USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 781 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 69 ASN : amide:sc= -0.929 K(o=-0.63,f=0.75) USER MOD Set 1.2: A 85 SER OG : rot 77:sc= 0.3 USER MOD Set 2.1: A 23 MET CE :methyl 180:sc= -0.936 (180deg=0) USER MOD Set 2.2: A 38 ASN : amide:sc= -4.78! C(o=-4.6!,f=-8.8!) USER MOD Set 2.3: A 83 TYR OH : rot -93:sc= 1.12 USER MOD Set 3.1: A 43 SER OG : rot 140:sc= -0.0402 USER MOD Set 3.2: A 44 SER OG : rot 52:sc= 0.905 USER MOD Set 3.3: A 47 THR OG1 : rot 7:sc= 1.51 USER MOD Set 4.1: A 2 ASN : amide:sc= -1.75 K(o=-1.7,f=-0.86) USER MOD Set 4.2: A 5 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 7 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.5!) USER MOD Single : A 8 GLN : amide:sc=-0.00713 X(o=-0.0071,f=-0.27) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -16.6! C(o=-17!,f=-21!) USER MOD Single : A 13 ASN : amide:sc= -0.0167 K(o=-0.017,f=-1.1) USER MOD Single : A 14 THR OG1 : rot 56:sc= -0.947 USER MOD Single : A 18 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.7!) USER MOD Single : A 20 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.5) USER MOD Single : A 21 THR OG1 : rot 60:sc= -2.22 USER MOD Single : A 25 ASN : amide:sc= -4.03! C(o=-4!,f=-11!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0262) USER MOD Single : A 53 THR OG1 : rot 74:sc= 0.648 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.416 K(o=-0.42,f=-2.4) USER MOD Single : A 62 SER OG : rot -160:sc= -0.0515 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.41) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.737 USER MOD Single : A 84 SER OG : rot -140:sc= -0.442 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 160:sc= -0.563 USER MOD Single : A 90 ASN : amide:sc= -1.89 K(o=-1.9,f=-4.8!) USER MOD Single : A 91 TYR OH : rot 0:sc= -3.65! USER MOD Single : A 93 CYS SG : rot 22:sc= -1.55 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0294 X(o=-0.029,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 100 TYR OH : rot 60:sc= -1.39! USER MOD Single : A 103 HIS : no HE2:sc= -7.68! C(o=-7.7!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 2 -2.675 0.733 7.802 1.00 12.00 N ATOM 16 CA ASN A 2 -2.111 -0.652 7.845 1.00 12.00 C ATOM 17 C ASN A 2 -2.336 -1.315 6.474 1.00 12.00 C ATOM 18 O ASN A 2 -3.196 -0.901 5.719 1.00 12.00 O ATOM 19 CB ASN A 2 -2.805 -1.433 8.976 1.00 12.00 C ATOM 20 CG ASN A 2 -2.387 -2.910 8.958 1.00 12.00 C ATOM 21 OD1 ASN A 2 -1.215 -3.221 9.038 1.00 12.00 O ATOM 22 ND2 ASN A 2 -3.304 -3.837 8.873 1.00 12.00 N ATOM 0 HA ASN A 2 -1.040 -0.639 8.048 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -2.550 -0.990 9.939 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -3.887 -1.356 8.866 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -3.036 -4.821 8.874 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -4.288 -3.576 8.806 1.00 12.00 H new ATOM 29 N TRP A 3 -1.542 -2.312 6.148 1.00 12.00 N ATOM 30 CA TRP A 3 -1.652 -3.004 4.808 1.00 12.00 C ATOM 31 C TRP A 3 -2.970 -3.814 4.719 1.00 12.00 C ATOM 32 O TRP A 3 -3.606 -3.829 3.686 1.00 12.00 O ATOM 33 CB TRP A 3 -0.450 -3.953 4.634 1.00 12.00 C ATOM 34 CG TRP A 3 0.253 -3.776 3.312 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.572 -3.494 3.208 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.244 -3.904 1.934 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.925 -3.463 1.875 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.848 -3.705 1.049 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.505 -4.171 1.362 