1396 CA PHE A 92 26.142 16.616 10.153 1.00 0.23 C ATOM 1397 C PHE A 92 26.897 17.935 9.980 1.00 0.33 C ATOM 1398 O PHE A 92 28.101 17.997 10.121 1.00 0.42 O ATOM 1399 CB PHE A 92 26.312 15.688 8.946 1.00 0.22 C ATOM 1400 CG PHE A 92 26.286 14.269 9.433 1.00 0.13 C ATOM 1401 CD1 PHE A 92 25.075 13.562 9.546 1.00 0.07 C ATOM 1402 CD2 PHE A 92 27.482 13.677 9.794 1.00 0.14 C ATOM 1403 CE1 PHE A 92 25.079 12.256 10.030 1.00 0.08 C ATOM 1404 CE2 PHE A 92 27.493 12.360 10.276 1.00 0.12 C ATOM 1405 CZ PHE A 92 26.281 11.653 10.396 1.00 0.10 C ATOM 0 H PHE A 92 24.182 16.980 9.423 1.00 0.19 H new ATOM 0 HA PHE A 92 26.568 16.169 11.051 1.00 0.23 H new ATOM 0 HB2 PHE A 92 25.514 15.856 8.223 1.00 0.22 H new ATOM 0 HB3 PHE A 92 27.253 15.897 8.436 1.00 0.22 H new ATOM 0 HD1 PHE A 92 24.145 14.030 9.258 1.00 0.07 H new ATOM 0 HD2 PHE A 92 28.407 14.228 9.705 1.00 0.14 H new ATOM 0 HE1 PHE A 92 24.151 11.711 10.122 1.00 0.08 H new ATOM 0 HE2 PHE A 92 28.425 11.891 10.553 1.00 0.12 H new ATOM 0 HZ PHE A 92 26.283 10.641 10.773 1.00 0.10 H new ATOM 1415 N ASP A 93 26.198 18.986 9.737 1.00 0.34 N ATOM 1416 CA ASP A 93 26.849 20.324 9.597 1.00 0.43 C ATOM 1417 C ASP A 93 26.905 20.981 10.980 1.00 0.55 C ATOM 1418 O ASP A 93 26.237 21.963 11.245 1.00 0.60 O ATOM 1419 CB ASP A 93 26.025 21.194 8.644 1.00 0.43 C ATOM 1420 CG ASP A 93 26.589 22.615 8.623 1.00 0.53 C ATOM 1421 OD1 ASP A 93 27.601 22.840 9.264 1.00 1.68 O ATOM 1422 OD2 ASP A 93 25.997 23.454 7.964 1.00 0.88 O ATOM 0 H ASP A 93 25.184 18.990 9.625 1.00 0.34 H new ATOM 0 HA ASP A 93 27.856 20.215 9.195 1.00 0.43 H new ATOM 0 HB2 ASP A 93 26.045 20.770 7.640 1.00 0.43 H new ATOM 0 HB3 ASP A 93 24.983 21.211 8.962 1.00 0.43 H new ATOM 1489 N TYR A 99 29.271 22.669 4.793 1.00 0.27 N ATOM 1490 CA TYR A 99 30.334 21.741 4.282 1.00 0.35 C ATOM 1491 C TYR A 99 30.755 20.748 5.369 1.00 0.34 C ATOM 1492 O TYR A 99 30.877 21.087 6.531 1.00 0.34 O ATOM 1493 CB TYR A 99 31.560 22.558 3.869 1.00 0.40 C ATOM 1494 CG TYR A 99 31.237 23.370 2.639 1.00 0.42 C ATOM 1495 CD1 TYR A 99 30.714 24.657 2.777 1.00 0.90 C ATOM 1496 CD2 TYR A 99 31.467 22.837 1.366 1.00 0.89 C ATOM 1497 CE1 TYR A 99 30.416 25.418 1.639 1.00 0.89 C ATOM 1498 CE2 TYR A 99 31.172 23.596 0.226 1.00 0.91 C ATOM 1499 CZ TYR A 99 30.645 24.887 0.363 1.00 0.46 C ATOM 1500 OH TYR A 99 30.356 25.635 -0.759 1.00 0.48 O ATOM 0 HA TYR A 99 29.933 21.191 3.431 1.00 0.35 H new ATOM 0 HB2 TYR A 99 31.861 23.217 4.683 1.00 0.40 H new ATOM 0 HB3 TYR A 99 32.401 21.894 3.668 1.00 0.40 H new ATOM 0 HD1 TYR A 99 30.539 25.066 3.761 1.00 0.90 H new ATOM 0 HD2 TYR A 99 31.872 21.841 1.262 1.00 0.89 H new ATOM 0 HE1 TYR A 99 30.010 26.413 1.745 1.00 0.89 H new ATOM 0 HE2 TYR A 99 31.351 23.186 -0.757 1.00 0.91 H new ATOM 0 HH TYR A 99 30.575 25.118 -1.562 1.00 0.48 H new ATOM 1510 N ILE A 100 31.025 19.529 4.979 1.00 0.33 N ATOM 1511 CA ILE A 100 31.496 18.489 5.949 1.00 0.32 C ATOM 1512 C ILE A 100 32.578 17.665 5.253 1.00 0.29 C ATOM 1513 O ILE A 100 32.725 17.721 4.047 1.00 0.25 O ATOM 1514 CB ILE A 100 30.356 17.545 6.398 1.00 0.33 C ATOM 1515 CG1 ILE A 100 29.754 16.827 5.174 1.00 0.39 C ATOM 1516 CG2 ILE A 100 29.251 18.317 7.162 1.00 0.23 C ATOM 1517 CD1 ILE A 100 28.499 16.047 5.581 1.00 0.32 C ATOM 0 H ILE A 100 30.939 19.203 4.016 1.00 0.33 H new ATOM 0 HA ILE A 100 31.873 18.989 6.841 1.00 0.32 H new ATOM 0 HB ILE A 100 30.778 16.805 7.078 1.00 0.33 H new ATOM 0 HG12 ILE A 100 29.504 17.556 4.403 1.00 0.39 H new ATOM 0 HG13 ILE A 100 30.490 16.147 4.744 1.00 0.39 H new ATOM 0 HG21 ILE A 100 28.465 17.624 7.463 1.00 0.23 H new ATOM 0 HG22 ILE A 100 29.681 18.786 8.047 1.00 0.23 H new ATOM 0 HG23 ILE A 100 28.829 19.085 6.514 1.00 0.23 H new ATOM 0 HD11 ILE A 100 28.084 15.545 4.707 1.00 0.32 H new ATOM 0 HD12 ILE A 100 28.760 15.306 6.336 1.00 0.32 H new ATOM 0 HD13 ILE A 100 27.759 16.735 5.989 1.00 0.32 H new ATOM 1529 N SER A 101 33.337 16.900 5.982 1.00 0.30 N ATOM 1530 CA SER A 101 34.399 16.083 5.325 1.00 0.26 C ATOM 1531 C SER A 101 33.751 14.883 4.625 1.00 0.23 C ATOM 1532 O SER A 101 32.833 14.277 5.142 1.00 0.26 O ATOM 1533 CB SER A 101 35.404 15.601 6.376 1.00 0.28 C ATOM 1534 OG SER A 101 34.742 14.746 7.302 1.00 0.29 O ATOM 0 H SER A 101 33.272 16.803 6.995 1.00 0.30 H new ATOM 0 HA SER A 101 34.926 16.689 4.588 1.00 0.26 H new ATOM 0 HB2 SER A 101 36.224 15.069 5.894 1.00 0.28 H new ATOM 0 HB3 SER A 101 35.839 16.453 6.897 1.00 0.28 H new ATOM 0 HG SER A 101 34.198 15.285 7.914 1.00 0.29 H new ATOM 1540 N ALA A 102 34.220 14.544 3.449 1.00 0.16 N ATOM 1541 CA ALA A 102 33.637 13.390 2.695 1.00 0.13 C ATOM 1542 C ALA A 102 33.357 12.220 3.639 1.00 0.14 C ATOM 1543 O ALA A 102 32.414 11.482 3.459 1.00 0.15 O ATOM 1544 CB ALA A 102 34.628 12.942 1.622 1.00 0.06 C ATOM 0 H ALA A 102 34.987 15.021 2.976 1.00 0.16 H new ATOM 0 HA ALA A 102 32.700 13.705 2.236 1.00 0.13 H new ATOM 0 HB1 ALA A 102 34.210 12.101 1.069 1.00 0.06 H new ATOM 0 HB2 ALA A 102 34.820 13.768 0.937 1.00 0.06 H new ATOM 0 HB3 ALA A 102 35.562 12.637 2.094 1.00 0.06 H new ATOM 1550 N ALA A 103 34.159 12.044 4.646 1.00 0.15 N ATOM 1551 CA ALA A 103 33.906 10.921 5.591 1.00 0.17 C ATOM 1552 C ALA A 103 32.534 