USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 THR OG1 : rot 180:sc= -3 USER MOD Set 1.2: A 101 TYR OH : rot -149:sc= -1.64! USER MOD Set 1.3: A 108 ASN : amide:sc= -5.24! C(o=-9.9!,f=-16!) USER MOD Set 2.1: A 21 SER OG : rot 94:sc= 1.16 USER MOD Set 2.2: A 102 GLN : amide:sc= -0.41 K(o=0.75,f=-2.1!) USER MOD Set 3.1: A 6 ASN : amide:sc= -0.133 K(o=-2.4,f=-5.5!) USER MOD Set 3.2: A 7 THR OG1 : rot -63:sc= -2.3! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 170:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.68! C(o=-3.7!,f=-6.7!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 24 SER OG : rot -67:sc= 0.245 USER MOD Single : A 27 SER OG : rot -45:sc= 0.837 USER MOD Single : A 28 ASN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 29 THR OG1 : rot 67:sc= 0.507 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0638 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 36 GLN : amide:sc= -2.6! C(o=-2.6!,f=-3.3!) USER MOD Single : A 37 MET CE :methyl -148:sc= -2.69! (180deg=-6.13!) USER MOD Single : A 39 ASN : amide:sc= -0.0163 K(o=-0.016,f=-0.81) USER MOD Single : A 40 MET CE :methyl 164:sc= -2.38 (180deg=-3.44!) USER MOD Single : A 41 SER OG : rot -50:sc= 1.2 USER MOD Single : A 45 ASN : amide:sc= -0.0631 K(o=-0.063,f=-1.3) USER MOD Single : A 46 THR OG1 : rot -139:sc= -2.71! USER MOD Single : A 48 MET CE :methyl -145:sc= -6.13! (180deg=-9.5!) USER MOD Single : A 51 MET CE :methyl 180:sc= -0.41 (180deg=-0.41) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 68 MET CE :methyl -133:sc= 0 (180deg=-0.16) USER MOD Single : A 72 SER OG : rot -33:sc= 0.581 USER MOD Single : A 73 SER OG : rot 84:sc= 1.01 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -2.44 K(o=-2.4,f=-5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 89 THR OG1 : rot 92:sc= 0.0972 USER MOD Single : A 90 ASN : amide:sc=-0.00167 K(o=-0.0017,f=-1.1) USER MOD Single : A 98 SER OG : rot 83:sc= 0.253 USER MOD Single : A 103 THR OG1 : rot -75:sc= -2.11! USER MOD Single : A 104 THR OG1 : rot -80:sc= -2.92! USER MOD Single : A 109 SER OG : rot 180:sc= -0.116 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -37:sc= 0.765 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ASN A 6 -14.352 7.640 -5.110 1.00 0.00 N ATOM 62 CA ASN A 6 -14.493 9.088 -4.787 1.00 0.00 C ATOM 63 C ASN A 6 -13.858 9.368 -3.424 1.00 0.00 C ATOM 64 O ASN A 6 -14.204 10.315 -2.749 1.00 0.00 O ATOM 65 CB ASN A 6 -15.977 9.459 -4.744 1.00 0.00 C ATOM 66 CG ASN A 6 -16.624 8.833 -3.506 1.00 0.00 C ATOM 67 OD1 ASN A 6 -16.069 7.936 -2.905 1.00 0.00 O ATOM 68 ND2 ASN A 6 -17.784 9.270 -3.099 1.00 0.00 N ATOM 0 HA ASN A 6 -13.992 9.682 -5.551 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -16.091 10.543 -4.718 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -16.477 9.107 -5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -18.224 8.858 -2.276 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -18.251 10.024 -3.604 1.00 0.00 H new ATOM 75 N THR A 7 -12.927 8.548 -3.016 1.00 0.00 N ATOM 76 CA THR A 7 -12.267 8.764 -1.697 1.00 0.00 C ATOM 77 C THR A 7 -10.810 8.306 -1.779 1.00 0.00 C ATOM 78 O THR A 7 -10.475 7.407 -2.525 1.00 0.00 O ATOM 79 CB THR A 7 -12.992 7.948 -0.624 1.00 0.00 C ATOM 80 OG1 THR A 7 -13.999 7.154 -1.235 1.00 0.00 O ATOM 81 CG2 THR A 7 -13.632 8.891 0.395 1.00 0.00 C ATOM 0 H THR A 7 -12.595 7.738 -3.539 1.00 0.00 H new ATOM 0 HA THR A 7 -12.306 9.823 -1.440 1.00 0.00 H new ATOM 0 HB THR A 7 -12.277 7.301 -0.116 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.669 7.737 -1.649 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.147 8.307 1.158 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.858 9.499 0.864 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.347 9.541 -0.110 1.00 0.00 H new ATOM 89 N PRO A 8 -9.927 8.938 -0.991 1.00 0.00 N ATOM 90 CA PRO A 8 -8.503 8.592 -0.971 1.00 0.00 C ATOM 91 C PRO A 8 -8.262 7.246 -0.288 1.00 0.00 C ATOM 92 O PRO A 8 -7.393 6.488 -0.675 1.00 0.00 O ATOM 93 CB PRO A 8 -7.868 9.719 -0.159 1.00 0.00 C ATOM 94 CG PRO A 8 -8.969 10.234 0.704 1.00 0.00 C ATOM 95 CD PRO A 8 -10.250 10.034 -0.061 1.00 0.00 C ATOM 0 HA PRO A 8 -8.089 8.495 -1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.034 9.353 0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.475 10.502 -0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.998 9.700 1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.818 11.288 0.936 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.075 9.769 0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.545 10.938 -0.593 1.00 0.00 H new ATOM 103 N TRP A 9 -9.030 6.935 0.719 1.00 0.00 N ATOM 104 CA TRP A 9 -8.848 5.632 1.415 1.00 0.00 C ATOM 105 C TRP A 9 -9.688 4.571 0.711 1.00 0.00 C ATOM 106 O TRP A 9 -9.343 3.411 0.688 1.00 0.00 O ATOM 107 CB TRP A 9 -9.302 5.746 2.871 1.00 0.00 C ATOM 108 CG TRP A 9 -10.688 6.303 2.921 1.00 0.00 C ATOM 109 CD1 TRP A 9 -11.821 5.575 2.804 1.00 0.00 C ATOM 110 CD2 TRP A 9 -11.107 7.685 3.101 1.00 0.00 C ATOM 111 NE1 TRP A 9 -12.910 6.424 2.897 1.00 0.00 N ATOM 112 CE2 TRP A 9 -12.520 7.735 3.081 1.00 0.00 C ATOM 113 CE3 TRP A 9 -10.403 8.888 3.276 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -13.212 8.939 3.230 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -11.094 10.102 3.427 1.00 0.00 C ATOM 116 CH2 TRP A 9 -12.496 10.127 3.403 1.00 0.00 C ATOM 0 H TRP A 9 -9.774 7.526 1.089 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.794 5.355 1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.275 4.767 3.349 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -8.620 6.390 3.426 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -11.869 4.506 2.661 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -13.881 6.118 2.837 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -9.323 8.880 3.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -14.292 8.952 3.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -10.543 11.021 3.562 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -13.022 11.063 3.518 1.00 0.00 H new ATOM 127 N SER A 10 -10.793 4.965 0.138 1.00 0.00 N ATOM 128 CA SER A 10 -11.665 3.979 -0.562 1.00 0.00 C ATOM 129 C SER A 10 -10.855 3.235 -1.625 1.00 0.00 C ATOM 130 O SER A 10 -11.177 2.125 -1.998 1.00 0.00 O ATOM 131 CB SER A 10 -12.828 4.714 -1.231 1.00 0.00 C ATOM 132 OG SER A 10 -13.691 3.771 -1.850 1.00 0.00 O ATOM 0 H SER A 10 -11.130 5.928 0.124 1.00 0.00 H new ATOM 0 HA SER A 10 -12.052 3.263 0.162 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.378 5.296 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.449 5.418 -1.972 1.00 0.00 H new ATOM 0 HG SER A 10 -14.437 4.241 -2.277 1.00 0.00 H new ATOM 138 N SER A 11 -9.808 3.836 -2.120 1.00 0.00 N ATOM 139 CA SER A 11 -8.986 3.158 -3.160 1.00 0.00 C ATOM 140 C SER A 11 -7.597 2.857 -2.596 1.00 0.00 C ATOM 141 O SER A 11 -6.989 3.679 -1.941 1.00 0.00 O ATOM 142 CB SER A 11 -8.853 4.070 -4.380 1.00 0.00 C ATOM 143 OG SER A 11 -8.691 3.278 -5.547 1.00 0.00 O ATOM 0 H SER A 11 -9.487 4.766 -1.849 1.00 0.00 H new ATOM 0 HA SER A 11 -9.469 2.226 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.738 4.700 -4.475 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.999 4.736 -4.258 1.00 0.00 H new ATOM 0 HG SER A 11 -8.767 3.847 -6.341 1.00 0.00 H new ATOM 149 N LYS A 12 -7.088 1.683 -2.852 1.00 0.00 N ATOM 150 CA LYS A 12 -5.736 1.329 -2.336 1.00 0.00 C ATOM 151 C LYS A 12 -4.693 2.227 -2.999 1.00 0.00 C ATOM 152 O LYS A 12 -3.742 2.654 -2.376 1.00 0.00 O ATOM 153 CB LYS A 12 -5.437 -0.133 -2.666 1.00 0.00 C ATOM 154 CG LYS A 12 -4.485 -0.710 -1.618 1.00 0.00 C ATOM 155 CD LYS A 12 -4.013 -2.095 -2.065 1.00 0.00 C ATOM 156 CE LYS A 12 -3.137 -1.960 -3.312 1.00 0.00 C ATOM 157 NZ LYS A 12 -1.704 -2.121 -2.933 1.00 0.00 N ATOM 0 H LYS A 12 -7.550 0.954 -3.396 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.704 1.471 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.363 -0.708 -2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.992 -0.209 -3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.629 -0.048 -1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.988 -0.779 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.451 -2.575 -1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.872 -2.732 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.416 -2.713 -4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.294 -0.986 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.108 -2.029 -3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.442 -1.387 -2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.560 -3.060 -2.509 1.00 0.00 H new ATOM 171 N ALA A 13 -4.869 2.524 -4.256 1.00 0.00 N ATOM 172 CA ALA A 13 -3.891 3.405 -4.954 1.00 0.00 C ATOM 173 C ALA A 13 -4.036 4.827 -4.413 1.00 0.00 C ATOM 174 O ALA A 13 -3.066 5.503 -4.137 1.00 0.00 O ATOM 175 CB ALA A 13 -4.173 3.395 -6.457 1.00 0.00 C ATOM 0 H ALA A 13 -5.646 2.196 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.877 3.045 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.457 4.040 -6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.080 2.378 -6.838 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.184 3.760 -6.640 1.00 0.00 H new ATOM 181 N ASN A 14 -5.248 5.282 -4.255 1.00 0.00 N ATOM 182 CA ASN A 14 -5.468 6.655 -3.726 1.00 0.00 C ATOM 183 C ASN A 14 -5.112 6.690 -2.238 1.00 0.00 C ATOM 184 O ASN A 14 -4.714 7.710 -1.710 1.00 0.00 O ATOM 185 CB ASN A 14 -6.938 7.043 -3.907 1.00 0.00 C ATOM 186 CG ASN A 14 -7.343 6.842 -5.368 1.00 0.00 C ATOM 187 OD1 ASN A 14 -8.436 6.393 -5.651 1.00 0.00 O ATOM 188 ND2 ASN A 14 -6.503 7.160 -6.315 1.00 0.00 N ATOM 0 H ASN A 14 -6.097 4.760 -4.470 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.837 7.359 -4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.568 6.436 -3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.089 8.083 -3.616 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.764 7.032 -7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.585 7.537 -6.077 1.00 0.00 H new ATOM 195 N ALA A 15 -5.260 5.588 -1.552 1.00 0.00 N ATOM 196 CA ALA A 15 -4.938 5.570 -0.097 1.00 0.00 C ATOM 197 C ALA A 15 -3.444 5.818 0.116 1.00 0.00 C ATOM 198 O ALA A 15 -3.049 6.574 0.982 1.00 0.00 O ATOM 199 CB ALA A 15 -5.322 4.213 0.496 1.00 0.00 C ATOM 0 H ALA A 15 -5.589 4.702 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.502 6.359 0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.086 4.201 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.390 4.045 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.764 3.424 -0.008 1.00 0.00 H new ATOM 205 N ASP A 16 -2.606 5.186 -0.658 1.00 0.00 N ATOM 206 CA ASP A 16 -1.139 5.392 -0.486 1.00 0.00 C ATOM 207 C ASP A 16 -0.787 6.848 -0.799 1.00 0.00 C ATOM 208 O ASP A 16 -0.135 7.518 -0.023 1.00 0.00 O ATOM 209 CB ASP A 16 -0.367 4.457 -1.422 1.00 0.00 C ATOM 210 CG ASP A 16 -0.809 4.689 -2.868 1.00 0.00 C ATOM 211 OD1 ASP A 16 -0.367 5.663 -3.454 1.00 0.00 O ATOM 212 OD2 ASP A 16 -1.580 3.886 -3.365 1.00 0.00 O ATOM 0 H ASP A 16 -2.871 4.538 -1.400 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.863 5.167 0.544 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.704 4.635 -1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.544 3.419 -1.140 1.00 0.00 H new ATOM 217 N ALA A 17 -1.218 7.350 -1.926 1.00 0.00 N ATOM 218 CA ALA A 17 -0.909 8.764 -2.272 1.00 0.00 C ATOM 219 C ALA A 17 -1.543 9.680 -1.225 1.00 0.00 C ATOM 220 O ALA A 17 -1.018 10.725 -0.897 1.00 0.00 O ATOM 221 CB ALA A 17 -1.479 9.090 -3.654 1.00 0.00 C ATOM 0 H ALA A 17 -1.769 6.842 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 17 0.171 8.914 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.252 