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.699 -3.782 -0.337 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -1.657 -4.246 -0.036 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.556 -4.055 -0.884 1.00 12.00 C ATOM 0 H TRP A 3 -0.813 -2.683 6.757 1.00 12.00 H new ATOM 0 HA TRP A 3 -1.654 -2.253 4.018 1.00 12.00 H new ATOM 0 HB2 TRP A 3 0.261 -3.783 5.443 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -0.792 -4.984 4.722 1.00 12.00 H new ATOM 0 HD1 TRP A 3 2.242 -3.321 4.037 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.871 -3.282 1.540 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.362 -4.319 2.002 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.551 -3.631 -0.983 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -2.629 -4.452 -0.459 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -0.679 -4.119 -1.955 1.00 12.00 H new ATOM 53 N ALA A 4 -3.365 -4.501 5.783 1.00 12.00 N ATOM 54 CA ALA A 4 -4.629 -5.338 5.755 1.00 12.00 C ATOM 55 C ALA A 4 -5.877 -4.450 5.606 1.00 12.00 C ATOM 56 O ALA A 4 -6.673 -4.618 4.682 1.00 12.00 O ATOM 57 CB ALA A 4 -4.729 -6.145 7.055 1.00 12.00 C ATOM 0 H ALA A 4 -2.865 -4.518 6.672 1.00 12.00 H new ATOM 0 HA ALA A 4 -4.582 -6.010 4.898 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -5.636 -6.749 7.040 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -3.861 -6.798 7.146 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -4.761 -5.463 7.905 1.00 12.00 H new ATOM 63 N THR A 5 -6.049 -3.510 6.511 1.00 12.00 N ATOM 64 CA THR A 5 -7.224 -2.582 6.450 1.00 12.00 C ATOM 65 C THR A 5 -7.126 -1.785 5.152 1.00 12.00 C ATOM 66 O THR A 5 -8.132 -1.439 4.553 1.00 12.00 O ATOM 67 CB THR A 5 -7.225 -1.623 7.654 1.00 12.00 C ATOM 68 OG1 THR A 5 -6.624 -2.253 8.781 1.00 12.00 O ATOM 69 CG2 THR A 5 -8.667 -1.234 7.999 1.00 12.00 C ATOM 0 H THR A 5 -5.418 -3.347 7.296 1.00 12.00 H new ATOM 0 HA THR A 5 -8.150 -3.156 6.480 1.00 12.00 H new ATOM 0 HB THR A 5 -6.655 -0.730 7.396 1.00 12.00 H new ATOM 0 HG1 THR A 5 -6.627 -1.635 9.542 1.00 12.00 H new ATOM 0 HG21 THR A 5 -8.667 -0.555 8.852 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.126 -0.740 7.142 1.00 12.00 H new ATOM 0 HG23 THR A 5 -9.236 -2.130 8.249 1.00 12.00 H new ATOM 77 N PHE A 6 -5.911 -1.526 4.702 1.00 12.00 N ATOM 78 CA PHE A 6 -5.718 -0.787 3.423 1.00 12.00 C ATOM 79 C PHE A 6 -6.082 -1.714 2.260 1.00 12.00 C ATOM 80 O PHE A 6 -6.472 -1.254 1.206 1.00 12.00 O ATOM 81 CB PHE A 6 -4.278 -0.313 3.287 1.00 12.00 C ATOM 82 CG PHE A 6 -4.092 0.325 1.924 1.00 12.00 C ATOM 83 CD1 PHE A 6 -3.726 -0.485 0.846 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.304 1.704 1.729 1.00 12.00 C ATOM 85 CE1 PHE A 6 -3.565 0.066 -0.421 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.148 2.255 0.457 1.00 12.00 C ATOM 87 CZ PHE A 6 -3.775 1.433 -0.619 1.00 12.00 C ATOM 0 H PHE A 6 -5.049 -1.800 5.174 1.00 12.00 H new ATOM 0 HA PHE A 6 -6.362 0.092 3.412 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.042 0.404 4.073 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -3.593 -1.153 3.406 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -3.568 -1.543 0.997 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.586 2.332 2.561 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -3.278 -0.562 -1.251 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.314 3.311 0.300 1.00 12.00 H new ATOM 0 HZ PHE A 6 -3.650 1.859 -1.603 1.00 12.00 H new ATOM 97 N GLN A 7 -5.979 -3.017 2.452 1.00 12.00 N ATOM 98 CA GLN A 7 -6.343 -3.985 1.360 1.00 12.00 C ATOM 99 C GLN A 7 -7.755 -3.646 