11.124 6.217 1.00 0.16 C ATOM 1553 O ALA A 103 31.666 10.277 6.146 1.00 0.22 O ATOM 1554 CB ALA A 103 34.979 10.915 6.683 1.00 0.17 C ATOM 0 H ALA A 103 34.973 12.622 4.857 1.00 0.15 H new ATOM 0 HA ALA A 103 33.939 9.968 5.062 1.00 0.17 H new ATOM 0 HB1 ALA A 103 34.791 10.092 7.373 1.00 0.17 H new ATOM 0 HB2 ALA A 103 35.961 10.790 6.227 1.00 0.17 H new ATOM 0 HB3 ALA A 103 34.949 11.859 7.227 1.00 0.17 H new ATOM 1560 N GLU A 104 32.333 12.260 6.809 1.00 0.12 N ATOM 1561 CA GLU A 104 31.015 12.559 7.424 1.00 0.11 C ATOM 1562 C GLU A 104 29.934 12.416 6.348 1.00 0.13 C ATOM 1563 O GLU A 104 28.829 11.988 6.615 1.00 0.22 O ATOM 1564 CB GLU A 104 31.032 13.996 7.957 1.00 0.13 C ATOM 1565 CG GLU A 104 31.710 14.032 9.330 1.00 0.56 C ATOM 1566 CD GLU A 104 32.038 15.479 9.700 1.00 0.42 C ATOM 1567 OE1 GLU A 104 33.058 15.970 9.244 1.00 0.89 O ATOM 1568 OE2 GLU A 104 31.262 16.073 10.429 1.00 0.21 O ATOM 0 H GLU A 104 33.029 13.001 6.895 1.00 0.12 H new ATOM 0 HA GLU A 104 30.809 11.872 8.245 1.00 0.11 H new ATOM 0 HB2 GLU A 104 31.564 14.645 7.261 1.00 0.13 H new ATOM 0 HB3 GLU A 104 30.014 14.377 8.034 1.00 0.13 H new ATOM 0 HG2 GLU A 104 31.055 13.593 10.082 1.00 0.56 H new ATOM 0 HG3 GLU A 104 32.621 13.434 9.313 1.00 0.56 H new ATOM 1575 N LEU A 105 30.254 12.763 5.129 1.00 0.10 N ATOM 1576 CA LEU A 105 29.254 12.637 4.034 1.00 0.12 C ATOM 1577 C LEU A 105 28.951 11.162 3.810 1.00 0.14 C ATOM 1578 O LEU A 105 27.808 10.754 3.737 1.00 0.14 O ATOM 1579 CB LEU A 105 29.819 13.246 2.743 1.00 0.15 C ATOM 1580 CG LEU A 105 28.751 13.212 1.599 1.00 0.06 C ATOM 1581 CD1 LEU A 105 28.155 14.607 1.302 1.00 0.15 C ATOM 1582 CD2 LEU A 105 29.378 12.683 0.310 1.00 0.13 C ATOM 0 H LEU A 105 31.164 13.127 4.847 1.00 0.10 H new ATOM 0 HA LEU A 105 28.341 13.166 4.308 1.00 0.12 H new ATOM 0 HB2 LEU A 105 30.130 14.275 2.926 1.00 0.15 H new ATOM 0 HB3 LEU A 105 30.707 12.695 2.434 1.00 0.15 H new ATOM 0 HG LEU A 105 27.951 12.558 1.944 1.00 0.06 H new ATOM 0 HD11 LEU A 105 27.420 14.526 0.501 1.00 0.15 H new ATOM 0 HD12 LEU A 105 27.672 14.995 2.199 1.00 0.15 H new ATOM 0 HD13 LEU A 105 28.952 15.285 0.996 1.00 0.15 H new ATOM 0 HD21 LEU A 105 28.626 12.664 -0.479 1.00 0.13 H new ATOM 0 HD22 LEU A 105 30.200 13.333 0.012 1.00 0.13 H new ATOM 0 HD23 LEU A 105 29.755 11.674 0.476 1.00 0.13 H new ATOM 1594 N ARG A 106 29.965 10.356 3.712 1.00 0.17 N ATOM 1595 CA ARG A 106 29.728 8.907 3.509 1.00 0.21 C ATOM 1596 C ARG A 106 29.000 8.379 4.741 1.00 0.22 C ATOM 1597 O ARG A 106 28.185 7.488 4.660 1.00 0.24 O ATOM 1598 CB ARG A 106 31.072 8.173 3.346 1.00 0.23 C ATOM 1599 CG ARG A 106 31.568 8.283 1.895 1.00 0.70 C ATOM 1600 CD ARG A 106 32.828 7.415 1.699 1.00 0.58 C ATOM 1601 NE ARG A 106 34.060 8.205 2.045 1.00 1.75 N ATOM 1602 CZ ARG A 106 34.384 9.297 1.408 1.00 3.31 C ATOM 1603 NH1 ARG A 106 33.697 9.687 0.368 1.00 3.98 N ATOM 1604 NH2 ARG A 106 35.425 9.983 1.791 1.00 4.64 N ATOM 0 H ARG A 106 30.944 10.637 3.764 1.00 0.17 H new ATOM 0 HA ARG A 106 29.133 8.741 2.611 1.00 0.21 H new ATOM 0 HB2 ARG A 106 31.812 8.600 4.024 1.00 0.23 H new ATOM 0 HB3 ARG A 106 30.957 7.124 3.620 1.00 0.23 H new ATOM 0 HG2 ARG A 106 30.785 7.961 1.209 1.00 0.70 H new ATOM 0 HG3 ARG A 106 31.792 9.323 1.657 1.00 0.70 H new ATOM 0 HD2 ARG A 106 32.768 6.526 2.328 1.00 0.58 H new ATOM 0 HD3 ARG A 106 32.885 7.072 0.666 1.00 0.58 H new ATOM 0 HE ARG A 106 34.661 7.877 2.801 1.00 1.75 H new ATOM 0 HH11 ARG A 106 32.900 9.137 0.048 1.00 3.98 H new ATOM 0 HH12 ARG A 106 33.957 10.542 -0.124 1.00 3.98 H new ATOM 0 HH21 ARG A 106 35.981 9.665 2.585 1.00 4.64 H new ATOM 0 HH22 ARG A 106 35.683 10.837 1.297 1.00 4.64 H new ATOM 1618 N HIS A 107 29.294 8.936 5.881 1.00 0.20 N ATOM 1619 CA HIS A 107 28.639 8.489 7.132 1.00 0.20 C ATOM 1620 C HIS A 107 27.170 8.938 7.126 1.00 0.21 C ATOM 1621 O HIS A 107 26.292 8.213 7.555 1.00 0.27 O ATOM 1622 CB HIS A 107 29.391 9.119 8.313 1.00 0.21 C ATOM 1623 CG HIS A 107 29.204 8.286 9.550 1.00 0.29 C ATOM 1624 ND1 HIS A 107 29.673 6.985 9.647 1.00 0.23 N ATOM 1625 CD2 HIS A 107 28.608 8.562 10.746 1.00 0.48 C ATOM 1626 CE1 HIS A 107 29.353 6.533 10.873 1.00 0.33 C ATOM 1627 NE2 HIS A 107 28.700 7.455 11.587 1.00 0.48 N ATOM 0 H HIS A 107 29.969 9.691 5.997 1.00 0.20 H new ATOM 0 HA HIS A 107 28.665 7.403 7.218 1.00 0.20 H new ATOM 0 HB2 HIS A 107 30.452 9.200 8.077 1.00 0.21 H new ATOM 0 HB3 HIS A 107 29.026 10.131 8.488 1.00 0.21 H new ATOM 0 HD2 HIS A 107 28.136 9.499 11.002 1.00 0.48 H new ATOM 0 HE1 HIS A 107 29.594 5.545 11.236 1.00 0.33 H new ATOM 0 HE2 HIS A 107 28.346 7.367 12.540 1.00 0.48 H new ATOM 1635 N VAL A 108 26.892 10.117 6.636 1.00 0.18 N ATOM 1636 CA VAL A 108 25.479 10.586 6.602 1.00 0.20 C ATOM 1637 C VAL A 108 24.664 9.623 5.741 1.00 0.18 C ATOM 1638 O VAL A 108 23.521 9.326 6.027 1.00 0.20 O ATOM 1639 CB VAL A 108 25.389 11.973 5.941 1.00 0.22 C ATOM 1640 CG1 VAL A 108 23.908 12.382 5.826 1.00 0.31 C ATOM 1641 CG2 VAL A 108 26.168 13.007 6.779 1.00 0.29 C ATOM 0 H VAL A 108 27.579 10.771 6.260 1.00 0.18 H new ATOM 0 HA VAL A 108 25.103 10.633 7.624 1.00 0.20 H new ATOM 0 HB VAL A 108 25.830 11.934 4.945 1.00 0.22 H new ATOM 0 HG11 VAL A 108 23.837 13.364 