10.126 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.032 8.429 -4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.560 8.947 -3.645 1.00 0.00 H new ATOM 227 N PHE A 18 -2.669 9.289 -0.693 1.00 0.00 N ATOM 228 CA PHE A 18 -3.339 10.127 0.339 1.00 0.00 C ATOM 229 C PHE A 18 -2.517 10.079 1.628 1.00 0.00 C ATOM 230 O PHE A 18 -2.295 11.082 2.274 1.00 0.00 O ATOM 231 CB PHE A 18 -4.740 9.575 0.604 1.00 0.00 C ATOM 232 CG PHE A 18 -5.385 10.337 1.736 1.00 0.00 C ATOM 233 CD1 PHE A 18 -5.208 9.909 3.058 1.00 0.00 C ATOM 234 CD2 PHE A 18 -6.164 11.466 1.464 1.00 0.00 C ATOM 235 CE1 PHE A 18 -5.812 10.613 4.107 1.00 0.00 C ATOM 236 CE2 PHE A 18 -6.767 12.170 2.513 1.00 0.00 C ATOM 237 CZ PHE A 18 -6.591 11.743 3.834 1.00 0.00 C ATOM 0 H PHE A 18 -3.154 8.423 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.416 11.157 -0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.349 9.658 -0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.682 8.515 0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.606 9.037 3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.300 11.795 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.677 10.284 5.127 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.368 13.042 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.057 12.286 4.643 1.00 0.00 H new ATOM 247 N ILE A 19 -2.060 8.914 1.998 1.00 0.00 N ATOM 248 CA ILE A 19 -1.244 8.789 3.237 1.00 0.00 C ATOM 249 C ILE A 19 0.146 9.377 2.981 1.00 0.00 C ATOM 250 O ILE A 19 0.679 10.112 3.789 1.00 0.00 O ATOM 251 CB ILE A 19 -1.117 7.311 3.607 1.00 0.00 C ATOM 252 CG1 ILE A 19 -2.467 6.792 4.105 1.00 0.00 C ATOM 253 CG2 ILE A 19 -0.069 7.145 4.709 1.00 0.00 C ATOM 254 CD1 ILE A 19 -2.309 5.350 4.585 1.00 0.00 C ATOM 0 H ILE A 19 -2.218 8.042 1.494 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.722 9.328 4.055 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.810 6.744 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.833 7.420 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.206 6.842 3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.020 6.091 4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.894 7.513 4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.373 7.713 5.588 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.270 4.978 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.961 4.728 3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.583 5.314 5.397 1.00 0.00 H new ATOM 266 N ASN A 20 0.732 9.059 1.860 1.00 0.00 N ATOM 267 CA ASN A 20 2.085 9.597 1.542 1.00 0.00 C ATOM 268 C ASN A 20 1.984 11.107 1.309 1.00 0.00 C ATOM 269 O ASN A 20 2.718 11.883 1.886 1.00 0.00 O ATOM 270 CB ASN A 20 2.613 8.905 0.283 1.00 0.00 C ATOM 271 CG ASN A 20 3.743 9.728 -0.341 1.00 0.00 C ATOM 272 OD1 ASN A 20 4.662 10.137 0.341 1.00 0.00 O ATOM 273 ND2 ASN A 20 3.710 9.988 -1.619 1.00 0.00 N ATOM 0 H ASN A 20 0.331 8.448 1.148 1.00 0.00 H new ATOM 0 HA ASN A 20 2.769 9.409 2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.975 7.908 0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.805 8.779 -0.437 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.456 10.535 -2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.938 9.644 -2.190 1.00 0.00 H new ATOM 280 N SER A 21 1.076 11.528 0.475 1.00 0.00 N ATOM 281 CA SER A 21 0.925 12.987 0.218 1.00 0.00 C ATOM 282 C SER A 21 0.652 13.690 1.546 1.00 0.00 C ATOM 283 O SER A 21 1.007 14.835 1.742 1.00 0.00 O ATOM 284 CB SER A 21 -0.246 13.225 -0.738 1.00 0.00 C ATOM 285 OG SER A 21 0.060 12.672 -2.010 1.00 0.00 O ATOM 0 H SER A 21 0.433 10.926 -0.039 1.00 0.00 H new ATOM 0 HA SER A 21 1.836 13.380 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.152 12.769 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.441 14.293 -0.832 1.00 0.00 H new ATOM 0 HG SER A 21 -0.294 11.760 -2.064 1.00 0.00 H new ATOM 291 N PHE A 22 0.019 13.006 2.460 1.00 0.00 N ATOM 292 CA PHE A 22 -0.286 13.623 3.781 1.00 0.00 C ATOM 293 C PHE A 22 1.002 13.759 4.596 1.00 0.00 C ATOM 294 O PHE A 22 1.307 14.810 5.126 1.00 0.00 O ATOM 295 CB PHE A 22 -1.274 12.732 4.538 1.00 0.00 C ATOM 296 CG PHE A 22 -1.480 13.276 5.930 1.00 0.00 C ATOM 297 CD1 PHE A 22 -0.480 13.125 6.897 1.00 0.00 C ATOM 298 CD2 PHE A 22 -2.673 13.932 6.252 1.00 0.00 C ATOM 299 CE1 PHE A 22 -0.674 13.631 8.188 1.00 0.00 C ATOM 300 CE2 PHE A 22 -2.867 14.438 7.542 1.00 0.00 C ATOM 301 CZ PHE A 22 -1.866 14.287 8.510 1.00 0.00 C ATOM 0 H PHE A 22 -0.301 12.044 2.348 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.722 14.610 3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.225 12.693 4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.895 11.711 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.441 12.619 6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.444 14.048 5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.097 13.515 8.935 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.788 14.945 7.791 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.015 14.678 9.506 1.00 0.00 H new ATOM 311 N ILE A 23 1.761 12.704 4.704 1.00 0.00 N ATOM 312 CA ILE A 23 3.027 12.774 5.487 1.00 0.00 C ATOM 313 C ILE A 23 4.000 13.740 4.807 1.00 0.00 C ATOM 314 O ILE A 23 4.477 14.681 5.409 1.00 0.00 O ATOM 315 CB ILE A 23 3.660 11.383 5.554 1.00 0.00 C ATOM 316 CG1 ILE A 23 2.674 10.402 6.189 1.00 0.00 C ATOM 317 CG2 ILE A 23 4.935 11.443 6.396 1.00 0.00 C ATOM 318 CD1 ILE A 23 2.323 10.875 7.600 1.00 0.00 C ATOM 0 H ILE A 23 1.560 11.796 4.284 1.00 0.00 H new ATOM 0 HA ILE A 23 2.809 13.128 6.495 1.00 0.00 H new ATOM 0 HB ILE A 23 3.906 11.048 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.771 10.333 5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.110 9.404 6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.386 10.452 6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.639 12.141 5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.690 11.779 7.404 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.620 10.176 8.054 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.229 10.922 8.204 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.869 11.865 7.550 1.00 0.00 H new ATOM 330 N SER A 24 4.300 13.511 3.559 1.00 0.00 N ATOM 331 CA SER A 24 5.247 14.412 2.843 1.00 0.00 C ATOM 332 C SER A 24 4.774 15.864 2.959 1.00 0.00 C ATOM 333 O SER A 24 5.565 16.770 3.129 1.00 0.00 O ATOM 334 CB SER A 24 5.311 14.013 1.367 1.00 0.00 C ATOM 335 OG SER A 24 4.059 14.274 0.752 1.00 0.00 O ATOM 0 H SER A 24 3.931 12.739 3.004 1.00 0.00 H new ATOM 0 HA SER A 24 6.237 14.321 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.100 14.571 0.862 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.560 12.956 1.275 1.00 0.00 H new ATOM 0 HG SER A 24 3.381 13.669 1.120 1.00 0.00 H new ATOM 341 N ALA A 25 3.492 16.095 2.864 1.00 0.00 N ATOM 342 CA ALA A 25 2.981 17.493 2.964 1.00 0.00 C ATOM 343 C ALA A 25 2.960 17.934 4.429 1.00 0.00 C ATOM 344 O ALA A 25 3.394 19.017 4.766 1.00 0.00 O ATOM 345 CB ALA A 25 1.564 17.564 2.393 1.00 0.00 C ATOM 0 H ALA A 25 2.779 15.380 2.722 1.00 0.00 H new ATOM 0 HA ALA A 25 3.637 18.154 2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.193 18.586 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.577 17.258 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.911 16.899 2.957 1.00 0.00 H new ATOM 351 N ALA A 26 2.451 17.110 5.304 1.00 0.00 N ATOM 352 CA ALA A 26 2.397 17.494 6.744 1.00 0.00 C ATOM 353 C ALA A 26 3.812 17.778 7.256 1.00 0.00 C ATOM 354 O ALA A 26 4.019 18.649 8.077 1.00 0.00 O ATOM 355 CB ALA A 26 1.785 16.350 7.554 1.00 0.00 C ATOM 0 H ALA A 26 2.071 16.189 5.085 1.00 0.00 H new ATOM 0 HA ALA A 26 1.785 18.389 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.745 16.630 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.776 16.148 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.397 15.455 7.440 1.00 0.00 H new ATOM 361 N SER A 27 4.782 17.048 6.782 1.00 0.00 N ATOM 362 CA SER A 27 6.180 17.274 7.248 1.00 0.00 C ATOM 363 C SER A 27 6.648 18.672 6.836 1.00 0.00 C ATOM 364 O SER A 27 7.487 19.269 7.481 1.00 0.00 O ATOM 365 CB SER A 27 7.099 16.226 6.616 1.00 0.00 C ATOM 366 OG SER A 27 7.190 16.458 5.218 1.00 0.00 O ATOM 0 H SER A 27 4.668 16.305 6.093 1.00 0.00 H new ATOM 0 HA SER A 27 6.214 17.190 8.334 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.089 16.275 7.069 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.711 15.225 6.805 1.00 0.00 H new ATOM 0 HG SER A 27 6.296 16.629 4.856 1.00 0.00 H new ATOM 372 N ASN A 28 6.123 19.195 5.762 1.00 0.00 N ATOM 373 CA ASN A 28 6.550 20.549 5.309 1.00 0.00 C ATOM 374 C ASN A 28 5.454 21.575 5.612 1.00 0.00 C ATOM 375 O ASN A 28 5.538 22.718 5.208 1.00 0.00 O ATOM 376 CB ASN A 28 6.814 20.518 3.802 1.00 0.00 C ATOM 377 CG ASN A 28 7.891 19.476 3.494 1.00 0.00 C ATOM 378 OD1 ASN A 28 7.785 18.743 2.531 1.00 0.00 O ATOM 379 ND2 ASN A 28 8.931 19.377 4.277 1.00 0.00 N ATOM 0 H ASN A 28 5.418 18.744 5.179 1.00 0.00 H new ATOM 0 HA ASN A 28 7.459 20.833 5.838 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.896 20.277 3.266 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.135 21.501 3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.654 18.685 4.080 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.021 19.992 5.086 1.00 0.00 H new ATOM 386 N THR A 29 4.424 21.182 6.311 1.00 0.00 N ATOM 387 CA THR A 29 3.331 22.147 6.621 1.00 0.00 C ATOM 388 C THR A 29 3.602 22.833 7.962 1.00 0.00 C ATOM 389 O THR A 29 4.020 23.972 8.012 1.00 0.00 O ATOM 390 CB THR A 29 1.993 21.404 6.688 1.00 0.00 C ATOM 391 OG1 THR A 29 1.847 20.594 5.533 1.00 0.00 O ATOM 392 CG2 THR A 29 0.851 22.418 6.756 1.00 0.00 C ATOM 0 H THR A 29 4.292 20.240 6.679 1.00 0.00 H new ATOM 0 HA THR A 29 3.290 22.902 5.836 1.00 0.00 H new ATOM 0 HB THR A 29 1.967 20.774 7.577 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.512 19.874 5.552 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.102 21.890 6.804 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.967 23.038 7.645 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.872 23.050 5.868 1.00 0.00 H new ATOM 400 N GLY A 30 3.363 22.154 9.051 1.00 0.00 N ATOM 401 CA GLY A 30 3.603 22.777 10.381 1.00 0.00 C ATOM 402 C GLY A 30 5.083 22.658 10.741 1.00 0.00 C ATOM 403 O GLY A 30 5.919 23.366 10.216 1.00 0.00 O ATOM 0 H GLY A 30 3.013 21.196 9.076 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.306 23.826 10.362 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.993 22.286 11.139 1.00 0.00 H new ATOM 407 N SER A 31 5.414 21.767 11.632 1.00 0.00 N ATOM 408 CA SER A 31 6.840 21.601 12.026 1.00 0.00 C ATOM 409 C SER A 31 7.205 20.116 11.994 1.00 0.00 C ATOM 410 O SER A 31 8.079 19.700 11.260 1.00 0.00 O ATOM 411 CB SER A 31 7.046 22.147 13.440 1.00 0.00 C ATOM 412 OG SER A 31 8.238 22.916 13.481 1.00 0.00 O ATOM 0 H SER A 31 4.758 21.146 12.105 1.00 0.00 H new ATOM 0 HA SER A 31 7.476 22.148 11.330 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.194 22.761 13.732 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.106 21.325 14.154 1.00 0.00 H new ATOM 0 HG SER A 31 8.370 23.267 14.386 1.00 0.00 H new ATOM 418 N PHE A 32 6.541 19.314 12.782 1.00 0.00 N ATOM 419 CA PHE A 32 6.851 17.858 12.793 1.00 0.00 C ATOM 420 C PHE A 32 8.370 17.665 12.791 1.00 0.00 C ATOM 421 O PHE A 32 8.991 17.561 11.752 1.00 0.00 O ATOM 422 CB PHE A 32 6.247 17.200 11.551 1.00 0.00 C ATOM 423 CG PHE A 32 4.787 16.897 11.797 1.00 0.00 C ATOM 424 CD1 PHE A 32 4.411 16.122 12.902 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.809 17.384 10.919 1.00 0.00 C ATOM 426 CE1 PHE A 32 3.061 15.836 13.130 