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 Set 1.1: A 109 MET CE :methyl 179:sc= -2.93 (180deg=-2.96) USER MOD Set 1.2: A 124 MET CE :methyl -144:sc= -0.0791 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.99!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 13:sc= 0.611 USER MOD Single : A 21 LYS NZ :NH3+ -154:sc= -1.47 (180deg=-1.88) USER MOD Single : A 26 THR OG1 : rot -123:sc= 0.0402 USER MOD Single : A 28 THR OG1 : rot -170:sc= -0.04 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 30 LYS NZ :NH3+ -130:sc= -2.3 (180deg=-4.93!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -95:sc= 1.23 USER MOD Single : A 41 GLN : amide:sc= -0.18 K(o=-0.18,f=-2.2!) USER MOD Single : A 42 ASN : amide:sc= -2.52! K(o=-2.5!,f=-0.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,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 -173:sc= -0.528 (180deg=-0.556) USER MOD Single : A 72 MET CE :methyl -173:sc= -1.41 (180deg=-1.59) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -73:sc= 0.567 USER MOD Single : A 107 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.36) USER MOD Single : A 110 THR OG1 : rot -50:sc= -1.12! USER MOD Single : A 111 ASN : amide:sc= -0.715 K(o=-0.71,f=-2.6!) USER MOD Single : A 115 LYS NZ :NH3+ -154:sc= -0.11 (180deg=-0.705) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0534 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.88!) USER MOD Single : A 137 ASN : amide:sc= -3.36! C(o=-3.4!,f=-9.7!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -149:sc= -0.701 (180deg=-2.95!) USER MOD Single : A 146 THR OG1 : rot -72:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 13.832 1.944 -3.512 1.00 0.33 N ATOM 106 CA GLN A 8 12.514 2.285 -2.905 1.00 0.30 C ATOM 107 C GLN A 8 11.462 1.289 -3.397 1.00 0.29 C ATOM 108 O GLN A 8 10.580 0.891 -2.663 1.00 0.28 O ATOM 109 CB GLN A 8 12.113 3.708 -3.313 1.00 0.30 C ATOM 110 CG GLN A 8 12.909 4.722 -2.487 1.00 0.29 C ATOM 111 CD GLN A 8 12.815 6.102 -3.142 1.00 0.34 C ATOM 112 OE1 GLN A 8 11.938 6.348 -3.945 1.00 0.59 O ATOM 113 NE2 GLN A 8 13.687 7.019 -2.828 1.00 0.97 N ATOM 0 HA GLN A 8 12.585 2.233 -1.819 1.00 0.30 H new ATOM 0 HB2 GLN A 8 12.303 3.860 -4.375 1.00 0.30 H new ATOM 0 HB3 GLN A 8 11.044 3.855 -3.156 1.00 0.30 H new ATOM 0 HG2 GLN A 8 12.520 4.764 -1.470 1.00 0.29 H new ATOM 0 HG3 GLN A 8 13.951 4.411 -2.417 1.00 0.29 H new ATOM 0 HE21 GLN A 8 14.424 6.813 -2.153 1.00 0.97 H new ATOM 0 HE22 GLN A 8 13.632 7.943 -3.257 1.00 0.97 H new ATOM 122 N ILE A 9 11.550 0.875 -4.633 1.00 0.30 N ATOM 123 CA ILE A 9 10.556 -0.102 -5.156 1.00 0.29 C ATOM 124 C ILE A 9 10.752 -1.440 -4.441 1.00 0.26 C ATOM 125 O ILE A 9 9.806 -2.151 -4.164 1.00 0.25 O ATOM 126 CB ILE A 9 10.754 -0.279 -6.665 1.00 0.29 C ATOM 127 CG1 ILE A 9 10.334 1.009 -7.379 1.00 0.36 C ATOM 128 CG2 ILE A 9 9.896 -1.445 -7.168 1.00 0.29 C ATOM 129 CD1 ILE A 9 10.731 0.934 -8.853 1.00 0.36 C ATOM 0 H ILE A 9 12.264 1.170 -5.299 1.00 0.30 H new ATOM 0 HA ILE A 9 9.545 0.263 -4.974 1.00 0.29 H new ATOM 0 HB ILE A 9 11.803 -0.492 -6.872 1.00 0.29 H new ATOM 0 HG12 ILE A 9 9.257 1.151 -7.289 1.00 0.36 H new ATOM 0 HG13 ILE A 9 10.810 1.869 -6.908 1.00 0.36 H new ATOM 0 HG21 ILE A 9 10.041 -1.566 -8.242 1.00 0.29 H new ATOM 0 HG22 ILE A 9 10.191 -2.361 -6.656 1.00 0.29 H new ATOM 0 HG23 ILE A 9 8.845 -1.238 -6.965 1.00 0.29 H new ATOM 0 HD11 ILE A 9 10.431 1.852 -9.358 1.00 0.36 H new ATOM 0 HD12 ILE A 9 11.811 0.813 -8.933 1.00 0.36 H new ATOM 0 HD13 ILE A 9 10.235 0.084 -9.321 1.00 0.36 H new ATOM 141 N ALA A 10 11.973 -1.787 -4.136 1.00 0.25 N ATOM 142 CA ALA A 10 12.221 -3.075 -3.436 1.00 0.22 C ATOM 143 C ALA A 10 11.777 -2.946 -1.975 1.00 0.20 C ATOM 144 O ALA A 10 11.092 -3.801 -1.454 1.00 0.30 O ATOM 145 CB ALA A 10 13.719 -3.427 -3.519 1.00 0.25 C ATOM 0 H ALA A 10 12.806 -1.235 -4.341 1.00 0.25 H new ATOM 0 HA ALA A 10 11.651 -3.874 -3.910 1.00 0.22 H new ATOM 0 HB1 ALA A 10 13.900 -4.371 -3.006 1.00 0.25 H new ATOM 0 HB2 ALA A 10 14.014 -3.520 -4.564 1.00 0.25 H new ATOM 0 HB3 ALA A 10 14.305 -2.639 -3.046 1.00 0.25 H new ATOM 151 N GLU A 11 12.151 -1.883 -1.309 1.00 0.16 N ATOM 152 CA GLU A 11 11.740 -1.711 0.112 1.00 0.16 C ATOM 153 C GLU A 11 10.230 -1.937 0.233 1.00 0.12 C ATOM 154 O GLU A 11 9.768 -2.650 1.100 1.00 0.12 O ATOM 155 CB GLU A 11 12.117 -0.277 0.567 1.00 0.23 C ATOM 156 CG GLU A 11 13.063 -0.326 1.770 1.00 0.85 C ATOM 157 CD GLU A 11 13.572 1.081 2.080 1.00 1.20 C ATOM 158 OE1 GLU A 11 12.934 2.029 1.652 1.00 1.54 O ATOM 159 OE2 GLU A 11 14.592 1.189 2.742 1.00 1.92 O ATOM 0 H GLU A 11 12.723 -1.129 -1.690 1.00 0.16 H new ATOM 0 HA GLU A 11 12.250 -2.434 0.748 1.00 0.16 H new ATOM 0 HB2 GLU A 11 12.592 0.258 -0.255 1.00 0.23 H new ATOM 0 HB3 GLU A 11 11.215 0.277 0.829 1.00 0.23 H new ATOM 0 HG2 GLU A 11 12.544 -0.735 2.637 1.00 0.85 H new ATOM 0 HG3 GLU A 11 13.902 -0.989 1.559 1.00 0.85 H new ATOM 166 N PHE A 12 9.462 -1.337 -0.629 1.00 0.11 N ATOM 167 CA PHE A 12 7.991 -1.522 -0.555 1.00 0.07 C ATOM 168 C PHE A 12 7.645 -2.955 -0.952 1.00 0.04 C ATOM 169 O PHE A 12 6.660 -3.510 -0.509 1.00 0.06 O ATOM 170 CB PHE A 12 7.291 -0.552 -1.512 1.00 0.04 C ATOM 171 CG PHE A 12 7.826 0.870 -1.386 1.00 0.13 C ATOM 172 CD1 PHE A 12 8.426 1.340 -0.198 1.00 2.03 C ATOM 173 CD2 PHE A 12 7.693 1.738 -2.482 1.00 2.23 C ATOM 174 CE1 PHE A 12 8.887 2.662 -0.125 1.00 1.99 C ATOM 175 CE2 PHE A 12 8.153 3.054 -2.398 1.00 2.27 C ATOM 176 CZ PHE A 12 8.749 3.517 -1.223 1.00 0.30 C ATOM 0 H PHE A 12 9.789 -0.728 -1.379 1.00 0.11 H new ATOM 0 HA PHE A 12 7.656 -1.325 0.463 1.00 0.07 H new ATOM 0 HB2 PHE A 12 7.422 -0.898 -2.537 1.00 0.04 H new ATOM 0 HB3 PHE A 12 6.220 -0.554 -1.310 1.00 0.04 H new ATOM 0 HD1 PHE A 12 8.530 0.683 0.653 1.00 2.03 H new ATOM 0 HD2 PHE A 12 7.233 1.386 -3.394 1.00 2.23 H new ATOM 0 HE1 PHE A 12 9.350 3.021 0.782 1.00 1.99 H new ATOM 0 HE2 PHE A 12 8.047 3.716 -3.245 1.00 2.27 H new ATOM 0 HZ PHE A 12 9.103 4.535 -1.162 1.00 0.30 H new ATOM 186 N LYS A 13 8.441 -3.562 -1.786 1.00 0.04 N ATOM 187 CA LYS A 13 8.139 -4.957 -2.200 1.00 0.04 C ATOM 188 C LYS A 13 8.316 -5.892 -1.001 1.00 0.06 C ATOM 189 O LYS A 13 7.524 -6.789 -0.788 1.00 0.10 O ATOM 190 CB LYS A 13 9.078 -5.383 -3.333 1.00 0.06 C ATOM 191 CG LYS A 13 8.729 -6.817 -3.787 1.00 0.14 C ATOM 192 CD LYS A 13 9.128 -7.026 -5.262 1.00 0.04 C ATOM 193 CE LYS A 13 7.989 -6.572 -6.183 1.00 0.14 C ATOM 194 NZ LYS A 13 8.395 -6.763 -7.604 1.00 0.79 N ATOM 0 H LYS A 13 9.282 -3.155 -2.196 1.00 0.04 H new ATOM 0 HA LYS A 13 7.110 -5.012 -2.556 1.00 0.04 H new ATOM 0 HB2 LYS A 13 8.987 -4.693 -4.172 1.00 0.06 H new ATOM 0 HB3 LYS A 13 10.114 -5.340 -2.996 1.00 0.06 H new ATOM 0 HG2 LYS A 13 9.247 -7.541 -3.158 1.00 0.14 H new ATOM 0 HG3 LYS A 13 7.661 -6.994 -3.664 1.00 0.14 H new ATOM 0 HD2 LYS A 13 10.034 -6.463 -5.486 1.00 0.04 H new ATOM 0 HD3 LYS A 13 9.354 -8.077 -5.441 1.00 0.04 H new ATOM 0 HE2 LYS A 13 7.086 -7.144 -5.971 1.00 0.14 H new ATOM 0 HE3 LYS A 13 7.753 -5.524 -5.998 1.00 0.14 H new ATOM 0 HZ1 LYS A 13 7.623 -6.455 -8.230 1.00 0.79 H new ATOM 0 HZ2 LYS A 13 9.246 -6.199 -7.801 1.00 0.79 H new ATOM 0 HZ3 LYS A 13 8.599 -7.768 -7.775 1.00 0.79 H new ATOM 208 N GLU A 14 9.337 -5.692 -0.208 1.00 0.06 N ATOM 209 CA GLU A 14 9.527 -6.582 0.974 1.00 0.09 C ATOM 210 C GLU A 14 8.350 -6.394 1.931 1.00 0.10 C ATOM 211 O GLU A 14 7.786 -7.342 2.438 1.00 0.18 O ATOM 212 CB GLU A 14 10.838 -6.234 1.699 1.00 0.11 C ATOM 213 CG GLU A 14 11.950 -5.939 0.677 1.00 0.26 C ATOM 214 CD GLU A 14 13.321 -6.249 1.289 1.00 0.79 C ATOM 215 OE1 GLU A 14 13.496 -7.356 1.771 1.00 0.55 O ATOM 216 OE2 GLU A 14 14.172 -5.374 1.264 1.00 2.01 O ATOM 0 H GLU A 14 10.038 -4.961 -0.326 1.00 0.06 H new ATOM 0 HA GLU A 14 9.576 -7.618 0.640 1.00 0.09 H new ATOM 0 HB2 GLU A 14 10.687 -5.367 2.343 1.00 0.11 H new ATOM 0 HB3 GLU A 14 11.136 -7.061 2.343 1.00 0.11 H new ATOM 0 HG2 GLU A 14 11.799 -6.539 -0.220 1.00 0.26 H new ATOM 0 HG3 GLU A 14 11.907 -4.893 0.372 1.00 0.26 H new ATOM 223 N ALA A 15 7.984 -5.169 2.180 1.00 0.03 N ATOM 224 CA ALA A 15 6.846 -4.901 3.105 1.00 0.08 C ATOM 225 C ALA A 15 5.546 -5.419 2.489 1.00 0.11 C ATOM 226 O ALA A 15 4.629 -5.810 3.186 1.00 0.16 O ATOM 227 CB ALA A 15 6.731 -3.395 3.346 1.00 0.10 C ATOM 0 H ALA A 15 8.424 -4.339 1.783 1.00 0.03 H new ATOM 0 HA ALA A 15 7.023 -5.411 4.052 1.00 0.08 H new ATOM 0 HB1 ALA A 15 5.899 -3.197 4.022 1.00 0.10 H new ATOM 0 HB2 ALA A 15 7.655 -3.026 3.790 1.00 0.10 H new ATOM 0 HB3 ALA A 15 6.556 -2.887 2.398 1.00 0.10 H new ATOM 233 N PHE A 16 5.454 -5.413 1.191 1.00 0.07 N ATOM 234 CA PHE A 16 4.210 -5.895 0.525 1.00 0.08 C ATOM 235 C PHE A 16 4.120 -7.421 0.609 1.00 0.09 C ATOM 236 O PHE A 16 3.049 -7.981 0.741 1.00 0.14 O ATOM 237 CB PHE A 16 4.234 -5.464 -0.943 1.00 0.09 C ATOM 238 CG PHE A 16 2.860 -5.627 -1.545 1.00 0.07 C ATOM 239 CD1 PHE A 16 2.503 -6.837 -2.150 1.00 0.11 C ATOM 240 CD2 PHE A 16 1.945 -4.565 -1.506 1.00 0.05 C ATOM 241 CE1 PHE A 16 1.234 -6.987 -2.719 1.00 0.11 C ATOM 242 CE2 PHE A 16 0.677 -4.717 -2.070 1.00 0.04 C ATOM 243 CZ PHE A 16 0.323 -5.925 -2.676 1.00 0.07 C ATOM 0 H PHE A 16 6.188 -5.094 0.558 1.00 0.07 H new ATOM 0 HA PHE A 16 3.343 -5.466 1.027 1.00 0.08 H new ATOM 0 HB2 PHE A 16 4.555 -4.425 -1.022 1.00 0.09 H new ATOM 0 HB3 PHE A 16 4.957 -6.064 -1.496 1.00 0.09 H new ATOM 0 HD1 PHE A 16 3.207 -7.655 -2.178 1.00 0.11 H new ATOM 0 HD2 PHE A 16 2.221 -3.631 -1.040 1.00 0.05 H new ATOM 0 HE1 PHE A 16 0.958 -7.919 -3.190 1.00 0.11 H new ATOM 0 HE2 PHE A 16 -0.030 -3.901 -2.038 1.00 0.04 H new ATOM 0 HZ PHE A 16 -0.658 -6.040 -3.113 1.00 0.07 H new ATOM 253 N SER A 17 5.230 -8.099 0.522 1.00 0.20 N ATOM 254 CA SER A 17 5.202 -9.589 0.585 1.00 0.22 C ATOM 255 C SER A 17 4.908 -10.057 2.015 1.00 0.20 C ATOM 256 O SER A 17 4.292 -11.081 2.228 1.00 0.21 O ATOM 257 CB SER A 17 6.561 -10.135 0.143 1.00 0.32 C ATOM 258 OG SER A 17 7.594 -9.390 0.776 1.00 1.06 O ATOM 0 H SER A 17 6.156 -7.687 0.410 1.00 0.20 H new ATOM 0 HA SER A 17 4.417 -9.958 -0.075 1.00 0.22 H new ATOM 0 HB2 SER A 17 6.645 -11.190 0.405 1.00 0.32 H new ATOM 0 HB3 SER A 17 6.659 -10.066 -0.940 1.00 0.32 H new ATOM 0 HG SER A 17 7.211 -8.843 1.493 1.00 1.06 H new ATOM 264 N LEU A 18 5.354 -9.324 2.998 1.00 0.23 N ATOM 265 CA LEU A 18 5.112 -9.741 4.412 1.00 0.23 C ATOM 266 C LEU A 18 3.634 -10.095 4.616 1.00 0.18 C ATOM 267 O LEU A 18 3.296 -10.854 5.501 1.00 0.20 O ATOM 268 CB LEU A 18 5.485 -8.587 5.360 1.00 0.26 C ATOM 269 CG LEU A 18 7.007 -8.541 5.598 1.00 0.18 C ATOM 270 CD1 LEU A 18 7.351 -7.296 6.435 1.00 0.27 C ATOM 271 CD2 LEU A 18 7.479 -9.809 6.347 1.00 0.12 C ATOM 0 H LEU A 18 5.875 -8.455 2.885 1.00 0.23 H new ATOM 0 HA LEU A 18 5.725 -10.616 4.629 1.00 0.23 H new ATOM 0 HB2 LEU A 18 5.150 -7.640 4.936 1.00 0.26 H new ATOM 0 HB3 LEU A 18 4.968 -8.711 6.311 1.00 0.26 H new ATOM 0 HG LEU A 18 7.513 -8.496 4.634 1.00 0.18 H new ATOM 0 HD11 LEU A 18 8.427 -7.259 6.606 1.00 0.27 H new ATOM 0 HD12 LEU A 18 7.037 -6.400 5.900 1.00 0.27 H new ATOM 0 HD13 LEU A 18 6.833 -7.347 7.393 1.00 0.27 H new ATOM 0 HD21 LEU A 18 8.556 -9.758 6.506 1.00 0.12 H new ATOM 0 HD22 LEU A 18 6.973 -9.872 7.310 1.00 0.12 H new ATOM 0 HD23 LEU A 18 7.241 -10.692 5.754 1.00 0.12 H new ATOM 283 N PHE A 19 2.751 -9.531 3.827 1.00 0.15 N ATOM 284 CA PHE A 19 1.285 -9.811 3.999 1.00 0.11 C ATOM 285 C PHE A 19 0.697 -10.439 2.733 1.00 0.07 C ATOM 286 O PHE A 19 -0.501 -10.433 2.532 1.00 0.07 O ATOM 287 CB PHE A 19 0.584 -8.496 4.304 1.00 0.10 C ATOM 288 CG PHE A 19 1.255 -7.874 5.499 1.00 0.06 C ATOM 289 CD1 PHE A 19 2.460 -7.180 5.338 1.00 0.07 C ATOM 290 CD2 PHE A 19 0.684 -8.000 6.768 1.00 0.08 C ATOM 291 CE1 PHE A 19 3.093 -6.610 6.447 1.00 0.04 C ATOM 292 CE2 PHE A 19 1.314 -7.430 7.880 1.00 0.08 C ATOM 293 CZ PHE A 19 2.520 -6.734 7.719 1.00 0.02 C ATOM 0 H PHE A 19 2.980 -8.888 3.069 1.00 0.15 H new ATOM 0 HA PHE A 19 1.141 -10.518 4.816 1.00 0.11 H new ATOM 0 HB2 PHE A 19 0.640 -7.827 3.445 1.00 0.10 H new ATOM 0 HB3 PHE A 19 -0.473 -8.667 4.507 1.00 0.10 H new ATOM 0 HD1 PHE A 19 2.901 -7.085 4.357 1.00 0.07 H new ATOM 0 HD2 PHE A 19 -0.244 -8.538 6.891 1.00 0.08 H new ATOM 0 HE1 PHE A 19 4.023 -6.075 6.323 1.00 0.04 H new ATOM 0 HE2 PHE A 19 0.872 -7.526 8.861 1.00 0.08 H new ATOM 0 HZ PHE A 19 3.008 -6.293 8.576 1.00 0.02 H new ATOM 303 N ASP A 20 1.523 -11.002 1.891 