5.358 1.00 0.31 H new ATOM 0 HG12 VAL A 108 23.375 11.651 5.218 1.00 0.31 H new ATOM 0 HG13 VAL A 108 23.463 12.421 6.820 1.00 0.31 H new ATOM 0 HG21 VAL A 108 26.099 13.986 6.304 1.00 0.29 H new ATOM 0 HG22 VAL A 108 25.742 13.059 7.781 1.00 0.29 H new ATOM 0 HG23 VAL A 108 27.214 12.708 6.845 1.00 0.29 H new ATOM 1651 N MET A 109 25.237 9.168 4.651 1.00 0.13 N ATOM 1652 CA MET A 109 24.486 8.270 3.738 1.00 0.13 C ATOM 1653 C MET A 109 24.302 6.877 4.364 1.00 0.14 C ATOM 1654 O MET A 109 23.333 6.197 4.094 1.00 0.18 O ATOM 1655 CB MET A 109 25.234 8.146 2.402 1.00 0.11 C ATOM 1656 CG MET A 109 25.478 9.541 1.807 1.00 0.11 C ATOM 1657 SD MET A 109 26.816 9.448 0.590 1.00 0.07 S ATOM 1658 CE MET A 109 25.781 9.157 -0.865 1.00 0.10 C ATOM 0 H MET A 109 26.191 9.383 4.361 1.00 0.13 H new ATOM 0 HA MET A 109 23.500 8.701 3.566 1.00 0.13 H new ATOM 0 HB2 MET A 109 26.185 7.635 2.554 1.00 0.11 H new ATOM 0 HB3 MET A 109 24.654 7.541 1.706 1.00 0.11 H new ATOM 0 HG2 MET A 109 24.568 9.912 1.336 1.00 0.11 H new ATOM 0 HG3 MET A 109 25.738 10.245 2.597 1.00 0.11 H new ATOM 0 HE1 MET A 109 26.401 9.172 -1.761 1.00 0.10 H new ATOM 0 HE2 MET A 109 25.294 8.186 -0.777 1.00 0.10 H new ATOM 0 HE3 MET A 109 25.023 9.937 -0.934 1.00 0.10 H new ATOM 1668 N THR A 110 25.226 6.431 5.185 1.00 0.11 N ATOM 1669 CA THR A 110 25.097 5.081 5.796 1.00 0.13 C ATOM 1670 C THR A 110 24.229 5.156 7.067 1.00 0.17 C ATOM 1671 O THR A 110 23.413 4.292 7.317 1.00 0.22 O ATOM 1672 CB THR A 110 26.522 4.581 6.127 1.00 0.10 C ATOM 1673 OG1 THR A 110 27.463 5.526 5.647 1.00 0.10 O ATOM 1674 CG2 THR A 110 26.793 3.234 5.453 1.00 0.21 C ATOM 0 H THR A 110 26.062 6.949 5.454 1.00 0.11 H new ATOM 0 HA THR A 110 24.610 4.389 5.109 1.00 0.13 H new ATOM 0 HB THR A 110 26.610 4.461 7.207 1.00 0.10 H new ATOM 0 HG1 THR A 110 28.370 5.218 5.854 1.00 0.10 H new ATOM 0 HG21 THR A 110 27.801 2.900 5.699 1.00 0.21 H new ATOM 0 HG22 THR A 110 26.071 2.498 5.807 1.00 0.21 H new ATOM 0 HG23 THR A 110 26.700 3.343 4.372 1.00 0.21 H new ATOM 1682 N ASN A 111 24.408 6.167 7.874 1.00 0.16 N ATOM 1683 CA ASN A 111 23.599 6.269 9.122 1.00 0.21 C ATOM 1684 C ASN A 111 22.126 6.469 8.774 1.00 0.31 C ATOM 1685 O ASN A 111 21.243 6.113 9.530 1.00 0.43 O ATOM 1686 CB ASN A 111 24.095 7.452 9.958 1.00 0.23 C ATOM 1687 CG ASN A 111 23.186 7.639 11.174 1.00 0.71 C ATOM 1688 OD1 ASN A 111 22.894 8.752 11.562 1.00 1.44 O ATOM 1689 ND2 ASN A 111 22.723 6.589 11.796 1.00 1.39 N ATOM 0 H ASN A 111 25.076 6.923 7.724 1.00 0.16 H new ATOM 0 HA ASN A 111 23.707 5.348 9.695 1.00 0.21 H new ATOM 0 HB2 ASN A 111 25.121 7.276 10.282 1.00 0.23 H new ATOM 0 HB3 ASN A 111 24.102 8.359 9.354 1.00 0.23 H new ATOM 0 HD21 ASN A 111 22.116 6.704 12.608 1.00 1.39 H new ATOM 0 HD22 ASN A 111 22.968 5.654 11.470 1.00 1.39 H new ATOM 1696 N LEU A 112 21.857 7.044 7.645 1.00 0.25 N ATOM 1697 CA LEU A 112 20.436 7.284 7.249 1.00 0.34 C ATOM 1698 C LEU A 112 19.683 5.959 7.168 1.00 0.43 C ATOM 1699 O LEU A 112 18.487 5.889 7.370 1.00 0.56 O ATOM 1700 CB LEU A 112 20.390 8.003 5.884 1.00 0.25 C ATOM 1701 CG LEU A 112 20.388 9.526 6.089 1.00 0.32 C ATOM 1702 CD1 LEU A 112 20.547 10.216 4.728 1.00 0.21 C ATOM 1703 CD2 LEU A 112 19.071 9.982 6.769 1.00 0.47 C ATOM 0 H LEU A 112 22.555 7.362 6.972 1.00 0.25 H new ATOM 0 HA LEU A 112 19.958 7.913 8.000 1.00 0.34 H new ATOM 0 HB2 LEU A 112 21.250 7.711 5.281 1.00 0.25 H new ATOM 0 HB3 LEU A 112 19.498 7.701 5.335 1.00 0.25 H new ATOM 0 HG LEU A 112 21.219 9.802 6.739 1.00 0.32 H new ATOM 0 HD11 LEU A 112 20.546 11.297 4.866 1.00 0.21 H new ATOM 0 HD12 LEU A 112 21.488 9.909 4.272 1.00 0.21 H new ATOM 0 HD13 LEU A 112 19.719 9.933 4.078 1.00 0.21 H new ATOM 0 HD21 LEU A 112 19.088 11.063 6.906 1.00 0.47 H new ATOM 0 HD22 LEU A 112 18.223 9.709 6.140 1.00 0.47 H new ATOM 0 HD23 LEU A 112 18.975 9.495 7.739 1.00 0.47 H new ATOM 1715 N GLY A 113 20.381 4.921 6.875 1.00 0.40 N ATOM 1716 CA GLY A 113 19.743 3.573 6.771 1.00 0.54 C ATOM 1717 C GLY A 113 19.304 3.319 5.326 1.00 0.44 C ATOM 1718 O GLY A 113 18.354 2.606 5.072 1.00 0.53 O ATOM 0 H GLY A 113 21.385 4.934 6.697 1.00 0.40 H new ATOM 0 HA2 GLY A 113 20.445 2.802 7.089 1.00 0.54 H new ATOM 0 HA3 GLY A 113 18.883 3.515 7.438 1.00 0.54 H new ATOM 1722 N GLU A 114 19.989 3.898 4.379 1.00 0.32 N ATOM 1723 CA GLU A 114 19.621 3.695 2.955 1.00 0.30 C ATOM 1724 C GLU A 114 20.170 2.336 2.482 1.00 0.27 C ATOM 1725 O GLU A 114 21.208 1.899 2.937 1.00 0.35 O ATOM 1726 CB GLU A 114 20.244 4.828 2.126 1.00 0.36 C ATOM 1727 CG GLU A 114 19.496 6.132 2.401 1.00 0.51 C ATOM 1728 CD GLU A 114 20.046 7.239 1.501 1.00 1.56 C ATOM 1729 OE1 GLU A 114 21.255 7.297 1.338 1.00 2.72 O ATOM 1730 OE2 GLU A 114 19.252 8.009 0.990 1.00 1.69 O ATOM 0 H GLU A 114 20.793 4.507 4.534 1.00 0.32 H new ATOM 0 HA GLU A 114 18.538 3.704 2.835 1.00 0.30 H new ATOM 0 HB2 GLU A 114 21.298 4.941 2.379 1.00 0.36 H new ATOM 0 HB3 GLU A 114 20.195 4.585 1.064 1.00 0.36 H new ATOM 0 HG2 GLU A 114 18.430 5.997 2.218 1.00 0.51 H new ATOM 0 HG3 GLU A 114 19.607 6.413 3.448 1.00 0.51 H new ATOM 1737 N LYS A 115 19.495 1.655 1.580 1.00 0.23 N ATOM 1738 CA LYS A 115 20.015 0.336 1.113 1.00 0.29 C ATOM 1739 C LYS A 115 