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.458 17.097 11.148 1.00 0.00 C ATOM 428 CZ PHE A 32 2.084 16.323 12.253 1.00 0.00 C ATOM 0 H PHE A 32 5.798 19.605 13.418 1.00 0.00 H new ATOM 0 HA PHE A 32 6.428 17.399 13.686 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.352 17.860 10.690 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.785 16.282 11.316 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.164 15.745 13.578 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.098 17.980 10.066 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.772 15.239 13.983 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.704 17.473 10.472 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.042 16.101 12.429 1.00 0.00 H new ATOM 438 N SER A 33 8.974 17.622 13.947 1.00 0.00 N ATOM 439 CA SER A 33 10.453 17.444 14.012 1.00 0.00 C ATOM 440 C SER A 33 10.842 16.126 13.340 1.00 0.00 C ATOM 441 O SER A 33 10.019 15.257 13.130 1.00 0.00 O ATOM 442 CB SER A 33 10.899 17.420 15.475 1.00 0.00 C ATOM 443 OG SER A 33 12.312 17.287 15.534 1.00 0.00 O ATOM 0 H SER A 33 8.507 17.702 14.850 1.00 0.00 H new ATOM 0 HA SER A 33 10.940 18.271 13.495 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.587 18.336 15.977 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.422 16.591 15.999 1.00 0.00 H new ATOM 0 HG SER A 33 12.600 17.273 16.470 1.00 0.00 H new ATOM 449 N GLN A 34 12.094 15.971 13.001 1.00 0.00 N ATOM 450 CA GLN A 34 12.536 14.709 12.344 1.00 0.00 C ATOM 451 C GLN A 34 12.089 13.514 13.188 1.00 0.00 C ATOM 452 O GLN A 34 11.666 12.499 12.671 1.00 0.00 O ATOM 453 CB GLN A 34 14.061 14.705 12.223 1.00 0.00 C ATOM 454 CG GLN A 34 14.502 15.835 11.289 1.00 0.00 C ATOM 455 CD GLN A 34 16.028 15.835 11.174 1.00 0.00 C ATOM 456 OE1 GLN A 34 16.710 15.251 11.993 1.00 0.00 O ATOM 457 NE2 GLN A 34 16.596 16.472 10.187 1.00 0.00 N ATOM 0 H GLN A 34 12.828 16.663 13.151 1.00 0.00 H new ATOM 0 HA GLN A 34 12.092 14.640 11.351 1.00 0.00 H new ATOM 0 HB2 GLN A 34 14.515 14.833 13.206 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.403 13.745 11.837 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.052 15.704 10.305 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.155 16.795 11.673 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.024 16.962 9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 34 17.612 16.480 10.103 1.00 0.00 H new ATOM 466 N ASP A 35 12.174 13.628 14.486 1.00 0.00 N ATOM 467 CA ASP A 35 11.751 12.500 15.361 1.00 0.00 C ATOM 468 C ASP A 35 10.258 12.233 15.155 1.00 0.00 C ATOM 469 O ASP A 35 9.810 11.103 15.184 1.00 0.00 O ATOM 470 CB ASP A 35 12.006 12.866 16.825 1.00 0.00 C ATOM 471 CG ASP A 35 13.513 12.892 17.090 1.00 0.00 C ATOM 472 OD1 ASP A 35 14.254 12.461 16.222 1.00 0.00 O ATOM 473 OD2 ASP A 35 13.898 13.342 18.157 1.00 0.00 O ATOM 0 H ASP A 35 12.518 14.453 14.977 1.00 0.00 H new ATOM 0 HA ASP A 35 12.321 11.607 15.106 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.570 13.840 17.049 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.523 12.142 17.481 1.00 0.00 H new ATOM 478 N GLN A 36 9.486 13.264 14.943 1.00 0.00 N ATOM 479 CA GLN A 36 8.024 13.069 14.732 1.00 0.00 C ATOM 480 C GLN A 36 7.790 12.481 13.341 1.00 0.00 C ATOM 481 O GLN A 36 6.868 11.719 13.124 1.00 0.00 O ATOM 482 CB GLN A 36 7.307 14.416 14.847 1.00 0.00 C ATOM 483 CG GLN A 36 7.675 15.074 16.178 1.00 0.00 C ATOM 484 CD GLN A 36 7.169 14.206 17.332 1.00 0.00 C ATOM 485 OE1 GLN A 36 6.028 13.788 17.338 1.00 0.00 O ATOM 486 NE2 GLN A 36 7.975 13.916 18.316 1.00 0.00 N ATOM 0 H GLN A 36 9.805 14.232 14.907 1.00 0.00 H new ATOM 0 HA GLN A 36 7.633 12.387 15.487 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.591 15.064 14.018 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.228 14.273 14.785 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.756 15.198 16.248 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.236 16.070 16.238 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.933 14.267 18.311 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.647 13.338 19.090 1.00 0.00 H new ATOM 495 N MET A 37 8.621 12.825 12.395 1.00 0.00 N ATOM 496 CA MET A 37 8.449 12.280 11.020 1.00 0.00 C ATOM 497 C MET A 37 8.636 10.764 11.056 1.00 0.00 C ATOM 498 O MET A 37 7.968 10.029 10.357 1.00 0.00 O ATOM 499 CB MET A 37 9.491 12.903 10.089 1.00 0.00 C ATOM 500 CG MET A 37 9.186 14.391 9.904 1.00 0.00 C ATOM 501 SD MET A 37 10.309 15.087 8.668 1.00 0.00 S ATOM 502 CE MET A 37 9.669 16.779 8.705 1.00 0.00 C ATOM 0 H MET A 37 9.411 13.459 12.515 1.00 0.00 H new ATOM 0 HA MET A 37 7.451 12.518 10.652 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.490 12.775 10.506 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.481 12.396 9.124 1.00 0.00 H new ATOM 0 HG2 MET A 37 8.152 14.525 9.587 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.300 14.917 10.852 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.770 17.228 7.717 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.617 16.764 8.991 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.234 17.366 9.429 1.00 0.00 H new ATOM 512 N GLU A 38 9.538 10.290 11.872 1.00 0.00 N ATOM 513 CA GLU A 38 9.764 8.820 11.959 1.00 0.00 C ATOM 514 C GLU A 38 8.457 8.136 12.361 1.00 0.00 C ATOM 515 O GLU A 38 8.049 7.159 11.766 1.00 0.00 O ATOM 516 CB GLU A 38 10.839 8.530 13.008 1.00 0.00 C ATOM 517 CG GLU A 38 11.241 7.056 12.934 1.00 0.00 C ATOM 518 CD GLU A 38 12.330 6.773 13.971 1.00 0.00 C ATOM 519 OE1 GLU A 38 12.727 7.703 14.652 1.00 0.00 O ATOM 520 OE2 GLU A 38 12.747 5.630 14.065 1.00 0.00 O ATOM 0 H GLU A 38 10.127 10.857 12.481 1.00 0.00 H new ATOM 0 HA GLU A 38 10.094 8.440 10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.709 9.164 12.837 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.463 8.766 14.004 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.374 6.422 13.119 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.604 6.817 11.935 1.00 0.00 H new ATOM 527 N ASN A 39 7.796 8.645 13.364 1.00 0.00 N ATOM 528 CA ASN A 39 6.513 8.028 13.797 1.00 0.00 C ATOM 529 C ASN A 39 5.557 7.980 12.609 1.00 0.00 C ATOM 530 O ASN A 39 4.916 6.980 12.351 1.00 0.00 O ATOM 531 CB ASN A 39 5.895 8.863 14.919 1.00 0.00 C ATOM 532 CG ASN A 39 6.837 8.874 16.125 1.00 0.00 C ATOM 533 OD1 ASN A 39 7.478 7.885 16.420 1.00 0.00 O ATOM 534 ND2 ASN A 39 6.950 9.961 16.840 1.00 0.00 N ATOM 0 H ASN A 39 8.089 9.461 13.901 1.00 0.00 H new ATOM 0 HA ASN A 39 6.696 7.018 14.162 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.718 9.881 14.573 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.927 8.450 15.204 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.576 9.979 17.645 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.412 10.792 16.593 1.00 0.00 H new ATOM 541 N MET A 40 5.462 9.054 11.877 1.00 0.00 N ATOM 542 CA MET A 40 4.555 9.074 10.696 1.00 0.00 C ATOM 543 C MET A 40 4.951 7.941 9.751 1.00 0.00 C ATOM 544 O MET A 40 4.121 7.347 9.093 1.00 0.00 O ATOM 545 CB MET A 40 4.685 10.414 9.971 1.00 0.00 C ATOM 546 CG MET A 40 4.221 11.541 10.896 1.00 0.00 C ATOM 547 SD MET A 40 3.745 12.978 9.904 1.00 0.00 S ATOM 548 CE MET A 40 5.405 13.426 9.339 1.00 0.00 C ATOM 0 H MET A 40 5.974 9.920 12.046 1.00 0.00 H new ATOM 0 HA MET A 40 3.523 8.943 11.021 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.720 10.578 9.671 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.086 10.407 9.060 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.377 11.207 11.499 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.020 11.811 11.587 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.329 14.108 8.492 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.946 13.913 10.150 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.940 12.527 9.034 1.00 0.00 H new ATOM 558 N SER A 41 6.215 7.637 9.683 1.00 0.00 N ATOM 559 CA SER A 41 6.674 6.539 8.787 1.00 0.00 C ATOM 560 C SER A 41 6.214 5.195 9.357 1.00 0.00 C ATOM 561 O SER A 41 6.083 4.220 8.643 1.00 0.00 O ATOM 562 CB SER A 41 8.201 6.561 8.696 1.00 0.00 C ATOM 563 OG SER A 41 8.752 5.862 9.802 1.00 0.00 O ATOM 0 H SER A 41 6.953 8.102 10.211 1.00 0.00 H new ATOM 0 HA SER A 41 6.250 6.677 7.792 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.527 6.101 7.763 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.560 7.590 8.687 1.00 0.00 H new ATOM 0 HG SER A 41 8.350 6.193 10.632 1.00 0.00 H new ATOM 569 N LEU A 42 5.972 5.134 10.639 1.00 0.00 N ATOM 570 CA LEU A 42 5.527 3.852 11.253 1.00 0.00 C ATOM 571 C LEU A 42 4.005 3.744 11.157 1.00 0.00 C ATOM 572 O LEU A 42 3.442 2.669 11.227 1.00 0.00 O ATOM 573 CB LEU A 42 5.948 3.818 12.724 1.00 0.00 C ATOM 574 CG LEU A 42 7.446 4.107 12.832 1.00 0.00 C ATOM 575 CD1 LEU A 42 7.861 4.101 14.305 1.00 0.00 C ATOM 576 CD2 LEU A 42 8.228 3.030 12.077 1.00 0.00 C ATOM 0 H LEU A 42 6.063 5.917 11.287 1.00 0.00 H new ATOM 0 HA LEU A 42 5.986 3.017 10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.382 4.556 13.292 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.723 2.843 13.155 1.00 0.00 H new ATOM 0 HG LEU A 42 7.661 5.084 12.398 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.929 4.307 14.383 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.303 4.867 14.843 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.647 3.124 14.739 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.296 3.235 12.153 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.014 2.053 12.511 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.932 3.033 11.028 1.00 0.00 H new ATOM 588 N ILE A 43 3.335 4.850 10.996 1.00 0.00 N ATOM 589 CA ILE A 43 1.850 4.815 10.894 1.00 0.00 C ATOM 590 C ILE A 43 1.421 5.437 9.563 1.00 0.00 C ATOM 591 O ILE A 43 2.019 6.377 9.084 1.00 0.00 O ATOM 592 CB ILE A 43 1.247 5.606 12.059 1.00 0.00 C ATOM 593 CG1 ILE A 43 1.534 4.876 13.373 1.00 0.00 C ATOM 594 CG2 ILE A 43 -0.267 5.734 11.871 1.00 0.00 C ATOM 595 CD1 ILE A 43 1.100 5.753 14.548 1.00 0.00 C ATOM 0 H ILE A 43 3.752 5.778 10.931 1.00 0.00 H new ATOM 0 HA ILE A 43 1.498 3.784 10.938 1.00 0.00 H new ATOM 0 HB ILE A 43 1.693 6.600 12.086 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.000 3.926 13.398 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.597 4.647 13.450 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.691 6.297 12.702 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.475 6.255 10.936 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.715 4.741 11.840 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.304 5.234 15.484 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.654 6.692 14.525 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.032 5.960 14.473 1.00 0.00 H new ATOM 607 N GLY A 44 0.393 4.911 8.958 1.00 0.00 N ATOM 608 CA GLY A 44 -0.063 5.465 7.654 1.00 0.00 C ATOM 609 C GLY A 44 0.494 4.591 6.533 1.00 0.00 C ATOM 610 O GLY A 44 -0.133 3.642 6.106 1.00 0.00 O ATOM 0 H GLY A 44 -0.150 4.123 9.310 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.152 5.486 7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.280 6.493 7.539 1.00 0.00 H new ATOM 614 N ASN A 45 1.675 4.886 6.064 1.00 0.00 N ATOM 615 CA ASN A 45 2.267 4.051 4.988 1.00 0.00 C ATOM 616 C ASN A 45 2.391 2.619 5.506 1.00 0.00 C ATOM 617 O ASN A 45 2.262 1.663 4.767 1.00 0.00 O ATOM 618 CB ASN A 45 3.651 4.587 4.618 1.00 0.00 C ATOM 619 CG ASN A 45 3.503 5.948 3.935 1.00 0.00 C ATOM 620 OD1 ASN A 45 2.608 6.148 3.138 1.00 0.00 O ATOM 621 ND2 ASN A 45 4.350 6.900 4.214 1.00 0.00 N ATOM 0 H ASN A 45 2.252 5.666 6.379 1.00 0.00 H new ATOM 0 HA ASN A 45 1.633 4.078 4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.267 4.682 5.512 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.158 