1.00 0.06 N ATOM 304 CA ASP A 20 1.012 -11.657 0.647 1.00 0.05 C ATOM 305 C ASP A 20 0.953 -13.169 0.893 1.00 0.06 C ATOM 306 O ASP A 20 1.733 -13.929 0.354 1.00 0.09 O ATOM 307 CB ASP A 20 1.964 -11.366 -0.516 1.00 0.09 C ATOM 308 CG ASP A 20 1.436 -12.032 -1.789 1.00 0.13 C ATOM 309 OD1 ASP A 20 1.571 -13.240 -1.902 1.00 0.91 O ATOM 310 OD2 ASP A 20 0.908 -11.323 -2.629 1.00 1.13 O ATOM 0 H ASP A 20 2.535 -11.037 2.011 1.00 0.06 H new ATOM 0 HA ASP A 20 0.022 -11.274 0.398 1.00 0.05 H new ATOM 0 HB2 ASP A 20 2.053 -10.290 -0.666 1.00 0.09 H new ATOM 0 HB3 ASP A 20 2.962 -11.739 -0.285 1.00 0.09 H new ATOM 315 N LYS A 21 0.051 -13.603 1.733 1.00 0.05 N ATOM 316 CA LYS A 21 -0.051 -15.058 2.058 1.00 0.08 C ATOM 317 C LYS A 21 -0.806 -15.811 0.965 1.00 0.01 C ATOM 318 O LYS A 21 -1.020 -17.003 1.054 1.00 0.02 O ATOM 319 CB LYS A 21 -0.809 -15.223 3.374 1.00 0.15 C ATOM 320 CG LYS A 21 -0.126 -14.415 4.489 1.00 0.16 C ATOM 321 CD LYS A 21 1.082 -15.182 5.034 1.00 0.20 C ATOM 322 CE LYS A 21 1.645 -14.439 6.246 1.00 0.35 C ATOM 323 NZ LYS A 21 2.148 -13.103 5.816 1.00 2.14 N ATOM 0 H LYS A 21 -0.625 -13.008 2.212 1.00 0.05 H new ATOM 0 HA LYS A 21 0.957 -15.465 2.136 1.00 0.08 H new ATOM 0 HB2 LYS A 21 -1.839 -14.889 3.252 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -0.846 -16.277 3.650 1.00 0.15 H new ATOM 0 HG2 LYS A 21 0.193 -13.447 4.103 1.00 0.16 H new ATOM 0 HG3 LYS A 21 -0.835 -14.220 5.293 1.00 0.16 H new ATOM 0 HD2 LYS A 21 0.789 -16.193 5.316 1.00 0.20 H new ATOM 0 HD3 LYS A 21 1.846 -15.276 4.263 1.00 0.20 H new ATOM 0 HE2 LYS A 21 0.873 -14.322 7.006 1.00 0.35 H new ATOM 0 HE3 LYS A 21 2.452 -15.016 6.698 1.00 0.35 H new ATOM 0 HZ1 LYS A 21 2.892 -12.785 6.470 1.00 2.14 H new ATOM 0 HZ2 LYS A 21 2.538 -13.172 4.854 1.00 2.14 H new ATOM 0 HZ3 LYS A 21 1.365 -12.418 5.824 1.00 2.14 H new ATOM 337 N ASP A 22 -1.218 -15.124 -0.052 1.00 0.05 N ATOM 338 CA ASP A 22 -1.977 -15.785 -1.160 1.00 0.12 C ATOM 339 C ASP A 22 -1.038 -16.073 -2.333 1.00 0.17 C ATOM 340 O ASP A 22 -1.457 -16.547 -3.372 1.00 0.24 O ATOM 341 CB ASP A 22 -3.096 -14.851 -1.629 1.00 0.17 C ATOM 342 CG ASP A 22 -3.977 -14.473 -0.437 1.00 0.26 C ATOM 343 OD1 ASP A 22 -3.688 -14.929 0.657 1.00 0.97 O ATOM 344 OD2 ASP A 22 -4.928 -13.735 -0.640 1.00 0.81 O ATOM 0 H ASP A 22 -1.065 -14.123 -0.173 1.00 0.05 H new ATOM 0 HA ASP A 22 -2.400 -16.722 -0.799 1.00 0.12 H new ATOM 0 HB2 ASP A 22 -2.671 -13.954 -2.080 1.00 0.17 H new ATOM 0 HB3 ASP A 22 -3.695 -15.340 -2.397 1.00 0.17 H new ATOM 349 N GLY A 23 0.229 -15.795 -2.181 1.00 0.16 N ATOM 350 CA GLY A 23 1.187 -16.059 -3.293 1.00 0.24 C ATOM 351 C GLY A 23 0.626 -15.469 -4.586 1.00 0.27 C ATOM 352 O GLY A 23 1.033 -15.824 -5.674 1.00 0.34 O ATOM 0 H GLY A 23 0.641 -15.397 -1.337 1.00 0.16 H new ATOM 0 HA2 GLY A 23 2.157 -15.616 -3.067 1.00 0.24 H new ATOM 0 HA3 GLY A 23 1.345 -17.131 -3.407 1.00 0.24 H new ATOM 356 N ASP A 24 -0.313 -14.568 -4.467 1.00 0.23 N ATOM 357 CA ASP A 24 -0.922 -13.940 -5.681 1.00 0.28 C ATOM 358 C ASP A 24 -0.292 -12.568 -5.915 1.00 0.25 C ATOM 359 O ASP A 24 -0.648 -11.861 -6.837 1.00 0.30 O ATOM 360 CB ASP A 24 -2.432 -13.772 -5.469 1.00 0.31 C ATOM 361 CG ASP A 24 -3.062 -13.167 -6.726 1.00 0.54 C ATOM 362 OD1 ASP A 24 -2.612 -13.501 -7.809 1.00 0.49 O ATOM 363 OD2 ASP A 24 -3.983 -12.380 -6.583 1.00 1.66 O ATOM 0 H ASP A 24 -0.687 -14.237 -3.578 1.00 0.23 H new ATOM 0 HA ASP A 24 -0.743 -14.579 -6.546 1.00 0.28 H new ATOM 0 HB2 ASP A 24 -2.888 -14.737 -5.250 1.00 0.31 H new ATOM 0 HB3 ASP A 24 -2.620 -13.128 -4.610 1.00 0.31 H new ATOM 368 N GLY A 25 0.641 -12.181 -5.090 1.00 0.17 N ATOM 369 CA GLY A 25 1.285 -10.852 -5.276 1.00 0.13 C ATOM 370 C GLY A 25 0.281 -9.750 -4.915 1.00 0.11 C ATOM 371 O GLY A 25 0.365 -8.643 -5.411 1.00 0.09 O ATOM 0 H GLY A 25 0.984 -12.725 -4.298 1.00 0.17 H new ATOM 0 HA2 GLY A 25 2.172 -10.773 -4.647 1.00 0.13 H new ATOM 0 HA3 GLY A 25 1.615 -10.736 -6.308 1.00 0.13 H new ATOM 375 N THR A 26 -0.677 -10.041 -4.057 1.00 0.12 N ATOM 376 CA THR A 26 -1.689 -9.009 -3.672 1.00 0.10 C ATOM 377 C THR A 26 -1.946 -9.076 -2.164 1.00 0.09 C ATOM 378 O THR A 26 -1.561 -10.014 -1.496 1.00 0.09 O ATOM 379 CB THR A 26 -3.002 -9.269 -4.413 1.00 0.13 C ATOM 380 OG1 THR A 26 -3.575 -10.483 -3.951 1.00 0.16 O ATOM 381 CG2 THR A 26 -2.734 -9.366 -5.916 1.00 0.13 C ATOM 0 H THR A 26 -0.797 -10.950 -3.610 1.00 0.12 H new ATOM 0 HA THR A 26 -1.308 -8.023 -3.937 1.00 0.10 H new ATOM 0 HB THR A 26 -3.693 -8.448 -4.223 1.00 0.13 H new ATOM 0 HG1 THR A 26 -3.703 -11.093 -4.707 1.00 0.16 H new ATOM 0 HG21 THR A 26 -3.671 -9.551 -6.441 1.00 0.13 H new ATOM 0 HG22 THR A 26 -2.299 -8.431 -6.269 1.00 0.13 H new ATOM 0 HG23 THR A 26 -2.041 -10.185 -6.110 1.00 0.13 H new ATOM 389 N ILE A 27 -2.608 -8.083 -1.628 1.00 0.08 N ATOM 390 CA ILE A 27 -2.915 -8.068 -0.165 1.00 0.06 C ATOM 391 C ILE A 27 -4.333 -7.531 0.027 1.00 0.08 C ATOM 392 O ILE A 27 -4.897 -6.923 -0.861 1.00 0.11 O ATOM 393 CB ILE A 27 -1.919 -7.160 0.567 1.00 0.06 C ATOM 394 CG1 ILE A 27 -1.984 -5.738 -0.013 1.00 0.06 C ATOM 395 CG2 ILE A 27 -0.502 -7.719 0.396 1.00 0.07 C ATOM 396 CD1 ILE A 27 -1.025 -4.824 0.753 1.00 0.07 C ATOM 0 H ILE A 27 -2.952 -7.274 -2.146 1.00 0.08 H new ATOM 0 HA ILE A 27 -2.836 -9.076 0.241 1.00 0.06 H new ATOM 0 HB ILE A 27 -2.174 -7.125 1.626 1.00 0.06 H new ATOM 0 HG12 ILE A 27 -1.720 -5.754 -1.070 1.00 0.06 H new ATOM 0 HG13 ILE A 27 -3.001 -5.353 0.056 1.00 0.06 H new ATOM 0 HG21 ILE A 27 0.208 -7.075 0.915 1.00 0.07 H new ATOM 0 HG22 ILE A 27 -0.454 -8.724 0.815 1.00 0.07 H new ATOM 0 HG23 ILE A 27 -0.251 -7.755 -0.664 1.00 0.07 H new ATOM 0 HD11 ILE A 27 -1.074 -3.817 0.339 1.00 0.07 H new ATOM 0 HD12 ILE A 27 -1.309 -4.798 1.805 1.00 0.07 H new ATOM 0 HD13 ILE A 27 -0.008 -5.205 0.661 1.00 0.07 H new ATOM 408 N THR A 28 -4.921 -7.743 1.172 1.00 0.08 N ATOM 409 CA THR A 28 -6.302 -7.233 1.393 1.00 0.09 C ATOM 410 C THR A 28 -6.258 -5.790 1.885 1.00 0.06 C ATOM 411 O THR A 28 -5.228 -5.286 2.287 1.00 0.02 O ATOM 412 CB THR A 28 -7.008 -8.075 2.449 1.00 0.11 C ATOM 413 OG1 THR A 28 -6.677 -7.585 3.742 1.00 0.09 O ATOM 414 CG2 THR A 28 -6.570 -9.532 2.329 1.00 0.12 C ATOM 0 H THR A 28 -4.508 -8.244 1.959 1.00 0.08 H new ATOM 0 HA THR A 28 -6.840 -7.289 0.447 1.00 0.09 H new ATOM 0 HB THR A 28 -8.086 -8.012 2.298 1.00 0.11 H new ATOM 0 HG1 THR A 28 -6.998 -8.214 4.422 1.00 0.09 H new ATOM 0 HG21 THR A 28 -7.078 -10.128 3.087 1.00 0.12 H new ATOM 0 HG22 THR A 28 -6.826 -9.909 1.339 1.00 0.12 H new ATOM 0 HG23 THR A 28 -5.492 -9.601 2.476 1.00 0.12 H new ATOM 422 N THR A 29 -7.380 -5.132 1.875 1.00 0.08 N ATOM 423 CA THR A 29 -7.428 -3.732 2.358 1.00 0.06 C ATOM 424 C THR A 29 -7.222 -3.718 3.876 1.00 0.07 C ATOM 425 O THR A 29 -6.704 -2.772 4.435 1.00 0.06 O ATOM 426 CB THR A 29 -8.801 -3.139 2.020 1.00 0.07 C ATOM 427 OG1 THR A 29 -9.801 -4.116 2.267 1.00 0.08 O ATOM 428 CG2 THR A 29 -8.848 -2.727 0.546 1.00 0.07 C ATOM 0 H THR A 29 -8.271 -5.508 1.550 1.00 0.08 H new ATOM 0 HA THR A 29 -6.645 -3.142 1.881 1.00 0.06 H new ATOM 0 HB THR A 29 -8.976 -2.260 2.640 1.00 0.07 H new ATOM 0 HG1 THR A 29 -10.682 -3.743 2.054 1.00 0.08 H new ATOM 0 HG21 THR A 29 -9.827 -2.307 0.317 1.00 0.07 H new ATOM 0 HG22 THR A 29 -8.078 -1.980 0.352 1.00 0.07 H new ATOM 0 HG23 THR A 29 -8.672 -3.600 -0.082 1.00 0.07 H new ATOM 436 N LYS A 30 -7.631 -4.760 4.548 1.00 0.10 N ATOM 437 CA LYS A 30 -7.469 -4.807 6.028 1.00 0.13 C ATOM 438 C LYS A 30 -5.985 -4.798 6.391 1.00 0.11 C ATOM 439 O LYS A 30 -5.606 -4.397 7.472 1.00 0.14 O ATOM 440 CB LYS A 30 -8.121 -6.082 6.572 1.00 0.17 C ATOM 441 CG LYS A 30 -9.638 -6.003 6.386 1.00 0.26 C ATOM 442 CD LYS A 30 -10.255 -7.395 6.559 1.00 0.39 C ATOM 443 CE LYS A 30 -10.033 -7.889 7.992 1.00 1.87 C ATOM 444 NZ LYS A 30 -8.644 -8.415 8.127 1.00 3.55 N ATOM 0 H LYS A 30 -8.071 -5.582 4.134 1.00 0.10 H new ATOM 0 HA LYS A 30 -7.949 -3.933 6.469 1.00 0.13 H new ATOM 0 HB2 LYS A 30 -7.726 -6.955 6.052 1.00 0.17 H new ATOM 0 HB3 LYS A 30 -7.880 -6.204 7.628 1.00 0.17 H new ATOM 0 HG2 LYS A 30 -10.067 -5.312 7.112 1.00 0.26 H new ATOM 0 HG3 LYS A 30 -9.872 -5.612 5.396 1.00 0.26 H new ATOM 0 HD2 LYS A 30 -11.322 -7.359 6.338 1.00 0.39 H new ATOM 0 HD3 LYS A 30 -9.806 -8.092 5.851 1.00 0.39 H new ATOM 0 HE2 LYS A 30 -10.195 -7.075 8.698 1.00 1.87 H new ATOM 0 HE3 LYS A 30 -10.754 -8.670 8.235 1.00 1.87 H new ATOM 0 HZ1 LYS A 30 -8.671 -9.358 8.565 1.00 3.55 H new ATOM 0 HZ2 LYS A 30 -8.205 -8.482 7.186 1.00 3.55 H new ATOM 0 HZ3 LYS A 30 -8.086 -7.772 8.724 1.00 3.55 H new ATOM 458 N GLU A 31 -5.142 -5.243 5.497 1.00 0.07 N ATOM 459 CA GLU A 31 -3.672 -5.269 5.793 1.00 0.08 C ATOM 460 C GLU A 31 -2.993 -4.063 5.141 1.00 0.08 C ATOM 461 O GLU A 31 -1.783 -4.000 5.049 1.00 0.17 O ATOM 462 CB GLU A 31 -3.059 -6.550 5.223 1.00 0.07 C ATOM 463 CG GLU A 31 -3.851 -7.768 5.706 1.00 0.10 C ATOM 464 CD GLU A 31 -3.352 -9.019 4.980 1.00 0.08 C ATOM 465 OE1 GLU A 31 -3.128 -8.936 3.785 1.00 0.25 O ATOM 466 OE2 GLU A 31 -3.204 -10.040 5.633 1.00 0.22 O ATOM 0 H GLU A 31 -5.404 -5.590 4.574 1.00 0.07 H new ATOM 0 HA GLU A 31 -3.525 -5.235 6.872 1.00 0.08 H new ATOM 0 HB2 GLU A 31 -3.063 -6.512 4.134 1.00 0.07 H new ATOM 0 HB3 GLU A 31 -2.018 -6.635 5.535 1.00 0.07 H new ATOM 0 HG2 GLU A 31 -3.734 -7.888 6.783 1.00 0.10 H new ATOM 0 HG3 GLU A 31 -4.914 -7.623 5.515 1.00 0.10 H new ATOM 473 N LEU A 32 -3.752 -3.107 4.689 1.00 0.08 N ATOM 474 CA LEU A 32 -3.130 -1.916 4.045 1.00 0.06 C ATOM 475 C LEU A 32 -2.476 -1.039 5.119 1.00 0.07 C ATOM 476 O LEU A 32 -1.320 -0.679 5.013 1.00 0.06 O ATOM 477 CB LEU A 32 -4.203 -1.120 3.291 1.00 0.05 C ATOM 478 CG LEU A 32 -3.610 0.182 2.735 1.00 0.03 C ATOM 479 CD1 LEU A 32 -2.357 -0.119 1.900 1.00 0.03 C ATOM 480 CD2 LEU A 32 -4.655 0.878 1.857 1.00 0.02 C ATOM 0 H LEU A 32 -4.771 -3.097 4.736 1.00 0.08 H new ATOM 0 HA LEU A 32 -2.367 -2.238 3.336 1.00 0.06 H new ATOM 0 HB2 LEU A 32 -4.605 -1.721 2.476 1.00 0.05 H new ATOM 0 HB3 LEU A 32 -5.033 -0.893 3.959 1.00 0.05 H new ATOM 0 HG LEU A 32 -3.332 0.831 3.565 1.00 0.03 H new ATOM 0 HD11 LEU A 32 -1.946 0.813 1.511 1.00 0.03 H new ATOM 0 HD12 LEU A 32 -1.612 -0.611 2.526 1.00 0.03 H new ATOM 0 HD13 LEU A 32 -2.622 -0.773 1.069 1.00 0.03 H new ATOM 0 HD21 LEU A 32 -4.238 1.804 1.460 1.00 0.02 H new ATOM 0 HD22 LEU A 32 -4.933 0.222 1.032 1.00 0.02 H new ATOM 0 HD23 LEU A 32 -5.539 1.105 2.454 1.00 0.02 H new ATOM 492 N GLY A 33 -3.197 -0.693 6.152 1.00 0.07 N ATOM 493 CA GLY A 33 -2.604 0.156 7.219 1.00 0.08 C ATOM 494 C GLY A 33 -1.472 -0.609 7.909 1.00 0.07 C ATOM 495 O GLY A 33 -0.566 -0.021 8.466 1.00 0.08 O ATOM 0 H GLY A 33 -4.169 -0.962 6.301 1.00 0.07 H new ATOM 0 HA2 GLY A 33 -2.223 1.083 6.791 1.00 0.08 H new ATOM 0 HA3 GLY A 33 -3.368 0.431 7.946 1.00 0.08 H new ATOM 499 N THR A 34 -1.513 -1.915 7.879 1.00 0.07 N ATOM 500 CA THR A 34 -0.433 -2.700 8.539 1.00 0.07 C ATOM 501 C THR A 34 0.851 -2.600 7.714 1.00 0.06 C ATOM 502 O THR A 34 1.931 -2.445 8.249 1.00 0.06 O ATOM 503 CB THR A 34 -0.867 -4.167 8.659 1.00 0.09 C ATOM 504 OG1 THR A 34 -2.217 -4.220 9.098 1.00 0.14 O ATOM 505 CG2 THR A 34 0.024 -4.899 9.665 1.00 0.07 C ATOM 0 H THR A 34 -2.243 -2.467 7.429 1.00 0.07 H new ATOM 0 HA THR A 34 -0.247 -2.299 9.536 1.00 0.07 H new ATOM 0 HB THR A 34 -0.774 -4.649 7.686 1.00 0.09 H new ATOM 0 HG1 THR A 34 -2.500 -5.155 9.175 1.00 0.14 H new ATOM 0 HG21 THR A 34 -0.293 -5.939 9.742 1.00 0.07 H new ATOM 0 HG22 THR A 34 1.060 -4.859 9.329 1.00 0.07 H new ATOM 0 HG23 THR A 34 -0.060 -4.421 10.641 1.00 0.07 H new ATOM 513 N VAL A 35 0.746 -2.671 6.418 1.00 0.06 N ATOM 514 CA VAL A 35 1.967 -2.564 5.569 1.00 0.07 C ATOM 515 C VAL A 35 2.520 -1.144 5.679 1.00 0.05 C ATOM 516 O VAL A 35 3.710 -0.934 5.823 1.00 0.10 O ATOM 517 CB VAL A 35 1.607 -2.859 4.112 1.00 0.11 C ATOM 518 CG1 VAL A 35 2.829 -2.616 3.223 1.00 0.09 C ATOM 519 CG2 VAL A 35 1.166 -4.318 3.980 1.00 0.16 C ATOM 0 H VAL A 35 -0.129 -2.798 5.909 1.00 0.06 H new ATOM 0 HA VAL A 35 2.715 -3.282 5.905 1.00 0.07 H new ATOM 0 HB VAL A 35 0.794 -2.203 3.801 1.00 0.11 H new ATOM 0 HG11 VAL A 35 2.571 -2.827 2.185 1.00 0.09 H new ATOM 0 HG12 VAL A 35 3.145 -1.577 3.315 1.00 0.09 H new ATOM 0 HG13 VAL A 35 3.642 -3.271 3.535 1.00 0.09 H new ATOM 0 HG21 VAL A 35 0.909 -4.528 2.942 1.00 0.16 H new ATOM 0 HG22 VAL A 35 1.979 -4.973 4.293 1.00 0.16 H new ATOM 0 