21.110 0.589 0.088 1.00 0.30 C ATOM 1740 O LYS A 115 21.206 -0.055 -0.938 1.00 0.28 O ATOM 1741 CB LYS A 115 18.890 -0.461 0.470 1.00 0.26 C ATOM 1742 CG LYS A 115 18.000 -1.073 1.557 1.00 0.28 C ATOM 1743 CD LYS A 115 16.704 -1.597 0.924 1.00 0.50 C ATOM 1744 CE LYS A 115 17.026 -2.597 -0.196 1.00 1.40 C ATOM 1745 NZ LYS A 115 17.218 -1.863 -1.479 1.00 2.68 N ATOM 0 H LYS A 115 18.618 1.955 1.155 1.00 0.23 H new ATOM 0 HA LYS A 115 20.411 -0.230 1.956 1.00 0.29 H new ATOM 0 HB2 LYS A 115 18.297 0.186 -0.177 1.00 0.26 H new ATOM 0 HB3 LYS A 115 19.304 -1.248 -0.160 1.00 0.26 H new ATOM 0 HG2 LYS A 115 18.527 -1.885 2.058 1.00 0.28 H new ATOM 0 HG3 LYS A 115 17.770 -0.326 2.317 1.00 0.28 H new ATOM 0 HD2 LYS A 115 16.088 -2.077 1.684 1.00 0.50 H new ATOM 0 HD3 LYS A 115 16.125 -0.765 0.523 1.00 0.50 H new ATOM 0 HE2 LYS A 115 17.926 -3.159 0.052 1.00 1.40 H new ATOM 0 HE3 LYS A 115 16.216 -3.320 -0.296 1.00 1.40 H new ATOM 0 HZ1 LYS A 115 16.616 -2.285 -2.214 1.00 2.68 H new ATOM 0 HZ2 LYS A 115 16.958 -0.864 -1.350 1.00 2.68 H new ATOM 0 HZ3 LYS A 115 18.215 -1.927 -1.770 1.00 2.68 H new ATOM 1759 N LEU A 116 21.930 1.532 0.388 1.00 0.34 N ATOM 1760 CA LEU A 116 23.063 1.896 -0.511 1.00 0.39 C ATOM 1761 C LEU A 116 24.247 0.969 -0.236 1.00 0.39 C ATOM 1762 O LEU A 116 24.507 0.586 0.887 1.00 0.51 O ATOM 1763 CB LEU A 116 23.425 3.389 -0.302 1.00 0.48 C ATOM 1764 CG LEU A 116 24.529 3.532 0.748 1.00 2.27 C ATOM 1765 CD1 LEU A 116 25.900 3.139 0.143 1.00 3.13 C ATOM 1766 CD2 LEU A 116 24.561 4.981 1.248 1.00 3.42 C ATOM 0 H LEU A 116 21.871 2.089 1.240 1.00 0.34 H new ATOM 0 HA LEU A 116 22.780 1.768 -1.556 1.00 0.39 H new ATOM 0 HB2 LEU A 116 23.754 3.825 -1.245 1.00 0.48 H new ATOM 0 HB3 LEU A 116 22.541 3.943 0.014 1.00 0.48 H new ATOM 0 HG LEU A 116 24.323 2.865 1.585 1.00 2.27 H new ATOM 0 HD11 LEU A 116 26.676 3.245 0.901 1.00 3.13 H new ATOM 0 HD12 LEU A 116 25.864 2.104 -0.197 1.00 3.13 H new ATOM 0 HD13 LEU A 116 26.125 3.791 -0.701 1.00 3.13 H new ATOM 0 HD21 LEU A 116 25.346 5.090 1.997 1.00 3.42 H new ATOM 0 HD22 LEU A 116 24.762 5.650 0.411 1.00 3.42 H new ATOM 0 HD23 LEU A 116 23.598 5.234 1.692 1.00 3.42 H new ATOM 1778 N THR A 117 24.993 0.652 -1.264 1.00 0.36 N ATOM 1779 CA THR A 117 26.204 -0.208 -1.105 1.00 0.31 C ATOM 1780 C THR A 117 27.435 0.684 -1.294 1.00 0.21 C ATOM 1781 O THR A 117 27.407 1.636 -2.049 1.00 0.18 O ATOM 1782 CB THR A 117 26.205 -1.313 -2.163 1.00 0.36 C ATOM 1783 OG1 THR A 117 26.251 -0.731 -3.457 1.00 0.32 O ATOM 1784 CG2 THR A 117 24.938 -2.159 -2.024 1.00 0.43 C ATOM 0 H THR A 117 24.811 0.957 -2.220 1.00 0.36 H new ATOM 0 HA THR A 117 26.211 -0.674 -0.120 1.00 0.31 H new ATOM 0 HB THR A 117 27.079 -1.949 -2.021 1.00 0.36 H new ATOM 0 HG1 THR A 117 25.404 -0.273 -3.640 1.00 0.32 H new ATOM 0 HG21 THR A 117 24.941 -2.945 -2.779 1.00 0.43 H new ATOM 0 HG22 THR A 117 24.908 -2.609 -1.032 1.00 0.43 H new ATOM 0 HG23 THR A 117 24.061 -1.527 -2.163 1.00 0.43 H new ATOM 1792 N ASP A 118 28.501 0.400 -0.608 1.00 0.17 N ATOM 1793 CA ASP A 118 29.719 1.251 -0.742 1.00 0.11 C ATOM 1794 C ASP A 118 30.103 1.406 -2.218 1.00 0.10 C ATOM 1795 O ASP A 118 30.814 2.319 -2.588 1.00 0.16 O ATOM 1796 CB ASP A 118 30.878 0.600 0.018 1.00 0.14 C ATOM 1797 CG ASP A 118 30.530 0.521 1.506 1.00 0.21 C ATOM 1798 OD1 ASP A 118 29.746 1.339 1.956 1.00 0.76 O ATOM 1799 OD2 ASP A 118 31.054 -0.359 2.169 1.00 1.12 O ATOM 0 H ASP A 118 28.586 -0.383 0.040 1.00 0.17 H new ATOM 0 HA ASP A 118 29.509 2.237 -0.327 1.00 0.11 H new ATOM 0 HB2 ASP A 118 31.070 -0.398 -0.375 1.00 0.14 H new ATOM 0 HB3 ASP A 118 31.791 1.179 -0.123 1.00 0.14 H new ATOM 1804 N GLU A 119 29.648 0.523 -3.063 1.00 0.17 N ATOM 1805 CA GLU A 119 30.004 0.632 -4.510 1.00 0.24 C ATOM 1806 C GLU A 119 29.190 1.751 -5.167 1.00 0.25 C ATOM 1807 O GLU A 119 29.725 2.607 -5.848 1.00 0.26 O ATOM 1808 CB GLU A 119 29.700 -0.694 -5.214 1.00 0.31 C ATOM 1809 CG GLU A 119 30.673 -1.771 -4.723 1.00 0.36 C ATOM 1810 CD GLU A 119 30.376 -2.101 -3.258 1.00 1.20 C ATOM 1811 OE1 GLU A 119 29.317 -2.648 -2.998 1.00 1.65 O ATOM 1812 OE2 GLU A 119 31.213 -1.804 -2.422 1.00 2.27 O ATOM 0 H GLU A 119 29.049 -0.265 -2.819 1.00 0.17 H new ATOM 0 HA GLU A 119 31.066 0.860 -4.598 1.00 0.24 H new ATOM 0 HB2 GLU A 119 28.673 -0.998 -5.012 1.00 0.31 H new ATOM 0 HB3 GLU A 119 29.790 -0.573 -6.294 1.00 0.31 H new ATOM 0 HG2 GLU A 119 30.578 -2.668 -5.335 1.00 0.36 H new ATOM 0 HG3 GLU A 119 31.700 -1.422 -4.827 1.00 0.36 H new ATOM 1819 N GLU A 120 27.900 1.750 -4.975 1.00 0.26 N ATOM 1820 CA GLU A 120 27.053 2.807 -5.596 1.00 0.29 C ATOM 1821 C GLU A 120 27.603 4.190 -5.236 1.00 0.24 C ATOM 1822 O GLU A 120 27.585 5.100 -6.039 1.00 0.29 O ATOM 1823 CB GLU A 120 25.616 2.684 -5.076 1.00 0.30 C ATOM 1824 CG GLU A 120 24.915 1.508 -5.767 1.00 0.41 C ATOM 1825 CD GLU A 120 23.662 1.125 -4.977 1.00 0.54 C ATOM 1826 OE1 GLU A 120 23.778 0.929 -3.779 1.00 0.66 O ATOM 1827 OE2 GLU A 120 22.606 1.036 -5.584 1.00 0.69 O ATOM 0 H GLU A 120 27.396 1.063 -4.415 1.00 0.26 H new ATOM 0 HA GLU A 120 27.064 2.683 -6.679 1.00 0.29 H new ATOM 0 HB2 GLU A 120 25.621 2.533 -3.996 1.00 0.30 H new ATOM 0 HB3 GLU A 120 25.070 3.608 -5.266 1.00 0.30 