3.888 3.954 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.260 7.811 3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.102 6.734 4.883 1.00 0.00 H new ATOM 628 N THR A 46 2.625 2.468 6.781 1.00 0.00 N ATOM 629 CA THR A 46 2.741 1.104 7.364 1.00 0.00 C ATOM 630 C THR A 46 1.436 0.351 7.109 1.00 0.00 C ATOM 631 O THR A 46 1.426 -0.843 6.882 1.00 0.00 O ATOM 632 CB THR A 46 2.983 1.212 8.871 1.00 0.00 C ATOM 633 OG1 THR A 46 4.154 1.981 9.108 1.00 0.00 O ATOM 634 CG2 THR A 46 3.161 -0.188 9.463 1.00 0.00 C ATOM 0 H THR A 46 2.741 3.234 7.445 1.00 0.00 H new ATOM 0 HA THR A 46 3.574 0.572 6.905 1.00 0.00 H new ATOM 0 HB THR A 46 2.128 1.697 9.342 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.672 1.573 9.833 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.333 -0.110 10.536 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.262 -0.777 9.282 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.015 -0.676 8.993 1.00 0.00 H new ATOM 642 N LEU A 47 0.335 1.050 7.142 1.00 0.00 N ATOM 643 CA LEU A 47 -0.980 0.394 6.901 1.00 0.00 C ATOM 644 C LEU A 47 -1.042 -0.112 5.458 1.00 0.00 C ATOM 645 O LEU A 47 -1.541 -1.186 5.189 1.00 0.00 O ATOM 646 CB LEU A 47 -2.098 1.414 7.128 1.00 0.00 C ATOM 647 CG LEU A 47 -2.057 1.900 8.579 1.00 0.00 C ATOM 648 CD1 LEU A 47 -3.238 2.838 8.834 1.00 0.00 C ATOM 649 CD2 LEU A 47 -2.145 0.699 9.522 1.00 0.00 C ATOM 0 H LEU A 47 0.290 2.052 7.326 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.101 -0.446 7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.980 2.257 6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.066 0.963 6.911 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.124 2.433 8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.211 3.185 9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.175 3.694 8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.172 2.304 8.655 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.116 1.045 10.555 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.078 0.165 9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.304 0.030 9.339 1.00 0.00 H new ATOM 661 N MET A 48 -0.538 0.653 4.529 1.00 0.00 N ATOM 662 CA MET A 48 -0.571 0.213 3.105 1.00 0.00 C ATOM 663 C MET A 48 0.038 -1.185 2.995 1.00 0.00 C ATOM 664 O MET A 48 -0.390 -1.997 2.198 1.00 0.00 O ATOM 665 CB MET A 48 0.234 1.192 2.249 1.00 0.00 C ATOM 666 CG MET A 48 -0.414 2.576 2.309 1.00 0.00 C ATOM 667 SD MET A 48 -2.141 2.457 1.777 1.00 0.00 S ATOM 668 CE MET A 48 -1.825 1.764 0.135 1.00 0.00 C ATOM 0 H MET A 48 -0.106 1.562 4.694 1.00 0.00 H new ATOM 0 HA MET A 48 -1.602 0.190 2.753 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.262 1.244 2.607 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.274 0.842 1.218 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.361 2.970 3.324 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.128 3.271 1.668 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.558 2.154 -0.572 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.823 2.042 -0.191 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.904 0.678 0.177 1.00 0.00 H new ATOM 678 N ALA A 49 1.031 -1.475 3.789 1.00 0.00 N ATOM 679 CA ALA A 49 1.660 -2.824 3.729 1.00 0.00 C ATOM 680 C ALA A 49 0.615 -3.881 4.085 1.00 0.00 C ATOM 681 O ALA A 49 0.645 -4.991 3.590 1.00 0.00 O ATOM 682 CB ALA A 49 2.818 -2.893 4.727 1.00 0.00 C ATOM 0 H ALA A 49 1.434 -0.837 4.476 1.00 0.00 H new ATOM 0 HA ALA A 49 2.039 -3.008 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.278 -3.880 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.560 -2.135 4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.442 -2.713 5.734 1.00 0.00 H new ATOM 688 N ALA A 50 -0.314 -3.544 4.938 1.00 0.00 N ATOM 689 CA ALA A 50 -1.365 -4.527 5.322 1.00 0.00 C ATOM 690 C ALA A 50 -2.271 -4.791 4.119 1.00 0.00 C ATOM 691 O ALA A 50 -2.731 -5.895 3.905 1.00 0.00 O ATOM 692 CB ALA A 50 -2.197 -3.961 6.474 1.00 0.00 C ATOM 0 H ALA A 50 -0.390 -2.630 5.385 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.897 -5.459 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.966 -4.680 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.550 -3.769 7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.669 -3.030 6.159 1.00 0.00 H new ATOM 698 N MET A 51 -2.528 -3.785 3.330 1.00 0.00 N ATOM 699 CA MET A 51 -3.401 -3.977 2.138 1.00 0.00 C ATOM 700 C MET A 51 -2.771 -5.022 1.216 1.00 0.00 C ATOM 701 O MET A 51 -3.456 -5.736 0.511 1.00 0.00 O ATOM 702 CB MET A 51 -3.543 -2.651 1.389 1.00 0.00 C ATOM 703 CG MET A 51 -4.106 -1.589 2.337 1.00 0.00 C ATOM 704 SD MET A 51 -4.081 0.025 1.519 1.00 0.00 S ATOM 705 CE MET A 51 -4.879 0.965 2.843 1.00 0.00 C ATOM 0 H MET A 51 -2.171 -2.838 3.459 1.00 0.00 H new ATOM 0 HA MET A 51 -4.386 -4.317 2.456 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.574 -2.333 1.003 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.203 -2.775 0.530 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.125 -1.847 2.625 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.515 -1.554 3.252 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.967 2.010 2.545 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.872 0.556 3.032 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.279 0.896 3.751 1.00 0.00 H new ATOM 876 N LEU A 63 -11.450 -0.565 4.225 1.00 0.00 N ATOM 877 CA LEU A 63 -10.765 0.757 4.272 1.00 0.00 C ATOM 878 C LEU A 63 -11.541 1.699 5.190 1.00 0.00 C ATOM 879 O LEU A 63 -10.971 2.440 5.963 1.00 0.00 O ATOM 880 CB LEU A 63 -10.717 1.347 2.863 1.00 0.00 C ATOM 881 CG LEU A 63 -9.498 0.811 2.102 1.00 0.00 C ATOM 882 CD1 LEU A 63 -9.227 -0.653 2.475 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.780 0.901 0.606 1.00 0.00 C ATOM 0 HA LEU A 63 -9.752 0.632 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.630 1.094 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.670 2.435 2.918 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.623 1.405 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.358 -1.014 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.034 -0.726 3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.096 -1.260 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.922 0.523 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.660 0.304 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.961 1.940 0.332 1.00 0.00 H new ATOM 895 N GLN A 64 -12.839 1.674 5.110 1.00 0.00 N ATOM 896 CA GLN A 64 -13.651 2.569 5.981 1.00 0.00 C ATOM 897 C GLN A 64 -13.250 2.345 7.440 1.00 0.00 C ATOM 898 O GLN A 64 -13.222 3.261 8.235 1.00 0.00 O ATOM 899 CB GLN A 64 -15.136 2.241 5.803 1.00 0.00 C ATOM 900 CG GLN A 64 -15.980 3.238 6.600 1.00 0.00 C ATOM 901 CD GLN A 64 -17.461 2.884 6.449 1.00 0.00 C ATOM 902 OE1 GLN A 64 -17.812 1.997 5.695 1.00 0.00 O ATOM 903 NE2 GLN A 64 -18.351 3.543 7.139 1.00 0.00 N ATOM 0 H GLN A 64 -13.374 1.075 4.481 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.475 3.609 5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.404 2.284 4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.338 1.225 6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -15.694 3.214 7.652 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.799 4.252 6.243 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -18.057 4.287 7.772 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -19.341 3.314 7.046 1.00 0.00 H new ATOM 912 N ALA A 65 -12.936 1.131 7.796 1.00 0.00 N ATOM 913 CA ALA A 65 -12.528 0.852 9.201 1.00 0.00 C ATOM 914 C ALA A 65 -11.114 1.389 9.444 1.00 0.00 C ATOM 915 O ALA A 65 -10.865 2.104 10.394 1.00 0.00 O ATOM 916 CB ALA A 65 -12.548 -0.658 9.447 1.00 0.00 C ATOM 0 H ALA A 65 -12.944 0.321 7.176 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.223 1.343 9.883 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.249 -0.863 10.475 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.554 -1.041 9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.854 -1.147 8.763 1.00 0.00 H new ATOM 922 N LEU A 66 -10.181 1.033 8.599 1.00 0.00 N ATOM 923 CA LEU A 66 -8.777 1.506 8.789 1.00 0.00 C ATOM 924 C LEU A 66 -8.638 2.984 8.402 1.00 0.00 C ATOM 925 O LEU A 66 -8.041 3.762 9.119 1.00 0.00 O ATOM 926 CB LEU A 66 -7.820 0.663 7.937 1.00 0.00 C ATOM 927 CG LEU A 66 -8.381 0.489 6.524 1.00 0.00 C ATOM 928 CD1 LEU A 66 -7.428 1.130 5.513 1.00 0.00 C ATOM 929 CD2 LEU A 66 -8.521 -1.003 6.214 1.00 0.00 C ATOM 0 H LEU A 66 -10.331 0.435 7.786 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.523 1.397 9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.843 1.144 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.673 -0.313 8.400 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.357 0.970 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.828 1.006 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.324 2.192 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.452 0.649 5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.921 -1.130 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.544 -1.481 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.199 -1.462 6.934 1.00 0.00 H new ATOM 941 N ASP A 67 -9.167 3.386 7.275 1.00 0.00 N ATOM 942 CA ASP A 67 -9.031 4.813 6.869 1.00 0.00 C ATOM 943 C ASP A 67 -9.393 5.725 8.047 1.00 0.00 C ATOM 944 O ASP A 67 -8.882 6.819 8.176 1.00 0.00 O ATOM 945 CB ASP A 67 -9.955 5.102 5.678 1.00 0.00 C ATOM 946 CG ASP A 67 -11.392 5.317 6.162 1.00 0.00 C ATOM 947 OD1 ASP A 67 -11.777 4.666 7.116 1.00 0.00 O ATOM 948 OD2 ASP A 67 -12.079 6.132 5.569 1.00 0.00 O ATOM 0 H ASP A 67 -9.682 2.793 6.625 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.999 5.007 6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.607 5.987 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.922 4.271 4.973 1.00 0.00 H new ATOM 953 N MET A 68 -10.269 5.282 8.909 1.00 0.00 N ATOM 954 CA MET A 68 -10.658 6.125 10.076 1.00 0.00 C ATOM 955 C MET A 68 -9.511 6.165 11.089 1.00 0.00 C ATOM 956 O MET A 68 -9.268 7.168 11.728 1.00 0.00 O ATOM 957 CB MET A 68 -11.904 5.534 10.740 1.00 0.00 C ATOM 958 CG MET A 68 -13.134 5.844 9.885 1.00 0.00 C ATOM 959 SD MET A 68 -14.633 5.430 10.812 1.00 0.00 S ATOM 960 CE MET A 68 -14.723 6.953 11.785 1.00 0.00 C ATOM 0 H MET A 68 -10.731 4.374 8.855 1.00 0.00 H new ATOM 0 HA MET A 68 -10.873 7.137 9.734 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.791 4.456 10.856 1.00 0.00 H new ATOM 0 HB3 MET A 68 -12.029 5.950 11.740 1.00 0.00 H new ATOM 0 HG2 MET A 68 -13.143 6.899 9.611 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.098 5.273 8.957 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.902 6.706 12.832 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.783 7.498 11.696 1.00 0.00 H new ATOM 0 HE3 MET A 68 -15.538 7.574 11.414 1.00 0.00 H new ATOM 970 N ALA A 69 -8.807 5.076 11.246 1.00 0.00 N ATOM 971 CA ALA A 69 -7.681 5.046 12.223 1.00 0.00 C ATOM 972 C ALA A 69 -6.542 5.944 11.730 1.00 0.00 C ATOM 973 O ALA A 69 -5.848 6.564 12.512 1.00 0.00 O ATOM 974 CB ALA A 69 -7.169 3.612 12.367 1.00 0.00 C ATOM 0 H ALA A 69 -8.964 4.205 10.739 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.034 5.408 13.188 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.346 3.590 13.081 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.976 2.972 12.723 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.820 3.251 11.399 1.00 0.00 H new ATOM 980 N PHE A 70 -6.342 6.015 10.443 1.00 0.00 N ATOM 981 CA PHE A 70 -5.243 6.867 9.907 1.00 0.00 C ATOM 982 C PHE A 70 -5.362 8.284 10.476 1.00 0.00 C ATOM 983 O PHE A 70 -4.375 8.931 10.763 1.00 0.00 O ATOM 984 CB PHE A 70 -5.343 6.923 8.381 1.00 0.00 C ATOM 985 CG PHE A 70 -4.264 7.832 