0.909 1.00 12.00 C ATOM 100 O GLN A 7 -8.063 -3.662 -0.267 1.00 12.00 O ATOM 101 CB GLN A 7 -6.287 -5.429 1.872 1.00 12.00 C ATOM 102 CG GLN A 7 -6.287 -6.394 0.682 1.00 12.00 C ATOM 103 CD GLN A 7 -7.706 -6.912 0.438 1.00 12.00 C ATOM 104 OE1 GLN A 7 -8.551 -6.194 -0.060 1.00 12.00 O ATOM 105 NE2 GLN A 7 -8.004 -8.139 0.769 1.00 12.00 N ATOM 0 H GLN A 7 -5.658 -3.449 3.319 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.638 -3.903 0.532 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -5.391 -5.578 2.474 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -7.142 -5.631 2.517 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -5.916 -5.888 -0.209 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -5.614 -7.228 0.878 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -7.295 -8.741 1.187 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -8.946 -8.496 0.610 1.00 12.00 H new ATOM 114 N GLN A 8 -8.587 -3.271 1.853 1.00 12.00 N ATOM 115 CA GLN A 8 -9.972 -2.844 1.503 1.00 12.00 C ATOM 116 C GLN A 8 -9.874 -1.435 0.901 1.00 12.00 C ATOM 117 O GLN A 8 -10.542 -1.113 -0.073 1.00 12.00 O ATOM 118 CB GLN A 8 -10.849 -2.814 2.764 1.00 12.00 C ATOM 119 CG GLN A 8 -11.900 -3.924 2.690 1.00 12.00 C ATOM 120 CD GLN A 8 -13.017 -3.636 3.694 1.00 12.00 C ATOM 121 OE1 GLN A 8 -14.113 -3.277 3.315 1.00 12.00 O ATOM 122 NE2 GLN A 8 -12.782 -3.778 4.970 1.00 12.00 N ATOM 0 H GLN A 8 -8.363 -3.244 2.848 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.423 -3.539 0.794 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.230 -2.945 3.652 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.337 -1.844 2.856 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.310 -3.985 1.682 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -11.441 -4.889 2.907 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -11.861 -4.080 5.289 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -13.519 -3.587 5.649 1.00 12.00 H new ATOM 131 N LYS A 9 -9.029 -0.602 1.492 1.00 12.00 N ATOM 132 CA LYS A 9 -8.834 0.814 1.022 1.00 12.00 C ATOM 133 C LYS A 9 -8.744 0.901 -0.516 1.00 12.00 C ATOM 134 O LYS A 9 -9.580 1.542 -1.133 1.00 12.00 O ATOM 135 CB LYS A 9 -7.576 1.420 1.687 1.00 12.00 C ATOM 136 CG LYS A 9 -7.477 2.908 1.353 1.00 12.00 C ATOM 137 CD LYS A 9 -8.350 3.705 2.327 1.00 12.00 C ATOM 138 CE LYS A 9 -8.506 5.144 1.827 1.00 12.00 C ATOM 139 NZ LYS A 9 -9.933 5.556 1.941 1.00 12.00 N ATOM 0 H LYS A 9 -8.457 -0.856 2.297 1.00 12.00 H new ATOM 0 HA LYS A 9 -9.707 1.394 1.321 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -7.623 1.283 2.767 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -6.684 0.900 1.339 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -6.441 3.239 1.421 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -7.802 3.085 0.328 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -9.329 3.235 2.420 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -7.899 3.702 3.319 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -7.875 5.814 2.411 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -8.176 5.218 0.791 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -10.040 6.533 1.602 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -10.524 4.923 1.366 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -10.232 5.500 2.935 1.00 12.00 H new ATOM 153 N HIS A 10 -7.758 0.273 -1.140 1.00 12.00 N ATOM 154 CA HIS A 10 -7.648 0.340 -2.638 1.00 12.00 C ATOM 155 C HIS A 10 -8.214 -0.914 -3.302 1.00 12.00 C ATOM 156 O HIS A 10 -8.264 -0.971 -4.521 1.00 12.00 O ATOM 157 CB HIS A 10 -6.188 0.476 -3.082 1.00 12.00 C ATOM 158 CG HIS A 10 -5.706 1.876 -2.874 1.00 12.00 C ATOM 159 ND1 HIS A 10 -6.042 2.614 -1.753 1.00 12.00 N ATOM 160 CD2 HIS A 10 -4.857 2.667 -3.607 1.00 12.00 C ATOM 161 CE1 HIS A 10 -5.394 3.789 -1.835 1.00 12.00 C ATOM 162 NE2 HIS A 10 -4.660 3.876 -2.948 1.00 12.00 N ATOM 0 H HIS A 10 -7.034 -0.276 -0.677 1.00 12.00 H new ATOM 0 HA HIS A 10 -8.222 1.215 -2.944 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -5.564 -0.217 -2.518 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -6.095 0.205 -4.134 1.00 12.00 H new ATOM 0 HD1 HIS A 10 -6.667 2.320 -1.002 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -4.410 2.393 -4.551 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -5.459 4.569 -1.091 1.00 12.00 H new ATOM 170 N ILE A 11 -8.585 -1.936 -2.547 1.00 12.00 N ATOM 171 CA ILE A 11 -9.077 -3.183 -3.216 1.00 12.00 C ATOM 172 C ILE A 11 -10.361 -3.751 -2.580 1.00 12.00 C ATOM 173 O ILE A 11 -10.338 -4.758 -1.879 1.00 12.00 O ATOM 174 CB ILE A 11 -7.965 -4.247 -3.190 1.00 12.00 C ATOM 175 CG1 ILE A 11 -6.634 -3.631 -3.670 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.356 -5.427 -4.090 1.00 12.00 C ATOM 177 CD1 ILE A 11 -6.746 -3.173 -5.131 1.00 12.00 C ATOM 0 H ILE A 11 -8.567 -1.956 -1.527 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.332 -2.917 -4.242 1.00 12.00 H new ATOM 0 HB ILE A 11 -7.837 -4.606 -2.169 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.370 -2.784 -3.037 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -5.832 -4.363 -3.573 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.566 -6.178 -4.069 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -9.285 -5.868 -3.729 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.494 -5.075 -5.112 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -5.797 -2.742 -5.451 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -6.987 -4.028 -5.763 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -7.533 -2.424 -5.218 1.00 12.00 H new ATOM 189 N ILE A 12 -11.489 -3.155 -2.898 1.00 12.00 N ATOM 190 CA ILE A 12 -12.797 -3.689 -2.418 1.00 12.00 C ATOM 191 C ILE A 12 -13.311 -4.581 -3.561 1.00 12.00 C ATOM 192 O ILE A 12 -14.303 -4.282 -4.204 1.00 12.00 O ATOM 193 CB ILE A 12 -13.783 -2.540 -2.157 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.171 -1.539 -1.178 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.074 -3.103 -1.562 1.00 12.00 C ATOM 196 CD1 ILE A 12 -12.416 -0.456 -1.952 1.00 12.00 C ATOM 0 H ILE A 12 -11.555 -2.316 -3.474 1.00 12.00 H new ATOM 0 HA ILE A 12 -12.693 -4.239 -1.483 1.00 12.00 H new ATOM 0 HB ILE A 12 -14.000 -2.035 -3.098 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -13.954 -1.086 -0.569 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -12.493 -2.051 -0.495 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -15.774 -2.289 -1.376 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -15.518 -3.811 -2.261 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -14.851 -3.611 -0.624 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -11.981 0.256 -1.251 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -11.623 -0.916 -2.541 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -13.106 0.064 -2.616 1.00 12.00 H new ATOM 208 N ASN A 13 -12.589 -5.655 -3.839 1.00 12.00 N ATOM 209 CA ASN A 13 -12.953 -6.575 -4.969 1.00 12.00 C ATOM 210 C ASN A 13 -14.301 -7.254 -4.692 1.00 12.00 C ATOM 211 O ASN A 13 -14.368 -8.366 -4.182 1.00 12.00 O ATOM 212 CB ASN A 13 -11.862 -7.636 -5.166 1.00 12.00 C ATOM 213 CG ASN A 13 -11.887 -8.100 -6.622 1.00 