H new ATOM 0 HG2 GLU A 120 24.645 1.780 -6.787 1.00 0.41 H new ATOM 0 HG3 GLU A 120 25.591 0.656 -5.833 1.00 0.41 H new ATOM 1834 N VAL A 121 28.079 4.356 -4.034 1.00 0.16 N ATOM 1835 CA VAL A 121 28.616 5.684 -3.620 1.00 0.16 C ATOM 1836 C VAL A 121 29.937 5.961 -4.341 1.00 0.18 C ATOM 1837 O VAL A 121 30.223 7.080 -4.719 1.00 0.15 O ATOM 1838 CB VAL A 121 28.813 5.681 -2.094 1.00 0.18 C ATOM 1839 CG1 VAL A 121 29.779 6.790 -1.668 1.00 0.13 C ATOM 1840 CG2 VAL A 121 27.459 5.917 -1.417 1.00 0.36 C ATOM 0 H VAL A 121 28.120 3.630 -3.319 1.00 0.16 H new ATOM 0 HA VAL A 121 27.915 6.474 -3.890 1.00 0.16 H new ATOM 0 HB VAL A 121 29.229 4.719 -1.797 1.00 0.18 H new ATOM 0 HG11 VAL A 121 29.903 6.769 -0.585 1.00 0.13 H new ATOM 0 HG12 VAL A 121 30.746 6.634 -2.147 1.00 0.13 H new ATOM 0 HG13 VAL A 121 29.377 7.758 -1.968 1.00 0.13 H new ATOM 0 HG21 VAL A 121 27.588 5.917 -0.335 1.00 0.36 H new ATOM 0 HG22 VAL A 121 27.057 6.879 -1.734 1.00 0.36 H new ATOM 0 HG23 VAL A 121 26.767 5.123 -1.700 1.00 0.36 H new ATOM 1850 N ASP A 122 30.742 4.963 -4.533 1.00 0.22 N ATOM 1851 CA ASP A 122 32.040 5.190 -5.231 1.00 0.25 C ATOM 1852 C ASP A 122 31.780 5.907 -6.560 1.00 0.24 C ATOM 1853 O ASP A 122 32.557 6.734 -6.990 1.00 0.23 O ATOM 1854 CB ASP A 122 32.733 3.851 -5.491 1.00 0.32 C ATOM 1855 CG ASP A 122 33.315 3.313 -4.184 1.00 0.31 C ATOM 1856 OD1 ASP A 122 32.733 3.579 -3.145 1.00 0.99 O ATOM 1857 OD2 ASP A 122 34.334 2.645 -4.244 1.00 1.28 O ATOM 0 H ASP A 122 30.564 4.002 -4.241 1.00 0.22 H new ATOM 0 HA ASP A 122 32.686 5.805 -4.605 1.00 0.25 H new ATOM 0 HB2 ASP A 122 32.022 3.136 -5.906 1.00 0.32 H new ATOM 0 HB3 ASP A 122 33.525 3.977 -6.229 1.00 0.32 H new ATOM 1862 N GLU A 123 30.687 5.600 -7.209 1.00 0.26 N ATOM 1863 CA GLU A 123 30.377 6.276 -8.499 1.00 0.28 C ATOM 1864 C GLU A 123 29.958 7.720 -8.184 1.00 0.23 C ATOM 1865 O GLU A 123 30.399 8.664 -8.807 1.00 0.21 O ATOM 1866 CB GLU A 123 29.248 5.478 -9.215 1.00 0.33 C ATOM 1867 CG GLU A 123 28.072 6.378 -9.616 1.00 1.52 C ATOM 1868 CD GLU A 123 27.059 5.564 -10.423 1.00 1.78 C ATOM 1869 OE1 GLU A 123 27.482 4.699 -11.169 1.00 1.24 O ATOM 1870 OE2 GLU A 123 25.875 5.822 -10.277 1.00 2.89 O ATOM 0 H GLU A 123 29.999 4.913 -6.901 1.00 0.26 H new ATOM 0 HA GLU A 123 31.239 6.305 -9.166 1.00 0.28 H new ATOM 0 HB2 GLU A 123 29.654 4.995 -10.104 1.00 0.33 H new ATOM 0 HB3 GLU A 123 28.890 4.686 -8.557 1.00 0.33 H new ATOM 0 HG2 GLU A 123 27.597 6.791 -8.726 1.00 1.52 H new ATOM 0 HG3 GLU A 123 28.430 7.221 -10.207 1.00 1.52 H new ATOM 1877 N MET A 124 29.111 7.882 -7.210 1.00 0.27 N ATOM 1878 CA MET A 124 28.653 9.243 -6.822 1.00 0.23 C ATOM 1879 C MET A 124 29.866 10.091 -6.420 1.00 0.20 C ATOM 1880 O MET A 124 29.867 11.298 -6.565 1.00 0.21 O ATOM 1881 CB MET A 124 27.670 9.121 -5.669 1.00 0.19 C ATOM 1882 CG MET A 124 26.441 8.312 -6.111 1.00 0.23 C ATOM 1883 SD MET A 124 25.063 8.651 -4.976 1.00 0.55 S ATOM 1884 CE MET A 124 24.793 6.967 -4.361 1.00 1.06 C ATOM 0 H MET A 124 28.712 7.122 -6.660 1.00 0.27 H new ATOM 0 HA MET A 124 28.154 9.731 -7.660 1.00 0.23 H new ATOM 0 HB2 MET A 124 28.150 8.634 -4.820 1.00 0.19 H new ATOM 0 HB3 MET A 124 27.363 10.112 -5.336 1.00 0.19 H new ATOM 0 HG2 MET A 124 26.162 8.579 -7.130 1.00 0.23 H new ATOM 0 HG3 MET A 124 26.673 7.247 -6.113 1.00 0.23 H new ATOM 0 HE1 MET A 124 23.843 6.922 -3.828 1.00 1.06 H new ATOM 0 HE2 MET A 124 24.771 6.272 -5.201 1.00 1.06 H new ATOM 0 HE3 MET A 124 25.602 6.693 -3.684 1.00 1.06 H new ATOM 1894 N ILE A 125 30.902 9.467 -5.929 1.00 0.19 N ATOM 1895 CA ILE A 125 32.127 10.227 -5.530 1.00 0.18 C ATOM 1896 C ILE A 125 32.950 10.587 -6.782 1.00 0.21 C ATOM 1897 O ILE A 125 33.654 11.578 -6.804 1.00 0.23 O ATOM 1898 CB ILE A 125 32.964 9.353 -4.579 1.00 0.17 C ATOM 1899 CG1 ILE A 125 32.242 9.281 -3.225 1.00 0.16 C ATOM 1900 CG2 ILE A 125 34.363 9.962 -4.394 1.00 0.17 C ATOM 1901 CD1 ILE A 125 33.008 8.377 -2.251 1.00 0.11 C ATOM 0 H ILE A 125 30.955 8.459 -5.785 1.00 0.19 H new ATOM 0 HA ILE A 125 31.843 11.150 -5.024 1.00 0.18 H new ATOM 0 HB ILE A 125 33.077 8.353 -4.998 1.00 0.17 H new ATOM 0 HG12 ILE A 125 32.148 10.282 -2.803 1.00 0.16 H new ATOM 0 HG13 ILE A 125 31.231 8.898 -3.366 1.00 0.16 H new ATOM 0 HG21 ILE A 125 34.946 9.335 -3.719 1.00 0.17 H new ATOM 0 HG22 ILE A 125 34.865 10.021 -5.360 1.00 0.17 H new ATOM 0 HG23 ILE A 125 34.271 10.963 -3.972 1.00 0.17 H new ATOM 0 HD11 ILE A 125 32.480 8.339 -1.298 1.00 0.11 H new ATOM 0 HD12 ILE A 125 33.079 7.372 -2.667 1.00 0.11 H new ATOM 0 HD13 ILE A 125 34.010 8.777 -2.095 1.00 0.11 H new ATOM 1913 N ARG A 126 32.884 9.788 -7.813 1.00 0.22 N ATOM 1914 CA ARG A 126 33.676 10.083 -9.045 1.00 0.25 C ATOM 1915 C ARG A 126 33.266 11.443 -9.629 1.00 0.26 C ATOM 1916 O ARG A 126 34.105 12.278 -9.907 1.00 0.27 O ATOM 1917 CB ARG A 126 33.440 8.969 -10.084 1.00 0.28 C ATOM 1918 CG ARG A 126 34.434 7.813 -9.861 1.00 0.06 C ATOM 1919 CD ARG A 126 35.876 8.258 -10.204 1.00 1.50 C ATOM 1920 NE ARG A 126 36.560 7.203 -11.023 1.00 1.78 N ATOM 1921 CZ ARG A 126 36.516 5.941 -10.680 1.00 1.08 C ATOM 1922 NH1 ARG A 126 35.953 5.576 -9.563 1.00 0.48 N ATOM 1923 NH2 ARG A 126 37.069 5.041 -11.448 1.00 1.74 N ATOM 