HG23 VAL A 35 0.295 -4.493 4.611 1.00 0.16 H new ATOM 529 N MET A 36 1.659 -0.168 5.622 1.00 0.09 N ATOM 530 CA MET A 36 2.121 1.243 5.732 1.00 0.06 C ATOM 531 C MET A 36 2.777 1.443 7.098 1.00 0.04 C ATOM 532 O MET A 36 3.767 2.137 7.225 1.00 0.08 O ATOM 533 CB MET A 36 0.922 2.193 5.600 1.00 0.05 C ATOM 534 CG MET A 36 0.425 2.243 4.146 1.00 0.14 C ATOM 535 SD MET A 36 -0.473 3.791 3.878 1.00 1.20 S ATOM 536 CE MET A 36 -0.166 3.928 2.100 1.00 0.40 C ATOM 0 H MET A 36 0.653 -0.287 5.504 1.00 0.09 H new ATOM 0 HA MET A 36 2.837 1.457 4.938 1.00 0.06 H new ATOM 0 HB2 MET A 36 0.115 1.861 6.254 1.00 0.05 H new ATOM 0 HB3 MET A 36 1.207 3.193 5.927 1.00 0.05 H new ATOM 0 HG2 MET A 36 1.268 2.174 3.458 1.00 0.14 H new ATOM 0 HG3 MET A 36 -0.224 1.392 3.941 1.00 0.14 H new ATOM 0 HE1 MET A 36 -0.640 4.832 1.717 1.00 0.40 H new ATOM 0 HE2 MET A 36 0.908 3.977 1.919 1.00 0.40 H new ATOM 0 HE3 MET A 36 -0.580 3.058 1.591 1.00 0.40 H new ATOM 546 N ARG A 37 2.236 0.838 8.122 1.00 0.09 N ATOM 547 CA ARG A 37 2.836 0.996 9.476 1.00 0.12 C ATOM 548 C ARG A 37 4.202 0.314 9.511 1.00 0.08 C ATOM 549 O ARG A 37 5.077 0.698 10.262 1.00 0.09 O ATOM 550 CB ARG A 37 1.905 0.371 10.522 1.00 0.23 C ATOM 551 CG ARG A 37 0.730 1.320 10.785 1.00 0.27 C ATOM 552 CD ARG A 37 -0.373 0.584 11.543 1.00 0.86 C ATOM 553 NE ARG A 37 0.165 0.071 12.833 1.00 0.40 N ATOM 554 CZ ARG A 37 -0.651 -0.305 13.779 1.00 0.76 C ATOM 555 NH1 ARG A 37 -1.942 -0.219 13.599 1.00 1.54 N ATOM 556 NH2 ARG A 37 -0.180 -0.763 14.906 1.00 0.69 N ATOM 0 H ARG A 37 1.408 0.244 8.079 1.00 0.09 H new ATOM 0 HA ARG A 37 2.963 2.055 9.701 1.00 0.12 H new ATOM 0 HB2 ARG A 37 1.537 -0.593 10.169 1.00 0.23 H new ATOM 0 HB3 ARG A 37 2.451 0.185 11.447 1.00 0.23 H new ATOM 0 HG2 ARG A 37 1.068 2.180 11.362 1.00 0.27 H new ATOM 0 HG3 ARG A 37 0.342 1.702 9.841 1.00 0.27 H new ATOM 0 HD2 ARG A 37 -1.211 1.255 11.728 1.00 0.86 H new ATOM 0 HD3 ARG A 37 -0.753 -0.242 10.942 1.00 0.86 H new ATOM 0 HE ARG A 37 1.173 0.013 12.977 1.00 0.40 H new ATOM 0 HH11 ARG A 37 -2.311 0.142 12.719 1.00 1.54 H new ATOM 0 HH12 ARG A 37 -2.581 -0.513 14.338 1.00 1.54 H new ATOM 0 HH21 ARG A 37 0.828 -0.828 15.049 1.00 0.69 H new ATOM 0 HH22 ARG A 37 -0.820 -1.056 15.644 1.00 0.69 H new ATOM 570 N SER A 38 4.403 -0.687 8.698 1.00 0.08 N ATOM 571 CA SER A 38 5.725 -1.371 8.686 1.00 0.10 C ATOM 572 C SER A 38 6.786 -0.394 8.176 1.00 0.10 C ATOM 573 O SER A 38 7.926 -0.426 8.595 1.00 0.13 O ATOM 574 CB SER A 38 5.665 -2.588 7.765 1.00 0.16 C ATOM 575 OG SER A 38 5.831 -2.166 6.417 1.00 0.13 O ATOM 0 H SER A 38 3.713 -1.058 8.045 1.00 0.08 H new ATOM 0 HA SER A 38 5.979 -1.698 9.694 1.00 0.10 H new ATOM 0 HB2 SER A 38 6.445 -3.301 8.034 1.00 0.16 H new ATOM 0 HB3 SER A 38 4.710 -3.101 7.883 1.00 0.16 H new ATOM 0 HG SER A 38 4.952 -2.034 6.005 1.00 0.13 H new ATOM 581 N LEU A 39 6.416 0.476 7.273 1.00 0.10 N ATOM 582 CA LEU A 39 7.397 1.460 6.732 1.00 0.16 C ATOM 583 C LEU A 39 7.509 2.650 7.689 1.00 0.14 C ATOM 584 O LEU A 39 8.255 3.580 7.452 1.00 0.18 O ATOM 585 CB LEU A 39 6.925 1.950 5.361 1.00 0.22 C ATOM 586 CG LEU A 39 6.642 0.752 4.446 1.00 0.26 C ATOM 587 CD1 LEU A 39 5.993 1.242 3.151 1.00 0.27 C ATOM 588 CD2 LEU A 39 7.952 0.019 4.117 1.00 0.25 C ATOM 0 H LEU A 39 5.475 0.547 6.887 1.00 0.10 H new ATOM 0 HA LEU A 39 8.372 0.983 6.632 1.00 0.16 H new ATOM 0 HB2 LEU A 39 6.025 2.555 5.472 1.00 0.22 H new ATOM 0 HB3 LEU A 39 7.685 2.589 4.912 1.00 0.22 H new ATOM 0 HG LEU A 39 5.968 0.065 4.957 1.00 0.26 H new ATOM 0 HD11 LEU A 39 5.792 0.391 2.500 1.00 0.27 H new ATOM 0 HD12 LEU A 39 5.057 1.751 3.383 1.00 0.27 H new ATOM 0 HD13 LEU A 39 6.667 1.934 2.645 1.00 0.27 H new ATOM 0 HD21 LEU A 39 7.741 -0.830 3.467 1.00 0.25 H new ATOM 0 HD22 LEU A 39 8.634 0.702 3.611 1.00 0.25 H new ATOM 0 HD23 LEU A 39 8.412 -0.336 5.039 1.00 0.25 H new ATOM 600 N GLY A 40 6.786 2.623 8.777 1.00 0.09 N ATOM 601 CA GLY A 40 6.862 3.750 9.759 1.00 0.12 C ATOM 602 C GLY A 40 5.848 4.846 9.407 1.00 0.20 C ATOM 603 O GLY A 40 5.948 5.960 9.880 1.00 0.23 O ATOM 0 H GLY A 40 6.146 1.871 9.030 1.00 0.09 H new ATOM 0 HA2 GLY A 40 6.667 3.377 10.764 1.00 0.12 H new ATOM 0 HA3 GLY A 40 7.869 4.167 9.764 1.00 0.12 H new ATOM 607 N GLN A 41 4.867 4.543 8.594 1.00 0.21 N ATOM 608 CA GLN A 41 3.840 5.572 8.229 1.00 0.28 C ATOM 609 C GLN A 41 2.591 5.340 9.081 1.00 0.28 C ATOM 610 O GLN A 41 2.236 4.217 9.365 1.00 0.24 O ATOM 611 CB GLN A 41 3.480 5.427 6.748 1.00 0.29 C ATOM 612 CG GLN A 41 4.715 5.708 5.889 1.00 0.36 C ATOM 613 CD GLN A 41 5.085 7.189 5.995 1.00 0.90 C ATOM 614 OE1 GLN A 41 4.273 8.004 6.386 1.00 1.65 O ATOM 615 NE2 GLN A 41 6.286 7.573 5.660 1.00 1.77 N ATOM 0 H GLN A 41 4.731 3.627 8.166 1.00 0.21 H new ATOM 0 HA GLN A 41 4.233 6.573 8.408 1.00 0.28 H new ATOM 0 HB2 GLN A 41 3.108 4.421 6.551 1.00 0.29 H new ATOM 0 HB3 GLN A 41 2.679 6.119 6.489 1.00 0.29 H new ATOM 0 HG2 GLN A 41 5.549 5.089 6.220 1.00 0.36 H new ATOM 0 HG3 GLN A 41 4.516 5.446 4.850 1.00 0.36 H new ATOM 0 HE21 GLN A 41 6.967 6.889 5.332 1.00 1.77 H new ATOM 0 HE22 GLN A 41 6.544 8.558 5.726 1.00 1.77 H new ATOM 624 N ASN A 42 1.927 6.388 9.512 1.00 0.33 N ATOM 625 CA ASN A 42 0.705 6.206 10.370 1.00 0.33 C ATOM 626 C ASN A 42 -0.444 7.105 9.885 1.00 0.35 C ATOM 627 O ASN A 42 -0.760 8.084 10.529 1.00 0.40 O ATOM 628 CB ASN A 42 1.056 6.585 11.810 1.00 0.39 C ATOM 629 CG ASN A 42 -0.102 6.205 12.734 1.00 0.41 C ATOM 630 OD1 ASN A 42 -0.064 6.473 13.919 1.00 1.24 O ATOM 631 ND2 ASN A 42 -1.139 5.588 12.238 1.00 1.44 N ATOM 0 H ASN A 42 2.174 7.357 9.310 1.00 0.33 H new ATOM 0 HA ASN A 42 0.384 5.166 10.310 1.00 0.33 H new ATOM 0 HB2 ASN A 42 1.966 6.072 12.121 1.00 0.39 H new ATOM 0 HB3 ASN A 42 1.254 7.655 11.878 1.00 0.39 H new ATOM 0 HD21 ASN A 42 -1.918 5.331 12.845 1.00 1.44 H new ATOM 0 HD22 ASN A 42 -1.171 5.363 11.244 1.00 1.44 H new ATOM 638 N PRO A 43 -1.057 6.740 8.777 1.00 0.32 N ATOM 639 CA PRO A 43 -2.191 7.511 8.235 1.00 0.34 C ATOM 640 C PRO A 43 -3.421 7.260 9.120 1.00 0.33 C ATOM 641 O PRO A 43 -3.578 6.189 9.673 1.00 0.34 O ATOM 642 CB PRO A 43 -2.407 6.941 6.813 1.00 0.33 C ATOM 643 CG PRO A 43 -1.518 5.668 6.685 1.00 0.28 C ATOM 644 CD PRO A 43 -0.676 5.555 7.979 1.00 0.27 C ATOM 0 HA PRO A 43 -2.016 8.587 8.210 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -3.457 6.695 6.653 1.00 0.33 H new ATOM 0 HB3 PRO A 43 -2.134 7.678 6.058 1.00 0.33 H new ATOM 0 HG2 PRO A 43 -2.137 4.780 6.552 1.00 0.28 H new ATOM 0 HG3 PRO A 43 -0.870 5.739 5.811 1.00 0.28 H new ATOM 0 HD2 PRO A 43 -0.893 4.630 8.514 1.00 0.27 H new ATOM 0 HD3 PRO A 43 0.391 5.552 7.758 1.00 0.27 H new ATOM 652 N THR A 44 -4.295 8.216 9.261 1.00 0.33 N ATOM 653 CA THR A 44 -5.494 7.975 10.111 1.00 0.32 C ATOM 654 C THR A 44 -6.408 6.978 9.406 1.00 0.32 C ATOM 655 O THR A 44 -6.216 6.652 8.251 1.00 0.33 O ATOM 656 CB THR A 44 -6.258 9.279 10.346 1.00 0.31 C ATOM 657 OG1 THR A 44 -6.634 9.835 9.096 1.00 0.31 O ATOM 658 CG2 THR A 44 -5.371 10.266 11.104 1.00 0.38 C ATOM 0 H THR A 44 -4.234 9.140 8.833 1.00 0.33 H new ATOM 0 HA THR A 44 -5.172 7.580 11.074 1.00 0.32 H new ATOM 0 HB THR A 44 -7.151 9.076 10.937 1.00 0.31 H new ATOM 0 HG1 THR A 44 -7.125 10.670 9.244 1.00 0.31 H new ATOM 0 HG21 THR A 44 -5.918 11.194 11.270 1.00 0.38 H new ATOM 0 HG22 THR A 44 -5.086 9.836 12.064 1.00 0.38 H new ATOM 0 HG23 THR A 44 -4.475 10.473 10.519 1.00 0.38 H new ATOM 666 N GLU A 45 -7.401 6.493 10.092 1.00 0.32 N ATOM 667 CA GLU A 45 -8.327 5.514 9.467 1.00 0.32 C ATOM 668 C GLU A 45 -9.086 6.182 8.318 1.00 0.25 C ATOM 669 O GLU A 45 -9.331 5.578 7.294 1.00 0.23 O ATOM 670 CB GLU A 45 -9.319 5.020 10.525 1.00 0.35 C ATOM 671 CG GLU A 45 -8.656 3.951 11.399 1.00 0.51 C ATOM 672 CD GLU A 45 -9.683 3.393 12.386 1.00 0.44 C ATOM 673 OE1 GLU A 45 -10.454 4.178 12.913 1.00 1.56 O ATOM 674 OE2 GLU A 45 -9.680 2.192 12.598 1.00 1.20 O ATOM 0 H GLU A 45 -7.612 6.733 11.061 1.00 0.32 H new ATOM 0 HA GLU A 45 -7.760 4.671 9.074 1.00 0.32 H new ATOM 0 HB2 GLU A 45 -9.651 5.854 11.143 1.00 0.35 H new ATOM 0 HB3 GLU A 45 -10.206 4.609 10.042 1.00 0.35 H new ATOM 0 HG2 GLU A 45 -8.262 3.149 10.775 1.00 0.51 H new ATOM 0 HG3 GLU A 45 -7.812 4.379 11.939 1.00 0.51 H new ATOM 681 N ALA A 46 -9.462 7.421 8.473 1.00 0.22 N ATOM 682 CA ALA A 46 -10.202 8.100 7.376 1.00 0.16 C ATOM 683 C ALA A 46 -9.268 8.279 6.178 1.00 0.18 C ATOM 684 O ALA A 46 -9.663 8.097 5.044 1.00 0.17 O ATOM 685 CB ALA A 46 -10.715 9.461 7.858 1.00 0.12 C ATOM 0 H ALA A 46 -9.291 7.987 9.304 1.00 0.22 H new ATOM 0 HA ALA A 46 -11.057 7.493 7.079 1.00 0.16 H new ATOM 0 HB1 ALA A 46 -11.256 9.953 7.050 1.00 0.12 H new ATOM 0 HB2 ALA A 46 -11.383 9.318 8.707 1.00 0.12 H new ATOM 0 HB3 ALA A 46 -9.871 10.082 8.160 1.00 0.12 H new ATOM 691 N GLU A 47 -8.025 8.612 6.412 1.00 0.22 N ATOM 692 CA GLU A 47 -7.089 8.768 5.267 1.00 0.27 C ATOM 693 C GLU A 47 -7.022 7.431 4.535 1.00 0.29 C ATOM 694 O GLU A 47 -6.981 7.372 3.324 1.00 0.32 O ATOM 695 CB GLU A 47 -5.690 9.145 5.775 1.00 0.32 C ATOM 696 CG GLU A 47 -5.645 10.633 6.135 1.00 0.32 C ATOM 697 CD GLU A 47 -4.196 11.049 6.401 1.00 0.59 C ATOM 698 OE1 GLU A 47 -3.523 11.415 5.451 1.00 0.97 O ATOM 699 OE2 GLU A 47 -3.786 10.997 7.548 1.00 0.46 O ATOM 0 H GLU A 47 -7.624 8.780 7.335 1.00 0.22 H new ATOM 0 HA GLU A 47 -7.438 9.557 4.601 1.00 0.27 H new ATOM 0 HB2 GLU A 47 -5.437 8.544 6.648 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -4.945 8.925 5.010 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -6.062 11.228 5.322 1.00 0.32 H new ATOM 0 HG3 GLU A 47 -6.257 10.824 7.016 1.00 0.32 H new ATOM 706 N LEU A 48 -7.021 6.351 5.271 1.00 0.30 N ATOM 707 CA LEU A 48 -6.967 5.013 4.625 1.00 0.33 C ATOM 708 C LEU A 48 -8.300 4.722 3.925 1.00 0.29 C ATOM 709 O LEU A 48 -8.333 4.282 2.798 1.00 0.31 O ATOM 710 CB LEU A 48 -6.724 3.936 5.691 1.00 0.36 C ATOM 711 CG LEU A 48 -5.265 3.960 6.177 1.00 0.35 C ATOM 712 CD1 LEU A 48 -5.103 2.953 7.324 1.00 0.49 C ATOM 713 CD2 LEU A 48 -4.305 3.590 5.023 1.00 0.65 C ATOM 0 H LEU A 48 -7.055 6.341 6.290 1.00 0.30 H new ATOM 0 HA LEU A 48 -6.157 5.004 3.896 1.00 0.33 H new ATOM 0 HB2 LEU A 48 -7.395 4.097 6.535 1.00 0.36 H new ATOM 0 HB3 LEU A 48 -6.958 2.954 5.281 1.00 0.36 H new ATOM 0 HG LEU A 48 -5.020 4.964 6.524 1.00 0.35 H new ATOM 0 HD11 LEU A 48 -4.071 2.964 7.675 1.00 0.49 H new ATOM 0 HD12 LEU A 48 -5.768 3.225 8.144 1.00 0.49 H new ATOM 0 HD13 LEU A 48 -5.355 1.954 6.969 1.00 0.49 H new ATOM 0 HD21 LEU A 48 -3.277 3.612 5.384 1.00 0.65 H new ATOM 0 HD22 LEU A 48 -4.541 2.590 4.660 1.00 0.65 H new ATOM 0 HD23 LEU A 48 -4.419 4.307 4.210 1.00 0.65 H new ATOM 725 N GLN A 49 -9.396 4.947 4.595 1.00 0.24 N ATOM 726 CA GLN A 49 -10.723 4.657 3.976 1.00 0.18 C ATOM 727 C GLN A 49 -10.953 5.544 2.752 1.00 0.18 C ATOM 728 O GLN A 49 -11.737 5.221 1.881 1.00 0.16 O ATOM 729 CB GLN A 49 -11.833 4.920 5.001 1.00 0.15 C ATOM 730 CG GLN A 49 -11.863 3.804 6.052 1.00 0.17 C ATOM 731 CD GLN A 49 -13.135 3.933 6.889 1.00 1.05 C ATOM 732 OE1 GLN A 49 -14.215 3.614 6.430 1.00 1.40 O ATOM 733 NE2 GLN A 49 -13.056 4.389 8.109 1.00 2.25 N ATOM 0 H GLN A 49 -9.432 5.319 5.544 1.00 0.24 H new ATOM 0 HA GLN A 49 -10.739 3.613 3.664 1.00 0.18 H new ATOM 0 HB2 GLN A 49 -11.668 5.882 5.487 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -12.797 4.979 4.496 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -11.831 2.829 5.565 1.00 0.17 H new ATOM 0 HG3 GLN A 49 -10.984 3.869 6.693 1.00 0.17 H new ATOM 0 HE21 GLN A 49 -12.151 4.657 8.496 1.00 2.25 H new ATOM 0 HE22 GLN A 49 -13.899 4.477 8.676 1.00 2.25 H new ATOM 742 N ASP A 50 -10.292 6.661 2.676 1.00 0.21 N ATOM 743 CA ASP A 50 -10.494 7.560 1.505 1.00 0.23 C ATOM 744 C ASP A 50 -9.803 6.964 0.285 1.00 0.26 C ATOM 745 O ASP A 50 -10.376 6.865 -0.783 1.00 0.27 O ATOM 746 CB ASP A 50 -9.895 8.936 1.806 1.00 0.25 C ATOM 747 CG ASP A 50 -10.771 9.666 2.825 1.00 0.95 C ATOM 748 OD1 ASP A 50 -11.894 9.231 3.030 1.00 1.73 O ATOM 749 OD2 ASP A 50 -10.307 10.645 3.382 1.00 1.54 O ATOM 0 H ASP A 50 -9.622 6.992 3.370 1.00 0.21 H new ATOM 0 HA ASP A 50 -11.561 7.664 1.307 1.00 0.23 H new ATOM 0 HB2 ASP A 50 -8.883 8.826 2.195 1.00 0.25 H new ATOM 0 HB3 ASP A 50 -9.822 9.521 0.889 1.00 0.25 H new ATOM 890 N GLY A 61 -11.940 -5.373 -2.907 1.00 0.12 N ATOM 891 CA GLY A 61 -11.432 -5.132 -1.522 1.00 0.13 C ATOM 892 C GLY A 61 -9.980 -5.602 -1.394 1.00 0.17 C ATOM 893 O GLY A 61 -9.546 -6.000 -0.331 1.00 0.28 O ATOM 0 HA2 GLY A 61 -11.499 -4.071 -1.283 1.00 0.13 H new ATOM 0 HA3 GLY A 61 -12.056 -5.661 -0.802 1.00 0.13 H new ATOM 897 N THR A 62 -9.226 -5.566 -2.467 1.00 0.13 N ATOM 898 CA THR A 62 -7.795 -6.014 -2.414 1.00 0.15 C ATOM 899 C THR A 62 -6.901 -4.991 -3.126 1.00 0.13 C ATOM 900 O THR A 62 -7.375 -4.089 -3.788 1.00 0.13 O ATOM 901 CB THR A 62 -7.669 -7.368 -3.112 1.00 0.21 C ATOM 902 OG1 THR A 62 -8.351 -7.320 -4.358 1.00 0.26 O ATOM 903 CG2 THR A 62 -8.285 -8.460 -2.233 1.00 0.42 C ATOM 0 H THR A 62 -9.541 -5.244 -3.382 1.00 0.13 H new ATOM 0 HA THR A 62 -7.481 -6.101 -1.374 1.00 0.15 H new ATOM 0 HB THR A 62 -6.616 -7.593 -3.280 1.00 0.21 H new ATOM 0 HG1 THR A 62 -8.270 -8.187 -4.809 1.00 0.26 H new ATOM 0 HG21 THR A 62 -8.194 -9.424 -2.733 1.00 0.42 H new ATOM 0 HG22 THR A 62 -7.762 -8.496 -1.277 1.00 0.42 H new ATOM 0 HG23 THR A 62 -9.338 -8.238 -2.062 1.00 0.42 H new ATOM 911 N ILE A 63 -5.604 -5.127 -2.990 1.00 0.11 N ATOM 912 CA ILE A 63 -4.657 -4.172 -3.647 1.00 0.10 C ATOM 913 C ILE A 63 -3.460 -4.956 -4.190 1.00 0.10 C ATOM 914 O ILE A 63 -2.926 -5.818 -3.526 1.00 0.10 O ATOM 915 CB ILE A 63 -4.172 -3.160 -2.599 1.00 0.10 C ATOM 916 CG1 ILE A 63 -5.349 -2.814 -1.679 1.00 0.10 C ATOM 917 CG2 ILE A 63 -3.632 -1.887 -3.277 1.00 0.11 C ATOM 918 CD1 ILE A 63 -4.992 -1.646 -0.760 1.00 0.12 C ATOM 0 H ILE A 63 -5.157 -5.866 -2.447 1.00 0.11 H new ATOM 0 HA ILE A 63 -5.153 -3.648 -4.464 1.00 0.10 H new ATOM 0 HB ILE A 63 -3.359 -3.596 -2.019 1.00 0.10 H new ATOM 0 HG12 ILE A 63 -6.222 -2.557 -2.279 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -5.618 -3.685 -1.081 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -3.294 -1.184 -2.515 1.00 0.11 H new ATOM 0 HG22 ILE A 63 -2.796 -2.147 -3.927 1.00 0.11 H new ATOM 0 HG23 ILE A 63 -4.423 -1.427 -3.870 1.00 0.11 H new ATOM 0 HD11 ILE A 63 -5.841 -1.417 -0.116 1.00 0.12 H new ATOM 0 HD12 ILE A 63 -4.133 -1.916 -0.146 1.00 0.12 H new ATOM 0 HD13 ILE A 63 -4.747 -0.771 -1.362 1.00 0.12 H new ATOM 930 N ASP A 64 -3.033 -4.655 -5.386 1.00 0.09 N ATOM 931 CA ASP A 64 -1.857 -5.367 -5.980 1.00 0.09 C ATOM 932 C ASP A 64 -0.611 -4.470 -5.818 1.00 0.09 C ATOM 933 O ASP A 64 -0.721 -3.310 -5.474 1.00 0.11 O ATOM 934 CB ASP A 64 -2.153 -5.670 -7.458 1.00 0.11 C ATOM 935 CG ASP A 64 -2.350 -4.366 -8.238 1.00 0.16 C ATOM 936 OD1 ASP A 64 -1.896 -3.337 -7.768 1.00 0.11 O ATOM 937 OD2 ASP A 64 -2.951 -4.422 -9.298 1.00 0.37 O ATOM 0 H ASP A 64 -3.449 -3.941 -5.984 1.00 0.09 H new ATOM 0 HA ASP A 64 -1.669 -6.314 -5.474 1.00 0.09 H new ATOM 0 HB2 ASP A 64 -1.331 -6.240 -7.891 1.00 0.11 H new ATOM 0 HB3 ASP A 64 -3.047 -6.288 -7.538 1.00 0.11 H new ATOM 942 N PHE A 65 0.574 -5.000 -6.018 1.00 0.07 N ATOM 943 CA PHE A 65 1.813 -4.170 -5.821 1.00 0.07 C ATOM 944 C PHE A 65 1.880 -2.935 -6.755 1.00 0.10 C ATOM 945 O PHE A 65 2.228 -1.874 -6.278 1.00 0.12 O ATOM 946 CB PHE A 65 3.079 -5.044 -5.959 1.00 0.06 C ATOM 947 CG PHE A 65 4.306 -4.265 -5.514 1.00 0.05 C ATOM 948 CD1 PHE A 65 4.427 -3.832 -4.184 1.00 1.89 C ATOM 949 CD2 PHE A 65 5.326 -3.984 -6.435 1.00 1.80 C ATOM 950 CE1 PHE A 65 5.565 -3.118 -3.784 1.00 1.87 C ATOM 951 CE2 PHE A 65 6.460 -3.271 -6.029 1.00 1.81 C ATOM 952 CZ PHE A 65 6.580 -2.838 -4.707 1.00 0.04 C ATOM 0 H PHE A 65 0.739 -5.964 -6.307 1.00 0.07 H new ATOM 0 HA PHE A 65 1.765 -3.775 -4.806 1.00 0.07 H new ATOM 0 HB2 PHE A 65 2.974 -5.946 -5.357 1.00 0.06 H new ATOM 0 HB3 PHE A 65 3.198 -5.364 -6.994 1.00 0.06 H new ATOM 0 HD1 PHE A 65 3.645 -4.048 -3.471 1.00 1.89 H new ATOM 0 HD2 PHE A 65 5.236 -4.318 -7.458 1.00 1.80 H new ATOM 0 HE1 PHE A 65 5.659 -2.783 -2.762 1.00 1.87 H new ATOM 0 HE2 PHE A 65 7.244 -3.055 -6.740 1.00 1.81 H new ATOM 0 HZ PHE A 65 7.456 -2.287 -4.396 1.00 0.04 H new ATOM 962 N PRO A 66 1.554 -3.045 -8.037 1.00 0.13 N ATOM 963 CA PRO A 66 1.616 -1.857 -8.906 1.00 0.16 C ATOM 964 C PRO A 66 0.766 -0.737 -8.291 1.00 0.17 C ATOM 965 O PRO A 66 1.231 0.367 -8.084 1.00 0.22 O ATOM 966 CB PRO A 66 1.062 -2.320 -10.273 1.00 0.18 C ATOM 967 CG PRO A 66 0.807 -3.850 -10.171 1.00 0.16 C ATOM 968 CD PRO A 66 1.112 -4.281 -8.716 1.00 0.14 C ATOM 0 HA PRO A 66 2.625 -1.459 -9.018 1.00 0.16 H new ATOM 0 HB2 PRO A 66 0.140 -1.791 -10.513 1.00 0.18 H new ATOM 0 HB3 PRO A 66 1.772 -2.101 -11.070 1.00 0.18 H new ATOM 0 HG2 PRO A 66 -0.225 -4.084 -10.431 1.00 0.16 H new ATOM 0 HG3 PRO A 66 1.443 -4.391 -10.872 1.00 0.16 H new ATOM 0 HD2 PRO A 66 0.229 -4.701 -8.235 1.00 0.14 H new ATOM 0 HD3 PRO A 66 1.887 -5.047 -8.685 1.00 0.14 H new ATOM 976 N GLU A 67 -0.473 -1.017 -7.982 1.00 0.15 N ATOM 977 CA GLU A 67 -1.333 0.027 -7.367 1.00 0.16 C ATOM 978 C GLU A 67 -0.705 0.469 -6.048 1.00 0.15 C ATOM 979 O GLU A 67 -0.822 1.608 -5.646 1.00 0.17 O ATOM 980 CB GLU A 67 -2.735 -0.535 -7.111 1.00 0.18 C ATOM 981 CG GLU A 67 -3.439 -0.774 -8.446 1.00 0.26 C ATOM 982 CD GLU A 67 -4.757 -1.513 -8.204 1.00 0.34 C ATOM 983 OE1 GLU A 67 -4.720 -2.555 -7.570 1.00 0.17 O ATOM 984 OE2 GLU A 67 -5.779 -1.026 -8.656 1.00 0.60 O ATOM 0 H GLU A 67 -0.922 -1.921 -8.130 1.00 0.15 H new ATOM 0 HA GLU A 67 -1.415 0.879 -8.042 1.00 0.16 H new ATOM 0 HB2 GLU A 67 -2.668 -1.468 -6.551 1.00 0.18 H new ATOM 0 HB3 GLU A 67 -3.312 0.161 -6.503 1.00 0.18 H new ATOM 0 HG2 GLU A 67 -3.629 0.177 -8.944 1.00 0.26 H new ATOM 0 HG3 GLU A 67 -2.799 -1.358 -9.107 1.00 0.26 H new ATOM 991 N PHE A 68 -0.022 -0.420 -5.373 1.00 0.12 N ATOM 992 CA PHE A 68 0.623 -0.024 -4.093 1.00 0.13 C ATOM 993 C PHE A 68 1.711 1.000 -4.409 1.00 0.13 C ATOM 994 O PHE A 68 1.919 1.947 -3.679 1.00 0.16 O ATOM 995 CB PHE A 68 1.236 -1.242 -3.388 1.00 0.11 C ATOM 996 CG PHE A 68 1.639 -0.847 -1.989 1.00 0.10 C ATOM 997 CD1 PHE A 68 0.687 -0.854 -0.963 1.00 0.09 C ATOM 998 CD2 PHE A 68 2.957 -0.466 -1.717 1.00 0.11 C ATOM 999 CE1 PHE A 68 1.053 -0.482 0.335 1.00 0.09 C ATOM 1000 CE2 PHE A 68 3.323 -0.091 -0.418 1.00 0.11 C ATOM 1001 CZ PHE A 68 2.370 -0.100 0.608 1.00 0.10 C ATOM 0 H PHE A 68 0.114 -1.392 -5.652 1.00 0.12 H new ATOM 0 HA PHE A 68 -0.123 0.404 -3.424 1.00 0.13 H new ATOM 0 HB2 PHE A 68 0.517 -2.060 -3.356 1.00 0.11 H new ATOM 0 HB3 PHE A 68 2.103 -1.601 -3.942 1.00 0.11 H new ATOM 0 HD1 PHE A 68 -0.331 -1.147 -1.174 1.00 0.09 H new ATOM 0 HD2 PHE A 68 3.692 -0.461 -2.508 1.00 0.11 H new ATOM 0 HE1 PHE A 68 0.318 -0.490 1.126 1.00 0.09 H new ATOM 0 HE2 PHE A 68 4.340 0.205 -0.208 1.00 0.11 H new ATOM 0 HZ PHE A 68 2.652 0.188 1.610 1.00 0.10 H new ATOM 1011 N LEU A 69 2.397 0.829 -5.511 1.00 0.11 N ATOM 1012 CA LEU A 69 3.454 1.812 -5.882 1.00 0.12 C ATOM 1013 C LEU A 69 2.791 3.153 -6.199 1.00 0.15 C ATOM 1014 O LEU A 69 3.404 4.199 -6.101 1.00 0.17 O ATOM 1015 CB LEU A 69 4.210 1.325 -7.126 1.00 0.07 C ATOM 1016 CG LEU A 69 4.975 0.029 -6.830 1.00 0.15 C ATOM 1017 CD1 LEU A 69 5.718 -0.403 -8.097 1.00 0.17 C ATOM 1018 CD2 LEU A 69 5.987 0.251 -5.692 1.00 0.24 C ATOM 0 H LEU A 69 2.271 0.056 -6.164 1.00 0.11 H new ATOM 0 HA LEU A 69 4.154 1.920 -5.054 1.00 0.12 H new ATOM 0 HB2 LEU A 69 3.507 1.158 -7.942 1.00 0.07 H new ATOM 0 HB3 LEU A 69 4.906 2.095 -7.458 1.00 0.07 H new ATOM 0 HG LEU A 69 4.271 -0.744 -6.523 1.00 0.15 H new ATOM 0 HD11 LEU A 69 6.267 -1.324 -7.901 1.00 0.17 H new ATOM 0 HD12 LEU A 69 5.000 -0.572 -8.900 1.00 0.17 H new ATOM 0 HD13 LEU A 69 6.417 0.379 -8.394 1.00 0.17 H new ATOM 0 HD21 LEU A 69 6.522 -0.678 -5.494 1.00 0.24 H new ATOM 0 HD22 LEU A 69 6.698 1.024 -5.983 1.00 0.24 H new ATOM 0 HD23 LEU A 69 5.459 0.565 -4.792 1.00 0.24 H new ATOM 1030 N THR A 70 1.542 3.131 -6.579 1.00 0.18 N ATOM 1031 CA THR A 70 0.838 4.400 -6.903 1.00 0.23 C ATOM 1032 C THR A 70 0.418 5.091 -5.604 1.00 0.26 C ATOM 1033 O THR A 70 0.195 6.285 -5.568 1.00 0.26 O ATOM 1034 CB THR A 70 -0.395 4.093 -7.764 1.00 0.22 C ATOM 1035 OG1 THR A 70 0.022 3.503 -8.988 1.00 0.23 O ATOM 1036 CG2 THR A 70 -1.156 5.387 -8.056 1.00 0.22 C ATOM 0 H THR A 70 0.980 2.286 -6.679 1.00 0.18 H new ATOM 0 HA THR A 70 1.502 5.062 -7.459 1.00 0.23 H new ATOM 0 HB THR A 70 -1.049 3.405 -7.228 1.00 0.22 H new ATOM 0 HG1 THR A 70 -0.763 3.304 -9.540 1.00 0.23 H new ATOM 0 HG21 THR A 70 -2.031 5.165 -8.667 1.00 0.22 H new ATOM 0 HG22 THR A 70 -1.475 5.841 -7.118 1.00 0.22 H new ATOM 0 HG23 THR A 70 -0.506 6.079 -8.591 1.00 0.22 H new ATOM 1044 N MET A 71 0.322 4.350 -4.533 1.00 0.37 N ATOM 1045 CA MET A 71 -0.068 4.974 -3.233 1.00 0.42 C ATOM 1046 C MET A 71 1.141 5.706 -2.642 1.00 0.36 C ATOM 1047 O MET A 71 1.040 6.831 -2.192 1.00 0.30 O ATOM 1048 CB MET A 71 -0.549 3.899 -2.238 1.00 0.58 C ATOM 1049 CG MET A 71 -1.893 3.277 -2.700 1.00 0.43 C ATOM 1050 SD MET A 71 -3.089 3.294 -1.332 1.00 0.51 S ATOM 1051 CE MET A 71 -3.883 1.704 -1.678 1.00 0.41 C ATOM 0 H MET A 71 0.495 3.345 -4.500 1.00 0.37 H new ATOM 0 HA MET A 71 -0.882 5.677 -3.410 1.00 0.42 H new ATOM 0 HB2 MET A 71 0.206 3.118 -2.148 1.00 0.58 H new ATOM 0 HB3 MET A 71 -0.670 4.341 -1.249 1.00 0.58 H new ATOM 0 HG2 MET A 71 -2.290 3.836 -3.548 1.00 0.43 H new ATOM 0 HG3 MET A 71 -1.732 2.254 -3.040 1.00 0.43 H new ATOM 0 HE1 MET A 71 -4.742 1.575 -1.019 1.00 0.41 H new ATOM 0 HE2 MET A 71 -4.215 1.681 -2.716 1.00 0.41 H new ATOM 0 HE3 MET A 71 -3.171 0.897 -1.507 1.00 0.41 H new ATOM 1061 N MET A 72 2.289 5.081 -2.638 1.00 0.39 N ATOM 1062 CA MET A 72 3.498 5.745 -2.076 1.00 0.37 C ATOM 1063 C MET A 72 3.893 6.927 -2.962 1.00 0.30 C ATOM 1064 O MET A 72 4.400 7.926 -2.487 1.00 0.29 O ATOM 1065 CB MET A 72 4.655 4.743 -2.015 1.00 0.44 C ATOM 1066 CG MET A 72 4.294 3.585 -1.075 1.00 0.52 C ATOM 1067 SD MET A 72 5.810 2.820 -0.451 1.00 2.02 S ATOM 1068 CE MET A 72 6.026 3.889 0.993 1.00 0.71 C ATOM 0 H MET A 72 2.440 4.139 -3.000 1.00 0.39 H new ATOM 0 HA MET A 72 3.277 6.103 -1.071 1.00 0.37 H new ATOM 0 HB2 MET A 72 4.869 4.360 -3.013 1.00 0.44 H new ATOM 0 HB3 MET A 72 5.560 5.240 -1.664 1.00 0.44 H new ATOM 0 HG2 MET A 72 3.690 3.951 -0.245 1.00 0.52 H new ATOM 0 HG3 MET A 72 3.693 2.846 -1.605 1.00 0.52 H new ATOM 0 HE1 MET A 72 6.984 3.672 1.466 1.00 0.71 H new ATOM 0 HE2 MET A 72 6.004 4.933 0.680 1.00 0.71 H new ATOM 0 HE3 MET A 72 5.221 3.707 1.704 1.00 0.71 H new ATOM 1078 N ALA A 73 3.670 6.831 -4.246 1.00 0.27 N ATOM 1079 CA ALA A 73 4.041 7.956 -5.142 1.00 0.24 C ATOM 1080 C ALA A 73 3.131 9.154 -4.860 1.00 0.26 C ATOM 1081 O ALA A 73 3.538 10.293 -4.974 1.00 0.24 O ATOM 1082 CB ALA A 73 3.899 7.522 -6.603 1.00 0.24 C ATOM 0 H ALA A 73 3.249 6.025 -4.708 1.00 0.27 H new ATOM 0 HA ALA A 73 5.077 8.241 -4.957 1.00 0.24 H new ATOM 0 HB1 ALA A 73 4.172 8.350 -7.257 1.00 0.24 H new ATOM 0 HB2 ALA A 73 4.557 6.675 -6.796 1.00 0.24 H new ATOM 0 HB3 ALA A 73 2.867 7.231 -6.798 1.00 0.24 H new ATOM 1222 N GLU A 82 13.368 13.834 0.419 1.00 0.23 N ATOM 1223 CA GLU A 82 14.643 14.548 0.171 1.00 0.25 C ATOM 1224 C GLU A 82 14.476 16.036 0.521 1.00 0.20 C ATOM 1225 O GLU A 82 15.393 16.685 0.984 1.00 0.19 O ATOM 1226 CB GLU A 82 15.028 14.334 -1.314 1.00 0.48 C ATOM 1227 CG GLU A 82 14.683 15.559 -2.178 1.00 1.68 C ATOM 1228 CD GLU A 82 14.792 15.188 -3.659 1.00 1.54 C ATOM 1229 OE1 GLU A 82 15.903 15.159 -4.161 1.00 1.71 O ATOM 1230 OE2 GLU A 82 13.763 14.935 -4.262 1.00 1.97 O ATOM 0 HA GLU A 82 15.445 14.161 0.799 1.00 0.25 H new ATOM 0 HB2 GLU A 82 16.096 14.128 -1.386 1.00 0.48 H new ATOM 0 HB3 GLU A 82 14.507 13.458 -1.701 1.00 0.48 H new ATOM 0 HG2 GLU A 82 13.674 15.904 -1.952 1.00 1.68 H new ATOM 0 HG3 GLU A 82 15.360 16.382 -1.948 1.00 1.68 H new ATOM 1237 N GLU A 83 13.311 16.569 0.302 1.00 0.19 N ATOM 1238 CA GLU A 83 13.064 18.006 0.615 1.00 0.16 C ATOM 1239 C GLU A 83 13.069 18.211 2.131 1.00 0.11 C ATOM 1240 O GLU A 83 13.241 19.308 2.621 1.00 0.11 O ATOM 1241 CB GLU A 83 11.701 18.430 0.033 1.00 0.22 C ATOM 1242 CG GLU A 83 11.849 18.762 -1.456 1.00 0.78 C ATOM 1243 CD GLU A 83 10.463 18.846 -2.099 1.00 0.97 C ATOM 1244 OE1 GLU A 83 9.489 18.826 -1.365 1.00 0.99 O ATOM 1245 OE2 GLU A 83 10.400 18.930 -3.315 1.00 2.22 O ATOM 0 H GLU A 83 12.510 16.069 -0.084 1.00 0.19 H new ATOM 0 HA GLU A 83 13.851 18.616 0.171 1.00 0.16 H new ATOM 0 HB2 GLU A 83 10.974 17.628 0.165 1.00 0.22 H new ATOM 0 HB3 GLU A 83 11.320 19.298 0.572 1.00 0.22 H new ATOM 0 HG2 GLU A 83 12.376 19.708 -1.578 1.00 0.78 H new ATOM 0 HG3 GLU A 83 12.447 17.997 -1.953 1.00 0.78 H new ATOM 1252 N GLU A 84 12.876 17.160 2.875 1.00 0.09 N ATOM 1253 