12.00 C ATOM 214 OD1 ASN A 13 -12.917 -8.503 -7.124 1.00 12.00 O ATOM 215 ND2 ASN A 13 -10.792 -8.055 -7.330 1.00 12.00 N ATOM 0 H ASN A 13 -11.755 -5.931 -3.321 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.038 -5.984 -5.881 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -10.884 -7.223 -4.918 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -12.031 -8.480 -4.497 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -10.802 -8.358 -8.304 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -9.926 -7.717 -6.910 1.00 12.00 H new ATOM 222 N THR A 14 -15.367 -6.578 -5.041 1.00 12.00 N ATOM 223 CA THR A 14 -16.748 -7.117 -4.847 1.00 12.00 C ATOM 224 C THR A 14 -17.685 -6.317 -5.785 1.00 12.00 C ATOM 225 O THR A 14 -18.475 -5.507 -5.323 1.00 12.00 O ATOM 226 CB THR A 14 -17.162 -6.945 -3.375 1.00 12.00 C ATOM 227 OG1 THR A 14 -16.751 -5.665 -2.914 1.00 12.00 O ATOM 228 CG2 THR A 14 -16.505 -8.036 -2.525 1.00 12.00 C ATOM 0 H THR A 14 -15.336 -5.650 -5.464 1.00 12.00 H new ATOM 0 HA THR A 14 -16.801 -8.179 -5.085 1.00 12.00 H new ATOM 0 HB THR A 14 -18.245 -7.029 -3.290 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.125 -4.972 -3.497 1.00 12.00 H new ATOM 0 HG21 THR A 14 -16.800 -7.912 -1.483 1.00 12.00 H new ATOM 0 HG22 THR A 14 -16.826 -9.016 -2.879 1.00 12.00 H new ATOM 0 HG23 THR A 14 -15.421 -7.958 -2.607 1.00 12.00 H new ATOM 236 N PRO A 15 -17.552 -6.534 -7.096 1.00 12.00 N ATOM 237 CA PRO A 15 -18.361 -5.811 -8.108 1.00 12.00 C ATOM 238 C PRO A 15 -19.784 -6.388 -8.271 1.00 12.00 C ATOM 239 O PRO A 15 -20.361 -6.303 -9.345 1.00 12.00 O ATOM 240 CB PRO A 15 -17.558 -5.988 -9.402 1.00 12.00 C ATOM 241 CG PRO A 15 -16.679 -7.244 -9.210 1.00 12.00 C ATOM 242 CD PRO A 15 -16.588 -7.499 -7.695 1.00 12.00 C ATOM 0 HA PRO A 15 -18.518 -4.771 -7.823 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -18.223 -6.108 -10.257 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -16.942 -5.111 -9.598 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -17.116 -8.102 -9.720 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -15.688 -7.090 -9.636 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -16.852 -8.528 -7.449 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -15.577 -7.332 -7.324 1.00 12.00 H new ATOM 250 N ILE A 16 -20.362 -6.944 -7.223 1.00 12.00 N ATOM 251 CA ILE A 16 -21.751 -7.495 -7.317 1.00 12.00 C ATOM 252 C ILE A 16 -22.722 -6.336 -7.598 1.00 12.00 C ATOM 253 O ILE A 16 -22.300 -5.229 -7.894 1.00 12.00 O ATOM 254 CB ILE A 16 -22.113 -8.182 -5.995 1.00 12.00 C ATOM 255 CG1 ILE A 16 -21.853 -7.223 -4.832 1.00 12.00 C ATOM 256 CG2 ILE A 16 -21.252 -9.433 -5.814 1.00 12.00 C ATOM 257 CD1 ILE A 16 -22.705 -7.633 -3.630 1.00 12.00 C ATOM 0 H ILE A 16 -19.925 -7.037 -6.306 1.00 12.00 H new ATOM 0 HA ILE A 16 -21.816 -8.226 -8.123 1.00 12.00 H new ATOM 0 HB ILE A 16 -23.166 -8.461 -6.013 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -20.797 -7.238 -4.564 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -22.092 -6.202 -5.129 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -21.511 -9.920 -4.874 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -21.431 -10.121 -6.640 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -20.199 -9.151 -5.799 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -22.519 -6.949 -2.802 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -23.760 -7.595 -3.902 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -22.444 -8.647 -3.328 1.00 12.00 H new ATOM 269 N ILE A 17 -24.014 -6.586 -7.508 1.00 12.00 N ATOM 270 CA ILE A 17 -25.028 -5.506 -7.771 1.00 12.00 C ATOM 271 C ILE A 17 -25.539 -4.947 -6.434 1.00 12.00 C ATOM 272 O ILE A 17 -26.687 -4.551 -6.303 1.00 12.00 O ATOM 273 CB ILE A 17 -26.190 -6.073 -8.606 1.00 12.00 C ATOM 274 CG1 ILE A 17 -26.721 -7.357 -7.960 1.00 12.00 C ATOM 275 CG2 ILE A 17 -25.706 -6.374 -10.032 1.00 12.00 C ATOM 276 CD1 ILE A 17 -27.983 -7.808 -8.698 1.00 12.00 C ATOM 0 H ILE A 17 -24.409 -7.494 -7.263 1.00 12.00 H new ATOM 0 HA ILE A 17 -24.564 -4.696 -8.334 1.00 12.00 H new ATOM 0 HB ILE A 17 -26.992 -5.336 -8.645 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -25.963 -8.139 -8.001 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -26.944 -7.183 -6.907 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -26.532 -6.775 -10.619 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -25.344 -5.456 -10.495 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -24.898 -7.105 -9.995 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -28.364 -8.721 -8.242 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -28.741 -7.027 -8.634 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -27.744 -7.997 -9.745 1.00 12.00 H new ATOM 288 N ASN A 18 -24.668 -4.907 -5.449 1.00 12.00 N ATOM 289 CA ASN A 18 -25.040 -4.369 -4.094 1.00 12.00 C ATOM 290 C ASN A 18 -23.824 -3.647 -3.502 1.00 12.00 C ATOM 291 O ASN A 18 -22.920 -4.276 -2.979 1.00 12.00 O ATOM 292 CB ASN A 18 -25.458 -5.529 -3.179 1.00 12.00 C ATOM 293 CG ASN A 18 -26.504 -6.391 -3.890 1.00 12.00 C ATOM 294 OD1 ASN A 18 -26.289 -7.567 -4.117 1.00 12.00 O ATOM 295 ND2 ASN A 18 -27.636 -5.852 -4.248 1.00 12.00 N ATOM 0 H ASN A 18 -23.703 -5.228 -5.526 1.00 12.00 H new ATOM 0 HA ASN A 18 -25.874 -3.672 -4.182 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -24.588 -6.133 -2.921 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -25.865 -5.141 -2.245 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -28.343 -6.416 -4.719 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -27.814 -4.866 -4.057 1.00 12.00 H new ATOM 302 N CYS A 19 -23.792 -2.331 -3.609 1.00 12.00 N ATOM 303 CA CYS A 19 -22.615 -1.547 -3.078 1.00 12.00 C ATOM 304 C CYS A 19 -22.678 -1.406 -1.551 1.00 12.00 C ATOM 305 O CYS A 19 -21.670 -1.113 -0.937 1.00 12.00 O ATOM 306 CB CYS A 19 -22.559 -0.138 -3.705 1.00 12.00 C ATOM 307 SG CYS A 19 -22.528 -0.264 -5.510 1.00 12.00 S ATOM 0 H CYS A 19 -24.526 -1.768 -4.039 1.00 12.00 H new ATOM 0 HA CYS A 19 -21.718 -2.103 -3.349 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -23.424 0.445 -3.388 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.673 0.390 -3.354 1.00 12.00 H new ATOM 312 N ASN A 20 -23.833 -1.604 -0.934 1.00 12.00 N ATOM 313 CA ASN A 20 -23.924 -1.458 0.568 1.00 12.00 C ATOM 314 C ASN A 20 -23.418 -2.730 1.251 1.00 12.00 C ATOM 315 O ASN A 20 -22.612 -2.671 2.166 1.00 12.00 O ATOM 316 CB ASN A 20 -25.376 -1.180 0.993 1.00 12.00 C ATOM 317 CG ASN A 20 -26.333 -2.158 0.306 1.00 12.00 C ATOM 318 OD1 ASN A 20 -26.543 -3.257 0.780 1.00 12.00 O ATOM 319 ND2 ASN A 20 -26.935 -1.796 -0.793 1.00 12.00 N ATOM 0 H ASN A 20 -24.705 -1.857 -1.399 1.00 12.00 H new ATOM 0 HA ASN A 20 -23.301 -0.617 0.873 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -25.468 -1.272 2.075 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -25.647 -0.156 0.736 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -27.582 -2.435 -1.254 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -26.759 -0.874 -1.191 1.00 12.00 H new ATOM 326 N THR A 21 -23.888 -3.870 0.808 1.00 12.00 N ATOM 327 CA THR A 21 -23.463 -5.179 1.405 1.00 12.00 C ATOM 