0 H ARG A 126 32.315 8.942 -7.857 1.00 0.22 H new ATOM 0 HA ARG A 126 34.735 10.122 -8.789 1.00 0.25 H new ATOM 0 HB2 ARG A 126 32.418 8.599 -10.005 1.00 0.28 H new ATOM 0 HB3 ARG A 126 33.557 9.370 -11.091 1.00 0.28 H new ATOM 0 HG2 ARG A 126 34.387 7.482 -8.824 1.00 0.06 H new ATOM 0 HG3 ARG A 126 34.154 6.961 -10.481 1.00 0.06 H new ATOM 0 HD2 ARG A 126 35.853 9.199 -10.754 1.00 1.50 H new ATOM 0 HD3 ARG A 126 36.437 8.438 -9.287 1.00 1.50 H new ATOM 0 HE ARG A 126 37.069 7.475 -11.864 1.00 1.78 H new ATOM 0 HH11 ARG A 126 35.541 6.277 -8.947 1.00 0.48 H new ATOM 0 HH12 ARG A 126 35.924 4.590 -9.305 1.00 0.48 H new ATOM 0 HH21 ARG A 126 37.533 5.323 -12.312 1.00 1.74 H new ATOM 0 HH22 ARG A 126 37.037 4.056 -11.184 1.00 1.74 H new ATOM 1937 N GLU A 127 31.997 11.674 -9.837 1.00 0.26 N ATOM 1938 CA GLU A 127 31.576 12.982 -10.432 1.00 0.29 C ATOM 1939 C GLU A 127 31.562 14.081 -9.351 1.00 0.25 C ATOM 1940 O GLU A 127 31.635 15.256 -9.662 1.00 0.26 O ATOM 1941 CB GLU A 127 30.176 12.838 -11.060 1.00 0.31 C ATOM 1942 CG GLU A 127 30.298 12.201 -12.449 1.00 0.35 C ATOM 1943 CD GLU A 127 28.916 11.752 -12.931 1.00 1.00 C ATOM 1944 OE1 GLU A 127 28.036 12.594 -13.008 1.00 1.56 O ATOM 1945 OE2 GLU A 127 28.762 10.576 -13.214 1.00 1.63 O ATOM 0 H GLU A 127 31.240 11.024 -9.625 1.00 0.26 H new ATOM 0 HA GLU A 127 32.289 13.267 -11.206 1.00 0.29 H new ATOM 0 HB2 GLU A 127 29.542 12.223 -10.421 1.00 0.31 H new ATOM 0 HB3 GLU A 127 29.699 13.815 -11.138 1.00 0.31 H new ATOM 0 HG2 GLU A 127 30.725 12.916 -13.152 1.00 0.35 H new ATOM 0 HG3 GLU A 127 30.976 11.348 -12.411 1.00 0.35 H new ATOM 1952 N ALA A 128 31.523 13.725 -8.092 1.00 0.22 N ATOM 1953 CA ALA A 128 31.567 14.743 -7.018 1.00 0.18 C ATOM 1954 C ALA A 128 33.024 14.948 -6.666 1.00 0.16 C ATOM 1955 O ALA A 128 33.490 14.423 -5.684 1.00 0.15 O ATOM 1956 CB ALA A 128 30.837 14.261 -5.772 1.00 0.16 C ATOM 0 H ALA A 128 31.462 12.760 -7.767 1.00 0.22 H new ATOM 0 HA ALA A 128 31.088 15.660 -7.362 1.00 0.18 H new ATOM 0 HB1 ALA A 128 30.887 15.030 -5.001 1.00 0.16 H new ATOM 0 HB2 ALA A 128 29.794 14.059 -6.017 1.00 0.16 H new ATOM 0 HB3 ALA A 128 31.307 13.349 -5.405 1.00 0.16 H new ATOM 1962 N ASP A 129 33.730 15.663 -7.484 1.00 0.16 N ATOM 1963 CA ASP A 129 35.209 15.898 -7.250 1.00 0.13 C ATOM 1964 C ASP A 129 35.450 16.101 -5.751 1.00 0.11 C ATOM 1965 O ASP A 129 35.498 17.205 -5.246 1.00 0.08 O ATOM 1966 CB ASP A 129 35.690 17.148 -8.012 1.00 0.09 C ATOM 1967 CG ASP A 129 37.141 17.452 -7.629 1.00 1.84 C ATOM 1968 OD1 ASP A 129 37.994 16.627 -7.916 1.00 2.71 O ATOM 1969 OD2 ASP A 129 37.374 18.505 -7.059 1.00 2.81 O ATOM 0 H ASP A 129 33.357 16.109 -8.322 1.00 0.16 H new ATOM 0 HA ASP A 129 35.764 15.033 -7.612 1.00 0.13 H new ATOM 0 HB2 ASP A 129 35.613 16.984 -9.087 1.00 0.09 H new ATOM 0 HB3 ASP A 129 35.053 18.000 -7.773 1.00 0.09 H new ATOM 1974 N ILE A 130 35.536 15.010 -5.051 1.00 0.14 N ATOM 1975 CA ILE A 130 35.698 15.034 -3.573 1.00 0.13 C ATOM 1976 C ILE A 130 37.153 15.259 -3.167 1.00 0.12 C ATOM 1977 O ILE A 130 37.494 15.319 -2.001 1.00 0.27 O ATOM 1978 CB ILE A 130 35.176 13.675 -3.065 1.00 0.13 C ATOM 1979 CG1 ILE A 130 33.599 13.685 -2.965 1.00 0.14 C ATOM 1980 CG2 ILE A 130 35.854 13.280 -1.748 1.00 0.14 C ATOM 1981 CD1 ILE A 130 33.093 13.168 -1.603 1.00 0.12 C ATOM 0 H ILE A 130 35.500 14.073 -5.453 1.00 0.14 H new ATOM 0 HA ILE A 130 35.141 15.861 -3.133 1.00 0.13 H new ATOM 0 HB ILE A 130 35.441 12.905 -3.790 1.00 0.13 H new ATOM 0 HG12 ILE A 130 33.234 14.700 -3.124 1.00 0.14 H new ATOM 0 HG13 ILE A 130 33.183 13.068 -3.762 1.00 0.14 H new ATOM 0 HG21 ILE A 130 35.466 12.318 -1.414 1.00 0.14 H new ATOM 0 HG22 ILE A 130 36.930 13.204 -1.901 1.00 0.14 H new ATOM 0 HG23 ILE A 130 35.648 14.037 -0.991 1.00 0.14 H new ATOM 0 HD11 ILE A 130 32.003 13.195 -1.585 1.00 0.12 H new ATOM 0 HD12 ILE A 130 33.433 12.143 -1.454 1.00 0.12 H new ATOM 0 HD13 ILE A 130 33.484 13.800 -0.806 1.00 0.12 H new ATOM 2024 N GLY A 134 39.009 18.820 -0.119 1.00 0.19 N ATOM 2025 CA GLY A 134 39.047 18.002 1.132 1.00 0.19 C ATOM 2026 C GLY A 134 37.654 17.972 1.764 1.00 0.20 C ATOM 2027 O GLY A 134 37.284 17.027 2.430 1.00 0.24 O ATOM 0 HA2 GLY A 134 39.378 16.988 0.906 1.00 0.19 H new ATOM 0 HA3 GLY A 134 39.767 18.424 1.833 1.00 0.19 H new ATOM 2031 N GLN A 135 36.882 19.007 1.550 1.00 0.18 N ATOM 2032 CA GLN A 135 35.497 19.073 2.117 1.00 0.20 C ATOM 2033 C GLN A 135 34.508 19.305 0.972 1.00 0.17 C ATOM 2034 O GLN A 135 34.847 19.900 -0.032 1.00 0.15 O ATOM 2035 CB GLN A 135 35.416 20.234 3.112 1.00 0.28 C ATOM 2036 CG GLN A 135 36.654 20.223 4.021 1.00 0.51 C ATOM 2037 CD GLN A 135 36.359 20.992 5.313 1.00 0.62 C ATOM 2038 OE1 GLN A 135 36.062 20.397 6.331 1.00 1.31 O ATOM 2039 NE2 GLN A 135 36.427 22.295 5.315 1.00 0.43 N ATOM 0 H GLN A 135 37.155 19.821 0.999 1.00 0.18 H new ATOM 0 HA GLN A 135 35.254 18.142 2.630 1.00 0.20 H new ATOM 0 HB2 GLN A 135 35.354 21.181 2.576 1.00 0.28 H new ATOM 0 HB3 GLN A 135 34.511 20.148 3.713 1.00 0.28 H new ATOM 0 HG2 GLN A 135 36.935 19.196 4.255 1.00 0.51 H new ATOM 0 HG3 GLN A 135 37.500 20.675 3.503 1.00 0.51 H new ATOM 0 HE21 GLN A 135 36.676 22.794 4.461 1.00 0.43 H new ATOM 0 HE22 