CA GLU A 84 12.862 17.279 4.359 1.00 0.07 C ATOM 1254 C GLU A 84 14.295 17.261 4.889 1.00 0.08 C ATOM 1255 O GLU A 84 14.660 18.027 5.760 1.00 0.13 O ATOM 1256 CB GLU A 84 12.077 16.108 4.952 1.00 0.08 C ATOM 1257 CG GLU A 84 10.632 16.157 4.452 1.00 0.30 C ATOM 1258 CD GLU A 84 9.896 17.314 5.132 1.00 1.19 C ATOM 1259 OE1 GLU A 84 10.203 17.590 6.280 1.00 1.64 O ATOM 1260 OE2 GLU A 84 9.040 17.902 4.493 1.00 2.28 O ATOM 0 H GLU A 84 12.726 16.217 2.517 1.00 0.09 H new ATOM 0 HA GLU A 84 12.387 18.217 4.646 1.00 0.07 H new ATOM 0 HB2 GLU A 84 12.540 15.164 4.666 1.00 0.08 H new ATOM 0 HB3 GLU A 84 12.098 16.156 6.041 1.00 0.08 H new ATOM 0 HG2 GLU A 84 10.615 16.287 3.370 1.00 0.30 H new ATOM 0 HG3 GLU A 84 10.129 15.215 4.668 1.00 0.30 H new ATOM 1267 N ILE A 85 15.108 16.394 4.365 1.00 0.09 N ATOM 1268 CA ILE A 85 16.524 16.320 4.829 1.00 0.14 C ATOM 1269 C ILE A 85 17.297 17.527 4.285 1.00 0.08 C ATOM 1270 O ILE A 85 18.093 18.126 4.981 1.00 0.09 O ATOM 1271 CB ILE A 85 17.164 15.010 4.327 1.00 0.20 C ATOM 1272 CG1 ILE A 85 16.700 13.843 5.213 1.00 0.27 C ATOM 1273 CG2 ILE A 85 18.699 15.120 4.383 1.00 0.21 C ATOM 1274 CD1 ILE A 85 17.205 12.526 4.623 1.00 0.30 C ATOM 0 H ILE A 85 14.856 15.730 3.633 1.00 0.09 H new ATOM 0 HA ILE A 85 16.557 16.334 5.918 1.00 0.14 H new ATOM 0 HB ILE A 85 16.857 14.832 3.296 1.00 0.20 H new ATOM 0 HG12 ILE A 85 17.079 13.969 6.227 1.00 0.27 H new ATOM 0 HG13 ILE A 85 15.612 13.832 5.278 1.00 0.27 H new ATOM 0 HG21 ILE A 85 19.144 14.191 4.027 1.00 0.21 H new ATOM 0 HG22 ILE A 85 19.028 15.945 3.751 1.00 0.21 H new ATOM 0 HG23 ILE A 85 19.013 15.302 5.411 1.00 0.21 H new ATOM 0 HD11 ILE A 85 16.877 11.697 5.250 1.00 0.30 H new ATOM 0 HD12 ILE A 85 16.805 12.401 3.617 1.00 0.30 H new ATOM 0 HD13 ILE A 85 18.294 12.540 4.581 1.00 0.30 H new ATOM 1286 N ARG A 86 17.081 17.887 3.050 1.00 0.06 N ATOM 1287 CA ARG A 86 17.819 19.048 2.483 1.00 0.09 C ATOM 1288 C ARG A 86 17.435 20.311 3.253 1.00 0.11 C ATOM 1289 O ARG A 86 18.271 21.139 3.560 1.00 0.17 O ATOM 1290 CB ARG A 86 17.458 19.215 1.005 1.00 0.14 C ATOM 1291 CG ARG A 86 18.211 20.412 0.423 1.00 0.60 C ATOM 1292 CD ARG A 86 17.983 20.474 -1.090 1.00 0.60 C ATOM 1293 NE ARG A 86 16.520 20.446 -1.373 1.00 0.90 N ATOM 1294 CZ ARG A 86 16.075 20.786 -2.552 1.00 1.64 C ATOM 1295 NH1 ARG A 86 16.911 21.148 -3.487 1.00 1.61 N ATOM 1296 NH2 ARG A 86 14.793 20.764 -2.798 1.00 2.72 N ATOM 0 H ARG A 86 16.429 17.430 2.413 1.00 0.06 H new ATOM 0 HA ARG A 86 18.892 18.878 2.571 1.00 0.09 H new ATOM 0 HB2 ARG A 86 17.713 18.310 0.454 1.00 0.14 H new ATOM 0 HB3 ARG A 86 16.383 19.362 0.897 1.00 0.14 H new ATOM 0 HG2 ARG A 86 17.867 21.334 0.891 1.00 0.60 H new ATOM 0 HG3 ARG A 86 19.276 20.324 0.637 1.00 0.60 H new ATOM 0 HD2 ARG A 86 18.426 21.382 -1.498 1.00 0.60 H new ATOM 0 HD3 ARG A 86 18.475 19.632 -1.578 1.00 0.60 H new ATOM 0 HE ARG A 86 15.866 20.161 -0.644 1.00 0.90 H new ATOM 0 HH11 ARG A 86 17.913 21.165 -3.297 1.00 1.61 H new ATOM 0 HH12 ARG A 86 16.562 21.414 -4.408 1.00 1.61 H new ATOM 0 HH21 ARG A 86 14.139 20.481 -2.069 1.00 2.72 H new ATOM 0 HH22 ARG A 86 14.446 21.030 -3.720 1.00 2.72 H new ATOM 1310 N GLU A 87 16.178 20.470 3.577 1.00 0.09 N ATOM 1311 CA GLU A 87 15.769 21.685 4.333 1.00 0.12 C ATOM 1312 C GLU A 87 16.370 21.622 5.737 1.00 0.10 C ATOM 1313 O GLU A 87 16.563 22.634 6.379 1.00 0.10 O ATOM 1314 CB GLU A 87 14.231 21.780 4.406 1.00 0.14 C ATOM 1315 CG GLU A 87 13.691 22.403 3.115 1.00 0.39 C ATOM 1316 CD GLU A 87 13.988 23.904 3.108 1.00 1.85 C ATOM 1317 OE1 GLU A 87 13.469 24.594 3.971 1.00 2.39 O ATOM 1318 OE2 GLU A 87 14.725 24.338 2.242 1.00 3.05 O ATOM 0 H GLU A 87 15.426 19.818 3.353 1.00 0.09 H new ATOM 0 HA GLU A 87 16.137 22.574 3.821 1.00 0.12 H new ATOM 0 HB2 GLU A 87 13.802 20.788 4.550 1.00 0.14 H new ATOM 0 HB3 GLU A 87 13.934 22.383 5.264 1.00 0.14 H new ATOM 0 HG2 GLU A 87 14.151 21.927 2.249 1.00 0.39 H new ATOM 0 HG3 GLU A 87 12.617 22.234 3.039 1.00 0.39 H new ATOM 1325 N ALA A 88 16.710 20.451 6.210 1.00 0.07 N ATOM 1326 CA ALA A 88 17.343 20.368 7.548 1.00 0.06 C ATOM 1327 C ALA A 88 18.801 20.741 7.368 1.00 0.04 C ATOM 1328 O ALA A 88 19.353 21.534 8.090 1.00 0.06 O ATOM 1329 CB ALA A 88 17.244 18.948 8.097 1.00 0.05 C ATOM 0 H ALA A 88 16.576 19.561 5.730 1.00 0.07 H new ATOM 0 HA ALA A 88 16.844 21.036 8.250 1.00 0.06 H new ATOM 0 HB1 ALA A 88 17.713 18.904 9.080 1.00 0.05 H new ATOM 0 HB2 ALA A 88 16.195 18.663 8.183 1.00 0.05 H new ATOM 0 HB3 ALA A 88 17.752 18.260 7.421 1.00 0.05 H new ATOM 1335 N PHE A 89 19.426 20.193 6.373 1.00 0.05 N ATOM 1336 CA PHE A 89 20.838 20.550 6.134 1.00 0.06 C ATOM 1337 C PHE A 89 20.889 22.061 5.900 1.00 0.07 C ATOM 1338 O PHE A 89 21.888 22.706 6.149 1.00 0.08 O ATOM 1339 CB PHE A 89 21.376 19.783 4.914 1.00 0.07 C ATOM 1340 CG PHE A 89 21.892 18.422 5.348 1.00 0.07 C ATOM 1341 CD1 PHE A 89 23.027 18.336 6.169 1.00 0.09 C ATOM 1342 CD2 PHE A 89 21.231 17.242 4.946 1.00 0.06 C ATOM 1343 CE1 PHE A 89 23.493 17.091 6.570 1.00 0.11 C ATOM 1344 CE2 PHE A 89 21.716 15.987 5.369 1.00 0.09 C ATOM 1345 CZ PHE A 89 22.858 15.929 6.183 1.00 0.11 C ATOM 0 H PHE A 89 19.023 19.520 5.721 1.00 0.05 H new ATOM 0 HA PHE A 89 21.462 20.281 6.987 1.00 0.06 H new ATOM 0 HB2 PHE A 89 20.587 19.663 4.172 1.00 0.07 H new ATOM 0 HB3 PHE A 89 22.176 20.351 4.440 1.00 0.07 H new ATOM 0 HD1 PHE A 89 23.536 19.234 6.487 1.00 0.09 H new ATOM 0 HD2 PHE A 89 20.356 17.300 4.316 1.00 0.06 H new ATOM 0 HE1 PHE A 89 24.370 17.031 7.197 1.00 0.11 H new ATOM 0 HE2 PHE A 89 21.213 15.079 5.069 1.00 0.09 H new ATOM 0 HZ PHE A 89 23.241 14.972 6.507 1.00 0.11 H new ATOM 1355 N ARG A 90 19.797 22.636 5.460 1.00 0.07 N ATOM 1356 CA ARG A 90 19.766 24.108 5.257 1.00 0.07 C ATOM 1357 C ARG A 90 19.858 24.770 6.631 1.00 0.06 C ATOM 1358 O ARG A 90 20.637 25.674 6.854 1.00 0.07 O ATOM 1359 CB ARG A 90 18.454 24.501 4.572 1.00 0.06 C ATOM 1360 CG ARG A 90 18.558 25.933 4.032 1.00 0.35 C ATOM 1361 CD ARG A 90 17.206 26.384 3.422 1.00 0.34 C ATOM 1362 NE ARG A 90 16.810 27.731 3.960 1.00 1.93 N ATOM 1363 CZ ARG A 90 16.715 27.960 5.246 1.00 3.33 C ATOM 1364 NH1 ARG A 90 16.888 26.994 6.104 1.00 3.73 N ATOM 1365 NH2 ARG A 90 16.419 29.158 5.668 1.00 4.69 N ATOM 0 H ARG A 90 18.931 22.147 5.235 1.00 0.07 H new ATOM 0 HA ARG A 90 20.596 24.429 4.627 1.00 0.07 H new ATOM 0 HB2 ARG A 90 18.237 23.810 3.757 1.00 0.06 H new ATOM 0 HB3 ARG A 90 17.628 24.428 5.279 1.00 0.06 H new ATOM 0 HG2 ARG A 90 18.845 26.611 4.836 1.00 0.35 H new ATOM 0 HG3 ARG A 90 19.341 25.986 3.275 1.00 0.35 H new ATOM 0 HD2 ARG A 90 17.287 26.429 2.336 1.00 0.34 H new ATOM 0 HD3 ARG A 90 16.433 25.651 3.654 1.00 0.34 H new ATOM 0 HE ARG A 90 16.610 28.487 3.305 1.00 1.93 H new ATOM 0 HH11 ARG A 90 17.099 26.052 5.775 1.00 3.73 H new ATOM 0 HH12 ARG A 90 16.812 27.180 7.104 1.00 3.73 H new ATOM 0 HH21 ARG A 90 16.263 29.911 4.998 1.00 4.69 H new ATOM 0 HH22 ARG A 90 16.344 29.342 6.668 1.00 4.69 H new ATOM 1379 N VAL A 91 19.079 24.288 7.563 1.00 0.06 N ATOM 1380 CA VAL A 91 19.121 24.841 8.950 1.00 0.06 C ATOM 1381 C VAL A 91 20.571 24.795 9.432 1.00 0.09 C ATOM 1382 O VAL A 91 20.951 25.452 10.381 1.00 0.11 O ATOM 1383 CB VAL A 91 18.244 23.951 9.873 1.00 0.04 C ATOM 1384 CG1 VAL A 91 18.767 23.957 11.319 1.00 0.06 C ATOM 1385 CG2 VAL A 91 16.791 24.453 9.861 1.00 0.02 C ATOM 0 H VAL A 91 18.411 23.530 7.423 1.00 0.06 H new ATOM 0 HA VAL A 91 18.747 25.865 8.970 1.00 0.06 H new ATOM 0 HB VAL A 91 18.290 22.931 9.491 1.00 0.04 H new ATOM 0 HG11 VAL A 91 18.131 23.325 11.939 1.00 0.06 H new ATOM 0 HG12 VAL A 91 19.788 23.575 11.338 1.00 0.06 H new ATOM 0 HG13 VAL A 91 18.754 24.976 11.707 1.00 0.06 H new ATOM 0 HG21 VAL A 91 16.183 23.823 10.511 1.00 0.02 H new ATOM 0 HG22 VAL A 91 16.759 25.482 10.219 1.00 0.02 H new ATOM 0 HG23 VAL A 91 16.400 24.410 8.845 1.00 0.02 H new ATOM 1395 N PHE A 92 21.361 23.966 8.815 1.00 0.10 N ATOM 1396 CA PHE A 92 22.770 23.781 9.254 1.00 0.13 C ATOM 1397 C PHE A 92 23.747 24.574 8.384 1.00 0.17 C ATOM 1398 O PHE A 92 24.909 24.718 8.706 1.00 0.19 O ATOM 1399 CB PHE A 92 23.027 22.274 9.203 1.00 0.12 C ATOM 1400 CG PHE A 92 22.654 21.685 10.533 1.00 0.11 C ATOM 1401 CD1 PHE A 92 21.342 21.254 10.799 1.00 0.07 C ATOM 1402 CD2 PHE A 92 23.629 21.610 11.510 1.00 0.17 C ATOM 1403 CE1 PHE A 92 21.018 20.752 12.057 1.00 0.13 C ATOM 1404 CE2 PHE A 92 23.313 21.098 12.776 1.00 0.21 C ATOM 1405 CZ PHE A 92 21.998 20.672 13.047 1.00 0.19 C ATOM 0 H PHE A 92 21.086 23.400 8.012 1.00 0.10 H new ATOM 0 HA PHE A 92 22.928 24.166 10.262 1.00 0.13 H new ATOM 0 HB2 PHE A 92 22.440 21.816 8.407 1.00 0.12 H new ATOM 0 HB3 PHE A 92 24.075 22.075 8.981 1.00 0.12 H new ATOM 0 HD1 PHE A 92 20.587 21.312 10.029 1.00 0.07 H new ATOM 0 HD2 PHE A 92 24.633 21.946 11.298 1.00 0.17 H new ATOM 0 HE1 PHE A 92 20.010 20.425 12.266 1.00 0.13 H new ATOM 0 HE2 PHE A 92 24.074 21.030 13.540 1.00 0.21 H new ATOM 0 HZ PHE A 92 21.748 20.283 14.023 1.00 0.19 H new ATOM 1415 N ASP A 93 23.268 25.135 7.329 1.00 0.20 N ATOM 1416 CA ASP A 93 24.133 25.977 6.444 1.00 0.24 C ATOM 1417 C ASP A 93 24.060 27.427 6.942 1.00 0.45 C ATOM 1418 O ASP A 93 23.500 28.291 6.298 1.00 0.55 O ATOM 1419 CB ASP A 93 23.626 25.899 5.000 1.00 0.27 C ATOM 1420 CG ASP A 93 24.440 26.844 4.117 1.00 0.32 C ATOM 1421 OD1 ASP A 93 25.320 27.505 4.643 1.00 1.46 O ATOM 1422 OD2 ASP A 93 24.171 26.890 2.928 1.00 1.03 O ATOM 0 H ASP A 93 22.298 25.053 7.025 1.00 0.20 H new ATOM 0 HA ASP A 93 25.163 25.620 6.473 1.00 0.24 H new ATOM 0 HB2 ASP A 93 23.710 24.877 4.630 1.00 0.27 H new ATOM 0 HB3 ASP A 93 22.570 26.167 4.960 1.00 0.27 H new ATOM 1489 N TYR A 99 27.926 24.320 2.365 1.00 0.14 N ATOM 1490 CA TYR A 99 28.921 23.377 2.972 1.00 0.18 C ATOM 1491 C TYR A 99 28.943 23.523 4.499 1.00 0.19 C ATOM 1492 O TYR A 99 28.846 24.607 5.039 1.00 0.18 O ATOM 1493 CB TYR A 99 30.308 23.696 2.417 1.00 0.15 C ATOM 1494 CG TYR A 99 30.349 23.351 0.949 1.00 0.15 C ATOM 1495 CD1 TYR A 99 29.860 24.264 0.009 1.00 0.78 C ATOM 1496 CD2 TYR A 99 30.869 22.124 0.528 1.00 0.81 C ATOM 1497 CE1 TYR A 99 29.892 23.949 -1.355 1.00 0.80 C ATOM 1498 CE2 TYR A 99 30.903 21.808 -0.834 1.00 0.80 C ATOM 1499 CZ TYR A 99 30.413 22.722 -1.777 1.00 0.18 C ATOM 1500 OH TYR A 99 30.445 22.410 -3.120 1.00 0.21 O ATOM 0 HA TYR A 99 28.638 22.354 2.723 1.00 0.18 H new ATOM 0 HB2 TYR A 99 30.536 24.752 2.561 1.00 0.15 H new ATOM 0 HB3 TYR A 99 31.067 23.130 2.957 1.00 0.15 H new ATOM 0 HD1 TYR A 99 29.458 25.212 0.335 1.00 0.78 H new ATOM 0 HD2 TYR A 99 31.245 21.419 1.255 1.00 0.81 H new ATOM 0 HE1 TYR A 99 29.514 24.654 -2.081 1.00 0.80 H new ATOM 0 HE2 TYR A 99 31.307 20.860 -1.159 1.00 0.80 H new ATOM 0 HH TYR A 99 30.839 21.521 -3.240 1.00 0.21 H new ATOM 1510 N ILE A 100 29.106 22.423 5.190 1.00 0.20 N ATOM 1511 CA ILE A 100 29.181 22.451 6.688 1.00 0.21 C ATOM 1512 C ILE A 100 30.255 21.453 7.129 1.00 0.19 C ATOM 1513 O ILE A 100 30.683 20.614 6.362 1.00 0.18 O ATOM 1514 CB ILE A 100 27.838 22.051 7.333 1.00 0.23 C ATOM 1515 CG1 ILE A 100 27.401 20.666 6.829 1.00 0.26 C ATOM 1516 CG2 ILE A 100 26.747 23.070 7.003 1.00 0.17 C ATOM 1517 CD1 ILE A 100 26.033 20.294 7.409 1.00 0.31 C ATOM 0 H ILE A 100 29.192 21.494 4.777 1.00 0.20 H new ATOM 0 HA ILE A 100 29.420 23.465 7.007 1.00 0.21 H new ATOM 0 HB ILE A 100 27.981 22.023 8.413 1.00 0.23 H new ATOM 0 HG12 ILE A 100 27.353 20.667 5.740 1.00 0.26 H new ATOM 0 HG13 ILE A 100 28.140 19.918 7.115 1.00 0.26 H new ATOM 0 HG21 ILE A 100 25.811 22.764 7.470 1.00 0.17 H new ATOM 0 HG22 ILE A 100 27.038 24.050 7.381 1.00 0.17 H new ATOM 0 HG23 ILE A 100 26.614 23.123 5.923 1.00 0.17 H new ATOM 0 HD11 ILE A 100 25.738 19.311 7.043 1.00 0.31 H new ATOM 0 HD12 ILE A 100 26.093 20.273 8.497 1.00 0.31 H new ATOM 0 HD13 ILE A 100 25.294 21.033 7.100 1.00 0.31 H new ATOM 1529 N SER A 101 30.689 21.522 8.357 1.00 0.21 N ATOM 1530 CA SER A 101 31.729 20.559 8.830 1.00 0.19 C ATOM 1531 C SER A 101 31.091 19.176 9.026 1.00 0.15 C ATOM 1532 O SER A 101 29.977 19.060 9.497 1.00 0.14 O ATOM 1533 CB SER A 101 32.322 21.049 10.153 1.00 0.20 C ATOM 1534 OG SER A 101 31.296 21.108 11.136 1.00 0.17 O ATOM 0 H SER A 101 30.372 22.198 9.052 1.00 0.21 H new ATOM 0 HA SER A 101 32.524 20.489 8.088 1.00 0.19 H new ATOM 0 HB2 SER A 101 33.116 20.377 10.480 1.00 0.20 H new ATOM 0 HB3 SER A 101 32.771 22.033 10.021 1.00 