USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 21 ASN : amide:sc= -1.17 K(o=-7.2,f=-5.5) USER MOD Set 1.2: B 52 ASN : amide:sc= -6.05! C(o=-7.2!,f=-12!) USER MOD Set 2.1: B 26 GLN : amide:sc= -9.7! C(o=-17!,f=-3!) USER MOD Set 2.2: B 55 GLN : amide:sc= -7.69! K(o=-17!,f=-3) USER MOD Set 3.1: A 28 LYS NZ :NH3+ -127:sc= -1.06 (180deg=-3.88!) USER MOD Set 3.2: B 23 ASN : amide:sc= -7.32! C(o=-8.4!,f=-17!) USER MOD Set 3.3: B 24 SER OG : rot -130:sc= 0.0277 USER MOD Set 4.1: A 26 GLN : amide:sc= -5.58! K(o=-14!,f=-2.9) USER MOD Set 4.2: A 55 GLN : amide:sc= -8.6! C(o=-14!,f=-2.9!) USER MOD Set 5.1: A 21 ASN : amide:sc= -3.46 K(o=-10,f=-22!) USER MOD Set 5.2: A 52 ASN : amide:sc= -7! C(o=-10!,f=-18!) USER MOD Set 6.1: A 13 THR OG1 : rot 118:sc= -2.89 USER MOD Set 6.2: B 17 MET CE :methyl -128:sc= -12.2! (180deg=-12.7!) USER MOD Set 7.1: A 7 LYS NZ :NH3+ 162:sc= -0.491 (180deg=-0.386) USER MOD Set 7.2: B 7 LYS NZ :NH3+ -122:sc= 0.352 (180deg=-0.555) USER MOD Single : A 4 LYS NZ :NH3+ -147:sc= 0.566 (180deg=-0.631) USER MOD Single : A 6 ASN : amide:sc= -4.57! C(o=-4.6!,f=-9.5!) USER MOD Single : A 18 ASN : amide:sc= -2.79 K(o=-2.8,f=-10!) USER MOD Single : A 23 ASN : amide:sc= -2.52! C(o=-2.5!,f=-6.4!) USER MOD Single : A 33 SER OG : rot 76:sc= 0.853 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0271 K(o=-0.027,f=-0.84) USER MOD Single : A 41 SER OG : rot -91:sc= 0.354 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= -1.29 (180deg=-1.29) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 0.631 (180deg=0.305) USER MOD Single : B 6 ASN : amide:sc= -5.41! K(o=-5.4!,f=-1.6) USER MOD Single : B 32 ASN : amide:sc= -2.93! K(o=-2.9!,f=-2.3) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -3.43 K(o=-3.4,f=-1.1) USER MOD Single : B 41 SER OG : rot -10:sc= -4.33! USER MOD Single : B 43 ASN : amide:sc= -0.649 K(o=-0.65,f=-0.028) USER MOD Single : B 49 LYS NZ :NH3+ 144:sc= 1.11 (180deg=-0.893!) USER MOD Single : B 50 LYS NZ :NH3+ 150:sc= -1.92 (180deg=-3.77!) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 6.384 -10.659 7.296 1.00 0.00 N ATOM 46 CA LYS A 4 5.658 -9.766 8.200 1.00 0.00 C ATOM 47 C LYS A 4 5.825 -8.319 7.744 1.00 0.00 C ATOM 48 O LYS A 4 4.848 -7.579 7.645 1.00 0.00 O ATOM 49 CB LYS A 4 6.182 -9.925 9.637 1.00 0.00 C ATOM 50 CG LYS A 4 5.365 -9.055 10.603 1.00 0.00 C ATOM 51 CD LYS A 4 4.052 -9.766 10.950 1.00 0.00 C ATOM 52 CE LYS A 4 3.178 -8.862 11.830 1.00 0.00 C ATOM 53 NZ LYS A 4 3.974 -8.360 12.988 1.00 0.00 N ATOM 0 HA LYS A 4 4.600 -10.028 8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.122 -10.970 9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.233 -9.640 9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.938 -8.865 11.510 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.157 -8.086 10.149 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.517 -10.024 10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.262 -10.700 11.471 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.802 -8.023 11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.310 -9.416 12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.353 -8.253 13.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.731 -9.038 13.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.393 -7.439 12.748 1.00 0.00 H new ATOM 67 N PHE A 5 7.068 -7.939 7.449 1.00 0.00 N ATOM 68 CA PHE A 5 7.365 -6.594 6.985 1.00 0.00 C ATOM 69 C PHE A 5 6.586 -6.297 5.706 1.00 0.00 C ATOM 70 O PHE A 5 6.102 -5.189 5.527 1.00 0.00 O ATOM 71 CB PHE A 5 8.878 -6.418 6.753 1.00 0.00 C ATOM 72 CG PHE A 5 9.306 -7.093 5.464 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.506 -8.480 5.434 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.505 -6.329 4.301 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.903 -9.103 4.247 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.902 -6.958 3.116 1.00 0.00 C ATOM 77 CZ PHE A 5 10.102 -8.343 3.089 1.00 0.00 C ATOM 0 H PHE A 5 7.883 -8.548 7.525 1.00 0.00 H new ATOM 0 HA PHE A 5 7.058 -5.885 7.754 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.123 -5.357 6.712 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.431 -6.841 7.592 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.353 -9.067 6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.352 -5.260 4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.056 -10.172 4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.054 -6.374 2.221 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.410 -8.826 2.173 1.00 0.00 H new ATOM 87 N ASN A 6 6.473 -7.300 4.824 1.00 0.00 N ATOM 88 CA ASN A 6 5.744 -7.132 3.575 1.00 0.00 C ATOM 89 C ASN A 6 4.270 -6.891 3.846 1.00 0.00 C ATOM 90 O ASN A 6 3.661 -5.995 3.265 1.00 0.00 O ATOM 91 CB ASN A 6 5.875 -8.395 2.733 1.00 0.00 C ATOM 92 CG ASN A 6 5.325 -8.163 1.337 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.483 -7.087 0.782 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.670 -9.119 0.747 1.00 0.00 N ATOM 0 H ASN A 6 6.877 -8.227 4.958 1.00 0.00 H new ATOM 0 HA ASN A 6 6.163 -6.275 3.047 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.922 -8.692 2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.338 -9.215 3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.284 -8.973 -0.186 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.542 -10.015 1.217 1.00 0.00 H new ATOM 101 N LYS A 7 3.706 -7.693 4.749 1.00 0.00 N ATOM 102 CA LYS A 7 2.309 -7.553 5.100 1.00 0.00 C ATOM 103 C LYS A 7 2.120 -6.200 5.753 1.00 0.00 C ATOM 104 O LYS A 7 1.161 -5.497 5.478 1.00 0.00 O ATOM 105 CB LYS A 7 1.880 -8.680 6.051 1.00 0.00 C ATOM 106 CG LYS A 7 0.348 -8.732 6.139 1.00 0.00 C ATOM 107 CD LYS A 7 -0.101 -10.016 6.854 1.00 0.00 C ATOM 108 CE LYS A 7 -0.637 -11.019 5.827 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.234 -12.187 6.533 1.00 0.00 N ATOM 0 H LYS A 7 4.197 -8.438 5.243 1.00 0.00 H new ATOM 0 HA LYS A 7 1.688 -7.623 4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.265 -9.635 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.305 -8.514 7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.022 -7.859 6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.082 -8.695 5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.736 -10.452 7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.873 -9.784 7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.386 -10.542 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.169 -11.350 5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.855 -12.707 5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.476 -12.817 6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.789 -11.854 7.347 1.00 0.00 H new ATOM 123 N GLU A 8 3.074 -5.835 6.603 1.00 0.00 N ATOM 124 CA GLU A 8 3.028 -4.552 7.281 1.00 0.00 C ATOM 125 C GLU A 8 3.262 -3.415 6.290 1.00 0.00 C ATOM 126 O GLU A 8 2.610 -2.380 6.357 1.00 0.00 O ATOM 127 CB GLU A 8 4.066 -4.519 8.402 1.00 0.00 C ATOM 128 CG GLU A 8 3.629 -5.462 9.538 1.00 0.00 C ATOM 129 CD GLU A 8 4.719 -5.576 10.614 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.891 -5.505 10.272 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.362 -5.768 11.765 1.00 0.00 O ATOM 0 H GLU A 8 3.884 -6.409 6.836 1.00 0.00 H new ATOM 0 HA GLU A 8 2.039 -4.418 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.040 -4.822 8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.175 -3.503 8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.708 -5.092 9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.411 -6.449 9.131 1.00 0.00 H new ATOM 138 N LEU A 9 4.159 -3.652 5.342 1.00 0.00 N ATOM 139 CA LEU A 9 4.446 -2.686 4.277 1.00 0.00 C ATOM 140 C LEU A 9 3.164 -2.457 3.511 1.00 0.00 C ATOM 141 O LEU A 9 2.811 -1.329 3.178 1.00 0.00 O ATOM 142 CB LEU A 9 5.544 -3.245 3.352 1.00 0.00 C ATOM 143 CG LEU A 9 5.705 -2.356 2.106 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.523 -1.105 2.405 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.412 -3.132 1.017 1.00 0.00 C ATOM 0 H LEU A 9 4.707 -4.510 5.285 1.00 0.00 H new ATOM 0 HA LEU A 9 4.805 -1.743 4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.489 -3.299 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.291 -4.261 3.050 1.00 0.00 H new ATOM 0 HG LEU A 9 4.706 -2.056 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.613 -0.504 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.025 -0.521 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.516 -1.393 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.525 -2.501 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.396 -3.441 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.825 -4.014 0.759 1.00 0.00 H new ATOM 157 N GLY A 10 2.449 -3.542 3.274 1.00 0.00 N ATOM 158 CA GLY A 10 1.198 -3.464 2.593 1.00 0.00 C ATOM 159 C GLY A 10 0.146 -2.872 3.507 1.00 0.00 C ATOM 160 O GLY A 10 -0.699 -2.090 3.083 1.00 0.00 O ATOM 0 H GLY A 10 2.726 -4.484 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.300 -2.851 1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.890 -4.457 2.266 1.00 0.00 H new ATOM 164 N TRP A 11 0.171 -3.280 4.769 1.00 0.00 N ATOM 165 CA TRP A 11 -0.824 -2.794 5.691 1.00 0.00 C ATOM 166 C TRP A 11 -0.680 -1.346 6.042 1.00 0.00 C ATOM 167 O TRP A 11 -1.650 -0.595 5.963 1.00 0.00 O ATOM 168 CB TRP A 11 -0.939 -3.629 6.949 1.00 0.00 C ATOM 169 CG TRP A 11 -2.405 -3.702 7.302 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.885 -3.707 8.555 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.590 -3.736 6.409 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.269 -3.783 8.505 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.745 -3.791 7.210 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.774 -3.735 4.999 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.024 -3.837 6.648 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.040 -3.776 4.434 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.175 -3.826 5.253 1.00 0.00 C ATOM 0 H TRP A 11 0.853 -3.929 5.162 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.755 -2.897 5.134 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.532 -4.627 6.787 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.369 -3.180 7.762 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.291 -3.660 9.456 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.866 -3.828 9.331 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.909 -3.702 4.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.894 -3.881 7.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.151 -3.769 3.360 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.161 -3.856 4.813 1.00 0.00 H new ATOM 188 N ALA A 12 0.506 -0.948 6.438 1.00 0.00 N ATOM 189 CA ALA A 12 0.710 0.426 6.805 1.00 0.00 C ATOM 190 C ALA A 12 0.316 1.311 5.627 1.00 0.00 C ATOM 191 O ALA A 12 -0.313 2.346 5.805 1.00 0.00 O ATOM 192 CB ALA A 12 2.164 0.647 7.201 1.00 0.00 C ATOM 0 H ALA A 12 1.329 -1.547 6.512 1.00 0.00 H new ATOM 0 HA ALA A 12 0.090 0.684 7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.311 1.691 7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.411 0.008 8.049 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.812 0.400 6.360 1.00 0.00 H new ATOM 198 N THR A 13 0.624 0.841 4.415 1.00 0.00 N ATOM 199 CA THR A 13 0.247 1.545 3.198 1.00 0.00 C ATOM 200 C THR A 13 -1.258 1.768 3.181 1.00 0.00 C ATOM 201 O THR A 13 -1.718 2.874 2.927 1.00 0.00 O ATOM 202 CB THR A 13 0.670 0.682 2.016 1.00 0.00 C ATOM 203 OG1 THR A 13 2.061 0.818 1.840 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.057 1.095 0.741 1.00 0.00 C ATOM 0 H THR A 13 1.135 -0.027 4.256 1.00 0.00 H new ATOM 0 HA THR A 13 0.734 2.518 3.145 1.00 0.00 H new ATOM 0 HB THR A 13 0.411 -0.357 2.222 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.493 -0.053 1.964 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.267 0.460 -0.084 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.132 0.985 0.883 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.174 2.135 0.511 1.00 0.00 H new ATOM 212 N TRP A 14 -1.995 0.705 3.480 1.00 0.00 N ATOM 213 CA TRP A 14 -3.456 0.738 3.525 1.00 0.00 C ATOM 214 C TRP A 14 -3.968 1.633 4.640 1.00 0.00 C ATOM 215 O TRP A 14 -4.884 2.421 4.446 1.00 0.00 O ATOM 216 CB TRP A 14 -3.936 -0.671 3.801 1.00 0.00 C ATOM 217 CG TRP A 14 -5.402 -0.818 3.559 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.351 -0.815 4.520 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.096 -1.023 2.306 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.573 -1.075 3.944 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.469 -1.203 2.582 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.677 -1.091 0.967 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.380 -1.452 1.573 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.590 -1.332 -0.036 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.933 -1.520 0.261 1.00 0.00 C ATOM 0 H TRP A 14 -1.597 -0.208 3.699 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.826 1.128 2.577 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.392 -1.371 3.167 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.710 -0.935 4.834 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.178 -0.637 5.571 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.446 -1.162 4.464 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.634 -0.954 0.