7.839 1.00 0.00 C ATOM 986 CD1 PHE A 70 -3.010 7.308 7.510 1.00 0.00 C ATOM 987 CD2 PHE A 70 -4.520 9.197 7.666 1.00 0.00 C ATOM 988 CE1 PHE A 70 -2.008 8.148 7.009 1.00 0.00 C ATOM 989 CE2 PHE A 70 -3.518 10.038 7.166 1.00 0.00 C ATOM 990 CZ PHE A 70 -2.263 9.513 6.838 1.00 0.00 C ATOM 0 H PHE A 70 -6.891 5.521 9.740 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.282 6.441 10.197 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.235 5.923 7.962 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.326 7.289 8.083 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.814 6.254 7.642 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.489 9.601 7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.040 7.743 6.755 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.714 11.092 7.034 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.491 10.162 6.453 1.00 0.00 H new ATOM 1000 N ALA A 71 -6.561 8.772 10.637 1.00 0.00 N ATOM 1001 CA ALA A 71 -6.738 10.147 11.183 1.00 0.00 C ATOM 1002 C ALA A 71 -6.358 10.171 12.667 1.00 0.00 C ATOM 1003 O ALA A 71 -5.632 11.035 13.118 1.00 0.00 O ATOM 1004 CB ALA A 71 -8.200 10.571 11.025 1.00 0.00 C ATOM 0 H ALA A 71 -7.425 8.278 10.414 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.094 10.836 10.637 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.332 11.577 11.424 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.470 10.561 9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.841 9.878 11.570 1.00 0.00 H new ATOM 1010 N SER A 72 -6.852 9.236 13.432 1.00 0.00 N ATOM 1011 CA SER A 72 -6.528 9.213 14.888 1.00 0.00 C ATOM 1012 C SER A 72 -5.054 8.850 15.092 1.00 0.00 C ATOM 1013 O SER A 72 -4.430 9.273 16.045 1.00 0.00 O ATOM 1014 CB SER A 72 -7.409 8.174 15.587 1.00 0.00 C ATOM 1015 OG SER A 72 -7.036 6.873 15.162 1.00 0.00 O ATOM 0 H SER A 72 -7.466 8.487 13.112 1.00 0.00 H new ATOM 0 HA SER A 72 -6.714 10.200 15.312 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.302 8.259 16.668 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.458 8.357 15.355 1.00 0.00 H new ATOM 0 HG SER A 72 -6.745 6.905 14.227 1.00 0.00 H new ATOM 1021 N SER A 73 -4.494 8.065 14.215 1.00 0.00 N ATOM 1022 CA SER A 73 -3.065 7.676 14.372 1.00 0.00 C ATOM 1023 C SER A 73 -2.168 8.887 14.117 1.00 0.00 C ATOM 1024 O SER A 73 -1.244 9.155 14.859 1.00 0.00 O ATOM 1025 CB SER A 73 -2.725 6.568 13.374 1.00 0.00 C ATOM 1026 OG SER A 73 -3.724 5.560 13.428 1.00 0.00 O ATOM 0 H SER A 73 -4.963 7.676 13.397 1.00 0.00 H new ATOM 0 HA SER A 73 -2.900 7.315 15.387 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.661 6.978 12.366 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.749 6.141 13.607 1.00 0.00 H new ATOM 0 HG SER A 73 -4.480 5.818 12.860 1.00 0.00 H new ATOM 1032 N VAL A 74 -2.432 9.619 13.074 1.00 0.00 N ATOM 1033 CA VAL A 74 -1.594 10.814 12.769 1.00 0.00 C ATOM 1034 C VAL A 74 -1.835 11.891 13.825 1.00 0.00 C ATOM 1035 O VAL A 74 -0.934 12.606 14.215 1.00 0.00 O ATOM 1036 CB VAL A 74 -1.970 11.364 11.392 1.00 0.00 C ATOM 1037 CG1 VAL A 74 -3.336 12.049 11.467 1.00 0.00 C ATOM 1038 CG2 VAL A 74 -0.916 12.379 10.944 1.00 0.00 C ATOM 0 H VAL A 74 -3.192 9.443 12.417 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.542 10.527 12.774 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.016 10.544 10.676 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.601 12.440 10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.088 11.327 11.786 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.293 12.869 12.184 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.183 12.772 9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.871 13.198 11.662 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.057 11.892 10.887 1.00 0.00 H new ATOM 1048 N ALA A 75 -3.048 12.016 14.284 1.00 0.00 N ATOM 1049 CA ALA A 75 -3.351 13.054 15.306 1.00 0.00 C ATOM 1050 C ALA A 75 -2.502 12.811 16.557 1.00 0.00 C ATOM 1051 O ALA A 75 -1.993 13.734 17.160 1.00 0.00 O ATOM 1052 CB ALA A 75 -4.834 12.990 15.675 1.00 0.00 C ATOM 0 H ALA A 75 -3.842 11.444 13.996 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.119 14.038 14.899 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.056 13.750 16.424 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.438 13.169 14.786 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.066 12.005 16.079 1.00 0.00 H new ATOM 1058 N GLN A 76 -2.349 11.577 16.954 1.00 0.00 N ATOM 1059 CA GLN A 76 -1.538 11.281 18.169 1.00 0.00 C ATOM 1060 C GLN A 76 -0.058 11.534 17.873 1.00 0.00 C ATOM 1061 O GLN A 76 0.689 11.971 18.727 1.00 0.00 O ATOM 1062 CB GLN A 76 -1.734 9.817 18.567 1.00 0.00 C ATOM 1063 CG GLN A 76 -1.039 9.555 19.903 1.00 0.00 C ATOM 1064 CD GLN A 76 -1.218 8.086 20.292 1.00 0.00 C ATOM 1065 OE1 GLN A 76 -1.957 7.363 19.654 1.00 0.00 O ATOM 1066 NE2 GLN A 76 -0.567 7.611 21.318 1.00 0.00 N ATOM 0 H GLN A 76 -2.750 10.762 16.490 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.860 11.928 18.985 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.797 9.590 18.647 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.325 9.162 17.798 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.021 9.795 19.827 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.457 10.200 20.675 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.054 8.218 21.854 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.679 6.633 21.584 1.00 0.00 H new ATOM 1075 N ILE A 77 0.374 11.260 16.673 1.00 0.00 N ATOM 1076 CA ILE A 77 1.806 11.484 16.327 1.00 0.00 C ATOM 1077 C ILE A 77 2.162 12.953 16.548 1.00 0.00 C ATOM 1078 O ILE A 77 3.125 13.278 17.214 1.00 0.00 O ATOM 1079 CB ILE A 77 2.040 11.119 14.859 1.00 0.00 C ATOM 1080 CG1 ILE A 77 1.793 9.623 14.657 1.00 0.00 C ATOM 1081 CG2 ILE A 77 3.482 11.456 14.474 1.00 0.00 C ATOM 1082 CD1 ILE A 77 1.712 9.317 13.160 1.00 0.00 C ATOM 0 H ILE A 77 -0.203 10.891 15.917 1.00 0.00 H new ATOM 0 HA ILE A 77 2.434 10.859 16.962 1.00 0.00 H new ATOM 0 HB ILE A 77 1.354 11.686 14.230 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.597 9.046 15.114 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.867 9.326 15.150 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.650 11.196 13.429 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.657 12.523 14.616 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.168 10.889 15.103 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.536 8.251 13.016 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.893 9.883 12.717 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.649 9.598 12.680 1.00 0.00 H new ATOM 1094 N ALA A 78 1.393 13.842 15.990 1.00 0.00 N ATOM 1095 CA ALA A 78 1.684 15.294 16.159 1.00 0.00 C ATOM 1096 C ALA A 78 1.280 15.740 17.566 1.00 0.00 C ATOM 1097 O ALA A 78 1.981 16.494 18.213 1.00 0.00 O ATOM 1098 CB ALA A 78 0.892 16.094 15.124 1.00 0.00 C ATOM 0 H ALA A 78 0.573 13.627 15.422 1.00 0.00 H new ATOM 0 HA ALA A 78 2.751 15.468 16.018 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.103 17.156 15.246 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.182 15.779 14.121 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.174 15.918 15.266 1.00 0.00 H new ATOM 1104 N ALA A 79 0.156 15.283 18.045 1.00 0.00 N ATOM 1105 CA ALA A 79 -0.289 15.685 19.409 1.00 0.00 C ATOM 1106 C ALA A 79 0.776 15.287 20.433 1.00 0.00 C ATOM 1107 O ALA A 79 0.886 15.878 21.489 1.00 0.00 O ATOM 1108 CB ALA A 79 -1.606 14.982 19.743 1.00 0.00 C ATOM 0 H ALA A 79 -0.473 14.649 17.552 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.435 16.765 19.439 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.932 15.276 20.741 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.365 15.267 19.015 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.460 13.902 19.712 1.00 0.00 H new ATOM 1114 N SER A 80 1.562 14.292 20.129 1.00 0.00 N ATOM 1115 CA SER A 80 2.619 13.859 21.086 1.00 0.00 C ATOM 1116 C SER A 80 3.790 14.843 21.030 1.00 0.00 C ATOM 1117 O SER A 80 4.589 14.923 21.942 1.00 0.00 O ATOM 1118 CB SER A 80 3.108 12.459 20.707 1.00 0.00 C ATOM 1119 OG SER A 80 4.057 12.014 21.667 1.00 0.00 O ATOM 0 H SER A 80 1.518 13.760 19.260 1.00 0.00 H new ATOM 0 HA SER A 80 2.210 13.838 22.096 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.267 11.767 20.664 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.559 12.476 19.715 1.00 0.00 H new ATOM 0 HG SER A 80 4.370 11.117 21.426 1.00 0.00 H new ATOM 1125 N GLN A 81 3.900 15.590 19.966 1.00 0.00 N ATOM 1126 CA GLN A 81 5.022 16.566 19.853 1.00 0.00 C ATOM 1127 C GLN A 81 5.092 17.411 21.125 1.00 0.00 C ATOM 1128 O GLN A 81 6.159 17.745 21.603 1.00 0.00 O ATOM 1129 CB GLN A 81 4.786 17.478 18.647 1.00 0.00 C ATOM 1130 CG GLN A 81 4.824 16.646 17.363 1.00 0.00 C ATOM 1131 CD GLN A 81 4.824 17.580 16.151 1.00 0.00 C ATOM 1132 OE1 GLN A 81 5.867 18.008 15.699 1.00 0.00 O ATOM 1133 NE2 GLN A 81 3.689 17.916 15.601 1.00 0.00 N ATOM 0 H GLN A 81 3.262 15.567 19.170 1.00 0.00 H new ATOM 0 HA GLN A 81 5.960 16.027 19.722 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.823 17.979 18.740 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.548 18.256 18.611 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.714 16.017 17.351 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.962 15.980 17.323 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.813 17.557 15.980 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.678 18.537 14.792 1.00 0.00 H new ATOM 1142 N GLY A 82 3.965 17.761 21.676 1.00 0.00 N ATOM 1143 CA GLY A 82 3.965 18.585 22.917 1.00 0.00 C ATOM 1144 C GLY A 82 4.139 20.061 22.551 1.00 0.00 C ATOM 1145 O GLY A 82 4.379 20.896 23.400 1.00 0.00 O ATOM 0 H GLY A 82 3.042 17.512 21.321 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.031 18.442 23.461 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.771 18.266 23.578 1.00 0.00 H new ATOM 1149 N GLY A 83 4.019 20.389 21.294 1.00 0.00 N ATOM 1150 CA GLY A 83 4.178 21.811 20.878 1.00 0.00 C ATOM 1151 C GLY A 83 2.798 22.451 20.722 1.00 0.00 C ATOM 1152 O GLY A 83 1.856 22.089 21.399 1.00 0.00 O ATOM 0 H GLY A 83 3.818 19.735 20.538 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.762 22.356 21.620 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.726 21.867 19.937 1.00 0.00 H new ATOM 1156 N ASP A 84 2.669 23.397 19.833 1.00 0.00 N ATOM 1157 CA ASP A 84 1.347 24.055 19.636 1.00 0.00 C ATOM 1158 C ASP A 84 0.361 23.039 19.055 1.00 0.00 C ATOM 1159 O ASP A 84 0.569 22.499 17.989 1.00 0.00 O ATOM 1160 CB ASP A 84 1.500 25.230 18.666 1.00 0.00 C ATOM 1161 CG ASP A 84 0.233 26.087 18.698 1.00 0.00 C ATOM 1162 OD1 ASP A 84 -0.655 25.768 19.472 1.00 0.00 O ATOM 1163 OD2 ASP A 84 0.172 27.047 17.948 1.00 0.00 O ATOM 0 H ASP A 84 3.420 23.742 19.236 1.00 0.00 H new ATOM 0 HA ASP A 84 0.975 24.422 20.592 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.366 25.832 18.941 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.677 24.861 17.656 1.00 0.00 H new ATOM 1168 N LEU A 85 -0.709 22.772 19.751 1.00 0.00 N ATOM 1169 CA LEU A 85 -1.703 21.787 19.235 1.00 0.00 C ATOM 1170 C LEU A 85 -2.506 22.423 18.099 1.00 0.00 C ATOM 1171 O LEU A 85 -3.048 21.741 17.251 1.00 0.00 O ATOM 1172 CB LEU A 85 -2.649 21.382 20.368 1.00 0.00 C ATOM 1173 CG LEU A 85 -3.661 20.358 19.847 1.00 0.00 C ATOM 1174 CD1 LEU A 85 -3.084 18.950 19.994 1.00 0.00 C ATOM 1175 CD2 LEU A 85 -4.956 20.466 20.656 1.00 0.00 C ATOM 0 H LEU A 85 -0.939 23.191 20.652 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.185 20.904 18.861 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.081 20.959 21.196 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.169 22.259 20.753 