0.20 H new ATOM 0 HG SER A 101 30.712 21.874 10.954 1.00 0.17 H new ATOM 1540 N ALA A 102 31.789 18.131 8.650 1.00 0.11 N ATOM 1541 CA ALA A 102 31.236 16.746 8.792 1.00 0.07 C ATOM 1542 C ALA A 102 30.503 16.589 10.126 1.00 0.04 C ATOM 1543 O ALA A 102 29.530 15.873 10.225 1.00 0.03 O ATOM 1544 CB ALA A 102 32.382 15.735 8.728 1.00 0.04 C ATOM 0 H ALA A 102 32.725 18.178 8.248 1.00 0.11 H new ATOM 0 HA ALA A 102 30.530 16.568 7.981 1.00 0.07 H new ATOM 0 HB1 ALA A 102 31.983 14.726 8.831 1.00 0.04 H new ATOM 0 HB2 ALA A 102 32.895 15.826 7.771 1.00 0.04 H new ATOM 0 HB3 ALA A 102 33.086 15.931 9.537 1.00 0.04 H new ATOM 1550 N ALA A 103 30.961 17.240 11.153 1.00 0.06 N ATOM 1551 CA ALA A 103 30.270 17.105 12.466 1.00 0.06 C ATOM 1552 C ALA A 103 28.858 17.656 12.333 1.00 0.04 C ATOM 1553 O ALA A 103 27.883 16.983 12.600 1.00 0.07 O ATOM 1554 CB ALA A 103 31.034 17.887 13.538 1.00 0.12 C ATOM 0 H ALA A 103 31.775 17.854 11.145 1.00 0.06 H new ATOM 0 HA ALA A 103 30.232 16.056 12.759 1.00 0.06 H new ATOM 0 HB1 ALA A 103 30.524 17.785 14.496 1.00 0.12 H new ATOM 0 HB2 ALA A 103 32.047 17.494 13.622 1.00 0.12 H new ATOM 0 HB3 ALA A 103 31.076 18.940 13.260 1.00 0.12 H new ATOM 1560 N GLU A 104 28.748 18.873 11.901 1.00 0.04 N ATOM 1561 CA GLU A 104 27.406 19.485 11.721 1.00 0.05 C ATOM 1562 C GLU A 104 26.590 18.615 10.755 1.00 0.05 C ATOM 1563 O GLU A 104 25.376 18.621 10.773 1.00 0.17 O ATOM 1564 CB GLU A 104 27.578 20.896 11.140 1.00 0.08 C ATOM 1565 CG GLU A 104 27.814 21.904 12.271 1.00 0.66 C ATOM 1566 CD GLU A 104 28.354 23.211 11.690 1.00 0.61 C ATOM 1567 OE1 GLU A 104 29.195 23.141 10.808 1.00 0.43 O ATOM 1568 OE2 GLU A 104 27.921 24.260 12.137 1.00 0.81 O ATOM 0 H GLU A 104 29.534 19.477 11.662 1.00 0.04 H new ATOM 0 HA GLU A 104 26.885 19.549 12.676 1.00 0.05 H new ATOM 0 HB2 GLU A 104 28.418 20.912 10.446 1.00 0.08 H new ATOM 0 HB3 GLU A 104 26.690 21.175 10.572 1.00 0.08 H new ATOM 0 HG2 GLU A 104 26.883 22.090 12.806 1.00 0.66 H new ATOM 0 HG3 GLU A 104 28.521 21.496 12.993 1.00 0.66 H new ATOM 1575 N LEU A 105 27.254 17.865 9.918 1.00 0.07 N ATOM 1576 CA LEU A 105 26.524 16.992 8.956 1.00 0.04 C ATOM 1577 C LEU A 105 26.036 15.745 9.684 1.00 0.05 C ATOM 1578 O LEU A 105 24.880 15.383 9.605 1.00 0.04 O ATOM 1579 CB LEU A 105 27.473 16.601 7.812 1.00 0.02 C ATOM 1580 CG LEU A 105 26.773 15.632 6.793 1.00 0.03 C ATOM 1581 CD1 LEU A 105 26.515 16.294 5.420 1.00 0.13 C ATOM 1582 CD2 LEU A 105 27.648 14.397 6.561 1.00 0.16 C ATOM 0 H LEU A 105 28.271 17.819 9.859 1.00 0.07 H new ATOM 0 HA LEU A 105 25.666 17.522 8.543 1.00 0.04 H new ATOM 0 HB2 LEU A 105 27.808 17.499 7.292 1.00 0.02 H new ATOM 0 HB3 LEU A 105 28.361 16.120 8.222 1.00 0.02 H new ATOM 0 HG LEU A 105 25.813 15.363 7.234 1.00 0.03 H new ATOM 0 HD11 LEU A 105 26.030 15.578 4.756 1.00 0.13 H new ATOM 0 HD12 LEU A 105 25.870 17.163 5.550 1.00 0.13 H new ATOM 0 HD13 LEU A 105 27.463 16.608 4.984 1.00 0.13 H new ATOM 0 HD21 LEU A 105 27.156 13.730 5.853 1.00 0.16 H new ATOM 0 HD22 LEU A 105 28.613 14.705 6.158 1.00 0.16 H new ATOM 0 HD23 LEU A 105 27.799 13.875 7.506 1.00 0.16 H new ATOM 1594 N ARG A 106 26.897 15.094 10.403 1.00 0.09 N ATOM 1595 CA ARG A 106 26.473 13.891 11.138 1.00 0.13 C ATOM 1596 C ARG A 106 25.411 14.334 12.147 1.00 0.12 C ATOM 1597 O ARG A 106 24.490 13.609 12.462 1.00 0.11 O ATOM 1598 CB ARG A 106 27.728 13.287 11.814 1.00 0.23 C ATOM 1599 CG ARG A 106 27.465 12.926 13.277 1.00 1.61 C ATOM 1600 CD ARG A 106 28.664 12.162 13.851 1.00 1.56 C ATOM 1601 NE ARG A 106 28.273 11.522 15.140 1.00 2.66 N ATOM 1602 CZ ARG A 106 29.033 10.600 15.669 1.00 2.57 C ATOM 1603 NH1 ARG A 106 30.135 10.240 15.071 1.00 2.04 N ATOM 1604 NH2 ARG A 106 28.688 10.037 16.795 1.00 3.52 N ATOM 0 H ARG A 106 27.879 15.348 10.511 1.00 0.09 H new ATOM 0 HA ARG A 106 26.039 13.123 10.498 1.00 0.13 H new ATOM 0 HB2 ARG A 106 28.041 12.396 11.270 1.00 0.23 H new ATOM 0 HB3 ARG A 106 28.550 14.000 11.757 1.00 0.23 H new ATOM 0 HG2 ARG A 106 27.288 13.831 13.858 1.00 1.61 H new ATOM 0 HG3 ARG A 106 26.564 12.317 13.354 1.00 1.61 H new ATOM 0 HD2 ARG A 106 28.999 11.404 13.143 1.00 1.56 H new ATOM 0 HD3 ARG A 106 29.501 12.842 14.009 1.00 1.56 H new ATOM 0 HE ARG A 106 27.412 11.804 15.609 1.00 2.66 H new ATOM 0 HH11 ARG A 106 30.404 10.678 14.190 1.00 2.04 H new ATOM 0 HH12 ARG A 106 30.728 9.520 15.484 1.00 2.04 H new ATOM 0 HH21 ARG A 106 27.825 10.317 17.262 1.00 3.52 H new ATOM 0 HH22 ARG A 106 29.281 9.317 17.208 1.00 3.52 H new ATOM 1618 N HIS A 107 25.536 15.536 12.638 1.00 0.12 N ATOM 1619 CA HIS A 107 24.545 16.051 13.611 1.00 0.15 C ATOM 1620 C HIS A 107 23.205 16.274 12.895 1.00 0.12 C ATOM 1621 O HIS A 107 22.160 15.912 13.398 1.00 0.16 O ATOM 1622 CB HIS A 107 25.061 17.372 14.196 1.00 0.18 C ATOM 1623 CG HIS A 107 24.373 17.643 15.504 1.00 0.23 C ATOM 1624 ND1 HIS A 107 24.430 16.758 16.570 1.00 0.49 N ATOM 1625 CD2 HIS A 107 23.608 18.692 15.927 1.00 0.28 C ATOM 1626 CE1 HIS A 107 23.714 17.292 17.576 1.00 0.45 C ATOM 1627 NE2 HIS A 107 23.190 18.473 17.237 1.00 0.26 N ATOM 0 H HIS A 107 26.288 16.184 12.403 1.00 0.12 H new ATOM 0 HA HIS A 107 24.400 15.334 14.419 1.00 0.15 H new ATOM 0 HB2 HIS A 107 26.140 17.320 14.344 1.00 0.18 H new ATOM 0 HB3 HIS A 107 24.874 18.189 13.499 1.00 0.18 H new ATOM 0 HD2 HIS A 107 23.364 19.561 15.334 1.00 0.28 H new ATOM 0 HE1 HIS A 107 23.579 16.823 18.540 1.00 0.45 H new ATOM 0 HE2 HIS A 107 22.609 19.082 17.813 1.00 0.26 H new ATOM 1635 N VAL A 108 23.224 16.849 11.719 1.00 0.08 N ATOM 1636 CA VAL A 108 21.946 17.066 10.979 1.00 0.09 C ATOM 1637 C VAL A 108 21.211 15.731 10.890 1.00 0.09 C ATOM 1638 O VAL A 108 19.999 15.665 10.944 1.00 0.10 O ATOM 1639 CB VAL A 108 22.239 17.522 9.538 1.00 0.09 C ATOM 1640 CG1 VAL A 108 20.925 17.543 8.726 1.00 0.10 C ATOM 1641 CG2 VAL A 108 22.878 18.924 9.542 1.00 0.09 C ATOM 0 H VAL A 108 24.065 17.176 11.242 1.00 0.08 H new ATOM 0 HA VAL A 108 21.356 17.821 11.499 1.00 0.09 H new ATOM 0 HB VAL A 108 22.937 16.823 9.078 1.00 0.09 H new ATOM 0 HG11 VAL A 108 21.133 17.866 7.706 1.00 0.10 H new ATOM 0 HG12 VAL A 108 20.492 16.543 8.709 1.00 0.10 H new ATOM 0 HG13 VAL A 108 20.222 18.235 9.189 1.00 0.10 H new ATOM 0 HG21 VAL A 108 23.080 19.235 8.517 1.00 0.09 H new ATOM 0 HG22 VAL A 108 22.195 19.634 10.008 1.00 0.09 H new ATOM 0 HG23 VAL A 108 23.812 18.897 10.104 1.00 0.09 H new ATOM 1651 N MET A 109 21.951 14.668 10.697 1.00 0.09 N ATOM 1652 CA MET A 109 21.314 13.336 10.537 1.00 0.10 C ATOM 1653 C MET A 109 20.827 12.788 11.893 1.00 0.09 C ATOM 1654 O MET A 109 19.869 12.041 11.949 1.00 0.10 O ATOM 1655 CB MET A 109 22.324 12.357 9.910 1.00 0.10 C ATOM 1656 CG MET A 109 22.899 12.941 8.607 1.00 0.10 C ATOM 1657 SD MET A 109 24.521 12.204 8.285 1.00 0.12 S ATOM 1658 CE MET A 109 23.952 10.808 7.285 1.00 0.08 C ATOM 0 H MET A 109 22.970 14.671 10.644 1.00 0.09 H new ATOM 0 HA MET A 109 20.448 13.442 9.883 1.00 0.10 H new ATOM 0 HB2 MET A 109 23.132 12.157 10.614 1.00 0.10 H new ATOM 0 HB3 MET A 109 21.837 11.404 9.705 1.00 0.10 H new ATOM 0 HG2 MET A 109 22.224 12.739 7.776 1.00 0.10 H new ATOM 0 HG3 MET A 109 22.989 14.024 8.689 1.00 0.10 H new ATOM 0 HE1 MET A 109 24.810 10.220 6.960 1.00 0.08 H new ATOM 0 HE2 MET A 109 23.287 10.182 7.880 1.00 0.08 H new ATOM 0 HE3 MET A 109 23.415 11.180 6.412 1.00 0.08 H new ATOM 1668 N THR A 110 21.477 13.125 12.985 1.00 0.08 N ATOM 1669 CA THR A 110 21.051 12.596 14.308 1.00 0.10 C ATOM 1670 C THR A 110 19.936 13.474 14.907 1.00 0.15 C ATOM 1671 O THR A 110 18.965 12.973 15.438 1.00 0.16 O ATOM 1672 CB THR A 110 22.297 12.580 15.225 1.00 0.15 C ATOM 1673 OG1 THR A 110 23.418 13.040 14.484 1.00 0.15 O ATOM 1674 CG2 THR A 110 22.584 11.162 15.723 1.00 0.18 C ATOM 0 H THR A 110 22.286 13.746 13.009 1.00 0.08 H new ATOM 0 HA THR A 110 20.646 11.589 14.207 1.00 0.10 H new ATOM 0 HB THR A 110 22.110 13.225 16.084 1.00 0.15 H new ATOM 0 HG1 THR A 110 23.473 12.551 13.637 1.00 0.15 H new ATOM 0 HG21 THR A 110 23.464 11.173 16.366 1.00 0.18 H new ATOM 0 HG22 THR A 110 21.727 10.794 16.287 1.00 0.18 H new ATOM 0 HG23 THR A 110 22.766 10.507 14.871 1.00 0.18 H new ATOM 1682 N ASN A 111 20.073 14.772 14.843 1.00 0.21 N ATOM 1683 CA ASN A 111 19.027 15.660 15.431 1.00 0.29 C ATOM 1684 C ASN A 111 17.697 15.446 14.715 1.00 0.30 C ATOM 1685 O ASN A 111 16.636 15.648 15.273 1.00 0.35 O ATOM 1686 CB ASN A 111 19.457 17.122 15.286 1.00 0.35 C ATOM 1687 CG ASN A 111 18.428 18.031 15.960 1.00 0.46 C ATOM 1688 OD1 ASN A 111 17.307 18.143 15.504 1.00 1.12 O ATOM 1689 ND2 ASN A 111 18.765 18.695 17.033 1.00 0.78 N ATOM 0 H ASN A 111 20.861 15.255 14.411 1.00 0.21 H new ATOM 0 HA ASN A 111 18.906 15.418 16.487 1.00 0.29 H new ATOM 0 HB2 ASN A 111 20.438 17.269 15.738 1.00 0.35 H new ATOM 0 HB3 ASN A 111 19.550 17.381 14.231 1.00 0.35 H new ATOM 0 HD21 ASN A 111 18.088 19.307 17.488 1.00 0.78 H new ATOM 0 HD22 ASN A 111 19.706 18.601 17.416 1.00 0.78 H new ATOM 1696 N LEU A 112 17.749 15.053 13.483 1.00 0.28 N ATOM 1697 CA LEU A 112 16.489 14.834 12.710 1.00 0.32 C ATOM 1698 C LEU A 112 15.634 13.767 13.386 1.00 0.36 C ATOM 1699 O LEU A 112 14.425 13.740 13.259 1.00 0.43 O ATOM 1700 CB LEU A 112 16.839 14.401 11.271 1.00 0.30 C ATOM 1701 CG LEU A 112 16.962 15.639 10.359 1.00 0.29 C ATOM 1702 CD1 LEU A 112 17.507 15.219 8.988 1.00 0.22 C ATOM 1703 CD2 LEU A 112 15.584 16.325 10.191 1.00 0.45 C ATOM 0 H LEU A 112 18.610 14.871 12.968 1.00 0.28 H new ATOM 0 HA LEU A 112 15.921 15.764 12.679 1.00 0.32 H new ATOM 0 HB2 LEU A 112 17.776 13.844 11.269 1.00 0.30 H new ATOM 0 HB3 LEU A 112 16.069 13.732 10.887 1.00 0.30 H new ATOM 0 HG LEU A 112 17.650 16.348 10.819 1.00 0.29 H new ATOM 0 HD11 LEU A 112 17.593 16.096 8.346 1.00 0.22 H new ATOM 0 HD12 LEU A 112 18.489 14.762 9.111 1.00 0.22 H new ATOM 0 HD13 LEU A 112 16.827 14.500 8.531 1.00 0.22 H new ATOM 0 HD21 LEU A 112 15.688 17.197 9.545 1.00 0.45 H new ATOM 0 HD22 LEU A 112 14.880 15.623 9.743 1.00 0.45 H new ATOM 0 HD23 LEU A 112 15.212 16.639 11.166 1.00 0.45 H new ATOM 1715 N GLY A 113 16.257 12.897 14.094 1.00 0.35 N ATOM 1716 CA GLY A 113 15.515 11.808 14.796 1.00 0.41 C ATOM 1717 C GLY A 113 15.364 10.610 13.856 1.00 0.25 C ATOM 1718 O GLY A 113 14.405 9.867 13.923 1.00 0.23 O ATOM 0 H GLY A 113 17.268 12.881 14.228 1.00 0.35 H new ATOM 0 HA2 GLY A 113 16.050 11.511 15.698 1.00 0.41 H new ATOM 0 HA3 GLY A 113 14.534 12.165 15.109 1.00 0.41 H new ATOM 1722 N GLU A 114 16.310 10.422 12.978 1.00 0.23 N ATOM 1723 CA GLU A 114 16.240 9.277 12.028 1.00 0.16 C ATOM 1724 C GLU A 114 16.702 7.998 12.755 1.00 0.17 C ATOM 1725 O GLU A 114 17.499 8.059 13.670 1.00 0.30 O ATOM 1726 CB GLU A 114 17.157 9.570 10.808 1.00 0.31 C ATOM 1727 CG GLU A 114 16.359 10.286 9.710 1.00 0.32 C ATOM 1728 CD GLU A 114 15.408 9.292 9.037 1.00 1.29 C ATOM 1729 OE1 GLU A 114 15.278 8.191 9.545 1.00 2.29 O ATOM 1730 OE2 GLU A 114 14.826 9.653 8.027 1.00 1.69 O ATOM 0 H GLU A 114 17.133 11.016 12.877 1.00 0.23 H new ATOM 0 HA GLU A 114 15.218 9.138 11.674 1.00 0.16 H new ATOM 0 HB2 GLU A 114 18.001 10.187 11.117 1.00 0.31 H new ATOM 0 HB3 GLU A 114 17.569 8.638 10.420 1.00 0.31 H new ATOM 0 HG2 GLU A 114 15.793 11.114 10.138 1.00 0.32 H new ATOM 0 HG3 GLU A 114 17.038 10.712 8.972 1.00 0.32 H new ATOM 1737 N LYS A 115 16.215 6.838 12.364 1.00 0.05 N ATOM 1738 CA LYS A 115 16.645 5.586 13.048 1.00 0.07 C ATOM 1739 C LYS A 115 18.010 5.184 12.503 1.00 0.16 C ATOM 1740 O LYS A 115 18.288 4.032 12.229 1.00 0.16 O ATOM 1741 CB LYS A 115 15.638 4.480 12.760 1.00 0.13 C ATOM 1742 CG LYS A 115 14.392 4.661 13.634 1.00 0.23 C ATOM 1743 CD LYS A 115 13.234 3.847 13.050 1.00 0.62 C ATOM 1744 CE LYS A 115 12.082 3.805 14.055 1.00 0.67 C ATOM 1745 NZ LYS A 115 12.501 3.041 15.263 1.00 1.51 N ATOM 0 H LYS A 115 15.544 6.712 11.606 1.00 0.05 H new ATOM 0 HA LYS A 115 16.703 5.746 14.125 1.00 0.07 H new ATOM 0 HB2 LYS A 115 15.358 4.497 11.707 1.00 0.13 H new ATOM 0 HB3 LYS A 115 16.089 3.507 12.954 1.00 0.13 H new ATOM 0 HG2 LYS A 115 14.600 4.337 14.654 1.00 0.23 H new ATOM 0 HG3 LYS A 115 14.120 5.715 13.684 1.00 0.23 H new ATOM 0 HD2 LYS A 115 12.898 4.293 12.114 1.00 0.62 H new ATOM 0 HD3 LYS A 115 13.567 2.835 12.820 1.00 0.62 H new ATOM 0 HE2 LYS A 115 11.793 4.818 14.335 1.00 0.67 H new ATOM 0 HE3 LYS A 115 11.208 3.338 13.602 1.00 0.67 H new ATOM 0 HZ1 LYS A 115 11.662 2.635 