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.426 -1.592 1.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.258 -1.375 -1.063 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.635 -1.721 -0.535 1.00 0.00 H new ATOM 236 N GLU A 15 -3.379 1.477 5.817 1.00 0.00 N ATOM 237 CA GLU A 15 -3.787 2.249 6.980 1.00 0.00 C ATOM 238 C GLU A 15 -3.574 3.739 6.713 1.00 0.00 C ATOM 239 O GLU A 15 -4.423 4.567 7.048 1.00 0.00 O ATOM 240 CB GLU A 15 -2.989 1.763 8.192 1.00 0.00 C ATOM 241 CG GLU A 15 -3.356 0.292 8.480 1.00 0.00 C ATOM 242 CD GLU A 15 -2.393 -0.298 9.509 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.643 -0.129 10.691 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.420 -0.911 9.098 1.00 0.00 O ATOM 0 H GLU A 15 -2.617 0.822 5.991 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.848 2.107 7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.920 1.853 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.210 2.383 9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.379 0.230 8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.316 -0.288 7.558 1.00 0.00 H new ATOM 251 N ILE A 16 -2.465 4.056 6.040 1.00 0.00 N ATOM 252 CA ILE A 16 -2.164 5.434 5.646 1.00 0.00 C ATOM 253 C ILE A 16 -3.166 5.845 4.557 1.00 0.00 C ATOM 254 O ILE A 16 -3.644 6.980 4.515 1.00 0.00 O ATOM 255 CB ILE A 16 -0.722 5.506 5.085 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.299 5.149 6.180 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.411 6.913 4.555 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.678 4.880 5.554 1.00 0.00 C ATOM 0 H ILE A 16 -1.760 3.376 5.756 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.242 6.103 6.503 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.649 4.789 4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.371 5.964 6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.037 4.269 6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.607 6.939 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.110 7.164 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.509 7.637 5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.391 4.629 6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.603 4.049 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.018 5.771 5.027 1.00 0.00 H new ATOM 270 N PHE A 17 -3.472 4.875 3.691 1.00 0.00 N ATOM 271 CA PHE A 17 -4.418 5.048 2.586 1.00 0.00 C ATOM 272 C PHE A 17 -5.820 5.342 3.124 1.00 0.00 C ATOM 273 O PHE A 17 -6.575 6.124 2.546 1.00 0.00 O ATOM 274 CB PHE A 17 -4.465 3.733 1.790 1.00 0.00 C ATOM 275 CG PHE A 17 -4.707 3.962 0.322 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.625 4.198 -0.540 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.003 3.883 -0.190 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.845 4.359 -1.906 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.222 4.037 -1.557 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.146 4.274 -2.412 1.00 0.00 C ATOM 0 H PHE A 17 -3.067 3.940 3.738 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.097 5.880 1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.525 3.197 1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.254 3.096 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.622 4.255 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.836 3.703 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.015 4.548 -2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.224 3.973 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.319 4.393 -3.472 1.00 0.00 H new ATOM 290 N ASN A 18 -6.157 4.655 4.218 1.00 0.00 N ATOM 291 CA ASN A 18 -7.471 4.768 4.846 1.00 0.00 C ATOM 292 C ASN A 18 -7.538 5.883 5.894 1.00 0.00 C ATOM 293 O ASN A 18 -8.559 6.011 6.577 1.00 0.00 O ATOM 294 CB ASN A 18 -7.825 3.430 5.518 1.00 0.00 C ATOM 295 CG ASN A 18 -7.962 2.308 4.486 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.296 2.313 3.451 1.00 0.00 O ATOM 297 ND2 ASN A 18 -8.797 1.335 4.713 1.00 0.00 N ATOM 0 H ASN A 18 -5.527 4.007 4.691 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.183 5.017 4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.053 3.169 6.242 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.758 3.534 6.071 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.897 0.580 4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.351 1.327 5.570 1.00 0.00 H new ATOM 304 N LEU A 19 -6.479 6.691 6.037 1.00 0.00 N ATOM 305 CA LEU A 19 -6.517 7.762 7.030 1.00 0.00 C ATOM 306 C LEU A 19 -7.498 8.847 6.575 1.00 0.00 C ATOM 307 O LEU A 19 -7.587 9.138 5.381 1.00 0.00 O ATOM 308 CB LEU A 19 -5.124 8.351 7.270 1.00 0.00 C ATOM 309 CG LEU A 19 -4.481 7.692 8.507 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.095 8.262 8.721 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.296 7.982 9.765 1.00 0.00 C ATOM 0 H LEU A 19 -5.616 6.626 5.497 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.858 7.346 7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.496 8.190 6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.196 9.429 7.417 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.443 6.617 8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.641 7.796 9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.480 8.063 7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.165 9.338 8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.822 7.506 10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.344 9.059 9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.305 7.588 9.644 1.00 0.00 H new ATOM 323 N PRO A 20 -8.269 9.412 7.482 1.00 0.00 N ATOM 324 CA PRO A 20 -9.305 10.431 7.150 1.00 0.00 C ATOM 325 C PRO A 20 -8.803 11.875 7.017 1.00 0.00 C ATOM 326 O PRO A 20 -9.639 12.784 7.006 1.00 0.00 O ATOM 327 CB PRO A 20 -10.288 10.333 8.342 1.00 0.00 C ATOM 328 CG PRO A 20 -9.750 9.280 9.255 1.00 0.00 C ATOM 329 CD PRO A 20 -8.275 9.168 8.928 1.00 0.00 C ATOM 0 HA PRO A 20 -9.725 10.220 6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.367 11.290 8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.289 10.073 7.998 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.900 9.554 10.299 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.259 8.329 9.099 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.679 9.903 9.469 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.874 8.186 9.179 1.00 0.00 H new ATOM 337 N ASN A 21 -7.481 12.133 6.938 1.00 0.00 N ATOM 338 CA ASN A 21 -7.059 13.552 6.839 1.00 0.00 C ATOM 339 C ASN A 21 -5.824 13.768 5.972 1.00 0.00 C ATOM 340 O ASN A 21 -5.432 14.912 5.736 1.00 0.00 O ATOM 341 CB ASN A 21 -6.803 14.149 8.228 1.00 0.00 C ATOM 342 CG ASN A 21 -7.646 13.459 9.293 1.00 0.00 C ATOM 343 OD1 ASN A 21 -7.410 12.303 9.622 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.610 14.110 9.858 1.00 0.00 N ATOM 0 H ASN A 21 -6.734 11.439 6.940 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.891 14.063 6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.747 14.052 8.478 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.031 15.215 8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.175 13.661 10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.805 15.073 9.583 1.00 0.00 H new ATOM 351 N LEU A 22 -5.213 12.692 5.500 1.00 0.00 N ATOM 352 CA LEU A 22 -4.022 12.821 4.663 1.00 0.00 C ATOM 353 C LEU A 22 -4.395 13.208 3.243 1.00 0.00 C ATOM 354 O LEU A 22 -5.454 12.818 2.744 1.00 0.00 O ATOM 355 CB LEU A 22 -3.250 11.508 4.642 1.00 0.00 C ATOM 356 CG LEU A 22 -2.868 11.109 6.068 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.075 9.817 6.029 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.001 12.188 6.709 1.00 0.00 C ATOM 0 H LEU A 22 -5.513 11.733 5.676 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.397 13.606 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.857 10.726 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.353 11.612 4.031 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.780 10.983 6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.800 9.528 7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.682 9.031 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.172 9.962 5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.738 11.888 7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.092 12.320 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.553 13.127 6.740 1.00 0.00 H new ATOM 370 N ASN A 23 -3.510 13.965 2.590 1.00 0.00 N ATOM 371 CA ASN A 23 -3.753 14.385 1.218 1.00 0.00 C ATOM 372 C ASN A 23 -3.072 13.402 0.271 1.00 0.00 C ATOM 373 O ASN A 23 -2.220 12.617 0.692 1.00 0.00 O ATOM 374 CB ASN A 23 -3.266 15.832 1.000 1.00 0.00 C ATOM 375 CG ASN A 23 -1.850 15.879 0.432 1.00 0.00 C ATOM 376 OD1 ASN A 23 -0.892 15.513 1.108 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.668 16.315 -0.782 1.00 0.00 N ATOM 0 H ASN A 23 -2.630 14.294 2.988 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.823 14.379 1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.946 16.345 0.320 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.295 16.371 1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.727 16.353 -1.174 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.466 16.618 -1.340 1.00 0.00 H new ATOM 384 N GLY A 24 -3.471 13.432 -0.997 1.00 0.00 N ATOM 385 CA GLY A 24 -2.920 12.518 -1.995 1.00 0.00 C ATOM 386 C GLY A 24 -1.396 12.434 -1.930 1.00 0.00 C ATOM 387 O GLY A 24 -0.834 11.349 -2.047 1.00 0.00 O ATOM 0 H GLY A 24 -4.173 14.078 -1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.343 11.524 -1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.221 12.846 -2.990 1.00 0.00 H new ATOM 391 N VAL A 25 -0.734 13.576 -1.748 1.00 0.00 N ATOM 392 CA VAL A 25 0.728 13.601 -1.688 1.00 0.00 C ATOM 393 C VAL A 25 1.264 12.975 -0.409 1.00 0.00 C ATOM 394 O VAL A 25 2.196 12.178 -0.475 1.00 0.00 O ATOM 395 CB VAL A 25 1.240 15.034 -1.826 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.770 15.051 -1.709 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.830 15.565 -3.203 1.00 0.00 C ATOM 0 H VAL A 25 -1.180 14.487 -1.641 1.00 0.00 H new ATOM 0 HA VAL A 25 1.094 13.002 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 25 0.816 15.658 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.131 16.075 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.065 14.654 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.202 14.436 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.187 16.588 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.267 14.937 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.256 15.548 -3.291 1.00 0.00 H new ATOM 407 N GLN A 26 0.700 13.329 0.752 1.00 0.00 N ATOM 408 CA GLN A 26 1.188 12.761 1.997 1.00 0.00 C ATOM 409 C GLN A 26 1.012 11.254 1.994 1.00 0.00 C ATOM 410 O GLN A 26 1.934 10.523 2.353 1.00 0.00 O ATOM 411 CB GLN A 26 0.479 13.393 3.195 1.00 0.00 C ATOM 412 CG GLN A 26 1.420 14.415 3.855 1.00 0.00 C ATOM 413 CD GLN A 26 0.612 15.518 4.509 1.00 0.00 C ATOM 414 OE1 GLN A 26 0.690 16.679 4.112 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.169 15.212 5.490 1.00 0.00 N ATOM 0 H GLN A 26 -0.073 13.988 0.848 1.00 0.00 H new ATOM 0 HA GLN A 26 2.252 12.981 2.085 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.440 13.882 2.873 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.196 12.624 3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.043 13.920 4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.091 14.839 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.228 14.246 5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.728 15.936 5.942 1.00 0.00 H new ATOM 424 N VAL A 27 -0.152 10.789 1.544 1.00 0.00 N ATOM 425 CA VAL A 27 -0.396 9.351 1.472 1.00 0.00 C ATOM 426 C VAL A 27 0.607 8.724 0.508 1.00 0.00 C ATOM 427 O VAL A 27 1.241 7.717 0.822 1.00 0.00 O ATOM 428 CB VAL A 27 -1.829 9.057 1.002 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.046 7.541 0.954 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.835 9.674 1.982 1.00 0.00 C ATOM 0 H VAL A 27 -0.926 11.374 1.230 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.275 8.923 2.467 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.976 9.486 0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.062 7.329 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.336 7.094 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.895 7.120 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.849 9.462 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.686 9.246 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.685 10.753 2.026 1.00 0.00 H new ATOM 440 N LYS A 28 0.763 9.361 -0.653 1.00 0.00 N ATOM 441 CA LYS A 28 1.712 8.902 -1.665 1.00 0.00 C ATOM 442 C LYS A 28 3.132 8.918 -1.112 1.00 0.00 C ATOM 443 O LYS A 28 3.938 8.064 -1.453 1.00 0.00 O ATOM 444 CB LYS A 28 1.634 9.789 -2.924 1.00 0.00 C ATOM 445 CG LYS A 28 0.409 9.400 -3.771 1.00 0.00 C ATOM 446 CD LYS A 28 0.116 10.494 -4.812 1.00 0.00 C ATOM 447 CE LYS A 28 1.096 10.386 -5.989 1.00 0.00 C ATOM 448 NZ LYS A 28 2.426 10.930 -5.590 1.00 0.00 N ATOM 0 H LYS A 28 0.243 10.198 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 28 1.449 7.880 -1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.568 10.838 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.544 9.677 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.591 8.450 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.459 9.259 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.908 10.397 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.200 11.477 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.196 9.345 -6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.710 10.936 -6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.729 11.646 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.355 11.365 -4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.123 10.158 -5.563 1.00 0.00 H new ATOM 462 N ALA A 29 3.420 9.903 -0.263 1.00 0.00 N ATOM 463 CA ALA A 29 4.734 10.053 0.337 1.00 0.00 C ATOM 464 C ALA A 29 4.999 8.951 1.323 1.00 0.00 C ATOM 465 O ALA A 29 6.085 8.380 1.349 1.00 0.00 O ATOM 466 CB ALA A 29 4.823 11.378 1.068 1.00 0.00 C ATOM 0 H ALA A 29 2.748 10.615 0.024 1.00 0.00 H new ATOM 0 HA ALA A 29 5.473 10.012 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.812 11.481 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.655 12.194 0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.066 11.413 1.851 1.00 0.00 H new ATOM 472 N PHE A 30 3.992 8.650 2.130 1.00 0.00 N ATOM 473 CA PHE A 30 4.118 7.609 3.099 1.00 0.00 C ATOM 474 C PHE A 30 4.307 6.307 2.351 1.00 0.00 C ATOM 475 O PHE A 30 5.142 5.484 2.728 1.00 0.00 O ATOM 476 CB PHE A 30 2.888 7.578 4.004 1.00 0.00 C ATOM 477 CG PHE A 30 2.783 8.876 4.794 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.906 9.382 5.477 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.565 9.584 4.844 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.806 10.573 6.192 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.479 10.773 5.566 1.00 0.00 C ATOM 482 CZ PHE A 30 2.597 11.263 6.237 1.00 0.00 C ATOM 0 H PHE A 30 3.087 9.120 2.121 1.00 0.00 H new ATOM 0 HA PHE A 30 4.977 7.778 3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.989 7.435 3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.952 6.732 4.688 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.844 8.847 5.446 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.698 9.205 4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.668 10.963 6.713 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.545 11.315 5.605 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.526 12.184 6.796 1.00 0.00 H new ATOM 492 N ILE A 31 3.577 6.166 1.234 1.00 0.00 N ATOM 493 CA ILE A 31 3.726 4.995 0.393 1.00 0.00 C ATOM 494 C ILE A 31 5.124 4.989 -0.193 1.00 0.00 C ATOM 495 O ILE A 31 5.793 3.974 -0.189 1.00 0.00 O ATOM 496 CB ILE A 31 2.671 4.969 -0.738 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.289 4.652 -0.131 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.033 3.904 -1.806 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.215 4.648 -1.222 1.00 0.00 C ATOM 0 H ILE A 31 2.890 6.844 0.905 1.00 0.00 H new ATOM 0 HA ILE A 31 3.570 4.104 1.001 1.00 0.00 H new ATOM 0 HB ILE A 31 2.649 5.944 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.316 3.682 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.041 5.392 0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.277 3.904 -2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.005 4.139 -2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.072 2.920 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.754 4.423 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.177 5.628 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.457 3.891 -1.968 1.00 0.00 H new ATOM 511 N ASP A 32 5.550 6.143 -0.680 1.00 0.00 N ATOM 512 CA ASP A 32 6.875 6.282 -1.277 1.00 0.00 C ATOM 513 C ASP A 32 7.966 5.935 -0.276 1.00 0.00 C ATOM 514 O ASP A 32 8.936 5.247 -0.603 1.00 0.00 O ATOM 515 CB ASP A 32 7.057 7.713 -1.810 1.00 0.00 C ATOM 516 CG ASP A 32 6.175 7.955 -3.045 1.00 0.00 C ATOM 517 OD1 ASP A 32 5.776 6.988 -3.679 1.00 0.00 O ATOM 518 OD2 ASP A 32 5.912 9.109 -3.339 1.00 0.00 O ATOM 0 H ASP A 32 4.998 7.001 -0.675 1.00 0.00 H new ATOM 0 HA ASP A 32 6.958 5.582 -2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.802 8.431 -1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.103 7.879 -2.067 1.00 0.00 H new ATOM 523 N SER A 33 7.770 6.389 0.946 1.00 0.00 N ATOM 524 CA SER A 33 8.700 6.114 2.034 1.00 0.00 C ATOM 525 C SER A 33 8.650 4.627 2.381 1.00 0.00 C ATOM 526 O SER A 33 9.656 4.023 2.734 1.00 0.00 O ATOM 527 CB SER A 33 8.322 6.962 3.246 1.00 0.00 C ATOM 528 OG SER A 33 8.434 8.339 2.907 1.00 0.00 O ATOM 0 H SER A 33 6.967 6.957 1.217 1.00 0.00 H new ATOM 0 HA SER A 33 9.716 6.367 1.730 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.304 6.734 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.975 6.728 4.087 1.00 0.00 H new ATOM 0 HG SER A 33 7.674 8.601 2.346 1.00 0.00 H new ATOM 534 N LEU A 34 7.455 4.059 2.238 1.00 0.00 N ATOM 535 CA LEU A 34 7.206 2.637 2.479 1.00 0.00 C ATOM 536 C LEU A 34 8.006 1.800 1.483 1.00 0.00 C ATOM 537 O LEU A 34 8.756 0.906 1.868 1.00 0.00 O ATOM 538 CB LEU A 34 5.707 2.397 2.275 1.00 0.00 C ATOM 539 CG LEU A 34 4.967 2.264 3.602 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.665 3.063 3.572 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.632 0.804 3.817 1.00 0.00 C ATOM 0 H LEU A 34 6.624 4.576 1.949 1.00 0.00 H new ATOM 0 HA LEU A 34 7.508 2.354 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.282 3.222 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.561 1.492 1.686 1.00 0.00 H new ATOM 0 HG LEU A 34 5.599 2.645 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.151 2.956 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.888 4.115 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.026 2.688 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.102 0.688 4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.001 0.452 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.552 0.220 3.843 1.00 0.00 H new ATOM 553 N ARG A 35 7.846 2.116 0.202 1.00 0.00 N ATOM 554 CA ARG A 35 8.576 1.396 -0.863 1.00 0.00 C ATOM 555 C ARG A 35 10.082 1.523 -0.636 1.00 0.00 C ATOM 556 O ARG A 35 10.825 0.543 -0.717 1.00 0.00 O ATOM 557 CB ARG A 35 8.272 1.959 -2.270 1.00 0.00 C ATOM 558 CG ARG A 35 7.036 2.853 -2.248 1.00 0.00 C ATOM 559 CD ARG A 35 6.585 3.235 -3.662 1.00 0.00 C ATOM 560 NE ARG A 35 5.746 2.189 -4.215 1.00 0.00 N ATOM 561 CZ ARG A 35 6.263 1.201 -4.913 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.558 1.367 -6.169 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.485 0.071 -4.329 1.00 0.00 N ATOM 0 H ARG A 35 7.228 2.855 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 35 8.248 0.357 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.129 2.527 -2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.118 1.137 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.224 2.338 -1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.251 3.757 -1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.037 4.177 -3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.455 3.390 -4.300 1.00 0.00 H new ATOM 0 HE ARG A 35 4.738 2.220 -4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.389 2.267 -6.618 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.959 0.597 -6.705 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.260 -0.045 -3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.885 -0.705 -4.856 1.00 0.00 H new ATOM 577 N ASP A 36 10.507 2.757 -0.359 1.00 0.00 N ATOM 578 CA ASP A 36 11.911 3.072 -0.121 1.00 0.00 C ATOM 579 C ASP A 36 12.398 2.428 1.166 1.00 0.00 C ATOM 580 O ASP A 36 13.544 1.984 1.264 1.00 0.00 O ATOM 581 CB ASP A 36 12.079 4.585 -0.021 1.00 0.00 C ATOM 582 CG ASP A 36 13.556 4.964 -0.128 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.030 5.116 -1.242 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.192 5.094 0.906 1.00 0.00 O ATOM 0 H ASP A 36 9.886 3.563 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 36 12.500 2.682 -0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.513 5.074 -0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.673 4.941 0.926 1.00 0.00 H new ATOM 589 N ASP A 37 11.510 2.405 2.151 1.00 0.00 N ATOM 590 CA ASP A 37 11.817 1.842 3.461 1.00 0.00 C ATOM 591 C ASP A 37 10.615 1.084 4.002 1.00 0.00 C ATOM 592 O ASP A 37 9.751 1.651 4.677 1.00 0.00 O ATOM 593 CB ASP A 37 12.234 2.954 4.442 1.00 0.00 C ATOM 594 CG ASP A 37 13.099 3.997 3.738 1.00 0.00 C ATOM 595 OD1 ASP A 37 14.280 3.743 3.566 1.00 0.00 O ATOM 596 OD2 ASP A 37 12.565 5.035 3.379 1.00 0.00 O ATOM 0 H ASP A 37 10.563 2.773 2.067 1.00 0.00 H new ATOM 0 HA ASP A 37 12.650 1.147 3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.346 3.431 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.784 2.521 5.277 1.00 0.00 H new ATOM 601 N PRO A 38 10.538 -0.186 3.699 1.00 0.00 N ATOM 602 CA PRO A 38 9.413 -1.040 4.143 1.00 0.00 C ATOM 603 C PRO A 38 9.431 -1.326 5.639 1.00 0.00 C ATOM 604 O PRO A 38 8.382 -1.378 6.277 1.00 0.00 O ATOM 605 CB PRO A 38 9.552 -2.318 3.326 1.00 0.00 C ATOM 606 CG PRO A 38 10.739 -2.161 2.428 1.00 0.00 C ATOM 607 CD PRO A 38 11.516 -0.942 2.903 1.00 0.00 C ATOM 0 HA PRO A 38 8.457 -0.542 3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.681 -3.179 3.982 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.651 -2.496 2.740 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.366 -3.052 2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.422 -2.034 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.382 -1.228 3.501 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.888 -0.354 2.064 1.00 0.00 H new ATOM 615 N SER A 39 10.623 -1.483 6.201 1.00 0.00 N ATOM 616 CA SER A 39 10.749 -1.723 7.634 1.00 0.00 C ATOM 617 C SER A 39 10.239 -0.490 8.380 1.00 0.00 C ATOM 618 O SER A 39 9.794 -0.569 9.526 1.00 0.00 O ATOM 619 CB SER A 39 12.212 -1.992 7.998 1.00 0.00 C ATOM 620 OG SER A 39 12.989 -0.830 7.727 1.00 0.00 O ATOM 0 H SER A 39 11.507 -1.449 5.694 1.00 0.00 H new ATOM 0 HA SER A 39 10.161 -2.596 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.293 -2.259 9.052 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.591 -2.838 7.425 1.00 0.00 H new ATOM 0 HG SER A 39 13.925 -1.001 7.961 1.00 0.00 H new ATOM 626 N GLN A 40 10.312 0.647 7.684 1.00 0.00 N ATOM 627 CA GLN A 40 9.869 1.929 8.216 1.00 0.00 C ATOM 628 C GLN A 40 8.360 2.117 8.002 1.00 0.00 C ATOM 629 O GLN A 40 7.799 3.121 8.398 1.00 0.00 O ATOM 630 CB GLN A 40 10.635 3.047 7.492 1.00 0.00 C ATOM 631 CG GLN A 40 10.569 4.365 8.275 1.00 0.00 C ATOM 632 CD GLN A 40 11.363 5.441 7.540 1.00 0.00 C ATOM 633 OE1 GLN A 40 10.985 5.855 6.444 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.449 5.921 8.079 1.00 0.00 N ATOM 0 H GLN A 40 10.681 0.700 6.735 1.00 0.00 H new ATOM 0 HA GLN A 40 10.067 1.962 9.287 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.676 2.751 7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.216 3.192 6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.532 4.679 8.389 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.972 4.224 9.278 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.762 5.578 8.987 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.985 6.639 7.593 1.00 0.00 H new ATOM 643 N SER A 41 7.714 1.154 7.355 1.00 0.00 N ATOM 644 CA SER A 41 6.280 1.252 7.058 1.00 0.00 C ATOM 645 C SER A 41 5.452 1.624 8.289 1.00 0.00 C ATOM 646 O SER A 41 4.496 2.396 8.192 1.00 0.00 O ATOM 647 CB SER A 41 5.794 -0.103 6.545 1.00 0.00 C ATOM 648 OG SER A 41 5.895 -1.071 7.583 1.00 0.00 O ATOM 0 H SER A 41 8.155 0.296 7.024 1.00 0.00 H new ATOM 0 HA SER A 41 6.150 2.038 6.315 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.761 -0.025 6.206 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.389 -0.413 5.686 1.00 0.00 H new ATOM 0 HG SER A 41 6.767 -1.515 7.533 1.00 0.00 H new ATOM 654 N ALA A 42 5.837 1.088 9.438 1.00 0.00 N ATOM 655 CA ALA A 42 5.148 1.371 10.690 1.00 0.00 C ATOM 656 C ALA A 42 5.323 2.829 11.060 1.00 0.00 C ATOM 657 O ALA A 42 4.416 3.475 11.582 1.00 0.00 O ATOM 658 CB ALA A 42 5.769 0.530 11.792 1.00 0.00 C ATOM 0 H ALA A 42 6.628 0.451 9.530 1.00 0.00 H new ATOM 0 HA ALA A 42 4.089 1.143 10.573 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.261 0.733 12.735 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.666 -0.527 11.545 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.826 0.779 11.888 1.00 0.00 H new ATOM 664 N ASN A 43 6.521 3.314 10.786 1.00 0.00 N ATOM 665 CA ASN A 43 6.899 4.677 11.073 1.00 0.00 C ATOM 