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.871 20.556 18.796 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.804 18.221 19.623 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.161 18.873 19.419 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.874 18.751 21.045 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.678 19.738 20.286 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.746 20.268 21.707 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.368 21.470 20.551 1.00 0.00 H new ATOM 1187 N GLY A 86 -2.590 23.725 18.076 1.00 0.00 N ATOM 1188 CA GLY A 86 -3.361 24.405 16.997 1.00 0.00 C ATOM 1189 C GLY A 86 -2.606 24.295 15.669 1.00 0.00 C ATOM 1190 O GLY A 86 -3.202 24.220 14.612 1.00 0.00 O ATOM 0 H GLY A 86 -2.158 24.348 18.758 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.348 23.952 16.903 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.514 25.453 17.253 1.00 0.00 H new ATOM 1194 N VAL A 87 -1.301 24.293 15.709 1.00 0.00 N ATOM 1195 CA VAL A 87 -0.523 24.197 14.441 1.00 0.00 C ATOM 1196 C VAL A 87 -0.695 22.804 13.830 1.00 0.00 C ATOM 1197 O VAL A 87 -0.802 22.657 12.629 1.00 0.00 O ATOM 1198 CB VAL A 87 0.960 24.475 14.722 1.00 0.00 C ATOM 1199 CG1 VAL A 87 1.644 23.216 15.265 1.00 0.00 C ATOM 1200 CG2 VAL A 87 1.649 24.907 13.425 1.00 0.00 C ATOM 0 H VAL A 87 -0.742 24.353 16.560 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.893 24.938 13.733 1.00 0.00 H new ATOM 0 HB VAL A 87 1.037 25.268 15.466 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.695 23.428 15.460 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.158 22.909 16.191 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.566 22.414 14.531 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.703 25.105 13.621 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.561 24.112 12.684 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.174 25.812 13.045 1.00 0.00 H new ATOM 1210 N THR A 88 -0.737 21.777 14.639 1.00 0.00 N ATOM 1211 CA THR A 88 -0.918 20.415 14.069 1.00 0.00 C ATOM 1212 C THR A 88 -2.173 20.419 13.205 1.00 0.00 C ATOM 1213 O THR A 88 -2.250 19.749 12.196 1.00 0.00 O ATOM 1214 CB THR A 88 -1.078 19.386 15.189 1.00 0.00 C ATOM 1215 OG1 THR A 88 0.131 19.301 15.930 1.00 0.00 O ATOM 1216 CG2 THR A 88 -1.402 18.024 14.574 1.00 0.00 C ATOM 0 H THR A 88 -0.655 21.823 15.655 1.00 0.00 H new ATOM 0 HA THR A 88 -0.044 20.149 13.475 1.00 0.00 H new ATOM 0 HB THR A 88 -1.886 19.688 15.855 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.028 18.643 16.649 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.517 17.285 15.367 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.329 18.093 14.005 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.591 17.722 13.912 1.00 0.00 H new ATOM 1224 N THR A 89 -3.153 21.188 13.589 1.00 0.00 N ATOM 1225 CA THR A 89 -4.399 21.255 12.782 1.00 0.00 C ATOM 1226 C THR A 89 -4.031 21.698 11.368 1.00 0.00 C ATOM 1227 O THR A 89 -4.423 21.089 10.395 1.00 0.00 O ATOM 1228 CB THR A 89 -5.359 22.271 13.408 1.00 0.00 C ATOM 1229 OG1 THR A 89 -5.369 22.101 14.818 1.00 0.00 O ATOM 1230 CG2 THR A 89 -6.769 22.053 12.855 1.00 0.00 C ATOM 0 H THR A 89 -3.144 21.771 14.426 1.00 0.00 H new ATOM 0 HA THR A 89 -4.885 20.280 12.754 1.00 0.00 H new ATOM 0 HB THR A 89 -5.030 23.281 13.165 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.704 22.696 15.224 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.451 22.777 13.301 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.760 22.183 11.773 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.102 21.044 13.096 1.00 0.00 H new ATOM 1238 N ASN A 90 -3.265 22.748 11.252 1.00 0.00 N ATOM 1239 CA ASN A 90 -2.856 23.226 9.904 1.00 0.00 C ATOM 1240 C ASN A 90 -1.862 22.232 9.299 1.00 0.00 C ATOM 1241 O ASN A 90 -1.915 21.919 8.127 1.00 0.00 O ATOM 1242 CB ASN A 90 -2.190 24.598 10.026 1.00 0.00 C ATOM 1243 CG ASN A 90 -3.155 25.578 10.696 1.00 0.00 C ATOM 1244 OD1 ASN A 90 -4.357 25.413 10.621 1.00 0.00 O ATOM 1245 ND2 ASN A 90 -2.677 26.601 11.352 1.00 0.00 N ATOM 0 H ASN A 90 -2.905 23.295 12.034 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.734 23.306 9.264 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.273 24.518 10.610 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.908 24.966 9.039 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.312 27.261 11.801 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.669 26.740 11.415 1.00 0.00 H new ATOM 1252 N ALA A 91 -0.953 21.735 10.093 1.00 0.00 N ATOM 1253 CA ALA A 91 0.049 20.763 9.569 1.00 0.00 C ATOM 1254 C ALA A 91 -0.656 19.481 9.123 1.00 0.00 C ATOM 1255 O ALA A 91 -0.470 19.009 8.018 1.00 0.00 O ATOM 1256 CB ALA A 91 1.058 20.431 10.670 1.00 0.00 C ATOM 0 H ALA A 91 -0.861 21.960 11.083 1.00 0.00 H new ATOM 0 HA ALA A 91 0.566 21.204 8.717 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.792 19.720 10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.566 21.343 10.985 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.537 19.993 11.521 1.00 0.00 H new ATOM 1262 N ILE A 92 -1.455 18.908 9.978 1.00 0.00 N ATOM 1263 CA ILE A 92 -2.166 17.650 9.615 1.00 0.00 C ATOM 1264 C ILE A 92 -3.286 17.949 8.613 1.00 0.00 C ATOM 1265 O ILE A 92 -3.537 17.181 7.706 1.00 0.00 O ATOM 1266 CB ILE A 92 -2.763 17.029 10.882 1.00 0.00 C ATOM 1267 CG1 ILE A 92 -1.638 16.457 11.746 1.00 0.00 C ATOM 1268 CG2 ILE A 92 -3.731 15.906 10.499 1.00 0.00 C ATOM 1269 CD1 ILE A 92 -2.236 15.777 12.980 1.00 0.00 C ATOM 0 H ILE A 92 -1.647 19.258 10.917 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.461 16.955 9.158 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.301 17.795 11.441 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.052 15.740 11.171 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.958 17.253 12.050 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.154 15.466 11.402 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.533 16.312 9.883 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.196 15.139 9.939 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.434 15.369 13.595 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.803 16.506 13.559 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.898 14.970 12.666 1.00 0.00 H new ATOM 1281 N ALA A 93 -3.970 19.049 8.774 1.00 0.00 N ATOM 1282 CA ALA A 93 -5.082 19.378 7.832 1.00 0.00 C ATOM 1283 C ALA A 93 -4.523 19.793 6.466 1.00 0.00 C ATOM 1284 O ALA A 93 -5.028 19.393 5.436 1.00 0.00 O ATOM 1285 CB ALA A 93 -5.917 20.524 8.405 1.00 0.00 C ATOM 0 H ALA A 93 -3.809 19.733 9.514 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.705 18.493 7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.728 20.763 7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.334 20.225 9.367 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -5.285 21.402 8.540 1.00 0.00 H new ATOM 1291 N ASP A 94 -3.496 20.599 6.441 1.00 0.00 N ATOM 1292 CA ASP A 94 -2.931 21.037 5.131 1.00 0.00 C ATOM 1293 C ASP A 94 -2.577 19.814 4.285 1.00 0.00 C ATOM 1294 O ASP A 94 -2.884 19.751 3.111 1.00 0.00 O ATOM 1295 CB ASP A 94 -1.671 21.872 5.364 1.00 0.00 C ATOM 1296 CG ASP A 94 -1.310 22.617 4.077 1.00 0.00 C ATOM 1297 OD1 ASP A 94 -1.858 22.273 3.042 1.00 0.00 O ATOM 1298 OD2 ASP A 94 -0.490 23.519 4.146 1.00 0.00 O ATOM 0 H ASP A 94 -3.026 20.972 7.266 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.674 21.638 4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.837 22.582 6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.846 21.228 5.668 1.00 0.00 H new ATOM 1303 N ALA A 95 -1.933 18.839 4.867 1.00 0.00 N ATOM 1304 CA ALA A 95 -1.567 17.625 4.089 1.00 0.00 C ATOM 1305 C ALA A 95 -2.830 16.815 3.808 1.00 0.00 C ATOM 1306 O ALA A 95 -2.976 16.207 2.766 1.00 0.00 O ATOM 1307 CB ALA A 95 -0.584 16.778 4.898 1.00 0.00 C ATOM 0 H ALA A 95 -1.646 18.832 5.846 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.100 17.916 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.316 15.888 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.314 17.361 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.048 16.480 5.838 1.00 0.00 H new ATOM 1313 N LEU A 96 -3.748 16.807 4.733 1.00 0.00 N ATOM 1314 CA LEU A 96 -5.009 16.044 4.533 1.00 0.00 C ATOM 1315 C LEU A 96 -5.857 16.728 3.458 1.00 0.00 C ATOM 1316 O LEU A 96 -6.467 16.083 2.629 1.00 0.00 O ATOM 1317 CB LEU A 96 -5.787 16.009 5.849 1.00 0.00 C ATOM 1318 CG LEU A 96 -6.621 14.731 5.912 1.00 0.00 C ATOM 1319 CD1 LEU A 96 -7.432 14.590 4.622 1.00 0.00 C ATOM 1320 CD2 LEU A 96 -5.688 13.530 6.067 1.00 0.00 C ATOM 0 H LEU A 96 -3.678 17.299 5.624 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.776 15.028 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.098 16.049 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.434 16.883 5.925 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.301 14.776 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.028 13.678 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.092 15.450 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.754 14.541 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.278 12.615 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.011 13.483 5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.109 13.635 6.985 1.00 0.00 H new ATOM 1332 N THR A 97 -5.904 18.031 3.471 1.00 0.00 N ATOM 1333 CA THR A 97 -6.718 18.763 2.459 1.00 0.00 C ATOM 1334 C THR A 97 -6.103 18.590 1.069 1.00 0.00 C ATOM 1335 O THR A 97 -6.764 18.180 0.136 1.00 0.00 O ATOM 1336 CB THR A 97 -6.758 20.249 2.820 1.00 0.00 C ATOM 1337 OG1 THR A 97 -7.440 20.416 4.055 1.00 0.00 O ATOM 1338 CG2 THR A 97 -7.489 21.025 1.724 1.00 0.00 C ATOM 0 H THR A 97 -5.412 18.623 4.141 1.00 0.00 H new ATOM 0 HA THR A 97 -7.731 18.360 2.452 1.00 0.00 H new ATOM 0 HB THR A 97 -5.740 20.627 2.911 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.465 21.367 4.289 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.516 22.083 1.984 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.965 20.897 0.777 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.508 20.649 1.629 1.00 0.00 H new ATOM 1346 N SER A 98 -4.845 18.901 0.920 1.00 0.00 N ATOM 1347 CA SER A 98 -4.198 18.754 -0.414 1.00 0.00 C ATOM 1348 C SER A 98 -4.281 17.292 -0.859 1.00 0.00 C ATOM 1349 O SER A 98 -4.593 16.993 -1.994 1.00 0.00 O ATOM 1350 CB SER A 98 -2.732 19.179 -0.318 1.00 0.00 C ATOM 1351 OG SER A 98 -2.658 20.515 0.157 1.00 0.00 O ATOM 0 H SER A 98 -4.238 19.250 1.662 1.00 0.00 H new ATOM 0 HA SER A 98 -4.710 19.384 -1.141 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.192 18.512 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.255 19.102 -1.295 1.00 0.00 H new ATOM 0 HG SER A 98 -2.715 20.518 1.135 1.00 0.00 H new ATOM 1357 N ALA A 99 -4.006 16.379 0.032 1.00 0.00 N ATOM 1358 CA ALA A 99 -4.067 14.935 -0.333 1.00 0.00 C ATOM 1359 C ALA A 99 -5.452 14.611 -0.895 1.00 0.00 C ATOM 1360 O ALA A 99 -5.584 13.962 -1.914 1.00 0.00 O ATOM 1361 CB ALA A 99 -3.811 14.083 0.912 1.00 0.00 C ATOM 0 H ALA A 99 -3.741 16.571 0.998 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.308 14.717 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.856 13.027 0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.825 14.314 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.570 14.300 1.664 1.00 0.00 H new ATOM 1367 N PHE A 100 -6.485 15.054 -0.235 1.00 0.00 N ATOM 1368 CA PHE A 100 -7.864 14.771 -0.725 1.00 0.00 C ATOM 1369 C PHE A 100 -7.950 15.065 -2.223 1.00 0.00 C ATOM 1370 O PHE A 100 -8.311 14.215 -3.014 1.00 0.00 O ATOM 1371 CB PHE A 100 -8.852 15.668 0.019 1.00 0.00 C ATOM 1372 CG PHE A 100 -9.526 14.883 1.116 1.00 0.00 C ATOM 1373 CD1 PHE A 100 -10.291 13.756 0.800 1.00 0.00 C ATOM 1374 CD2 PHE A 100 -9.389 15.285 2.449 1.00 0.00 C ATOM 1375 CE1 PHE A 100 -10.923 13.030 1.817 1.00 0.00 C ATOM 1376 CE2 PHE A 100 -10.018 14.560 3.466 1.00 0.00 C ATOM 1377 CZ PHE A 100 -10.786 13.432 3.151 1.00 0.00 C ATOM 0 H PHE A 100 -6.434 15.601 0.624 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.104 13.723 -0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.331 16.527 0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -9.598 16.057 -0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.394 13.445 -0.229 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.798 16.155 2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.516 12.161 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.911 14.870 4.495 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.272 12.873 3.937 1.00 0.00 H new ATOM 1387 N TYR A 101 -7.626 16.265 -2.619 1.00 0.00 N ATOM 1388 CA TYR A 101 -7.693 16.623 -4.063 1.00 0.00 C ATOM 1389 C TYR A 101 -6.557 15.931 -4.817 1.00 0.00 C ATOM 1390 O TYR A 101 -6.693 15.570 -5.969 1.00 0.00 O ATOM 1391 CB TYR A 101 -7.569 18.141 -4.216 1.00 0.00 C ATOM 1392 CG TYR A 101 -8.212 18.824 -3.028 1.00 0.00 C ATOM 1393 CD1 TYR A 101 -9.504 18.463 -2.621 1.00 0.00 C ATOM 1394 CD2 TYR A 101 -7.511 19.815 -2.330 1.00 0.00 C ATOM 1395 CE1 TYR A 101 -10.095 19.094 -1.516 1.00 0.00 C ATOM 1396 CE2 TYR A 101 -8.102 20.446 -1.227 1.00 0.00 C ATOM 1397 CZ TYR A 101 -9.393 20.086 -0.821 1.00 0.00 C ATOM 1398 OH TYR A 101 -9.971 20.706 0.268 1.00 0.00 O ATOM 0 H TYR A 101 -7.317 17.016 -2.002 1.00 0.00 H new ATOM 0 HA TYR A 101 -8.647 16.295 -4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.519 18.425 -4.288 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -8.050 18.464 -5.139 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -10.045 17.698 -3.159 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.515 20.093 -2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -11.090 18.815 -1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.561 21.211 -0.689 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.642 21.627 0.333 1.00 0.00 H new ATOM 1408 N GLN A 102 -5.439 15.741 -4.176 1.00 0.00 N ATOM 1409 CA GLN A 102 -4.295 15.071 -4.854 1.00 0.00 C ATOM 1410 C GLN A 102 -4.663 13.623 -5.187 1.00 0.00 C ATOM 1411 O GLN A 102 -4.022 12.985 -5.999 1.00 0.00 O ATOM 1412 CB GLN A 102 -3.081 15.071 -3.925 1.00 0.00 C ATOM 1413 CG GLN A 102 -2.412 16.446 -3.944 1.00 0.00 C ATOM 1414 CD GLN A 102 -0.973 16.317 -3.440 1.00 0.00 C ATOM 1415 OE1 GLN A 102 -0.571 15.267 -2.980 1.00 0.00 O ATOM 1416 NE2 GLN A 102 -0.175 17.347 -3.507 1.00 0.00 N ATOM 0 H GLN A 102 -5.267 16.021 -3.210 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.062 15.610 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.389 14.821 -2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.371 14.307 -4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.420 16.853 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.968 17.142 -3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.512 18.229 -3.893 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.786 17.270 -3.173 1.00 0.00 H new ATOM 1425 N THR A 103 -5.670 13.083 -4.551 1.00 0.00 N ATOM 1426 CA THR A 103 -6.037 11.665 -4.828 1.00 0.00 C ATOM 1427 C THR A 103 -7.429 11.563 -5.466 1.00 0.00 C ATOM 1428 O THR A 103 -7.576 11.041 -6.553 1.00 0.00 O ATOM 1429 CB THR A 103 -6.021 10.882 -3.514 1.00 0.00 C ATOM 1430 OG1 THR A 103 -7.076 11.343 -2.680 1.00 0.00 O ATOM 1431 CG2 THR A 103 -4.674 11.090 -2.815 1.00 0.00 C ATOM 0 H THR A 103 -6.249 13.558 -3.858 1.00 0.00 H new ATOM 0 HA THR A 103 -5.313 11.250 -5.529 1.00 0.00 H new ATOM 0 HB THR A 103 -6.160 9.820 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.839 12.217 -2.305 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.660 10.533 -1.878 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.871 10.735 -3.460 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.531 12.151 -2.608 1.00 0.00 H new ATOM 1439 N THR A 104 -8.458 12.034 -4.807 1.00 0.00 N ATOM 1440 CA THR A 104 -9.822 11.919 -5.409 1.00 0.00 C ATOM 1441 C THR A 104 -10.512 13.285 -5.468 1.00 0.00 C ATOM 1442 O THR A 104 -11.126 13.631 -6.458 1.00 0.00 O ATOM 1443 CB THR A 104 -10.667 10.965 -4.562 1.00 0.00 C ATOM 1444 OG1 THR A 104 -11.068 11.624 -3.370 1.00 0.00 O ATOM 1445 CG2 THR A 104 -9.843 9.726 -4.210 1.00 0.00 C ATOM 0 H THR A 104 -8.416 12.486 -3.894 1.00 0.00 H new ATOM 0 HA THR A 104 -9.722 11.537 -6.425 1.00 0.00 H new ATOM 0 HB THR A 104 -11.550 10.662 -5.125 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.331 11.610 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 104 -10.446 9.047 -3.607 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.535 9.221 -5.126 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.959 10.025 -3.646 1.00 0.00 H new ATOM 1453 N GLY A 105 -10.421 14.068 -4.429 1.00 0.00 N ATOM 1454 CA GLY A 105 -11.081 15.405 -4.458 1.00 0.00 C ATOM 1455 C GLY A 105 -12.292 15.423 -3.521 1.00 0.00 C ATOM 1456 O GLY A 105 -13.345 15.917 -3.871 1.00 0.00 O ATOM 0 H GLY A 105 -9.923 13.844 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.370 16.175 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.396 15.640 -5.475 1.00 0.00 H new ATOM 1460 N VAL A 106 -12.152 14.910 -2.330 1.00 0.00 N ATOM 1461 CA VAL A 106 -13.299 14.928 -1.380 1.00 0.00 C ATOM 1462 C VAL A 106 -13.130 16.113 -0.431 1.00 0.00 C ATOM 1463 O VAL A 106 -12.066 16.687 -0.322 1.00 0.00 O ATOM 1464 CB VAL A 106 -13.331 13.626 -0.578 1.00 0.00 C ATOM 1465 CG1 VAL A 106 -14.629 13.555 0.232 1.00 0.00 C ATOM 1466 CG2 VAL A 106 -13.265 12.437 -1.535 1.00 0.00 C ATOM 0 H VAL A 106 -11.297 14.481 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.234 15.023 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 106 -12.478 13.597 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -14.651 12.627 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -14.678 14.403 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -15.483 13.585 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -13.288 11.509 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -14.118 12.467 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.342 12.485 -2.112 1.00 0.00 H new ATOM 1476 N VAL A 107 -14.172 16.488 0.251 1.00 0.00 N ATOM 1477 CA VAL A 107 -14.074 17.640 1.186 1.00 0.00 C ATOM 1478 C VAL A 107 -13.095 17.309 2.317 1.00 0.00 C ATOM 1479 O VAL A 107 -13.275 16.354 3.047 1.00 0.00 O ATOM 1480 CB VAL A 107 -15.447 17.907 1.783 1.00 0.00 C ATOM 1481 CG1 VAL A 107 -16.440 18.233 0.665 1.00 0.00 C ATOM 1482 CG2 VAL A 107 -15.904 16.653 2.528 1.00 0.00 C ATOM 0 H VAL A 107 -15.090 16.046 0.202 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.719 18.518 0.646 1.00 0.00 H new ATOM 0 HB VAL A 107 -15.398 18.752 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.423 18.424 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -16.102 19.118 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.503 17.390 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.888 16.827 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -15.958 15.816 1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -15.193 16.421 3.321 1.00 0.00 H new ATOM 1492 N ASN A 108 -12.068 18.094 2.471 1.00 0.00 N ATOM 1493 CA ASN A 108 -11.082 17.832 3.558 1.00 0.00 C ATOM 1494 C ASN A 108 -11.706 18.147 4.920 1.00 0.00 C ATOM 1495 O ASN A 108 -11.400 17.520 5.914 1.00 0.00 O ATOM 1496 CB ASN A 108 -9.852 18.715 3.344 1.00 0.00 C ATOM 1497 CG ASN A 108 -10.187 20.164 3.707 1.00 0.00 C ATOM 1498 OD1 ASN A 108 -10.216 20.521 4.868 1.00 0.00 O ATOM 1499 ND2 ASN A 108 -10.446 21.018 2.756 1.00 0.00 N ATOM 0 H ASN A 108 -11.867 18.908 1.891 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.792 16.782 3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -9.025 18.358 3.958 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -9.526 18.656 2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -10.673 21.985 2.987 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.422 20.719 1.781 1.00 0.00 H new ATOM 1506 N SER A 109 -12.562 19.128 4.974 1.00 0.00 N ATOM 1507 CA SER A 109 -13.192 19.509 6.271 1.00 0.00 C ATOM 1508 C SER A 109 -13.924 18.317 6.896 1.00 0.00 C ATOM 1509 O SER A 109 -13.836 18.085 8.084 1.00 0.00 O ATOM 1510 CB SER A 109 -14.189 20.645 6.033 1.00 0.00 C ATOM 1511 OG SER A 109 -15.284 20.162 5.269 1.00 0.00 O ATOM 0 H SER A 109 -12.855 19.686 4.172 1.00 0.00 H new ATOM 0 HA SER A 109 -12.408 19.832 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.542 21.039 6.986 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.701 21.467 5.510 1.00 0.00 H new ATOM 0 HG SER A 109 -15.923 20.889 5.118 1.00 0.00 H new ATOM 1517 N ARG A 110 -14.660 17.568 6.121 1.00 0.00 N ATOM 1518 CA ARG A 110 -15.402 16.413 6.706 1.00 0.00 C ATOM 1519 C ARG A 110 -14.429 15.461 7.406 1.00 0.00 C ATOM 1520 O ARG A 110 -14.588 15.144 8.567 1.00 0.00 O ATOM 1521 CB ARG A 110 -16.132 15.662 5.591 1.00 0.00 C ATOM 1522 CG ARG A 110 -16.917 14.493 6.192 1.00 0.00 C ATOM 1523 CD ARG A 110 -17.640 13.740 5.073 1.00 0.00 C ATOM 1524 NE ARG A 110 -18.612 12.780 5.668 1.00 0.00 N ATOM 1525 CZ ARG A 110 -19.750 12.551 5.071 1.00 0.00 C ATOM 1526 NH1 ARG A 110 -19.778 12.312 3.789 1.00 0.00 N ATOM 1527 NH2 ARG A 110 -20.860 12.564 5.757 1.00 0.00 N ATOM 0 H ARG A 110 -14.780 17.703 5.117 1.00 0.00 H new ATOM 0 HA ARG A 110 -16.122 16.785 7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -16.808 16.337 5.066 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -15.416 15.294 4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -16.242 13.821 6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -17.637 14.861 6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -18.159 14.444 4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -16.919 13.207 4.454 1.00 0.00 H new ATOM 0 HE ARG A 110 -18.388 12.302 6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -18.910 12.304 3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -20.667 12.133 3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -20.838 12.753 6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -21.750 12.385 5.291 1.00 0.00 H new ATOM 1541 N PHE A 111 -13.423 15.005 6.714 1.00 0.00 N ATOM 1542 CA PHE A 111 -12.445 14.077 7.349 1.00 0.00 C ATOM 1543 C PHE A 111 -11.518 14.860 8.281 1.00 0.00 C ATOM 1544 O PHE A 111 -11.260 14.460 9.399 1.00 0.00 O ATOM 1545 CB PHE A 111 -11.615 13.388 6.265 1.00 0.00 C ATOM 1546 CG PHE A 111 -10.767 12.306 6.890 1.00 0.00 C ATOM 1547 CD1 PHE A 111 -9.503 12.617 7.405 1.00 0.00 C ATOM 1548 CD2 PHE A 111 -11.245 10.992 6.953 1.00 0.00 C ATOM 1549 CE1 PHE A 111 -8.717 11.613 7.984 1.00 0.00 C ATOM 1550 CE2 PHE A 111 -10.458 9.988 7.533 1.00 0.00 C ATOM 1551 CZ PHE A 111 -9.194 10.299 8.048 1.00 0.00 C ATOM 0 H PHE A 111 -13.235 15.234 5.738 1.00 0.00 H new ATOM 0 HA PHE A 111 -12.985 13.326 7.926 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -12.271 12.959 5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -10.980 14.116 5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -9.134 13.631 7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -12.220 10.752 6.555 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.742 11.853 8.381 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.827 8.974 7.583 1.00 0.00 H new ATOM 0 HZ PHE A 111 -8.587 9.525 8.495 1.00 0.00 H new ATOM 1561 N ILE A 112 -11.006 15.968 7.820 1.00 0.00 N ATOM 1562 CA ILE A 112 -10.082 16.777 8.665 1.00 0.00 C ATOM 1563 C ILE A 112 -10.814 17.283 9.912 1.00 0.00 C ATOM 1564 O ILE A 112 -10.241 17.374 10.980 1.00 0.00 O ATOM 