15.725 1.00 1.51 H new ATOM 0 HZ2 LYS A 115 13.147 2.275 14.983 1.00 1.51 H new ATOM 0 HZ3 LYS A 115 12.987 3.678 15.926 1.00 1.51 H new ATOM 1759 N LEU A 116 18.846 6.150 12.358 1.00 0.29 N ATOM 1760 CA LEU A 116 20.228 5.911 11.837 1.00 0.43 C ATOM 1761 C LEU A 116 21.125 5.424 12.978 1.00 0.31 C ATOM 1762 O LEU A 116 21.037 5.881 14.100 1.00 0.48 O ATOM 1763 CB LEU A 116 20.769 7.210 11.165 1.00 0.69 C ATOM 1764 CG LEU A 116 21.694 7.975 12.113 1.00 2.59 C ATOM 1765 CD1 LEU A 116 23.056 7.245 12.239 1.00 3.39 C ATOM 1766 CD2 LEU A 116 21.897 9.396 11.571 1.00 3.77 C ATOM 0 H LEU A 116 18.639 7.124 12.580 1.00 0.29 H new ATOM 0 HA LEU A 116 20.217 5.133 11.073 1.00 0.43 H new ATOM 0 HB2 LEU A 116 21.309 6.954 10.253 1.00 0.69 H new ATOM 0 HB3 LEU A 116 19.934 7.847 10.873 1.00 0.69 H new ATOM 0 HG LEU A 116 21.243 8.025 13.104 1.00 2.59 H new ATOM 0 HD11 LEU A 116 23.705 7.800 12.917 1.00 3.39 H new ATOM 0 HD12 LEU A 116 22.896 6.241 12.631 1.00 3.39 H new ATOM 0 HD13 LEU A 116 23.526 7.180 11.258 1.00 3.39 H new ATOM 0 HD21 LEU A 116 22.555 9.950 12.240 1.00 3.77 H new ATOM 0 HD22 LEU A 116 22.346 9.346 10.579 1.00 3.77 H new ATOM 0 HD23 LEU A 116 20.934 9.903 11.508 1.00 3.77 H new ATOM 1778 N THR A 117 22.020 4.517 12.671 1.00 0.28 N ATOM 1779 CA THR A 117 22.981 4.000 13.689 1.00 0.13 C ATOM 1780 C THR A 117 24.358 4.600 13.390 1.00 0.22 C ATOM 1781 O THR A 117 24.707 4.832 12.248 1.00 0.25 O ATOM 1782 CB THR A 117 23.063 2.477 13.599 1.00 0.09 C ATOM 1783 OG1 THR A 117 23.526 2.104 12.309 1.00 0.18 O ATOM 1784 CG2 THR A 117 21.678 1.872 13.840 1.00 0.30 C ATOM 0 H THR A 117 22.125 4.108 11.742 1.00 0.28 H new ATOM 0 HA THR A 117 22.651 4.277 14.690 1.00 0.13 H new ATOM 0 HB THR A 117 23.755 2.106 14.355 1.00 0.09 H new ATOM 0 HG1 THR A 117 23.580 1.127 12.251 1.00 0.18 H new ATOM 0 HG21 THR A 117 21.739 0.786 13.775 1.00 0.30 H new ATOM 0 HG22 THR A 117 21.324 2.157 14.831 1.00 0.30 H new ATOM 0 HG23 THR A 117 20.983 2.242 13.086 1.00 0.30 H new ATOM 1792 N ASP A 118 25.138 4.868 14.394 1.00 0.30 N ATOM 1793 CA ASP A 118 26.483 5.472 14.156 1.00 0.39 C ATOM 1794 C ASP A 118 27.291 4.605 13.184 1.00 0.35 C ATOM 1795 O ASP A 118 28.171 5.086 12.502 1.00 0.38 O ATOM 1796 CB ASP A 118 27.235 5.579 15.484 1.00 0.47 C ATOM 1797 CG ASP A 118 26.602 6.672 16.345 1.00 0.45 C ATOM 1798 OD1 ASP A 118 25.474 7.044 16.063 1.00 0.69 O ATOM 1799 OD2 ASP A 118 27.255 7.120 17.273 1.00 1.60 O ATOM 0 H ASP A 118 24.906 4.696 15.372 1.00 0.30 H new ATOM 0 HA ASP A 118 26.353 6.464 13.723 1.00 0.39 H new ATOM 0 HB2 ASP A 118 27.204 4.624 16.009 1.00 0.47 H new ATOM 0 HB3 ASP A 118 28.285 5.808 15.302 1.00 0.47 H new ATOM 1804 N GLU A 119 27.011 3.333 13.121 1.00 0.29 N ATOM 1805 CA GLU A 119 27.782 2.452 12.196 1.00 0.26 C ATOM 1806 C GLU A 119 27.368 2.723 10.748 1.00 0.24 C ATOM 1807 O GLU A 119 28.191 2.751 9.855 1.00 0.32 O ATOM 1808 CB GLU A 119 27.508 0.986 12.538 1.00 0.24 C ATOM 1809 CG GLU A 119 28.037 0.679 13.938 1.00 0.29 C ATOM 1810 CD GLU A 119 27.126 1.329 14.982 1.00 0.96 C ATOM 1811 OE1 GLU A 119 25.920 1.240 14.825 1.00 1.48 O ATOM 1812 OE2 GLU A 119 27.651 1.906 15.920 1.00 1.75 O ATOM 0 H GLU A 119 26.286 2.866 13.666 1.00 0.29 H new ATOM 0 HA GLU A 119 28.846 2.662 12.309 1.00 0.26 H new ATOM 0 HB2 GLU A 119 26.438 0.785 12.490 1.00 0.24 H new ATOM 0 HB3 GLU A 119 27.987 0.336 11.806 1.00 0.24 H new ATOM 0 HG2 GLU A 119 28.077 -0.399 14.095 1.00 0.29 H new ATOM 0 HG3 GLU A 119 29.055 1.054 14.044 1.00 0.29 H new ATOM 1819 N GLU A 120 26.101 2.910 10.502 1.00 0.22 N ATOM 1820 CA GLU A 120 25.651 3.166 9.104 1.00 0.23 C ATOM 1821 C GLU A 120 26.282 4.457 8.582 1.00 0.25 C ATOM 1822 O GLU A 120 26.734 4.523 7.456 1.00 0.32 O ATOM 1823 CB GLU A 120 24.124 3.289 9.068 1.00 0.23 C ATOM 1824 CG GLU A 120 23.493 1.902 9.209 1.00 0.24 C ATOM 1825 CD GLU A 120 22.001 2.046 9.518 1.00 0.35 C ATOM 1826 OE1 GLU A 120 21.646 2.998 10.195 1.00 0.62 O ATOM 1827 OE2 GLU A 120 21.241 1.203 9.072 1.00 0.68 O ATOM 0 H GLU A 120 25.361 2.897 11.204 1.00 0.22 H new ATOM 0 HA GLU A 120 25.962 2.335 8.472 1.00 0.23 H new ATOM 0 HB2 GLU A 120 23.782 3.938 9.874 1.00 0.23 H new ATOM 0 HB3 GLU A 120 23.808 3.750 8.132 1.00 0.23 H new ATOM 0 HG2 GLU A 120 23.631 1.333 8.289 1.00 0.24 H new ATOM 0 HG3 GLU A 120 23.988 1.346 10.005 1.00 0.24 H new ATOM 1834 N VAL A 121 26.321 5.483 9.385 1.00 0.19 N ATOM 1835 CA VAL A 121 26.924 6.764 8.920 1.00 0.19 C ATOM 1836 C VAL A 121 28.414 6.537 8.650 1.00 0.20 C ATOM 1837 O VAL A 121 28.968 7.049 7.696 1.00 0.23 O ATOM 1838 CB VAL A 121 26.706 7.850 9.994 1.00 0.18 C ATOM 1839 CG1 VAL A 121 27.777 8.946 9.891 1.00 0.44 C ATOM 1840 CG2 VAL A 121 25.326 8.492 9.790 1.00 0.44 C ATOM 0 H VAL A 121 25.963 5.491 10.340 1.00 0.19 H new ATOM 0 HA VAL A 121 26.450 7.101 7.998 1.00 0.19 H new ATOM 0 HB VAL A 121 26.772 7.381 10.976 1.00 0.18 H new ATOM 0 HG11 VAL A 121 27.601 9.700 10.659 1.00 0.44 H new ATOM 0 HG12 VAL A 121 28.764 8.505 10.034 1.00 0.44 H new ATOM 0 HG13 VAL A 121 27.727 9.412 8.907 1.00 0.44 H new ATOM 0 HG21 VAL A 121 25.167 9.260 10.547 1.00 0.44 H new ATOM 0 HG22 VAL A 121 25.277 8.943 8.799 1.00 0.44 H new ATOM 0 HG23 VAL A 121 24.553 7.729 9.880 1.00 0.44 H new ATOM 1850 N ASP A 122 29.059 5.771 9.474 1.00 0.18 N ATOM 1851 CA ASP A 122 30.508 5.507 9.258 1.00 0.18 C ATOM 1852 C ASP A 122 30.706 4.912 7.861 1.00 0.19 C ATOM 1853 O ASP A 122 31.713 5.134 7.220 1.00 0.22 O ATOM 1854 CB ASP A 122 31.017 4.523 10.317 1.00 0.21 C ATOM 1855 CG ASP A 122 31.225 5.260 11.644 1.00 0.33 C ATOM 1856 OD1 ASP A 122 31.903 6.274 11.634 1.00 1.29 O ATOM 1857 OD2 ASP A 122 30.703 4.797 12.643 1.00 0.80 O ATOM 0 H ASP A 122 28.649 5.314 10.289 1.00 0.18 H new ATOM 0 HA ASP A 122 31.067 6.439 9.341 1.00 0.18 H new ATOM 0 HB2 ASP A 122 30.301 3.712 10.448 1.00 0.21 H new ATOM 0 HB3 ASP A 122 31.954 4.072 9.989 1.00 0.21 H new ATOM 1862 N GLU A 123 29.745 4.170 7.378 1.00 0.18 N ATOM 1863 CA GLU A 123 29.876 3.581 6.016 1.00 0.19 C ATOM 1864 C GLU A 123 29.617 4.688 4.989 1.00 0.17 C ATOM 1865 O GLU A 123 30.292 4.792 3.984 1.00 0.18 O ATOM 1866 CB GLU A 123 28.857 2.439 5.838 1.00 0.20 C ATOM 1867 CG GLU A 123 29.438 1.125 6.377 1.00 1.72 C ATOM 1868 CD GLU A 123 30.453 0.564 5.378 1.00 2.29 C ATOM 1869 OE1 GLU A 123 30.725 1.239 4.399 1.00 2.51 O ATOM 1870 OE2 GLU A 123 30.940 -0.529 5.612 1.00 3.19 O ATOM 0 H GLU A 123 28.878 3.948 7.867 1.00 0.18 H new ATOM 0 HA GLU A 123 30.876 3.171 5.876 1.00 0.19 H new ATOM 0 HB2 GLU A 123 27.933 2.680 6.364 1.00 0.20 H new ATOM 0 HB3 GLU A 123 28.604 2.328 4.784 1.00 0.20 H new ATOM 0 HG2 GLU A 123 29.918 1.296 7.341 1.00 1.72 H new ATOM 0 HG3 GLU A 123 28.638 0.403 6.543 1.00 1.72 H new ATOM 1877 N MET A 124 28.648 5.519 5.247 1.00 0.14 N ATOM 1878 CA MET A 124 28.334 6.635 4.314 1.00 0.12 C ATOM 1879 C MET A 124 29.491 7.646 4.315 1.00 0.09 C ATOM 1880 O MET A 124 29.702 8.362 3.356 1.00 0.09 O ATOM 1881 CB MET A 124 27.020 7.281 4.751 1.00 0.11 C ATOM 1882 CG MET A 124 25.826 6.316 4.507 1.00 0.17 C ATOM 1883 SD MET A 124 24.954 5.984 6.065 1.00 1.63 S ATOM 1884 CE MET A 124 24.065 7.556 6.195 1.00 1.81 C ATOM 0 H MET A 124 28.053 5.472 6.074 1.00 0.14 H new ATOM 0 HA MET A 124 28.218 6.266 3.295 1.00 0.12 H new ATOM 0 HB2 MET A 124 27.072 7.544 5.808 1.00 0.11 H new ATOM 0 HB3 MET A 124 26.864 8.208 4.199 1.00 0.11 H new ATOM 0 HG2 MET A 124 25.138 6.754 3.784 1.00 0.17 H new ATOM 0 HG3 MET A 124 26.187 5.381 4.078 1.00 0.17 H new ATOM 0 HE1 MET A 124 24.003 7.853 7.242 1.00 1.81 H new ATOM 0 HE2 MET A 124 24.597 8.322 5.631 1.00 1.81 H new ATOM 0 HE3 MET A 124 23.060 7.440 5.790 1.00 1.81 H new ATOM 1894 N ILE A 125 30.255 7.694 5.376 1.00 0.09 N ATOM 1895 CA ILE A 125 31.419 8.637 5.440 1.00 0.07 C ATOM 1896 C ILE A 125 32.602 8.059 4.642 1.00 0.08 C ATOM 1897 O ILE A 125 33.425 8.790 4.126 1.00 0.08 O ATOM 1898 CB ILE A 125 31.815 8.827 6.913 1.00 0.07 C ATOM 1899 CG1 ILE A 125 30.762 9.712 7.596 1.00 0.06 C ATOM 1900 CG2 ILE A 125 33.198 9.489 7.015 1.00 0.09 C ATOM 1901 CD1 ILE A 125 31.031 9.799 9.102 1.00 0.07 C ATOM 0 H ILE A 125 30.124 7.118 6.207 1.00 0.09 H new ATOM 0 HA ILE A 125 31.146 9.599 5.006 1.00 0.07 H new ATOM 0 HB ILE A 125 31.863 7.855 7.405 1.00 0.07 H new ATOM 0 HG12 ILE A 125 30.779 10.710 7.159 1.00 0.06 H new ATOM 0 HG13 ILE A 125 29.766 9.304 7.421 1.00 0.06 H new ATOM 0 HG21 ILE A 125 33.464 9.617 8.064 1.00 0.09 H new ATOM 0 HG22 ILE A 125 33.940 8.858 6.527 1.00 0.09 H new ATOM 0 HG23 ILE A 125 33.172 10.463 6.526 1.00 0.09 H new ATOM 0 HD11 ILE A 125 30.276 10.430 9.571 1.00 0.07 H new ATOM 0 HD12 ILE A 125 30.991 8.800 9.537 1.00 0.07 H new ATOM 0 HD13 ILE A 125 32.018 10.229 9.271 1.00 0.07 H new ATOM 1913 N ARG A 126 32.704 6.759 4.543 1.00 0.13 N ATOM 1914 CA ARG A 126 33.842 6.151 3.789 1.00 0.15 C ATOM 1915 C ARG A 126 33.791 6.582 2.315 1.00 0.10 C ATOM 1916 O ARG A 126 34.775 7.036 1.767 1.00 0.09 O ATOM 1917 CB ARG A 126 33.764 4.616 3.888 1.00 0.22 C ATOM 1918 CG ARG A 126 34.435 4.137 5.184 1.00 0.47 C ATOM 1919 CD ARG A 126 34.111 2.660 5.421 1.00 0.81 C ATOM 1920 NE ARG A 126 34.162 1.917 4.130 1.00 1.67 N ATOM 1921 CZ ARG A 126 34.230 0.614 4.132 1.00 2.87 C ATOM 1922 NH1 ARG A 126 34.255 -0.036 5.262 1.00 3.16 N ATOM 1923 NH2 ARG A 126 34.273 -0.039 3.003 1.00 4.42 N ATOM 0 H ARG A 126 32.049 6.092 4.951 1.00 0.13 H new ATOM 0 HA ARG A 126 34.781 6.495 4.223 1.00 0.15 H new ATOM 0 HB2 ARG A 126 32.723 4.295 3.868 1.00 0.22 H new ATOM 0 HB3 ARG A 126 34.254 4.163 3.026 1.00 0.22 H new ATOM 0 HG2 ARG A 126 35.514 4.276 5.118 1.00 0.47 H new ATOM 0 HG3 ARG A 126 34.087 4.735 6.027 1.00 0.47 H new ATOM 0 HD2 ARG A 126 34.823 2.231 6.126 1.00 0.81 H new ATOM 0 HD3 ARG A 126 33.122 2.563 5.868 1.00 0.81 H new ATOM 0 HE ARG A 126 34.144 2.426 3.246 1.00 1.67 H new ATOM 0 HH11 ARG A 126 34.221 0.474 6.145 1.00 3.16 H new ATOM 0 HH12 ARG A 126 34.308 -1.055 5.263 1.00 3.16 H new ATOM 0 HH21 ARG A 126 34.253 0.469 2.119 1.00 4.42 H new ATOM 0 HH22 ARG A 126 34.326 -1.058 3.005 1.00 4.42 H new ATOM 1937 N GLU A 127 32.671 6.424 1.657 1.00 0.11 N ATOM 1938 CA GLU A 127 32.606 6.813 0.212 1.00 0.09 C ATOM 1939 C GLU A 127 32.435 8.336 0.069 1.00 0.09 C ATOM 1940 O GLU A 127 32.728 8.900 -0.966 1.00 0.12 O ATOM 1941 CB GLU A 127 31.437 6.087 -0.473 1.00 0.16 C ATOM 1942 CG GLU A 127 31.820 4.629 -0.728 1.00 0.26 C ATOM 1943 CD GLU A 127 30.589 3.853 -1.200 1.00 0.81 C ATOM 1944 OE1 GLU A 127 30.300 3.900 -2.383 1.00 0.98 O ATOM 1945 OE2 GLU A 127 29.954 3.225 -0.368 1.00 1.95 O ATOM 0 H GLU A 127 31.808 6.048 2.049 1.00 0.11 H new ATOM 0 HA GLU A 127 33.540 6.523 -0.269 1.00 0.09 H new ATOM 0 HB2 GLU A 127 30.547 6.136 0.155 1.00 0.16 H new ATOM 0 HB3 GLU A 127 31.191 6.579 -1.414 1.00 0.16 H new ATOM 0 HG2 GLU A 127 32.607 4.575 -1.480 1.00 0.26 H new ATOM 0 HG3 GLU A 127 32.218 4.182 0.183 1.00 0.26 H new ATOM 1952 N ALA A 128 32.015 9.017 1.105 1.00 0.08 N ATOM 1953 CA ALA A 128 31.889 10.489 1.033 1.00 0.11 C ATOM 1954 C ALA A 128 33.212 11.052 1.489 1.00 0.11 C ATOM 1955 O ALA A 128 33.346 11.443 2.622 1.00 0.09 O ATOM 1956 CB ALA A 128 30.805 10.997 1.974 1.00 0.11 C ATOM 0 H ALA A 128 31.754 8.605 2.001 1.00 0.08 H new ATOM 0 HA ALA A 128 31.627 10.791 0.019 1.00 0.11 H new ATOM 0 HB1 ALA A 128 30.737 12.082 1.898 1.00 0.11 H new ATOM 0 HB2 ALA A 128 29.848 10.553 1.700 1.00 0.11 H new ATOM 0 HB3 ALA A 128 31.053 10.720 2.998 1.00 0.11 H new ATOM 1962 N ASP A 129 34.177 11.050 0.626 1.00 0.15 N ATOM 1963 CA ASP A 129 35.547 11.551 0.974 1.00 0.20 C ATOM 1964 C ASP A 129 35.422 12.789 1.864 1.00 0.20 C ATOM 1965 O ASP A 129 35.455 13.919 1.419 1.00 0.24 O ATOM 1966 CB ASP A 129 36.286 11.904 -0.321 1.00 0.28 C ATOM 1967 CG ASP A 129 35.898 10.909 -1.418 1.00 1.08 C ATOM 1968 OD1 ASP A 129 35.489 9.812 -1.079 1.00 1.93 O ATOM 1969 OD2 ASP A 129 36.015 11.264 -2.580 1.00 1.71 O ATOM 0 H ASP A 129 34.082 10.716 -0.333 1.00 0.15 H new ATOM 0 HA ASP A 129 36.104 10.784 1.512 1.00 0.20 H new ATOM 0 HB2 ASP A 129 36.035 12.919 -0.630 1.00 0.28 H new ATOM 0 HB3 ASP A 129 37.363 11.878 -0.156 1.00 0.28 H new ATOM 1974 N ILE A 130 35.205 12.541 3.121 1.00 0.18 N ATOM 1975 CA ILE A 130 34.985 13.627 4.111 1.00 0.19 C ATOM 1976 C ILE A 130 36.308 14.238 4.571 1.00 0.30 C ATOM 1977 O ILE A 130 36.357 15.134 5.391 1.00 0.45 O ATOM 1978 CB ILE A 130 34.213 