666 C ASN A 43 6.147 5.653 10.179 1.00 0.00 C ATOM 667 O ASN A 43 5.808 6.755 10.580 1.00 0.00 O ATOM 668 CB ASN A 43 8.398 4.804 10.834 1.00 0.00 C ATOM 669 CG ASN A 43 9.167 4.587 12.134 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.096 5.412 13.046 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.901 3.519 12.276 1.00 0.00 N ATOM 0 H ASN A 43 7.263 2.763 10.354 1.00 0.00 H new ATOM 0 HA ASN A 43 6.649 4.918 12.106 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.717 4.074 10.090 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.626 5.791 10.430 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.417 3.366 13.143 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.959 2.836 11.521 1.00 0.00 H new ATOM 678 N LEU A 44 5.916 5.216 8.961 1.00 0.00 N ATOM 679 CA LEU A 44 5.222 5.998 7.948 1.00 0.00 C ATOM 680 C LEU A 44 3.769 6.028 8.277 1.00 0.00 C ATOM 681 O LEU A 44 3.094 7.046 8.155 1.00 0.00 O ATOM 682 CB LEU A 44 5.513 5.338 6.614 1.00 0.00 C ATOM 683 CG LEU A 44 7.036 5.288 6.515 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.494 4.353 5.420 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.538 6.696 6.302 1.00 0.00 C ATOM 0 H LEU A 44 6.207 4.294 8.636 1.00 0.00 H new ATOM 0 HA LEU A 44 5.556 7.035 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.082 4.338 6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.083 5.909 5.791 1.00 0.00 H new ATOM 0 HG LEU A 44 7.453 4.888 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.583 4.345 5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.130 3.346 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.099 4.693 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.625 6.687 6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.115 7.098 5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.237 7.321 7.143 1.00 0.00 H new ATOM 697 N LEU A 45 3.340 4.902 8.779 1.00 0.00 N ATOM 698 CA LEU A 45 1.986 4.754 9.259 1.00 0.00 C ATOM 699 C LEU A 45 1.843 5.665 10.470 1.00 0.00 C ATOM 700 O LEU A 45 0.827 6.316 10.670 1.00 0.00 O ATOM 701 CB LEU A 45 1.734 3.291 9.636 1.00 0.00 C ATOM 702 CG LEU A 45 0.472 3.159 10.496 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.736 3.755 9.762 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.234 1.677 10.786 1.00 0.00 C ATOM 0 H LEU A 45 3.913 4.063 8.868 1.00 0.00 H new ATOM 0 HA LEU A 45 1.256 5.027 8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.628 2.691 8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.593 2.898 10.180 1.00 0.00 H new ATOM 0 HG LEU A 45 0.604 3.703 11.431 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.625 3.655 10.384 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.553 4.810 9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.889 3.224 8.822 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.661 1.565 11.398 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.102 1.139 9.847 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.092 1.268 11.320 1.00 0.00 H new ATOM 716 N ALA A 46 2.915 5.714 11.247 1.00 0.00 N ATOM 717 CA ALA A 46 2.977 6.553 12.431 1.00 0.00 C ATOM 718 C ALA A 46 2.927 8.010 12.029 1.00 0.00 C ATOM 719 O ALA A 46 2.187 8.813 12.599 1.00 0.00 O ATOM 720 CB ALA A 46 4.289 6.310 13.170 1.00 0.00 C ATOM 0 H ALA A 46 3.763 5.174 11.074 1.00 0.00 H new ATOM 0 HA ALA A 46 2.131 6.309 13.074 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.329 6.942 14.057 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.351 5.263 13.467 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.126 6.551 12.514 1.00 0.00 H new ATOM 726 N GLU A 47 3.723 8.317 11.018 1.00 0.00 N ATOM 727 CA GLU A 47 3.806 9.645 10.476 1.00 0.00 C ATOM 728 C GLU A 47 2.474 10.035 9.901 1.00 0.00 C ATOM 729 O GLU A 47 2.039 11.168 10.020 1.00 0.00 O ATOM 730 CB GLU A 47 4.831 9.647 9.353 1.00 0.00 C ATOM 731 CG GLU A 47 6.254 9.764 9.885 1.00 0.00 C ATOM 732 CD GLU A 47 6.409 11.007 10.767 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.129 12.094 10.286 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.794 10.853 11.915 1.00 0.00 O ATOM 0 H GLU A 47 4.330 7.641 10.554 1.00 0.00 H new ATOM 0 HA GLU A 47 4.091 10.345 11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.735 8.730 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.627 10.477 8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.506 8.872 10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.955 9.815 9.052 1.00 0.00 H new ATOM 741 N ALA A 48 1.835 9.066 9.279 1.00 0.00 N ATOM 742 CA ALA A 48 0.555 9.275 8.681 1.00 0.00 C ATOM 743 C ALA A 48 -0.474 9.517 9.764 1.00 0.00 C ATOM 744 O ALA A 48 -1.256 10.456 9.681 1.00 0.00 O ATOM 745 CB ALA A 48 0.221 8.046 7.874 1.00 0.00 C ATOM 0 H ALA A 48 2.197 8.117 9.180 1.00 0.00 H new ATOM 0 HA ALA A 48 0.561 10.148 8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.754 8.174 7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.979 7.899 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.195 7.176 8.530 1.00 0.00 H new ATOM 751 N LYS A 49 -0.423 8.690 10.807 1.00 0.00 N ATOM 752 CA LYS A 49 -1.319 8.852 11.941 1.00 0.00 C ATOM 753 C LYS A 49 -1.089 10.230 12.543 1.00 0.00 C ATOM 754 O LYS A 49 -2.005 10.860 13.068 1.00 0.00 O ATOM 755 CB LYS A 49 -1.067 7.760 12.991 1.00 0.00 C ATOM 756 CG LYS A 49 -1.544 6.398 12.459 1.00 0.00 C ATOM 757 CD LYS A 49 -3.061 6.258 12.649 1.00 0.00 C ATOM 758 CE LYS A 49 -3.567 5.015 11.904 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.880 3.799 12.431 1.00 0.00 N ATOM 0 H LYS A 49 0.226 7.907 10.887 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.353 8.759 11.608 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.005 7.714 13.232 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.593 8.003 13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.292 6.303 11.403 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.028 5.593 12.983 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.298 6.179 13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.567 7.148 12.275 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.645 4.918 12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.378 5.117 10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.212 2.961 11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.852 3.899 12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.096 3.689 13.442 1.00 0.00 H new ATOM 773 N LYS A 50 0.153 10.696 12.440 1.00 0.00 N ATOM 774 CA LYS A 50 0.511 11.997 12.942 1.00 0.00 C ATOM 775 C LYS A 50 0.008 13.086 12.014 1.00 0.00 C ATOM 776 O LYS A 50 -0.502 14.113 12.461 1.00 0.00 O ATOM 777 CB LYS A 50 2.032 12.074 13.104 1.00 0.00 C ATOM 778 CG LYS A 50 2.434 13.371 13.814 1.00 0.00 C ATOM 779 CD LYS A 50 3.955 13.383 14.016 1.00 0.00 C ATOM 780 CE LYS A 50 4.657 13.751 12.703 1.00 0.00 C ATOM 781 NZ LYS A 50 6.124 13.533 12.849 1.00 0.00 N ATOM 0 H LYS A 50 0.922 10.182 12.010 1.00 0.00 H new ATOM 0 HA LYS A 50 0.042 12.151 13.914 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.386 11.216 13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.510 12.025 12.126 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.126 14.234 13.223 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.926 13.446 14.776 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.221 14.100 14.793 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.292 12.404 14.356 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.267 13.143 11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.456 14.792 12.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.628 14.052 12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.435 13.876 13.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.334 12.518 12.767 1.00 0.00 H new ATOM 795 N LEU A 51 0.174 12.850 10.720 1.00 0.00 N ATOM 796 CA LEU A 51 -0.243 13.810 9.715 1.00 0.00 C ATOM 797 C LEU A 51 -1.752 13.892 9.646 1.00 0.00 C ATOM 798 O LEU A 51 -2.317 14.981 9.548 1.00 0.00 O ATOM 799 CB LEU A 51 0.319 13.437 8.336 1.00 0.00 C ATOM 800 CG LEU A 51 1.635 14.178 8.058 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.451 15.690 8.248 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.738 13.660 8.992 1.00 0.00 C ATOM 0 H LEU A 51 0.595 12.000 10.344 1.00 0.00 H new ATOM 0 HA LEU A 51 0.151 14.785 10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.486 12.361 8.287 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.410 13.682 7.564 1.00 0.00 H new ATOM 0 HG LEU A 51 1.927 13.991 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.393 16.199 8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.688 16.053 7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.140 15.893 9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.667 14.191 8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.445 13.827 10.029 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.886 12.593 8.824 1.00 0.00 H new ATOM 814 N ASN A 52 -2.400 12.733 9.706 1.00 0.00 N ATOM 815 CA ASN A 52 -3.843 12.688 9.661 1.00 0.00 C ATOM 816 C ASN A 52 -4.381 13.393 10.889 1.00 0.00 C ATOM 817 O ASN A 52 -5.299 14.196 10.795 1.00 0.00 O ATOM 818 CB ASN A 52 -4.351 11.239 9.583 1.00 0.00 C ATOM 819 CG ASN A 52 -4.819 10.725 10.944 1.00 0.00 C ATOM 820 OD1 ASN A 52 -4.025 10.240 11.732 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.071 10.804 11.263 1.00 0.00 N ATOM 0 H ASN A 52 -1.946 11.823 9.785 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.199 13.194 8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.174 11.181 8.870 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.556 10.596 9.206 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.389 10.461 12.170 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.740 11.209 10.608 1.00 0.00 H new ATOM 828 N ASP A 53 -3.776 13.095 12.044 1.00 0.00 N ATOM 829 CA ASP A 53 -4.198 13.726 13.276 1.00 0.00 C ATOM 830 C ASP A 53 -3.928 15.224 13.214 1.00 0.00 C ATOM 831 O ASP A 53 -4.754 16.034 13.635 1.00 0.00 O ATOM 832 CB ASP A 53 -3.486 13.112 14.482 1.00 0.00 C ATOM 833 CG ASP A 53 -3.960 13.793 15.767 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.030 13.445 16.241 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.254 14.664 16.249 1.00 0.00 O ATOM 0 H ASP A 53 -3.007 12.432 12.141 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.269 13.559 13.394 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.690 12.042 14.530 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.407 13.226 14.376 1.00 0.00 H new ATOM 840 N ALA A 54 -2.769 15.580 12.662 1.00 0.00 N ATOM 841 CA ALA A 54 -2.393 16.976 12.521 1.00 0.00 C ATOM 842 C ALA A 54 -3.397 17.681 11.617 1.00 0.00 C ATOM 843 O ALA A 54 -3.778 18.827 11.865 1.00 0.00 O ATOM 844 CB ALA A 54 -0.989 17.074 11.919 1.00 0.00 C ATOM 0 H ALA A 54 -2.079 14.918 12.307 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.392 17.454 13.500 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.710 18.123 11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.276 16.573 12.574 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.979 16.597 10.939 1.00 0.00 H new ATOM 850 N GLN A 55 -3.837 16.965 10.580 1.00 0.00 N ATOM 851 CA GLN A 55 -4.818 17.492 9.640 1.00 0.00 C ATOM 852 C GLN A 55 -6.238 17.287 10.171 1.00 0.00 C ATOM 853 O GLN A 55 -7.198 17.839 9.631 1.00 0.00 O ATOM 854 CB GLN A 55 -4.643 16.791 8.294 1.00 0.00 C ATOM 855 CG GLN A 55 -3.383 17.327 7.603 1.00 0.00 C ATOM 856 CD GLN A 55 -3.003 16.427 6.438 1.00 0.00 C ATOM 857 OE1 GLN A 55 -3.131 16.813 5.277 1.00 0.00 O ATOM 858 NE2 GLN A 55 -2.542 15.237 6.684 1.00 0.00 N ATOM 0 H GLN A 55 -3.526 16.016 10.373 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.660 18.563 9.515 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.561 15.714 8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.517 16.962 7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.558 18.342 7.246 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.561 17.377 8.317 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.437 14.920 7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.285 14.620 5.913 1.00 0.00 H new ATOM 867 N ALA A 56 -6.353 16.495 11.238 1.00 0.00 N ATOM 868 CA ALA A 56 -7.649 16.218 11.856 1.00 0.00 C ATOM 869 C ALA A 56 -8.018 17.338 12.820 1.00 0.00 C ATOM 870 O ALA A 56 -7.153 17.857 13.525 1.00 0.00 O ATOM 871 CB ALA A 56 -7.612 14.885 12.619 1.00 0.00 C ATOM 0 H ALA A 56 -5.564 16.034 11.692 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.396 16.154 11.065 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.586 14.698 13.071 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.371 14.077 11.928 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.853 14.933 13.400 1.00 0.00 H new ATOM 981 N PHE B 5 -10.504 -11.813 1.672 1.00 0.00 N ATOM 982 CA PHE B 5 -9.214 -11.535 1.071 1.00 0.00 C ATOM 983 C PHE B 5 -8.538 -10.304 1.672 1.00 0.00 C ATOM 984 O PHE B 5 -7.485 -9.926 1.210 1.00 0.00 O ATOM 985 CB PHE B 5 -9.392 -11.345 -0.443 1.00 0.00 C ATOM 986 CG PHE B 5 -9.360 -12.689 -1.132 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.049 -13.778 -0.581 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.640 -12.847 -2.322 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.016 -15.021 -1.219 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.608 -14.090 -2.960 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.295 -15.178 -2.409 1.00 0.00 C ATOM 0 HA PHE B 5 -8.565 -12.386 1.276 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.338 -10.843 -0.648 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.601 -10.706 -0.835 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.605 -13.657 0.337 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -8.109 -12.008 -2.747 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.547 -15.860 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -8.053 -14.211 -3.879 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.269 -16.139 -2.902 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.120 -9.694 2.710 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.486 -8.531 3.345 1.00 0.00 C ATOM 1003 C ASN B 6 -7.078 -8.915 3.802 1.00 0.00 C ATOM 1004 O ASN B 6 -6.143 -8.136 3.659 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.333 -8.032 4.529 1.00 0.00 C ATOM 1006 CG ASN B 6 -9.686 -9.185 5.467 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -10.859 -9.511 5.641 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -8.734 -9.821 6.082 1.00 0.00 N ATOM 0 H ASN B 6 -10.009 -9.977 3.122 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.416 -7.716 2.624 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -8.784 -7.266 5.077 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -10.246 -7.566 4.158 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -8.959 -10.592 6.710 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -7.762 -9.549 5.936 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.937 -10.146 4.299 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.639 -10.663 4.721 1.00 0.00 C ATOM 1017 C LYS B 7 -4.748 -10.780 3.494 1.00 0.00 C ATOM 1018 O LYS B 7 -3.588 -10.364 3.493 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.829 -12.046 5.365 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.470 -12.663 5.731 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.680 -14.104 6.219 1.00 0.00 C ATOM 1022 CE LYS B 7 -3.327 -14.800 6.396 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.676 -14.970 5.064 1.00 0.00 N ATOM 0 H LYS B 7 -7.709 -10.802 4.418 1.00 0.00 H new ATOM 0 HA LYS B 7 -5.180 -9.994 5.449 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.446 -11.955 6.259 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.360 -12.704 4.677 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.808 -12.653 4.865 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.987 -12.071 6.508 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -5.223 -14.101 7.164 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.290 -14.654 5.503 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.687 -14.211 7.053 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -3.465 -15.771 6.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -2.487 -15.979 4.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.306 -14.607 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.780 -14.443 5.046 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.343 -11.347 2.452 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.681 -11.545 1.175 1.00 0.00 C ATOM 1039 C GLU B 8 -4.409 -10.201 0.501 1.00 0.00 C ATOM 1040 O GLU B 8 -3.463 -10.059 -0.279 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.593 -12.410 0.279 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.836 -13.782 0.939 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.522 -14.398 1.433 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.662 -14.661 0.608 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.389 -14.580 2.635 1.00 0.00 O ATOM 0 H GLU B 8 -6.306 -11.684 2.473 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.726 -12.046 1.331 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.544 -11.902 0.117 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.132 -12.545 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.525 -13.669 1.776 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.310 -14.454 0.224 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.259 -9.227 0.813 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.157 -7.894 0.257 1.00 0.00 C ATOM 1054 C ARG B 9 -3.937 -7.176 0.819 1.00 0.00 C ATOM 1055 O ARG B 9 -3.221 -6.488 0.097 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.422 -7.101 0.605 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.261 -5.645 0.164 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.551 -4.873 0.440 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.769 -4.751 1.881 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.989 -4.801 2.407 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.804 -5.765 2.080 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.369 -3.890 3.254 1.00 0.00 N ATOM 0 H ARG B 9 -6.038 -9.347 1.461 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.053 -7.969 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.287 -7.546 0.113 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.607 -7.147 1.678 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.430 -5.184 0.697 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.021 -5.602 -0.898 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.494 -3.883 -0.012 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.396 -5.385 -0.021 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.966 -4.625 2.497 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.506 -6.483 1.419 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.740 -5.801 2.485 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.731 -3.138 3.514 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.305 -3.928 3.658 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.724 -7.340 2.125 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.609 -6.694 2.812 1.00 0.00 C ATOM 1078 C VAL B 10 -1.287 -7.110 2.177 1.00 0.00 C ATOM 1079 O VAL B 10 -0.378 -6.297 2.030 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.609 -7.077 4.301 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.541 -6.272 5.043 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -4.004 -6.841 4.924 1.00 0.00 C ATOM 0 H VAL B 10 -4.311 -7.916 2.728 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.725 -5.614 2.721 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.376 -8.138 4.393 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.545 -6.547 6.098 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.561 -6.487 4.616 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.754 -5.208 4.945 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.983 -7.118 5.978 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.271 -5.788 4.831 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.743 -7.450 4.403 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.200 -8.379 1.795 1.00 0.00 N ATOM 1093 CA ILE B 11 0.007 -8.902 1.166 1.00 0.00 C ATOM 1094 C ILE B 11 0.181 -8.300 -0.227 1.00 0.00 C ATOM 1095 O ILE B 11 1.300 -7.978 -0.619 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.048 -10.430 1.099 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.388 -10.971 2.514 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.317 -10.963 0.618 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.407 -12.245 2.836 1.00 0.00 C ATOM 0 H ILE B 11 -1.948 -9.063 1.909 1.00 0.00 H new ATOM 0 HA ILE B 11 0.870 -8.619 1.769 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.813 -10.762 0.398 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.169 -10.206 3.259 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.456 -11.181 2.577 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.285 -12.051 0.568 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.537 -10.560 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.095 -10.654 1.317 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.144 -12.596 3.834 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.168 -13.018 2.105 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.474 -12.027 2.798 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.929 -8.124 -0.964 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.860 -7.525 -2.292 1.00 0.00 C ATOM 1113 C ALA B 12 -0.335 -6.133 -2.163 1.00 0.00 C ATOM 1114 O ALA B 12 0.608 -5.781 -2.843 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.247 -7.489 -2.923 1.00 0.00 C ATOM 0 H ALA B 12 -1.867 -8.386 -0.662 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.201 -8.118 -2.926 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.184 -7.040 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.634 -8.504 -3.008 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.916 -6.897 -2.298 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.900 -5.376 -1.231 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.434 -4.024 -0.990 1.00 0.00 C ATOM 1123 C ILE B 13 1.043 -4.122 -0.666 1.00 0.00 C ATOM 1124 O ILE B 13 1.851 -3.378 -1.183 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.235 -3.408 0.177 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.721 -3.463 -0.160 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.872 -1.938 0.391 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.553 -3.264 1.098 1.00 0.00 C ATOM 0 H ILE B 13 -1.674 -5.675 -0.637 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.579 -3.379 -1.857 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.000 -3.974 1.078 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.964 -2.692 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.963 -4.423 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.455 -1.536 1.220 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.190 -1.855 0.620 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.093 -1.373 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.612 -3.305 0.844 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.321 -4.051 1.816 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.323 -2.293 1.537 1.00 0.00 H new ATOM 1140 N GLY B 14 1.389 -5.110 0.137 1.00 0.00 N ATOM 1141 CA GLY B 14 2.781 -5.351 0.483 1.00 0.00 C ATOM 1142 C GLY B 14 3.633 -5.647 -0.752 1.00 0.00 C ATOM 1143 O GLY B 14 4.757 -5.175 -0.854 1.00 0.00 O ATOM 0 H GLY B 14 0.728 -5.759 0.563 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.182 -4.480 1.001 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.843 -6.190 1.176 1.00 0.00 H new ATOM 1147 N GLU B 15 3.095 -6.426 -1.688 1.00 0.00 N ATOM 1148 CA GLU B 15 3.831 -6.786 -2.893 1.00 0.00 C ATOM 1149 C GLU B 15 3.998 -5.576 -3.785 1.00 0.00 C ATOM 1150 O GLU B 15 5.075 -5.331 -4.319 1.00 0.00 O ATOM 1151 CB GLU B 15 3.071 -7.892 -3.623 1.00 0.00 C ATOM 1152 CG GLU B 15 3.982 -8.614 -4.630 1.00 0.00 C ATOM 1153 CD GLU B 15 3.709 -10.121 -4.605 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.560 -10.503 -4.765 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.654 -10.872 -4.431 1.00 0.00 O ATOM 0 H GLU B 15 2.155 -6.818 -1.634 1.00 0.00 H new ATOM 0 HA GLU B 15 4.824 -7.146 -2.625 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.682 -8.609 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.213 -7.466 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.810 -8.223 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU B 15 5.027 -8.422 -4.388 1.00 0.00 H new ATOM 1162 N ILE B 16 2.921 -4.820 -3.934 1.00 0.00 N ATOM 1163 CA ILE B 16 2.961 -3.615 -4.776 1.00 0.00 C ATOM 1164 C ILE B 16 4.009 -2.662 -4.234 1.00 0.00 C ATOM 1165 O ILE B 16 4.898 -2.200 -4.948 1.00 0.00 O ATOM 1166 CB ILE B 16 1.606 -2.897 -4.739 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.492 -3.961 -4.720 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.482 -1.932 -5.934 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.535 -3.750 -5.782 1.00 0.00 C ATOM 0 H ILE B 16 2.019 -5.007 -3.495 1.00 0.00 H new ATOM 0 HA ILE B 16 3.196 -3.912 -5.798 1.00 0.00 H new ATOM 0 HB ILE B 16 1.515 -2.288 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.938 -4.948 -4.845 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.005 -3.952 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.516 -1.429 -5.896 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.280 -1.191 -5.887 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.563 -2.493 -6.865 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.292 -4.531 -5.716 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -1.006 -2.776 -5.645 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.059 -3.788 -6.762 1.00 0.00 H new ATOM 1181 N MET B 17 3.879 -2.404 -2.945 1.00 0.00 N ATOM 1182 CA MET B 17 4.789 -1.534 -2.221 1.00 0.00 C ATOM 1183 C MET B 17 6.230 -2.069 -2.301 1.00 0.00 C ATOM 1184 O MET B 17 7.182 -1.290 -2.258 1.00 0.00 O ATOM 1185 CB MET B 17 4.300 -1.404 -0.787 1.00 0.00 C ATOM 1186 CG MET B 17 2.871 -0.831 -0.800 1.00 0.00 C ATOM 1187 SD MET B 17 2.901 0.862 -1.387 1.00 0.00 S ATOM 1188 CE MET B 17 3.900 1.506 -0.049 1.00 0.00 C ATOM 0 H MET B 17 3.135 -2.795 -2.367 1.00 0.00 H new ATOM 0 HA MET B 17 4.803 -0.542 -2.673 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.312 -2.376 -0.294 1.00 0.00 H new ATOM 0 HB3 MET B 17 4.963 -0.751 -0.220 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.232 -1.437 -1.442 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.444 -0.871 0.202 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.406 2.373 0.389 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.027 0.737 0.713 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.876 1.801 -0.433 1.00 0.00 H new ATOM 1198 N ARG B 18 6.385 -3.395 -2.457 1.00 0.00 N ATOM 1199 CA ARG B 18 7.719 -3.993 -2.596 1.00 0.00 C ATOM 1200 C ARG B 18 8.318 -3.643 -3.959 1.00 0.00 C ATOM 1201 O ARG B 18 9.520 -3.399 -4.073 1.00 0.00 O ATOM 1202 CB ARG B 18 7.661 -5.514 -2.486 1.00 0.00 C ATOM 1203 CG ARG B 18 7.425 -5.962 -1.039 1.00 0.00 C ATOM 1204 CD ARG B 18 8.728 -6.458 -0.400 1.00 0.00 C ATOM 1205 NE ARG B 18 8.459 -7.622 0.443 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.696 -8.858 0.015 1.00 0.00 C ATOM 1207 NH1 ARG B 18 9.913 -9.225 -0.277 1.00 0.00 N ATOM 1208 NH2 ARG B 18 7.715 -9.703 -0.114 1.00 0.00 N ATOM 0 H ARG B 18 5.614 -4.062 -2.489 1.00 0.00 H new ATOM 0 HA ARG B 18 8.335 -3.592 -1.791 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.862 -5.896 -3.122 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.593 -5.943 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG B 18 7.023 -5.132 -0.458 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.679 -6.757 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.447 -6.719 -1.176 1.00 0.00 H new ATOM 0 HD3 ARG B 18 9.176 -5.663 0.196 1.00 0.00 H new ATOM 0 HE ARG B 18 8.081 -7.483 1.380 1.00 0.00 H new ATOM 0 HH11 ARG B 18 10.683 -8.564 -0.177 1.00 0.00 H new ATOM 0 HH12 ARG B 18 10.095 -10.173 -0.605 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.763 -9.417 0.113 1.00 0.00 H new ATOM 0 HH22 ARG B 18 7.898 -10.651 -0.443 1.00 0.00 H new ATOM 1222 N LEU B 19 7.459 -3.645 -4.991 1.00 0.00 N ATOM 1223 CA LEU B 19 7.889 -3.355 -6.363 1.00 0.00 C ATOM 1224 C LEU B 19 8.573 -1.994 -6.451 1.00 0.00 C ATOM 1225 O LEU B 19 7.925 -0.961 -6.295 1.00 0.00 O ATOM 1226 CB LEU B 19 6.688 -3.361 -7.313 1.00 0.00 C ATOM 1227 CG LEU B 19 6.019 -4.737 -7.378 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.693 -4.611 -8.121 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.907 -5.720 -8.128 1.00 0.00 C ATOM 0 H LEU B 19 6.463 -3.845 -4.898 1.00 0.00 H new ATOM 0 HA LEU B 19 8.597 -4.132 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.961 -2.619 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.013 -3.068 -8.311 1.00 0.00 H new ATOM 0 HG LEU B 19 5.856 -5.100 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.210 -5.587 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU B 19 4.045 -3.912 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.875 -4.244 -9.131 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.420 -6.694 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.075 -5.358 -9.142 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.863 -5.813 -7.613 1.00 0.00 H new ATOM 1241 N PRO B 20 9.862 -1.971 -6.701 1.00 0.00 N ATOM 1242 CA PRO B 20 10.635 -0.706 -6.809 1.00 0.00 C ATOM 1243 C PRO B 20 10.456 0.013 -8.153 1.00 0.00 C ATOM 1244 O PRO B 20 10.969 1.121 -8.323 1.00 0.00 O ATOM 1245 CB PRO B 20 12.096 -1.153 -6.626 1.00 0.00 C ATOM 1246 CG PRO B 20 12.086 -2.631 -6.416 1.00 0.00 C ATOM 1247 CD PRO B 20 10.743 -3.131 -6.909 1.00 0.00 C ATOM 0 HA PRO B 20 10.297 0.021 -6.070 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.690 -0.894 -7.503 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.549 -0.647 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.900 -3.105 -6.964 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.226 -2.873 -5.363 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.782 -3.425 -7.958 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.405 -4.001 -6.346 1.00 0.00 H new ATOM 1255 N ASN B 21 9.752 -0.612 -9.108 1.00 0.00 N ATOM 1256 CA ASN B 21 9.565 0.008 -10.422 1.00 0.00 C ATOM 1257 C ASN B 21 8.205 0.699 -10.536 1.00 0.00 C ATOM 1258 O ASN B 21 8.009 1.520 -11.435 1.00 0.00 O ATOM 1259 CB ASN B 21 9.707 -1.042 -11.530 1.00 0.00 C ATOM 1260 CG ASN B 21 11.037 -1.786 -11.406 1.00 0.00 C ATOM 1261 OD1 ASN B 21 12.040 -1.214 -10.979 1.00 0.00 O ATOM 1262 ND2 ASN B 21 11.102 -3.036 -11.767 1.00 0.00 N ATOM 0 H ASN B 21 9.313 -1.526 -8.997 1.00 0.00 H new ATOM 0 HA ASN B 21 10.339 0.767 -10.537 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.882 -1.752 -11.473 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.645 -0.559 -12.505 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.985 -3.542 -11.696 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.270 -3.509 -12.121 1.00 0.00 H new ATOM 1269 N LEU B 22 7.262 0.373 -9.638 1.00 0.00 N ATOM 1270 CA LEU B 22 5.937 0.998 -9.698 1.00 0.00 C ATOM 1271 C LEU B 22 5.977 2.465 -9.307 1.00 0.00 C ATOM 1272 O LEU B 22 6.777 2.891 -8.472 1.00 0.00 O ATOM 1273 CB LEU B 22 4.925 0.288 -8.783 1.00 0.00 C ATOM 1274 CG LEU B 22 4.666 -1.147 -9.229 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.409 -1.682 -8.537 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.452 -1.172 -10.724 1.00 0.00 C ATOM 0 H LEU B 22 7.388 -0.301 -8.883 1.00 0.00 H new ATOM 0 HA LEU B 22 5.621 0.907 -10.737 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.299 0.288 -7.759 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.987 0.842 -8.780 1.00 0.00 H new ATOM 0 HG LEU B 22 5.522 -1.768 -8.964 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.226 -2.708 -8.857 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.551 -1.659 -7.457 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.554 -1.061 -8.804 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.266 -2.196 -11.048 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.594 -0.550 -10.979 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.341 -0.788 -11.225 1.00 0.00 H new ATOM 1288 N ASN B 23 5.069 3.218 -9.921 1.00 0.00 N ATOM 1289 CA ASN B 23 4.928 4.640 -9.662 1.00 0.00 C ATOM 1290 C ASN B 23 4.138 4.829 -8.370 1.00 0.00 C ATOM 1291 O ASN B 23 3.368 3.950 -7.981 1.00 0.00 O ATOM 1292 CB ASN B 23 4.197 5.255 -10.876 1.00 0.00 C ATOM 1293 CG ASN B 23 3.258 6.392 -10.507 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.082 6.364 -10.850 1.00 0.00 O ATOM 1295 ND2 ASN B 23 3.714 7.403 -9.851 1.00 0.00 N ATOM 0 H ASN B 23 4.412 2.856 -10.612 1.00 0.00 H new ATOM 0 HA ASN B 23 5.892 5.133 -9.535 1.00 0.00 H new ATOM 0 HB2 ASN B 23 4.937 5.622 -11.588 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.628 4.474 -11.381 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.096 8.180 -9.617 1.00 0.00 H new ATOM 0 HD22 ASN B 23 4.693 7.426 -9.565 1.00 0.00 H new ATOM 1302 N SER B 24 4.314 5.976 -7.717 1.00 0.00 N ATOM 1303 CA SER B 24 3.591 6.244 -6.478 1.00 0.00 C ATOM 1304 C SER B 24 2.092 6.169 -6.740 1.00 0.00 C ATOM 1305 O SER B 24 1.346 5.553 -5.984 1.00 0.00 O ATOM 1306 CB SER B 24 3.959 7.638 -5.958 1.00 0.00 C ATOM 1307 OG SER B 24 3.484 8.626 -6.865 1.00 0.00 O ATOM 0 H SER B 24 4.940 6.722 -8.019 1.00 0.00 H new ATOM 0 HA SER B 24 3.864 5.501 -5.729 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.523 7.796 -4.971 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.040 7.722 -5.846 1.00 0.00 H new ATOM 0 HG SER B 24 4.209 9.251 -7.077 1.00 0.00 H new ATOM 1313 N LEU B 25 1.682 6.783 -7.846 1.00 0.00 N ATOM 1314 CA LEU B 25 0.290 6.791 -8.262 1.00 0.00 C ATOM 1315 C LEU B 25 -0.164 5.416 -8.749 1.00 0.00 C ATOM 1316 O LEU B 25 -1.311 5.039 -8.527 1.00 0.00 O ATOM 1317 CB LEU B 25 0.070 7.837 -9.365 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.840 8.944 -8.863 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -1.042 9.996 -9.961 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -2.180 8.331 -8.469 1.00 0.00 C ATOM 0 H LEU B 25 2.307 7.287 -8.475 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.311 7.052 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.027 8.256 -9.675 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.371 7.364 -10.243 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.389 9.432 -7.999 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.696 10.786 -9.592 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -0.078 10.423 -10.238 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.496 9.528 -10.834 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.846 9.114 -8.106 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.628 7.847 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -2.025 7.593 -7.682 1.00 0.00 H new ATOM 1332 N GLN B 26 0.732 4.668 -9.407 1.00 0.00 N ATOM 1333 CA GLN B 26 0.383 3.342 -9.902 1.00 0.00 C ATOM 1334 C GLN B 26 0.074 2.430 -8.735 1.00 0.00 C ATOM 1335 O GLN B 26 -0.905 1.687 -8.741 1.00 0.00 O ATOM 1336 CB GLN B 26 1.553 2.751 -10.682 1.00 0.00 C ATOM 1337 CG GLN B 26 1.619 3.329 -12.100 1.00 0.00 C ATOM 1338 CD GLN B 26 2.797 2.713 -12.845 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.013 3.008 -14.018 1.00 0.00 O ATOM 1340 NE2 GLN B 26 3.580 1.872 -12.225 1.00 0.00 N ATOM 0 H GLN B 26 1.690 4.959 -9.604 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.487 3.429 -10.552 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.486 2.959 -10.158 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.450 1.667 -10.732 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.690 3.123 -12.632 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.728 4.413 -12.058 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.398 1.629 -11.251 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.373 1.458 -12.714 1.00 0.00 H new ATOM 1349 N VAL B 27 0.923 2.527 -7.726 1.00 0.00 N ATOM 1350 CA VAL B 27 0.783 1.752 -6.515 1.00 0.00 C ATOM 1351 C VAL B 27 -0.524 2.115 -5.845 1.00 0.00 C ATOM 1352 O VAL B 27 -1.288 1.243 -5.445 1.00 0.00 O ATOM 1353 CB VAL B 27 2.006 2.026 -5.631 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.813 1.471 -4.217 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.215 1.349 -6.285 1.00 0.00 C ATOM 0 H VAL B 27 1.731 3.150 -7.728 1.00 0.00 H new ATOM 0 HA VAL B 27 0.749 0.682 -6.718 1.00 0.00 H new ATOM 0 HB VAL B 27 2.153 3.102 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.699 1.683 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.944 1.941 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.659 0.393 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.103 1.526 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.035 0.277 -6.360 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.368 1.762 -7.282 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.799 3.408 -5.798 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.041 3.897 -5.249 1.00 0.00 C ATOM 1367 C VAL B 28 -3.200 3.396 -6.121 1.00 0.00 C ATOM 1368 O VAL B 28 -4.276 3.082 -5.618 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.017 5.431 -5.206 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.358 5.944 -4.686 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.882 5.912 -4.283 1.00 0.00 C ATOM 0 H VAL B 28 -0.171 4.137 -6.137 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.175 3.528 -4.232 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.844 5.818 -6.210 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.343 7.033 -4.655 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.157 5.611 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.532 5.554 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.871 7.002 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.044 5.527 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.073 5.548 -4.661 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.951 3.307 -7.434 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.952 2.830 -8.384 1.00 0.00 C ATOM 1383 C ALA B 29 -4.337 1.409 -8.029 1.00 0.00 C ATOM 1384 O ALA B 29 -5.518 1.048 -8.001 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.366 2.852 -9.807 1.00 0.00 C ATOM 0 H ALA B 29 -2.059 3.561 -7.859 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.829 3.475 -8.341 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.115 2.496 -10.514 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -3.078 3.871 -10.066 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.490 2.205 -9.850 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.313 0.615 -7.745 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.496 -0.756 -7.382 1.00 0.00 C ATOM 1393 C PHE B 30 -4.142 -0.854 -5.996 1.00 0.00 C ATOM 1394 O PHE B 30 -5.095 -1.605 -5.817 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.129 -1.461 -7.444 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.596 -1.432 -8.878 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.418 -1.808 -9.962 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.282 -0.986 -9.136 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.931 -1.734 -11.265 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.191 -0.925 -10.444 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.631 -1.295 -11.507 1.00 0.00 C ATOM 0 H PHE B 30 -2.339 0.917 -7.764 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.173 -1.253 -8.077 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.424 -0.968 -6.774 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.225 -2.492 -7.103 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.425 -2.153 -9.781 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.358 -0.691 -8.317 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.565 -2.018 -12.092 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.199 -0.589 -10.636 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.260 -1.241 -12.520 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.660 -0.055 -5.034 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.239 -0.058 -3.687 1.00 0.00 C ATOM 1413 C ILE B 31 -5.724 0.310 -3.763 1.00 0.00 C ATOM 1414 O ILE B 31 -6.572 -0.336 -3.146 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.481 0.936 -2.786 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -2.031 0.458 -2.585 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.167 1.028 -1.417 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.177 1.611 -2.043 1.00 0.00 C ATOM 0 H ILE B 31 -2.882 0.592 -5.162 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.146 -1.055 -3.256 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.484 1.915 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -2.008 -0.382 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.621 0.102 -3.530 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.626 1.732 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.193 1.371 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.170 0.046 -0.945 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.152 1.269 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.189 2.438 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.582 1.946 -1.088 1.00 0.00 H new ATOM 1430 N ASN B 32 -6.017 1.341 -4.549 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.398 1.803 -4.745 1.00 0.00 C ATOM 1432 C ASN B 32 -8.294 0.687 -5.295 1.00 0.00 C ATOM 1433 O ASN B 32 -9.491 0.660 -5.009 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.440 2.972 -5.747 1.00 0.00 C ATOM 1435 CG ASN B 32 -7.228 4.314 -5.054 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -7.931 4.641 -4.100 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -6.309 5.125 -5.496 1.00 0.00 N ATOM 0 H ASN B 32 -5.319 1.877 -5.064 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.764 2.119 -3.768 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.671 2.829 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.400 2.976 -6.262 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -6.172 6.032 -5.050 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -5.726 4.853 -6.288 1.00 0.00 H new ATOM 1444 N SER B 33 -7.722 -0.219 -6.099 1.00 0.00 N ATOM 1445 CA SER B 33 -8.499 -1.295 -6.684 1.00 0.00 C ATOM 1446 C SER B 33 -8.795 -2.365 -5.653 1.00 0.00 C ATOM 1447 O SER B 33 -9.841 -3.012 -5.709 1.00 0.00 O ATOM 1448 CB SER B 33 -7.774 -1.855 -7.886 1.00 0.00 C ATOM 1449 OG SER B 33 -8.227 -1.194 -9.062 1.00 0.00 O ATOM 0 H SER B 33 -6.734 -0.221 -6.351 1.00 0.00 H new ATOM 0 HA SER B 33 -9.458 -0.903 -7.022 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.699 -1.720 -7.771 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.954 -2.927 -7.966 1.00 0.00 H new ATOM 0 HG SER B 33 -7.756 -1.555 -9.842 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.896 -2.528 -4.683 1.00 0.00 N ATOM 1456 CA LEU B 34 -8.138 -3.498 -3.625 1.00 0.00 C ATOM 1457 C LEU B 34 -9.367 -3.013 -2.873 1.00 0.00 C ATOM 1458 O LEU B 34 -10.276 -3.782 -2.557 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.950 -3.599 -2.666 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.622 -3.542 -3.435 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.443 -3.767 -2.502 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.622 -4.608 -4.506 1.00 0.00 C ATOM 0 H LEU B 34 -7.018 -2.015 -4.610 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.283 -4.491 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.991 -2.785 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -7.010 -4.530 -2.103 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.523 -2.554 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.515 -3.722 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.435 -2.995 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.533 -4.746 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.681 -4.572 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.735 -5.589 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.450 -4.434 -5.193 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.386 -1.694 -2.647 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.528 -1.040 -1.989 1.00 0.00 C ATOM 1476 C ARG B 35 -11.778 -1.262 -2.820 1.00 0.00 C ATOM 1477 O ARG B 35 -12.848 -1.551 -2.286 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.305 0.476 -1.846 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.315 0.757 -0.717 1.00 0.00 C ATOM 1480 CD ARG B 35 -9.285 2.240 -0.382 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.789 2.429 0.982 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.288 3.380 1.765 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -8.884 4.612 1.638 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.185 3.081 2.660 1.00 0.00 N ATOM 0 H ARG B 35 -8.630 -1.061 -2.907 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.635 -1.474 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.926 0.886 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -11.253 0.973 -1.641 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -9.594 0.185 0.168 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -8.319 0.425 -1.010 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.645 2.769 -1.088 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -10.284 2.664 -0.478 1.00 0.00 H new ATOM 0 HE ARG B 35 -8.050 1.822 1.337 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.183 4.849 0.936 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.269 5.340 2.240 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -10.504 2.117 2.760 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -10.568 3.810 3.261 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.617 -1.136 -4.136 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.715 -1.337 -5.069 1.00 0.00 C ATOM 1500 C ASP B 36 -13.239 -2.766 -4.945 1.00 0.00 C ATOM 1501 O ASP B 36 -14.446 -3.002 -4.997 1.00 0.00 O ATOM 1502 CB ASP B 36 -12.226 -1.061 -6.505 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.874 0.423 -6.702 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.278 1.243 -5.888 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -11.196 0.719 -7.672 1.00 0.00 O ATOM 0 H ASP B 36 -10.730 -0.894 -4.578 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.527 -0.648 -4.836 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.351 -1.675 -6.718 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.999 -1.351 -7.216 1.00 0.00 H new ATOM 1510 N ASP B 37 -12.306 -3.702 -4.752 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.637 -5.120 -4.591 1.00 0.00 C ATOM 1512 C ASP B 37 -11.391 -5.918 -4.209 1.00 0.00 C ATOM 1513 O ASP B 37 -10.476 -6.082 -5.021 1.00 0.00 O ATOM 1514 CB ASP B 37 -13.234 -5.702 -5.886 1.00 0.00 C ATOM 1515 CG ASP B 37 -14.752 -5.841 -5.758 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -15.186 -6.679 -4.983 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -15.457 -5.118 -6.442 1.00 0.00 O ATOM 0 H ASP B 37 -11.307 -3.500 -4.703 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.379 -5.197 -3.796 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -12.992 -5.055 -6.729 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.790 -6.675 -6.094 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.345 -6.428 -2.998 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.198 -7.243 -2.516 1.00 0.00 C ATOM 1524 C PRO B 38 -10.179 -8.632 -3.155 1.00 0.00 C ATOM 1525 O PRO B 38 -9.205 -9.375 -3.017 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.404 -7.347 -1.000 1.00 0.00 C ATOM 1527 CG PRO B 38 -11.640 -6.583 -0.661 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.376 -6.288 -1.959 1.00 0.00 C ATOM 0 HA PRO B 38 -9.244 -6.786 -2.779 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.503 -8.389 -0.697 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.544 -6.941 -0.468 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.272 -7.160 0.014 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.387 -5.656 -0.146 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.199 -6.985 -2.118 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.804 -5.286 -1.955 1.00 0.00 H new ATOM 1536 N SER B 39 -11.268 -8.967 -3.853 1.00 0.00 N ATOM 1537 CA SER B 39 -11.392 -10.257 -4.513 1.00 0.00 C ATOM 1538 C SER B 39 -10.308 -10.404 -5.565 1.00 0.00 C ATOM 1539 O SER B 39 -9.676 -11.457 -5.672 1.00 0.00 O ATOM 1540 CB SER B 39 -12.771 -10.376 -5.167 1.00 0.00 C ATOM 1541 OG SER B 39 -13.775 -10.090 -4.202 1.00 0.00 O ATOM 0 H SER B 39 -12.076 -8.356 -3.972 1.00 0.00 H new ATOM 0 HA SER B 39 -11.279 -11.049 -3.772 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.849 -9.684 -6.006 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.911 -11.380 -5.568 1.00 0.00 H new ATOM 0 HG SER B 39 -14.659 -10.164 -4.618 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.091 -9.331 -6.331 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.077 -9.337 -7.366 1.00 0.00 C ATOM 1549 C GLN B 40 -7.870 -8.524 -6.932 1.00 0.00 C ATOM 1550 O GLN B 40 -7.145 -7.999 -7.773 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.622 -8.806 -8.711 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.163 -8.760 -8.736 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.664 -7.360 -8.375 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -12.769 -6.981 -8.759 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -10.918 -6.567 -7.654 1.00 0.00 N ATOM 0 H GLN B 40 -10.606 -8.455 -6.247 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.775 -10.373 -7.518 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.227 -7.806 -8.892 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.266 -9.441 -9.522 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.525 -9.038 -9.726 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.566 -9.489 -8.033 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -10.001 -6.880 -7.335 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -11.252 -5.635 -7.410 1.00 0.00 H new ATOM 1564 N SER B 41 -7.637 -8.431 -5.617 1.00 0.00 N ATOM 1565 CA SER B 41 -6.496 -7.682 -5.123 1.00 0.00 C ATOM 1566 C SER B 41 -5.229 -8.225 -5.743 1.00 0.00 C ATOM 1567 O SER B 41 -4.290 -7.488 -6.022 1.00 0.00 O ATOM 1568 CB SER B 41 -6.420 -7.796 -3.594 1.00 0.00 C ATOM 1569 OG SER B 41 -5.278 -7.101 -3.109 1.00 0.00 O ATOM 0 H SER B 41 -8.216 -8.859 -4.895 1.00 0.00 H new ATOM 0 HA SER B 41 -6.608 -6.632 -5.394 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.324 -7.384 -3.145 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.369 -8.845 -3.302 1.00 0.00 H new ATOM 0 HG SER B 41 -4.708 -6.842 -3.863 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.254 -9.521 -5.966 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.157 -10.244 -6.579 1.00 0.00 C ATOM 1577 C ALA B 42 -4.059 -9.914 -8.068 1.00 0.00 C ATOM 1578 O ALA B 42 -2.988 -10.015 -8.659 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.406 -11.741 -6.415 1.00 0.00 C ATOM 0 H ALA B 42 -6.049 -10.113 -5.723 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.224 -9.954 -6.095 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.588 -12.298 -6.872 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.464 -11.986 -5.355 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.344 -12.009 -6.901 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.205 -9.555 -8.659 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.301 -9.241 -10.082 1.00 0.00 C ATOM 1587 C ASN B 43 -4.625 -7.933 -10.432 1.00 0.00 C ATOM 1588 O ASN B 43 -3.779 -7.882 -11.318 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.758 -9.133 -10.451 1.00 0.00 C ATOM 1590 CG ASN B 43 -6.941 -9.273 -11.960 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.447 -10.290 -12.433 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.545 -8.312 -12.748 1.00 0.00 N ATOM 0 H ASN B 43 -6.091 -9.475 -8.160 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.799 -10.037 -10.632 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.327 -9.907 -9.937 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.153 -8.173 -10.119 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -6.655 -8.403 -13.758 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.126 -7.470 -12.354 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.003 -6.869 -9.733 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.405 -5.592 -9.986 1.00 0.00 C ATOM 1601 C LEU B 44 -3.007 -5.607 -9.386 1.00 0.00 C ATOM 1602 O LEU B 44 -2.092 -4.962 -9.881 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.320 -4.412 -9.586 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.532 -4.225 -8.092 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.444 -5.301 -7.537 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.228 -4.172 -7.334 1.00 0.00 C ATOM 0 H LEU B 44 -5.712 -6.878 -9.000 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.288 -5.414 -11.055 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.898 -3.493 -9.993 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.292 -4.553 -10.058 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.018 -3.259 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.580 -5.146 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.411 -5.252 -8.037 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.997 -6.280 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.430 -4.037 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.682 -5.103 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.629 -3.337 -7.698 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.831 -6.449 -8.365 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.517 -6.657 -7.795 1.00 0.00 C ATOM 1620 C LEU B 45 -0.709 -7.285 -8.910 1.00 0.00 C ATOM 1621 O LEU B 45 0.469 -7.001 -9.105 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.589 -7.623 -6.603 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.257 -8.370 -6.423 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.863 -7.367 -6.159 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.367 -9.358 -5.253 1.00 0.00 C ATOM 0 H LEU B 45 -3.578 -6.988 -7.927 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.082 -5.727 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.826 -7.069 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.395 -8.340 -6.759 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.030 -8.925 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.806 -7.899 -6.032 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.944 -6.682 -7.003 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.640 -6.803 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.580 -9.884 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.601 -8.814 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.158 -10.079 -5.459 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.411 -8.121 -9.666 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.821 -8.783 -10.809 1.00 0.00 C ATOM 1639 C ALA B 46 -0.442 -7.705 -11.807 1.00 0.00 C ATOM 1640 O ALA B 46 0.664 -7.690 -12.339 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.821 -9.767 -11.441 1.00 0.00 C ATOM 0 H ALA B 46 -2.391 -8.353 -9.503 1.00 0.00 H new ATOM 0 HA ALA B 46 0.055 -9.356 -10.507 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.359 -10.255 -12.299 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.105 -10.519 -10.705 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.709 -9.225 -11.767 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.372 -6.764 -11.992 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.155 -5.629 -12.867 1.00 0.00 C ATOM 1649 C GLU B 47 0.048 -4.839 -12.376 1.00 0.00 C ATOM 1650 O GLU B 47 0.778 -4.252 -13.167 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.372 -4.687 -12.858 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.605 -5.341 -13.472 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.339 -5.783 -14.912 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.945 -4.947 -15.710 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.534 -6.953 -15.196 1.00 0.00 O ATOM 0 H GLU B 47 -2.286 -6.775 -11.540 1.00 0.00 H new ATOM 0 HA GLU B 47 -0.993 -6.006 -13.877 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.592 -4.389 -11.833 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.131 -3.778 -13.409 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.899 -6.203 -12.873 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.439 -4.640 -13.452 1.00 0.00 H new ATOM 1662 N ALA B 48 0.220 -4.818 -11.052 1.00 0.00 N ATOM 1663 CA ALA B 48 1.302 -4.087 -10.428 1.00 0.00 C ATOM 1664 C ALA B 48 2.623 -4.769 -10.641 1.00 0.00 C ATOM 1665 O ALA B 48 3.585 -4.159 -11.075 1.00 0.00 O ATOM 1666 CB ALA B 48 1.037 -4.067 -8.941 1.00 0.00 C ATOM 0 H ALA B 48 -0.388 -5.307 -10.395 1.00 0.00 H new ATOM 0 HA ALA B 48 1.348 -3.088 -10.862 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.835 -3.522 -8.436 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.084 -3.575 -8.748 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.001 -5.089 -8.564 1.00 0.00 H new ATOM 1672 N LYS B 49 2.646 -6.049 -10.358 1.00 0.00 N ATOM 1673 CA LYS B 49 3.848 -6.830 -10.545 1.00 0.00 C ATOM 1674 C LYS B 49 4.240 -6.750 -12.016 1.00 0.00 C ATOM 1675 O LYS B 49 5.412 -6.628 -12.354 1.00 0.00 O ATOM 1676 CB LYS B 49 3.582 -8.259 -10.081 1.00 0.00 C ATOM 1677 CG LYS B 49 3.574 -8.327 -8.552 1.00 0.00 C ATOM 1678 CD LYS B 49 3.498 -9.796 -8.111 1.00 0.00 C ATOM 1679 CE LYS B 49 2.126 -10.387 -8.466 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.598 -11.157 -7.306 1.00 0.00 N ATOM 0 H LYS B 49 1.848 -6.573 -9.998 1.00 0.00 H new ATOM 0 HA LYS B 49 4.680 -6.448 -9.954 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.625 -8.604 -10.472 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.347 -8.926 -10.478 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.474 -7.861 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.724 -7.772 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.286 -10.370 -8.598 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.667 -9.870 -7.037 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.433 -9.589 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.213 -11.036 -9.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.566 -11.038 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.825 -12.165 -7.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 2.034 -10.806 -6.429 1.00 0.00 H new ATOM 1694 N LYS B 50 3.215 -6.742 -12.869 1.00 0.00 N ATOM 1695 CA LYS B 50 3.388 -6.597 -14.310 1.00 0.00 C ATOM 1696 C LYS B 50 3.828 -5.186 -14.662 1.00 0.00 C ATOM 1697 O LYS B 50 4.640 -4.995 -15.559 1.00 0.00 O ATOM 1698 CB LYS B 50 2.084 -6.900 -15.039 1.00 0.00 C ATOM 1699 CG LYS B 50 1.842 -8.419 -15.078 1.00 0.00 C ATOM 1700 CD LYS B 50 0.745 -8.757 -16.099 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.602 -8.164 -15.661 1.00 0.00 C ATOM 1702 NZ LYS B 50 -0.778 -6.821 -16.284 1.00 0.00 N ATOM 0 H LYS B 50 2.242 -6.836 -12.578 1.00 0.00 H new ATOM 0 HA LYS B 50 4.156 -7.305 -14.622 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.253 -6.404 -14.537 1.00 0.00 H new ATOM 0 HB3 LYS B 50 2.125 -6.504 -16.054 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.765 -8.935 -15.342 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.550 -8.773 -14.089 1.00 0.00 H new ATOM 0 HD2 LYS B 50 1.019 -8.366 -17.079 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.656 -9.839 -16.201 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -1.417 -8.825 -15.958 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.639 -8.081 -14.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -1.791 -6.638 -16.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -0.384 -6.092 -15.655 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -0.282 -6.795 -17.198 1.00 0.00 H new ATOM 1716 N LEU B 51 3.283 -4.195 -13.958 1.00 0.00 N ATOM 1717 CA LEU B 51 3.647 -2.805 -14.221 1.00 0.00 C ATOM 1718 C LEU B 51 5.072 -2.585 -13.805 1.00 0.00 C ATOM 1719 O LEU B 51 5.851 -1.942 -14.504 1.00 0.00 O ATOM 1720 CB LEU B 51 2.728 -1.844 -13.460 1.00 0.00 C ATOM 1721 CG LEU B 51 1.799 -1.138 -14.445 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.630 -0.205 -15.343 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.042 -2.178 -15.299 1.00 0.00 C ATOM 0 H LEU B 51 2.599 -4.325 -13.213 1.00 0.00 H new ATOM 0 HA LEU B 51 3.535 -2.606 -15.287 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.143 -2.392 -12.721 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.323 -1.111 -12.915 1.00 0.00 H new ATOM 0 HG LEU B 51 1.065 -0.547 -13.897 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.972 0.302 -16.049 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.140 0.535 -14.726 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.368 -0.790 -15.891 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.382 -1.664 -15.998 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.758 -2.783 -15.854 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.450 -2.822 -14.648 1.00 0.00 H new ATOM 1735 N ASN B 52 5.409 -3.179 -12.680 1.00 0.00 N ATOM 1736 CA ASN B 52 6.764 -3.113 -12.179 1.00 0.00 C ATOM 1737 C ASN B 52 7.647 -3.767 -13.210 1.00 0.00 C ATOM 1738 O ASN B 52 8.733 -3.285 -13.524 1.00 0.00 O ATOM 1739 CB ASN B 52 6.868 -3.841 -10.844 1.00 0.00 C ATOM 1740 CG ASN B 52 8.329 -3.991 -10.432 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.839 -3.229 -9.613 1.00 0.00 O ATOM 1742 ND2 ASN B 52 9.034 -4.937 -10.969 1.00 0.00 N ATOM 0 H ASN B 52 4.764 -3.712 -12.096 1.00 0.00 H new ATOM 0 HA ASN B 52 7.069 -2.080 -12.012 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.323 -3.289 -10.078 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.403 -4.824 -10.921 1.00 0.00 H new ATOM 0 HD21 ASN B 52 10.015 -5.051 -10.712 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.608 -5.568 -11.648 1.00 0.00 H new ATOM 1749 N ASP B 53 7.121 -4.856 -13.763 1.00 0.00 N ATOM 1750 CA ASP B 53 7.818 -5.581 -14.814 1.00 0.00 C ATOM 1751 C ASP B 53 7.891 -4.703 -16.061 1.00 0.00 C ATOM 1752 O ASP B 53 8.877 -4.723 -16.799 1.00 0.00 O ATOM 1753 CB ASP B 53 7.090 -6.898 -15.135 1.00 0.00 C ATOM 1754 CG ASP B 53 7.190 -7.897 -13.972 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.045 -7.725 -13.113 1.00 0.00 O ATOM 1756 OD2 ASP B 53 6.396 -8.823 -13.955 1.00 0.00 O ATOM 0 H ASP B 53 6.219 -5.252 -13.501 1.00 0.00 H new ATOM 0 HA ASP B 53 8.826 -5.823 -14.477 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.041 -6.692 -15.349 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.518 -7.341 -16.034 1.00 0.00 H new ATOM 1761 N ALA B 54 6.823 -3.930 -16.271 1.00 0.00 N ATOM 1762 CA ALA B 54 6.726 -3.027 -17.408 1.00 0.00 C ATOM 1763 C ALA B 54 7.760 -1.910 -17.296 1.00 0.00 C ATOM 1764 O ALA B 54 8.359 -1.503 -18.293 1.00 0.00 O ATOM 1765 CB ALA B 54 5.317 -2.433 -17.458 1.00 0.00 C ATOM 0 H ALA B 54 6.008 -3.916 -15.658 1.00 0.00 H new ATOM 0 HA ALA B 54 6.923 -3.584 -18.324 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.238 -1.755 -18.308 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.587 -3.236 -17.565 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.121 -1.884 -16.537 1.00 0.00 H new ATOM 1771 N GLN B 55 7.964 -1.426 -16.068 1.00 0.00 N ATOM 1772 CA GLN B 55 8.925 -0.360 -15.809 1.00 0.00 C ATOM 1773 C GLN B 55 10.296 -0.925 -15.440 1.00 0.00 C ATOM 1774 O GLN B 55 11.252 -0.171 -15.244 1.00 0.00 O ATOM 1775 CB GLN B 55 8.409 0.496 -14.669 1.00 0.00 C ATOM 1776 CG GLN B 55 7.116 1.199 -15.083 1.00 0.00 C ATOM 1777 CD GLN B 55 6.243 1.409 -13.857 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.884 2.538 -13.529 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.889 0.372 -13.151 1.00 0.00 N ATOM 0 H GLN B 55 7.473 -1.759 -15.238 1.00 0.00 H new ATOM 0 HA GLN B 55 9.038 0.235 -16.715 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.230 -0.124 -13.791 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.160 1.235 -14.390 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.343 2.157 -15.550 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.585 0.601 -15.824 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.191 -0.562 -13.430 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.310 0.494 -12.320 1.00 0.00 H new ATOM 1788 N ALA B 56 10.384 -2.253 -15.341 1.00 0.00 N ATOM 1789 CA ALA B 56 11.645 -2.909 -14.984 1.00 0.00 C ATOM 1790 C ALA B 56 12.680 -2.745 -16.085 1.00 0.00 C ATOM 1791 O ALA B 56 12.349 -2.381 -17.215 1.00 0.00 O ATOM 1792 CB ALA B 56 11.425 -4.400 -14.729 1.00 0.00 C ATOM 0 H ALA B 56 9.605 -2.891 -15.501 1.00 0.00 H new ATOM 0 HA ALA B 56 12.012 -2.433 -14.075 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.374 -4.868 -14.466 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.717 -4.529 -13.910 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.027 -4.868 -15.629 1.00 0.00 H new