1565 CB ILE A 112 -9.565 17.966 7.850 1.00 0.00 C ATOM 1566 CG1 ILE A 112 -8.713 17.451 6.687 1.00 0.00 C ATOM 1567 CG2 ILE A 112 -8.716 18.871 8.745 1.00 0.00 C ATOM 1568 CD1 ILE A 112 -7.975 18.620 6.034 1.00 0.00 C ATOM 0 H ILE A 112 -11.188 16.349 6.892 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.244 16.155 8.979 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.409 18.535 7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.997 16.712 7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.345 16.952 5.953 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.349 19.717 8.164 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.323 19.236 9.573 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.870 18.306 9.137 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -7.369 18.251 5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -8.699 19.344 5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -7.330 19.100 6.770 1.00 0.00 H new ATOM 1580 N SER A 113 -12.071 17.612 9.792 1.00 0.00 N ATOM 1581 CA SER A 113 -12.823 18.109 10.981 1.00 0.00 C ATOM 1582 C SER A 113 -12.780 17.053 12.088 1.00 0.00 C ATOM 1583 O SER A 113 -12.767 17.371 13.261 1.00 0.00 O ATOM 1584 CB SER A 113 -14.277 18.382 10.593 1.00 0.00 C ATOM 1585 OG SER A 113 -15.030 18.685 11.759 1.00 0.00 O ATOM 0 H SER A 113 -12.609 17.559 8.927 1.00 0.00 H new ATOM 0 HA SER A 113 -12.366 19.032 11.339 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.327 19.213 9.889 1.00 0.00 H new ATOM 0 HB3 SER A 113 -14.700 17.512 10.090 1.00 0.00 H new ATOM 0 HG SER A 113 -15.961 18.861 11.510 1.00 0.00 H new ATOM 1591 N GLU A 114 -12.760 15.799 11.727 1.00 0.00 N ATOM 1592 CA GLU A 114 -12.719 14.728 12.761 1.00 0.00 C ATOM 1593 C GLU A 114 -11.331 14.695 13.405 1.00 0.00 C ATOM 1594 O GLU A 114 -11.195 14.526 14.601 1.00 0.00 O ATOM 1595 CB GLU A 114 -13.012 13.376 12.108 1.00 0.00 C ATOM 1596 CG GLU A 114 -14.436 13.376 11.550 1.00 0.00 C ATOM 1597 CD GLU A 114 -14.753 12.002 10.957 1.00 0.00 C ATOM 1598 OE1 GLU A 114 -13.840 11.201 10.848 1.00 0.00 O ATOM 1599 OE2 GLU A 114 -15.904 11.775 10.621 1.00 0.00 O ATOM 0 H GLU A 114 -12.770 15.471 10.761 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.469 14.931 13.525 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.297 13.184 11.308 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.896 12.575 12.838 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.147 13.615 12.340 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.538 14.146 10.785 1.00 0.00 H new ATOM 1606 N ILE A 115 -10.300 14.857 12.622 1.00 0.00 N ATOM 1607 CA ILE A 115 -8.922 14.836 13.190 1.00 0.00 C ATOM 1608 C ILE A 115 -8.705 16.086 14.045 1.00 0.00 C ATOM 1609 O ILE A 115 -8.116 16.029 15.107 1.00 0.00 O ATOM 1610 CB ILE A 115 -7.900 14.811 12.052 1.00 0.00 C ATOM 1611 CG1 ILE A 115 -8.048 13.509 11.260 1.00 0.00 C ATOM 1612 CG2 ILE A 115 -6.488 14.898 12.633 1.00 0.00 C ATOM 1613 CD1 ILE A 115 -7.324 13.643 9.919 1.00 0.00 C ATOM 0 H ILE A 115 -10.352 15.003 11.614 1.00 0.00 H new ATOM 0 HA ILE A 115 -8.797 13.947 13.808 1.00 0.00 H new ATOM 0 HB ILE A 115 -8.073 15.659 11.390 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.633 12.676 11.828 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.103 13.289 11.096 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -5.759 14.880 11.823 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.383 15.826 13.195 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.314 14.050 13.296 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -7.429 12.716 9.355 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -7.759 14.465 9.351 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.267 13.843 10.095 1.00 0.00 H new ATOM 1625 N ARG A 116 -9.180 17.215 13.595 1.00 0.00 N ATOM 1626 CA ARG A 116 -9.003 18.467 14.384 1.00 0.00 C ATOM 1627 C ARG A 116 -9.546 18.252 15.801 1.00 0.00 C ATOM 1628 O ARG A 116 -8.928 18.628 16.777 1.00 0.00 O ATOM 1629 CB ARG A 116 -9.767 19.609 13.702 1.00 0.00 C ATOM 1630 CG ARG A 116 -9.968 20.764 14.688 1.00 0.00 C ATOM 1631 CD ARG A 116 -10.181 22.068 13.915 1.00 0.00 C ATOM 1632 NE ARG A 116 -11.556 22.084 13.341 1.00 0.00 N ATOM 1633 CZ ARG A 116 -12.311 23.140 13.484 1.00 0.00 C ATOM 1634 NH1 ARG A 116 -13.066 23.264 14.542 1.00 0.00 N ATOM 1635 NH2 ARG A 116 -12.311 24.071 12.569 1.00 0.00 N ATOM 0 H ARG A 116 -9.683 17.325 12.715 1.00 0.00 H new ATOM 0 HA ARG A 116 -7.945 18.724 14.438 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -9.215 19.957 12.829 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -10.733 19.251 13.347 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -10.828 20.564 15.328 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -9.099 20.854 15.340 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -10.041 22.923 14.577 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -9.442 22.157 13.119 1.00 0.00 H new ATOM 0 HE ARG A 116 -11.908 21.270 12.836 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -13.066 22.536 15.257 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -13.656 24.089 14.654 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -11.721 23.974 11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -12.901 24.896 12.681 1.00 0.00 H new ATOM 1649 N SER A 117 -10.698 17.653 15.917 1.00 0.00 N ATOM 1650 CA SER A 117 -11.281 17.415 17.267 1.00 0.00 C ATOM 1651 C SER A 117 -10.506 16.299 17.970 1.00 0.00 C ATOM 1652 O SER A 117 -10.339 16.310 19.174 1.00 0.00 O ATOM 1653 CB SER A 117 -12.749 17.005 17.122 1.00 0.00 C ATOM 1654 OG SER A 117 -12.823 15.722 16.521 1.00 0.00 O ATOM 0 H SER A 117 -11.261 17.318 15.135 1.00 0.00 H new ATOM 0 HA SER A 117 -11.215 18.329 17.858 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.232 16.989 18.099 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.284 17.735 16.514 1.00 0.00 H new ATOM 0 HG SER A 117 -12.119 15.637 15.844 1.00 0.00 H new ATOM 1660 N LEU A 118 -10.032 15.335 17.230 1.00 0.00 N ATOM 1661 CA LEU A 118 -9.271 14.219 17.858 1.00 0.00 C ATOM 1662 C LEU A 118 -7.939 14.744 18.400 1.00 0.00 C ATOM 1663 O LEU A 118 -7.519 14.393 19.485 1.00 0.00 O ATOM 1664 CB LEU A 118 -9.004 13.133 16.815 1.00 0.00 C ATOM 1665 CG LEU A 118 -10.295 12.360 16.539 1.00 0.00 C ATOM 1666 CD1 LEU A 118 -9.999 11.190 15.599 1.00 0.00 C ATOM 1667 CD2 LEU A 118 -10.862 11.826 17.856 1.00 0.00 C ATOM 0 H LEU A 118 -10.139 15.272 16.218 1.00 0.00 H new ATOM 0 HA LEU A 118 -9.855 13.801 18.678 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.633 13.582 15.894 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.230 12.453 17.172 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.023 13.024 16.073 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -10.919 10.639 15.403 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.596 11.570 14.660 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -9.271 10.525 16.064 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -11.782 11.275 17.659 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.134 11.162 18.323 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.074 12.660 18.525 1.00 0.00 H new ATOM 1679 N ILE A 119 -7.269 15.582 17.655 1.00 0.00 N ATOM 1680 CA ILE A 119 -5.965 16.123 18.134 1.00 0.00 C ATOM 1681 C ILE A 119 -6.172 16.838 19.471 1.00 0.00 C ATOM 1682 O ILE A 119 -5.357 16.745 20.368 1.00 0.00 O ATOM 1683 CB ILE A 119 -5.409 17.111 17.107 1.00 0.00 C ATOM 1684 CG1 ILE A 119 -5.216 16.400 15.765 1.00 0.00 C ATOM 1685 CG2 ILE A 119 -4.062 17.649 17.594 1.00 0.00 C ATOM 1686 CD1 ILE A 119 -5.056 17.440 14.655 1.00 0.00 C ATOM 0 H ILE A 119 -7.568 15.914 16.738 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.259 15.303 18.264 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.109 17.937 16.984 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -4.337 15.757 15.805 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -6.071 15.758 15.555 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.665 18.353 16.862 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -4.197 18.156 18.550 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -3.363 16.822 17.717 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.919 16.934 13.699 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -5.948 18.064 14.610 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -4.187 18.064 14.863 1.00 0.00 H new ATOM 1698 N GLY A 120 -7.256 17.550 19.613 1.00 0.00 N ATOM 1699 CA GLY A 120 -7.514 18.268 20.893 1.00 0.00 C ATOM 1700 C GLY A 120 -7.671 17.250 22.024 1.00 0.00 C ATOM 1701 O GLY A 120 -7.282 17.493 23.149 1.00 0.00 O ATOM 0 H GLY A 120 -7.974 17.666 18.898 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -6.692 18.949 21.113 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -8.416 18.875 20.807 1.00 0.00 H new ATOM 1705 N MET A 121 -8.239 16.110 21.735 1.00 0.00 N ATOM 1706 CA MET A 121 -8.421 15.078 22.794 1.00 0.00 C ATOM 1707 C MET A 121 -7.050 14.573 23.251 1.00 0.00 C ATOM 1708 O MET A 121 -6.830 14.320 24.419 1.00 0.00 O ATOM 1709 CB MET A 121 -9.234 13.909 22.233 1.00 0.00 C ATOM 1710 CG MET A 121 -9.442 12.863 23.330 1.00 0.00 C ATOM 1711 SD MET A 121 -10.788 13.389 24.419 1.00 0.00 S ATOM 1712 CE MET A 121 -12.050 12.259 23.782 1.00 0.00 C ATOM 0 H MET A 121 -8.584 15.850 20.811 1.00 0.00 H new ATOM 0 HA MET A 121 -8.950 15.514 23.641 1.00 0.00 H new ATOM 0 HB2 MET A 121 -10.197 14.264 21.866 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.714 13.464 21.385 1.00 0.00 H new ATOM 0 HG2 MET A 121 -9.677 11.896 22.885 1.00 0.00 H new ATOM 0 HG3 MET A 121 -8.524 12.735 23.904 1.00 0.00 H new ATOM 0 HE1 MET A 121 -12.984 12.414 24.323 1.00 0.00 H new ATOM 0 HE2 MET A 121 -12.209 12.452 22.721 1.00 0.00 H new ATOM 0 HE3 MET A 121 -11.719 11.230 23.918 1.00 0.00 H new ATOM 1722 N PHE A 122 -6.129 14.424 22.340 1.00 0.00 N ATOM 1723 CA PHE A 122 -4.774 13.935 22.724 1.00 0.00 C ATOM 1724 C PHE A 122 -4.073 14.995 23.575 1.00 0.00 C ATOM 1725 O PHE A 122 -3.394 14.684 24.533 1.00 0.00 O ATOM 1726 CB PHE A 122 -3.952 13.669 21.461 1.00 0.00 C ATOM 1727 CG PHE A 122 -4.531 12.485 20.723 1.00 0.00 C ATOM 1728 CD1 PHE A 122 -4.321 11.188 21.207 1.00 0.00 C ATOM 1729 CD2 PHE A 122 -5.279 12.685 19.558 1.00 0.00 C ATOM 1730 CE1 PHE A 122 -4.857 10.091 20.523 1.00 0.00 C ATOM 1731 CE2 PHE A 122 -5.816 11.587 18.874 1.00 0.00 C ATOM 1732 CZ PHE A 122 -5.606 10.290 19.357 1.00 0.00 C ATOM 0 H PHE A 122 -6.255 14.619 21.347 1.00 0.00 H new ATOM 0 HA PHE A 122 -4.868 13.013 23.297 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -3.957 14.550 20.819 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -2.913 13.474 21.725 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -3.746 11.034 22.108 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.442 13.686 19.186 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -4.693 9.090 20.895 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.392 11.741 17.974 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.021 9.443 18.831 1.00 0.00 H new ATOM 1742 N ALA A 123 -4.232 16.245 23.234 1.00 0.00 N ATOM 1743 CA ALA A 123 -3.573 17.321 24.026 1.00 0.00 C ATOM 1744 C ALA A 123 -4.127 17.315 25.452 1.00 0.00 C ATOM 1745 O ALA A 123 -3.439 17.642 26.398 1.00 0.00 O ATOM 1746 CB ALA A 123 -3.850 18.678 23.376 1.00 0.00 C ATOM 0 H ALA A 123 -4.789 16.567 22.442 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.498 17.146 24.053 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -3.367 19.465 23.956 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.455 18.682 22.360 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.925 18.855 23.348 1.00 0.00 H new