GLN A 135 36.231 22.815 6.171 1.00 0.43 H new ATOM 2048 N VAL A 136 33.295 18.825 1.097 1.00 0.23 N ATOM 2049 CA VAL A 136 32.301 19.000 -0.001 1.00 0.24 C ATOM 2050 C VAL A 136 30.923 19.281 0.601 1.00 0.35 C ATOM 2051 O VAL A 136 30.586 18.795 1.663 1.00 0.39 O ATOM 2052 CB VAL A 136 32.228 17.688 -0.803 1.00 0.16 C ATOM 2053 CG1 VAL A 136 31.764 17.938 -2.247 1.00 0.19 C ATOM 2054 CG2 VAL A 136 33.601 17.019 -0.825 1.00 0.10 C ATOM 0 H VAL A 136 32.952 18.319 1.914 1.00 0.23 H new ATOM 0 HA VAL A 136 32.598 19.829 -0.643 1.00 0.24 H new ATOM 0 HB VAL A 136 31.502 17.038 -0.315 1.00 0.16 H new ATOM 0 HG11 VAL A 136 31.723 16.991 -2.785 1.00 0.19 H new ATOM 0 HG12 VAL A 136 30.773 18.393 -2.237 1.00 0.19 H new ATOM 0 HG13 VAL A 136 32.466 18.608 -2.744 1.00 0.19 H new ATOM 0 HG21 VAL A 136 33.544 16.091 -1.394 1.00 0.10 H new ATOM 0 HG22 VAL A 136 34.324 17.687 -1.292 1.00 0.10 H new ATOM 0 HG23 VAL A 136 33.916 16.801 0.195 1.00 0.10 H new ATOM 2064 N ASN A 137 30.109 20.019 -0.092 1.00 0.41 N ATOM 2065 CA ASN A 137 28.736 20.280 0.409 1.00 0.51 C ATOM 2066 C ASN A 137 27.888 19.053 0.049 1.00 0.48 C ATOM 2067 O ASN A 137 28.365 18.134 -0.588 1.00 0.86 O ATOM 2068 CB ASN A 137 28.181 21.566 -0.232 1.00 0.62 C ATOM 2069 CG ASN A 137 26.649 21.555 -0.230 1.00 1.45 C ATOM 2070 OD1 ASN A 137 26.038 20.908 -1.054 1.00 1.51 O ATOM 2071 ND2 ASN A 137 26.004 22.249 0.668 1.00 2.37 N ATOM 0 H ASN A 137 30.335 20.454 -0.986 1.00 0.41 H new ATOM 0 HA ASN A 137 28.723 20.434 1.488 1.00 0.51 H new ATOM 0 HB2 ASN A 137 28.544 22.436 0.314 1.00 0.62 H new ATOM 0 HB3 ASN A 137 28.548 21.656 -1.255 1.00 0.62 H new ATOM 0 HD21 ASN A 137 24.984 22.248 0.678 1.00 2.37 H new ATOM 0 HD22 ASN A 137 26.520 22.792 1.360 1.00 2.37 H new ATOM 2078 N TYR A 138 26.658 19.009 0.483 1.00 0.35 N ATOM 2079 CA TYR A 138 25.789 17.810 0.206 1.00 0.30 C ATOM 2080 C TYR A 138 24.715 18.090 -0.870 1.00 0.24 C ATOM 2081 O TYR A 138 24.309 17.175 -1.553 1.00 0.14 O ATOM 2082 CB TYR A 138 25.112 17.385 1.525 1.00 0.35 C ATOM 2083 CG TYR A 138 24.889 18.603 2.397 1.00 0.25 C ATOM 2084 CD1 TYR A 138 25.949 19.135 3.143 1.00 0.96 C ATOM 2085 CD2 TYR A 138 23.626 19.203 2.450 1.00 1.02 C ATOM 2086 CE1 TYR A 138 25.741 20.267 3.939 1.00 1.13 C ATOM 2087 CE2 TYR A 138 23.418 20.329 3.249 1.00 0.86 C ATOM 2088 CZ TYR A 138 24.474 20.863 3.993 1.00 0.35 C ATOM 2089 OH TYR A 138 24.267 21.977 4.780 1.00 0.48 O ATOM 0 H TYR A 138 26.208 19.750 1.020 1.00 0.35 H new ATOM 0 HA TYR A 138 26.422 17.013 -0.184 1.00 0.30 H new ATOM 0 HB2 TYR A 138 24.161 16.896 1.316 1.00 0.35 H new ATOM 0 HB3 TYR A 138 25.735 16.660 2.048 1.00 0.35 H new ATOM 0 HD1 TYR A 138 26.924 18.673 3.104 1.00 0.96 H new ATOM 0 HD2 TYR A 138 22.810 18.794 1.872 1.00 1.02 H new ATOM 0 HE1 TYR A 138 26.557 20.681 4.512 1.00 1.13 H new ATOM 0 HE2 TYR A 138 22.441 20.787 3.292 1.00 0.86 H new ATOM 0 HH TYR A 138 23.333 22.264 4.702 1.00 0.48 H new ATOM 2099 N GLU A 139 24.232 19.308 -1.021 1.00 0.33 N ATOM 2100 CA GLU A 139 23.164 19.581 -2.043 1.00 0.29 C ATOM 2101 C GLU A 139 23.437 18.789 -3.333 1.00 0.19 C ATOM 2102 O GLU A 139 22.540 18.206 -3.907 1.00 0.16 O ATOM 2103 CB GLU A 139 23.116 21.105 -2.348 1.00 0.32 C ATOM 2104 CG GLU A 139 21.839 21.735 -1.768 1.00 1.26 C ATOM 2105 CD GLU A 139 21.857 23.243 -2.023 1.00 1.39 C ATOM 2106 OE1 GLU A 139 22.916 23.835 -1.881 1.00 1.32 O ATOM 2107 OE2 GLU A 139 20.815 23.779 -2.357 1.00 1.98 O ATOM 0 H GLU A 139 24.531 20.121 -0.482 1.00 0.33 H new ATOM 0 HA GLU A 139 22.201 19.262 -1.644 1.00 0.29 H new ATOM 0 HB2 GLU A 139 23.993 21.594 -1.924 1.00 0.32 H new ATOM 0 HB3 GLU A 139 23.150 21.267 -3.425 1.00 0.32 H new ATOM 0 HG2 GLU A 139 20.958 21.288 -2.228 1.00 1.26 H new ATOM 0 HG3 GLU A 139 21.776 21.536 -0.698 1.00 1.26 H new ATOM 2114 N GLU A 140 24.657 18.751 -3.784 1.00 0.19 N ATOM 2115 CA GLU A 140 24.948 17.982 -5.025 1.00 0.13 C ATOM 2116 C GLU A 140 24.807 16.486 -4.731 1.00 0.11 C ATOM 2117 O GLU A 140 24.267 15.734 -5.520 1.00 0.07 O ATOM 2118 CB GLU A 140 26.375 18.280 -5.491 1.00 0.20 C ATOM 2119 CG GLU A 140 26.588 17.683 -6.884 1.00 1.35 C ATOM 2120 CD GLU A 140 28.022 17.955 -7.343 1.00 1.72 C ATOM 2121 OE1 GLU A 140 28.583 18.949 -6.912 1.00 1.59 O ATOM 2122 OE2 GLU A 140 28.535 17.164 -8.115 1.00 2.71 O ATOM 0 H GLU A 140 25.458 19.213 -3.354 1.00 0.19 H new ATOM 0 HA GLU A 140 24.247 18.271 -5.809 1.00 0.13 H new ATOM 0 HB2 GLU A 140 26.545 19.356 -5.514 1.00 0.20 H new ATOM 0 HB3 GLU A 140 27.094 17.859 -4.789 1.00 0.20 H new ATOM 0 HG2 GLU A 140 26.399 16.610 -6.864 1.00 1.35 H new ATOM 0 HG3 GLU A 140 25.880 18.118 -7.590 1.00 1.35 H new ATOM 2129 N PHE A 141 25.298 16.049 -3.602 1.00 0.15 N ATOM 2130 CA PHE A 141 25.204 14.601 -3.255 1.00 0.13 C ATOM 2131 C PHE A 141 23.750 14.235 -2.908 1.00 0.12 C ATOM 2132 O PHE A 141 23.356 13.092 -3.006 1.00 0.11 O ATOM 2133 CB PHE A 141 26.148 14.293 -2.057 1.00 0.14 C ATOM 2134 CG PHE A 141 27.273 13.378 -2.498 1.00 0.13 C ATOM 2135 CD1 PHE A 141 27.019 12.017 -2.688 1.00 0.19 C ATOM 2136 CD2 PHE A 141 28.559 13.887 -2.719 1.00 0.12 C ATOM 2137 CE1 PHE A 141 28.049 11.167 -3.096 1.00 0.18 C ATOM 2138 CE2 PHE A 141 29.590 13.021 -3.132 1.00 