12.984 5.282 1.00 0.09 C ATOM 1979 CG1 ILE A 130 32.676 12.864 4.937 1.00 0.10 C ATOM 1980 CG2 ILE A 130 34.472 13.745 6.585 1.00 0.06 C ATOM 1981 CD1 ILE A 130 31.781 13.399 6.074 1.00 0.13 C ATOM 0 H ILE A 130 35.170 11.601 3.516 1.00 0.18 H new ATOM 0 HA ILE A 130 34.419 14.451 3.677 1.00 0.19 H new ATOM 0 HB ILE A 130 34.580 11.969 5.435 1.00 0.09 H new ATOM 0 HG12 ILE A 130 32.467 13.417 4.021 1.00 0.10 H new ATOM 0 HG13 ILE A 130 32.429 11.820 4.743 1.00 0.10 H new ATOM 0 HG21 ILE A 130 33.918 13.275 7.397 1.00 0.06 H new ATOM 0 HG22 ILE A 130 35.538 13.724 6.813 1.00 0.06 H new ATOM 0 HG23 ILE A 130 34.145 14.779 6.474 1.00 0.06 H new ATOM 0 HD11 ILE A 130 30.733 13.296 5.792 1.00 0.13 H new ATOM 0 HD12 ILE A 130 31.969 12.829 6.984 1.00 0.13 H new ATOM 0 HD13 ILE A 130 32.007 14.450 6.251 1.00 0.13 H new ATOM 2024 N GLY A 134 37.851 19.075 4.543 1.00 0.31 N ATOM 2025 CA GLY A 134 37.476 19.356 5.962 1.00 0.06 C ATOM 2026 C GLY A 134 35.974 19.623 6.043 1.00 0.07 C ATOM 2027 O GLY A 134 35.338 19.372 7.049 1.00 0.14 O ATOM 0 HA2 GLY A 134 37.741 18.509 6.595 1.00 0.06 H new ATOM 0 HA3 GLY A 134 38.031 20.218 6.333 1.00 0.06 H new ATOM 2031 N GLN A 135 35.403 20.125 4.979 1.00 0.08 N ATOM 2032 CA GLN A 135 33.936 20.417 4.945 1.00 0.14 C ATOM 2033 C GLN A 135 33.326 19.666 3.758 1.00 0.15 C ATOM 2034 O GLN A 135 33.997 19.407 2.777 1.00 0.19 O ATOM 2035 CB GLN A 135 33.727 21.925 4.773 1.00 0.20 C ATOM 2036 CG GLN A 135 34.678 22.686 5.709 1.00 0.36 C ATOM 2037 CD GLN A 135 34.171 24.115 5.920 1.00 0.49 C ATOM 2038 OE1 GLN A 135 33.378 24.610 5.146 1.00 0.61 O ATOM 2039 NE2 GLN A 135 34.601 24.800 6.944 1.00 1.71 N ATOM 0 H GLN A 135 35.899 20.349 4.116 1.00 0.08 H new ATOM 0 HA GLN A 135 33.459 20.097 5.871 1.00 0.14 H new ATOM 0 HB2 GLN A 135 33.912 22.212 3.738 1.00 0.20 H new ATOM 0 HB3 GLN A 135 32.693 22.187 4.997 1.00 0.20 H new ATOM 0 HG2 GLN A 135 34.748 22.171 6.667 1.00 0.36 H new ATOM 0 HG3 GLN A 135 35.681 22.706 5.284 1.00 0.36 H new ATOM 0 HE21 GLN A 135 35.267 24.382 7.593 1.00 1.71 H new ATOM 0 HE22 GLN A 135 34.271 25.753 7.095 1.00 1.71 H new ATOM 2048 N VAL A 136 32.074 19.287 3.842 1.00 0.20 N ATOM 2049 CA VAL A 136 31.444 18.524 2.726 1.00 0.21 C ATOM 2050 C VAL A 136 30.021 19.039 2.502 1.00 0.30 C ATOM 2051 O VAL A 136 29.348 19.456 3.425 1.00 0.35 O ATOM 2052 CB VAL A 136 31.371 17.041 3.139 1.00 0.14 C ATOM 2053 CG1 VAL A 136 31.352 16.115 1.912 1.00 0.12 C ATOM 2054 CG2 VAL A 136 32.573 16.682 4.016 1.00 0.09 C ATOM 0 H VAL A 136 31.463 19.474 4.637 1.00 0.20 H new ATOM 0 HA VAL A 136 32.027 18.644 1.813 1.00 0.21 H new ATOM 0 HB VAL A 136 30.445 16.899 3.696 1.00 0.14 H new ATOM 0 HG11 VAL A 136 31.300 15.077 2.240 1.00 0.12 H new ATOM 0 HG12 VAL A 136 30.482 16.345 1.296 1.00 0.12 H new ATOM 0 HG13 VAL A 136 32.260 16.266 1.328 1.00 0.12 H new ATOM 0 HG21 VAL A 136 32.513 15.632 4.303 1.00 0.09 H new ATOM 0 HG22 VAL A 136 33.494 16.854 3.459 1.00 0.09 H new ATOM 0 HG23 VAL A 136 32.569 17.304 4.911 1.00 0.09 H new ATOM 2064 N ASN A 137 29.539 18.971 1.296 1.00 0.35 N ATOM 2065 CA ASN A 137 28.141 19.407 1.037 1.00 0.46 C ATOM 2066 C ASN A 137 27.233 18.259 1.471 1.00 0.46 C ATOM 2067 O ASN A 137 27.699 17.182 1.791 1.00 0.77 O ATOM 2068 CB ASN A 137 27.952 19.742 -0.455 1.00 0.55 C ATOM 2069 CG ASN A 137 26.485 19.566 -0.874 1.00 1.43 C ATOM 2070 OD1 ASN A 137 26.130 18.579 -1.487 1.00 1.43 O ATOM 2071 ND2 ASN A 137 25.616 20.490 -0.567 1.00 2.45 N ATOM 0 H ASN A 137 30.050 18.634 0.480 1.00 0.35 H new ATOM 0 HA ASN A 137 27.898 20.312 1.594 1.00 0.46 H new ATOM 0 HB2 ASN A 137 28.268 20.768 -0.644 1.00 0.55 H new ATOM 0 HB3 ASN A 137 28.587 19.096 -1.060 1.00 0.55 H new ATOM 0 HD21 ASN A 137 24.640 20.383 -0.842 1.00 2.45 H new ATOM 0 HD22 ASN A 137 25.913 21.319 -0.052 1.00 2.45 H new ATOM 2078 N TYR A 138 25.954 18.487 1.522 1.00 0.42 N ATOM 2079 CA TYR A 138 25.009 17.415 1.984 1.00 0.38 C ATOM 2080 C TYR A 138 24.267 16.747 0.804 1.00 0.37 C ATOM 2081 O TYR A 138 23.901 15.597 0.904 1.00 0.31 O ATOM 2082 CB TYR A 138 23.996 18.041 2.969 1.00 0.43 C ATOM 2083 CG TYR A 138 23.787 19.500 2.630 1.00 0.33 C ATOM 2084 CD1 TYR A 138 24.738 20.456 3.018 1.00 0.99 C ATOM 2085 CD2 TYR A 138 22.653 19.895 1.915 1.00 1.03 C ATOM 2086 CE1 TYR A 138 24.549 21.802 2.689 1.00 1.16 C ATOM 2087 CE2 TYR A 138 22.460 21.239 1.590 1.00 0.86 C ATOM 2088 CZ TYR A 138 23.407 22.194 1.974 1.00 0.40 C ATOM 2089 OH TYR A 138 23.213 23.521 1.650 1.00 0.53 O ATOM 0 H TYR A 138 25.512 19.370 1.265 1.00 0.42 H new ATOM 0 HA TYR A 138 25.586 16.633 2.478 1.00 0.38 H new ATOM 0 HB2 TYR A 138 23.047 17.507 2.918 1.00 0.43 H new ATOM 0 HB3 TYR A 138 24.362 17.944 3.991 1.00 0.43 H new ATOM 0 HD1 TYR A 138 25.615 20.153 3.570 1.00 0.99 H new ATOM 0 HD2 TYR A 138 21.924 19.158 1.613 1.00 1.03 H new ATOM 0 HE1 TYR A 138 25.281 22.539 2.985 1.00 1.16 H new ATOM 0 HE2 TYR A 138 21.580 21.541 1.042 1.00 0.86 H new ATOM 0 HH TYR A 138 22.373 23.617 1.154 1.00 0.53 H new ATOM 2099 N GLU A 139 24.022 17.439 -0.291 1.00 0.47 N ATOM 2100 CA GLU A 139 23.282 16.816 -1.433 1.00 0.48 C ATOM 2101 C GLU A 139 23.723 15.360 -1.642 1.00 0.39 C ATOM 2102 O GLU A 139 22.916 14.497 -1.923 1.00 0.35 O ATOM 2103 CB GLU A 139 23.543 17.637 -2.715 1.00 0.52 C ATOM 2104 CG GLU A 139 22.325 17.571 -3.636 1.00 1.36 C ATOM 2105 CD GLU A 139 22.673 18.184 -4.993 1.00 1.39 C ATOM 2106 OE1 GLU A 139 23.545 19.035 -5.031 1.00 0.77 O ATOM 2107 OE2 GLU A 139 22.059 17.793 -5.972 1.00 2.90 O ATOM 0 H GLU A 139 24.305 18.408 -0.438 1.00 0.47 H new ATOM 0 HA GLU A 139 22.216 16.816 -1.205 1.00 0.48 H new ATOM 0 HB2 GLU A 139 23.757 18.674 -2.455 1.00 0.52 H new ATOM 0 HB3 GLU A 139 24.421 17.250 -3.232 1.00 0.52 H new ATOM 0 HG2 GLU A 139 22.009 16.536 -3.764 1.00 1.36 H new ATOM 0 HG3 GLU A 139 21.488 18.107 -3.188 1.00 1.36 H new ATOM 2114 N GLU A 140 24.985 15.077 -1.499 1.00 0.40 N ATOM 2115 CA GLU A 140 25.448 13.672 -1.680 1.00 0.34 C ATOM 2116 C GLU A 140 24.989 12.835 -0.485 1.00 0.33 C ATOM 2117 O GLU A 140 24.519 11.721 -0.630 1.00 0.31 O ATOM 2118 CB GLU A 140 26.974 13.646 -1.766 1.00 0.37 C ATOM 2119 CG GLU A 140 27.436 14.570 -2.894 1.00 1.00 C ATOM 2120 CD GLU A 140 27.022 13.981 -4.242 1.00 1.49 C ATOM 2121 OE1 GLU A 140 27.299 12.814 -4.468 1.00 1.46 O ATOM 2122 OE2 GLU A 140 26.433 14.705 -5.029 1.00 2.77 O ATOM 0 H GLU A 140 25.714 15.752 -1.266 1.00 0.40 H new ATOM 0 HA GLU A 140 25.028 13.262 -2.598 1.00 0.34 H new ATOM 0 HB2 GLU A 140 27.408 13.966 -0.819 1.00 0.37 H new ATOM 0 HB3 GLU A 140 27.322 12.629 -1.949 1.00 0.37 H new ATOM 0 HG2 GLU A 140 26.998 15.560 -2.769 1.00 1.00 H new ATOM 0 HG3 GLU A 140 28.518 14.693 -2.857 1.00 1.00 H new ATOM 2129 N PHE A 141 25.130 13.362 0.699 1.00 0.36 N ATOM 2130 CA PHE A 141 24.712 12.606 1.918 1.00 0.36 C ATOM 2131 C PHE A 141 23.177 12.545 1.993 1.00 0.36 C ATOM 2132 O PHE A 141 22.618 11.675 2.631 1.00 0.38 O ATOM 2133 CB PHE A 141 25.291 13.303 3.180 1.00 0.37 C ATOM 2134 CG PHE A 141 26.381 12.457 3.806 1.00 0.28 C ATOM 2135 CD1 PHE A 141 26.032 11.347 4.582 1.00 0.35 C ATOM 2136 CD2 PHE A 141 27.734 12.781 3.615 1.00 0.13 C ATOM 2137 CE1 PHE A 141 27.031 10.565 5.165 1.00 0.27 C ATOM 2138 CE2 PHE A 141 28.731 11.984 4.209 1.00 0.04 C ATOM 2139 CZ PHE A 141 28.370 10.885 4.978 1.00 0.12 C ATOM 0 H PHE A 141 25.518 14.288 0.878 1.00 0.36 H new ATOM 0 HA PHE A 141 25.097 11.587 1.868 1.00 0.36 H new ATOM 0 HB2 PHE A 141 25.692 14.280 2.910 1.00 0.37 H new ATOM 0 HB3 PHE A 141 24.495 13.474 3.905 1.00 0.37 H new ATOM 0 HD1 PHE A 141 24.992 11.095 4.730 1.00 0.35 H new ATOM 0 HD2 PHE A 141 28.008 13.637 3.016 1.00 0.13 H new ATOM 0 HE1 PHE A 141 26.762 9.708 5.764 1.00 0.27 H new ATOM 0 HE2 PHE A 141 29.774 12.226 4.067 1.00 0.04 H new ATOM 0 HZ PHE A 141 29.136 10.275 5.434 1.00 0.12 H new ATOM 2149 N VAL A 142 22.486 13.452 1.352 1.00 0.35 N ATOM 2150 CA VAL A 142 20.999 13.415 1.407 1.00 0.35 C ATOM 2151 C VAL A 142 20.503 12.208 0.610 1.00 0.34 C ATOM 2152 O VAL A 142 19.695 11.428 1.074 1.00 0.35 O ATOM 2153 CB VAL A 142 20.417 14.689 0.781 1.00 0.36 C ATOM 2154 CG1 VAL A 142 18.884 14.594 0.780 1.00 0.40 C ATOM 2155 CG2 VAL A 142 20.876 15.933 1.580 1.00 0.31 C ATOM 0 H VAL A 142 22.885 14.210 0.798 1.00 0.35 H new ATOM 0 HA VAL A 142 20.681 13.344 2.447 1.00 0.35 H new ATOM 0 HB VAL A 142 20.775 14.787 -0.244 1.00 0.36 H new ATOM 0 HG11 VAL A 142 18.464 15.497 0.336 1.00 0.40 H new ATOM 0 HG12 VAL A 142 18.574 13.726 0.199 1.00 0.40 H new ATOM 0 HG13 VAL A 142 18.525 14.492 1.804 1.00 0.40 H new ATOM 0 HG21 VAL A 142 20.457 16.831 1.127 1.00 0.31 H new ATOM 0 HG22 VAL A 142 20.530 15.851 2.611 1.00 0.31 H new ATOM 0 HG23 VAL A 142 21.964 15.993 1.566 1.00 0.31 H new ATOM 2165 N GLN A 143 20.987 12.057 -0.594 1.00 0.31 N ATOM 2166 CA GLN A 143 20.557 10.913 -1.446 1.00 0.27 C ATOM 2167 C GLN A 143 20.948 9.592 -0.779 1.00 0.30 C ATOM 2168 O GLN A 143 20.323 8.572 -0.989 1.00 0.31 O ATOM 2169 CB GLN A 143 21.246 11.013 -2.809 1.00 0.25 C ATOM 2170 CG GLN A 143 20.705 12.226 -3.568 1.00 0.22 C ATOM 2171 CD GLN A 143 21.359 12.296 -4.949 1.00 0.40 C ATOM 2172 OE1 GLN A 143 20.781 11.875 -5.930 1.00 0.82 O ATOM 2173 NE2 GLN A 143 22.552 12.813 -5.065 1.00 1.57 N ATOM 0 H GLN A 143 21.667 12.683 -1.026 1.00 0.31 H new ATOM 0 HA GLN A 143 19.475 10.945 -1.573 1.00 0.27 H new ATOM 0 HB2 GLN A 143 22.324 11.105 -2.677 1.00 0.25 H new ATOM 0 HB3 GLN A 143 21.071 10.104 -3.384 1.00 0.25 H new ATOM 0 HG2 GLN A 143 19.622 12.152 -3.670 1.00 0.22 H new ATOM 0 HG3 GLN A 143 20.911 13.139 -3.010 1.00 0.22 H new ATOM 0 HE21 GLN A 143 23.037 13.167 -4.240 1.00 1.57 H new ATOM 0 HE22 GLN A 143 22.999 12.863 -5.980 1.00 1.57 H new ATOM 2182 N MET A 144 21.984 9.600 0.015 1.00 0.32 N ATOM 2183 CA MET A 144 22.418 8.338 0.683 1.00 0.34 C ATOM 2184 C MET A 144 21.443 7.980 1.812 1.00 0.34 C ATOM 2185 O MET A 144 21.106 6.829 2.006 1.00 0.38 O ATOM 2186 CB MET A 144 23.834 8.520 1.252 1.00 0.33 C ATOM 2187 CG MET A 144 24.878 8.299 0.149 1.00 0.35 C ATOM 2188 SD MET A 144 26.442 9.066 0.638 1.00 0.27 S ATOM 2189 CE MET A 144 27.133 9.243 -1.025 1.00 0.79 C ATOM 0 H MET A 144 22.548 10.422 0.230 1.00 0.32 H new ATOM 0 HA MET A 144 22.424 7.528 -0.047 1.00 0.34 H new ATOM 0 HB2 MET A 144 23.941 9.521 1.669 1.00 0.33 H new ATOM 0 HB3 MET A 144 24.000 7.816 2.067 1.00 0.33 H new ATOM 0 HG2 MET A 144 25.022 7.232 -0.022 1.00 0.35 H new ATOM 0 HG3 MET A 144 24.528 8.728 -0.790 1.00 0.35 H new ATOM 0 HE1 MET A 144 28.118 9.705 -0.962 1.00 0.79 H new ATOM 0 HE2 MET A 144 27.222 8.261 -1.489 1.00 0.79 H new ATOM 0 HE3 MET A 144 26.476 9.870 -1.627 1.00 0.79 H new ATOM 2199 N MET A 145 20.995 8.947 2.562 1.00 0.31 N ATOM 2200 CA MET A 145 20.053 8.640 3.675 1.00 0.31 C ATOM 2201 C MET A 145 18.704 8.195 3.103 1.00 0.35 C ATOM 2202 O MET A 145 17.946 7.499 3.749 1.00 0.36 O ATOM 2203 CB MET A 145 19.858 9.889 4.553 1.00 0.29 C ATOM 2204 CG MET A 145 21.171 10.242 5.301 1.00 0.26 C ATOM 2205 SD MET A 145 20.821 10.557 7.053 1.00 0.24 S ATOM 2206 CE MET A 145 19.839 12.060 6.837 1.00 0.19 C ATOM 0 H MET A 145 21.238 9.932 2.454 1.00 0.31 H new ATOM 0 HA MET A 145 20.468 7.836 4.283 1.00 0.31 H new ATOM 0 HB2 MET A 145 19.549 10.731 3.934 1.00 0.29 H new ATOM 0 HB3 MET A 145 19.059 9.713 5.273 1.00 0.29 H new ATOM 0 HG2 MET A 145 21.885 9.424 5.206 1.00 0.26 H new ATOM 0 HG3 MET A 145 21.631 11.121 4.850 1.00 0.26 H new ATOM 0 HE1 MET A 145 19.974 12.710 7.701 1.00 0.19 H new ATOM 0 HE2 MET A 145 20.164 12.581 5.936 1.00 0.19 H new ATOM 0 HE3 MET A 145 18.786 11.796 6.743 1.00 0.19 H new ATOM 2216 N THR A 146 18.393 8.591 1.896 1.00 0.40 N ATOM 2217 CA THR A 146 17.106 8.196 1.290 1.00 0.46 C ATOM 2218 C THR A 146 17.192 6.739 0.831 1.00 0.56 C ATOM 2219 O THR A 146 16.457 5.885 1.281 1.00 0.82 O ATOM 2220 CB THR A 146 16.854 9.142 0.098 1.00 0.40 C ATOM 2221 OG1 THR A 146 18.005 9.949 -0.090 1.00 0.52 O ATOM 2222 CG2 THR A 146 15.654 10.051 0.374 1.00 0.42 C ATOM 0 H THR A 146 18.986 9.175 1.307 1.00 0.40 H new ATOM 0 HA THR A 146 16.284 8.273 2.002 1.00 0.46 H new ATOM 0 HB THR A 146 16.647 8.546 -0.791 1.00 0.40 H new ATOM 0 HG1 THR A 146 18.061 10.611 0.630 1.00 0.52 H new ATOM 0 HG21 THR A 146 15.493 10.710 -0.479 1.00 0.42 H new ATOM 0 HG22 THR A 146 14.765 9.441 0.534 1.00 0.42 H new ATOM 0 HG23 THR A 146 15.848 10.650 1.264 1.00 0.42 H new