0.11 C ATOM 2139 CZ PHE A 141 29.327 11.669 -3.317 1.00 0.12 C ATOM 0 H PHE A 141 25.760 16.632 -2.905 1.00 0.15 H new ATOM 0 HA PHE A 141 25.513 14.001 -4.111 1.00 0.13 H new ATOM 0 HB2 PHE A 141 26.559 15.221 -1.661 1.00 0.14 H new ATOM 0 HB3 PHE A 141 25.583 13.825 -1.251 1.00 0.14 H new ATOM 0 HD1 PHE A 141 26.028 11.623 -2.520 1.00 0.19 H new ATOM 0 HD2 PHE A 141 28.759 14.938 -2.573 1.00 0.12 H new ATOM 0 HE1 PHE A 141 27.852 10.115 -3.241 1.00 0.18 H new ATOM 0 HE2 PHE A 141 30.584 13.407 -3.305 1.00 0.11 H new ATOM 0 HZ PHE A 141 30.118 11.006 -3.634 1.00 0.12 H new ATOM 2149 N VAL A 142 22.951 15.188 -2.513 1.00 0.13 N ATOM 2150 CA VAL A 142 21.535 14.868 -2.176 1.00 0.14 C ATOM 2151 C VAL A 142 20.780 14.533 -3.464 1.00 0.12 C ATOM 2152 O VAL A 142 20.003 13.600 -3.522 1.00 0.19 O ATOM 2153 CB VAL A 142 20.864 16.079 -1.521 1.00 0.17 C ATOM 2154 CG1 VAL A 142 19.399 15.734 -1.226 1.00 0.18 C ATOM 2155 CG2 VAL A 142 21.602 16.454 -0.213 1.00 0.14 C ATOM 0 H VAL A 142 23.215 16.168 -2.409 1.00 0.13 H new ATOM 0 HA VAL A 142 21.515 14.023 -1.488 1.00 0.14 H new ATOM 0 HB VAL A 142 20.909 16.934 -2.195 1.00 0.17 H new ATOM 0 HG11 VAL A 142 18.911 16.589 -0.759 1.00 0.18 H new ATOM 0 HG12 VAL A 142 18.888 15.488 -2.157 1.00 0.18 H new ATOM 0 HG13 VAL A 142 19.355 14.879 -0.552 1.00 0.18 H new ATOM 0 HG21 VAL A 142 21.117 17.316 0.244 1.00 0.14 H new ATOM 0 HG22 VAL A 142 21.570 15.611 0.477 1.00 0.14 H new ATOM 0 HG23 VAL A 142 22.640 16.699 -0.438 1.00 0.14 H new ATOM 2165 N GLN A 143 20.996 15.309 -4.493 1.00 0.05 N ATOM 2166 CA GLN A 143 20.291 15.073 -5.785 1.00 0.11 C ATOM 2167 C GLN A 143 20.697 13.720 -6.375 1.00 0.08 C ATOM 2168 O GLN A 143 19.903 13.050 -7.007 1.00 0.17 O ATOM 2169 CB GLN A 143 20.662 16.184 -6.771 1.00 0.21 C ATOM 2170 CG GLN A 143 20.130 17.521 -6.254 1.00 0.35 C ATOM 2171 CD GLN A 143 18.603 17.534 -6.347 1.00 1.40 C ATOM 2172 OE1 GLN A 143 18.029 16.855 -7.174 1.00 2.18 O ATOM 2173 NE2 GLN A 143 17.919 18.281 -5.526 1.00 2.24 N ATOM 0 H GLN A 143 21.636 16.103 -4.493 1.00 0.05 H new ATOM 0 HA GLN A 143 19.216 15.073 -5.607 1.00 0.11 H new ATOM 0 HB2 GLN A 143 21.744 16.233 -6.891 1.00 0.21 H new ATOM 0 HB3 GLN A 143 20.242 15.968 -7.754 1.00 0.21 H new ATOM 0 HG2 GLN A 143 20.443 17.674 -5.221 1.00 0.35 H new ATOM 0 HG3 GLN A 143 20.547 18.341 -6.838 1.00 0.35 H new ATOM 0 HE21 GLN A 143 18.402 18.851 -4.832 1.00 2.24 H new ATOM 0 HE22 GLN A 143 16.900 18.296 -5.578 1.00 2.24 H new ATOM 2182 N MET A 144 21.921 13.316 -6.188 1.00 0.14 N ATOM 2183 CA MET A 144 22.363 12.008 -6.756 1.00 0.20 C ATOM 2184 C MET A 144 21.706 10.859 -5.980 1.00 0.18 C ATOM 2185 O MET A 144 21.285 9.876 -6.555 1.00 0.31 O ATOM 2186 CB MET A 144 23.899 11.888 -6.671 1.00 0.29 C ATOM 2187 CG MET A 144 24.573 12.628 -7.840 1.00 0.38 C ATOM 2188 SD MET A 144 26.264 12.010 -8.041 1.00 1.34 S ATOM 2189 CE MET A 144 27.093 13.247 -7.014 1.00 1.15 C ATOM 0 H MET A 144 22.633 13.830 -5.670 1.00 0.14 H new ATOM 0 HA MET A 144 22.062 11.953 -7.802 1.00 0.20 H new ATOM 0 HB2 MET A 144 24.248 12.301 -5.724 1.00 0.29 H new ATOM 0 HB3 MET A 144 24.187 10.837 -6.686 1.00 0.29 H new ATOM 0 HG2 MET A 144 24.006 12.475 -8.758 1.00 0.38 H new ATOM 0 HG3 MET A 144 24.586 13.701 -7.648 1.00 0.38 H new ATOM 0 HE1 MET A 144 27.627 13.951 -7.652 1.00 1.15 H new ATOM 0 HE2 MET A 144 26.352 13.784 -6.421 1.00 1.15 H new ATOM 0 HE3 MET A 144 27.801 12.752 -6.349 1.00 1.15 H new ATOM 2199 N MET A 145 21.614 10.972 -4.686 1.00 0.10 N ATOM 2200 CA MET A 145 20.983 9.881 -3.889 1.00 0.21 C ATOM 2201 C MET A 145 19.506 9.751 -4.274 1.00 0.28 C ATOM 2202 O MET A 145 18.888 8.728 -4.058 1.00 0.41 O ATOM 2203 CB MET A 145 21.096 10.216 -2.395 1.00 0.28 C ATOM 2204 CG MET A 145 22.564 10.072 -1.911 1.00 0.18 C ATOM 2205 SD MET A 145 22.661 8.860 -0.562 1.00 0.10 S ATOM 2206 CE MET A 145 21.985 9.891 0.764 1.00 0.22 C ATOM 0 H MET A 145 21.947 11.770 -4.145 1.00 0.10 H new ATOM 0 HA MET A 145 21.492 8.939 -4.093 1.00 0.21 H new ATOM 0 HB2 MET A 145 20.747 11.233 -2.218 1.00 0.28 H new ATOM 0 HB3 MET A 145 20.451 9.553 -1.819 1.00 0.28 H new ATOM 0 HG2 MET A 145 23.199 9.757 -2.739 1.00 0.18 H new ATOM 0 HG3 MET A 145 22.939 11.037 -1.571 1.00 0.18 H new ATOM 0 HE1 MET A 145 22.350 9.532 1.726 1.00 0.22 H new ATOM 0 HE2 MET A 145 22.301 10.924 0.619 1.00 0.22 H new ATOM 0 HE3 MET A 145 20.896 9.839 0.747 1.00 0.22 H new ATOM 2216 N THR A 146 18.935 10.781 -4.843 1.00 0.21 N ATOM 2217 CA THR A 146 17.514 10.730 -5.239 1.00 0.27 C ATOM 2218 C THR A 146 17.396 10.038 -6.596 1.00 0.28 C ATOM 2219 O THR A 146 16.936 8.918 -6.701 1.00 0.51 O ATOM 2220 CB THR A 146 17.017 12.188 -5.314 1.00 0.24 C ATOM 2221 OG1 THR A 146 18.141 13.055 -5.264 1.00 0.19 O ATOM 2222 CG2 THR A 146 16.094 12.506 -4.134 1.00 0.35 C ATOM 0 H THR A 146 19.407 11.662 -5.049 1.00 0.21 H new ATOM 0 HA THR A 146 16.913 10.167 -4.525 1.00 0.27 H new ATOM 0 HB THR A 146 16.462 12.326 -6.242 1.00 0.24 H new ATOM 0 HG1 THR A 146 18.427 13.272 -6.176 1.00 0.19 H new ATOM 0 HG21 THR A 146 15.755 13.539 -4.206 1.00 0.35 H new ATOM 0 HG22 THR A 146 15.232 11.839 -4.156 1.00 0.35 H new ATOM 0 HG23 THR A 146 16.637 12.367 -3.199 1.00 0.35 H new