328 C THR A 21 -21.946 -5.337 1.288 1.00 12.00 C ATOM 329 O THR A 21 -21.321 -5.952 2.138 1.00 12.00 O ATOM 330 CB THR A 21 -24.155 -6.343 0.665 1.00 12.00 C ATOM 331 OG1 THR A 21 -24.431 -5.973 -0.679 1.00 12.00 O ATOM 332 CG2 THR A 21 -25.465 -6.705 1.371 1.00 12.00 C ATOM 0 H THR A 21 -24.560 -3.952 0.045 1.00 12.00 H new ATOM 0 HA THR A 21 -23.750 -5.196 2.457 1.00 12.00 H new ATOM 0 HB THR A 21 -23.489 -7.206 0.671 1.00 12.00 H new ATOM 0 HG1 THR A 21 -23.593 -5.753 -1.136 1.00 12.00 H new ATOM 0 HG21 THR A 21 -25.948 -7.527 0.843 1.00 12.00 H new ATOM 0 HG22 THR A 21 -25.254 -7.007 2.397 1.00 12.00 H new ATOM 0 HG23 THR A 21 -26.127 -5.839 1.376 1.00 12.00 H new ATOM 340 N ILE A 22 -21.355 -4.793 0.242 1.00 12.00 N ATOM 341 CA ILE A 22 -19.874 -4.911 0.054 1.00 12.00 C ATOM 342 C ILE A 22 -19.146 -3.880 0.925 1.00 12.00 C ATOM 343 O ILE A 22 -18.066 -4.152 1.427 1.00 12.00 O ATOM 344 CB ILE A 22 -19.509 -4.699 -1.421 1.00 12.00 C ATOM 345 CG1 ILE A 22 -19.983 -3.321 -1.891 1.00 12.00 C ATOM 346 CG2 ILE A 22 -20.180 -5.776 -2.274 1.00 12.00 C ATOM 347 CD1 ILE A 22 -19.437 -3.054 -3.297 1.00 12.00 C ATOM 0 H ILE A 22 -21.840 -4.272 -0.489 1.00 12.00 H new ATOM 0 HA ILE A 22 -19.563 -5.911 0.355 1.00 12.00 H new ATOM 0 HB ILE A 22 -18.426 -4.762 -1.527 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -21.072 -3.280 -1.897 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -19.639 -2.550 -1.202 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -19.920 -5.625 -3.322 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -19.837 -6.760 -1.954 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -21.262 -5.712 -2.156 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -19.771 -2.074 -3.637 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -18.347 -3.078 -3.275 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -19.803 -3.820 -3.981 1.00 12.00 H new ATOM 359 N MET A 23 -19.727 -2.708 1.108 1.00 12.00 N ATOM 360 CA MET A 23 -19.070 -1.656 1.950 1.00 12.00 C ATOM 361 C MET A 23 -19.676 -1.643 3.362 1.00 12.00 C ATOM 362 O MET A 23 -19.517 -0.678 4.090 1.00 12.00 O ATOM 363 CB MET A 23 -19.232 -0.275 1.287 1.00 12.00 C ATOM 364 CG MET A 23 -20.703 0.164 1.290 1.00 12.00 C ATOM 365 SD MET A 23 -20.934 1.502 2.485 1.00 12.00 S ATOM 366 CE MET A 23 -21.150 2.833 1.277 1.00 12.00 C ATOM 0 H MET A 23 -20.627 -2.440 0.709 1.00 12.00 H new ATOM 0 HA MET A 23 -18.008 -1.886 2.033 1.00 12.00 H new ATOM 0 HB2 MET A 23 -18.628 0.461 1.817 1.00 12.00 H new ATOM 0 HB3 MET A 23 -18.862 -0.313 0.263 1.00 12.00 H new ATOM 0 HG2 MET A 23 -20.996 0.497 0.294 1.00 12.00 H new ATOM 0 HG3 MET A 23 -21.344 -0.680 1.545 1.00 12.00 H new ATOM 0 HE1 MET A 23 -21.311 3.776 1.799 1.00 12.00 H new ATOM 0 HE2 MET A 23 -20.257 2.910 0.657 1.00 12.00 H new ATOM 0 HE3 MET A 23 -22.012 2.616 0.647 1.00 12.00 H new ATOM 376 N ASP A 24 -20.350 -2.711 3.748 1.00 12.00 N ATOM 377 CA ASP A 24 -20.955 -2.781 5.119 1.00 12.00 C ATOM 378 C ASP A 24 -19.809 -2.866 6.138 1.00 12.00 C ATOM 379 O ASP A 24 -19.343 -3.945 6.476 1.00 12.00 O ATOM 380 CB ASP A 24 -21.856 -4.027 5.210 1.00 12.00 C ATOM 381 CG ASP A 24 -23.287 -3.722 4.716 1.00 12.00 C ATOM 382 OD1 ASP A 24 -23.604 -2.562 4.481 1.00 12.00 O ATOM 383 OD2 ASP A 24 -24.049 -4.666 4.588 1.00 12.00 O ATOM 0 H ASP A 24 -20.505 -3.536 3.168 1.00 12.00 H new ATOM 0 HA ASP A 24 -21.563 -1.900 5.325 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -21.427 -4.833 4.614 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -21.892 -4.378 6.241 1.00 12.00 H new ATOM 388 N ASN A 25 -19.338 -1.726 6.603 1.00 12.00 N ATOM 389 CA ASN A 25 -18.204 -1.695 7.575 1.00 12.00 C ATOM 390 C ASN A 25 -18.095 -0.294 8.176 1.00 12.00 C ATOM 391 O ASN A 25 -18.579 0.669 7.603 1.00 12.00 O ATOM 392 CB ASN A 25 -16.902 -2.023 6.835 1.00 12.00 C ATOM 393 CG ASN A 25 -15.745 -2.120 7.830 1.00 12.00 C ATOM 394 OD1 ASN A 25 -14.706 -1.525 7.630 1.00 12.00 O ATOM 395 ND2 ASN A 25 -15.880 -2.855 8.898 1.00 12.00 N ATOM 0 H ASN A 25 -19.700 -0.808 6.343 1.00 12.00 H new ATOM 0 HA ASN A 25 -18.377 -2.424 8.366 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -17.008 -2.964 6.295 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -16.691 -1.252 6.094 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -15.113 -2.930 9.566 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -16.753 -3.355 9.066 1.00 12.00 H new ATOM 402 N ASN A 26 -17.453 -0.182 9.317 1.00 12.00 N ATOM 403 CA ASN A 26 -17.282 1.158 9.974 1.00 12.00 C ATOM 404 C ASN A 26 -16.252 1.997 9.200 1.00 12.00 C ATOM 405 O ASN A 26 -16.107 3.182 9.455 1.00 12.00 O ATOM 406 CB ASN A 26 -16.799 0.957 11.410 1.00 12.00 C ATOM 407 CG ASN A 26 -17.897 0.263 12.218 1.00 12.00 C ATOM 408 OD1 ASN A 26 -18.073 -0.936 12.120 1.00 12.00 O ATOM 409 ND2 ASN A 26 -18.652 0.970 13.013 1.00 12.00 N ATOM 0 H ASN A 26 -17.038 -0.964 9.824 1.00 12.00 H new ATOM 0 HA ASN A 26 -18.238 1.682 9.975 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -15.889 0.357 11.420 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -16.551 1.918 11.861 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -19.390 0.517 13.552 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -18.505 1.976 13.095 1.00 12.00 H new ATOM 416 N ILE A 27 -15.539 1.394 8.259 1.00 12.00 N ATOM 417 CA ILE A 27 -14.515 2.149 7.465 1.00 12.00 C ATOM 418 C ILE A 27 -15.164 2.804 6.230 1.00 12.00 C ATOM 419 O ILE A 27 -14.467 3.301 5.361 1.00 12.00 O ATOM 420 CB ILE A 27 -13.417 1.179 7.016 1.00 12.00 C ATOM 421 CG1 ILE A 27 -12.858 0.449 8.242 1.00 12.00 C ATOM 422 CG2 ILE A 27 -12.289 1.954 6.328 1.00 12.00 C ATOM 423 CD1 ILE A 27 -11.996 -0.728 7.782 1.00 12.00 C ATOM 0 H ILE A 27 -15.629 0.408 8.012 1.00 12.00 H new ATOM 0 HA ILE A 27 -14.087 2.934 8.088 1.00 12.00 H new ATOM 0 HB ILE A 27 -13.836 0.457 6.315 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -12.265 1.134 8.848 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -13.674 0.093 8.871 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -11.511 1.259 6.011 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -12.685 2.477 5.458 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -11.867 2.678 7.025 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -11.597 -1.249 8.652 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -12.604 -1.416 7.194 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -11.172 -0.359 7.171 1.00 12.00 H new ATOM 435 N TYR A 28 -16.487 2.808 6.149 1.00 12.00 N ATOM 436 CA TYR A 28 -17.185 3.432 4.969 1.00 12.00 C ATOM 437 C TYR A 28 -18.537 4.054 5.416 1.00 12.00 C ATOM 438 O TYR A 28 -19.597 3.616 4.979 1.00 12.00 O ATOM 439 CB TYR A 28 -17.441 2.346 3.906 1.00 12.00 C ATOM 440 CG TYR A 28 -16.134 1.871 3.331 1.00 12.00 C ATOM 441 CD1 TYR A 28 -15.332 2.756 2.604 1.00 12.00 C ATOM 442 CD2 TYR A 28 -15.728 0.543 3.517 1.00 12.00 C ATOM 443 CE1 TYR A 28 -14.121 2.319 2.065 1.00 12.00 C ATOM 444 CE2 TYR A 28 -14.514 0.106 2.977 1.00 12.00 C ATOM 445 CZ TYR A 28 -13.710 0.993 2.248 1.00 12.00 C ATOM 446 OH TYR A 28 -12.512 0.564 1.715 1.00 12.00 O ATOM 0 H TYR A 28 -17.109 2.405 6.850 1.00 12.00 H new ATOM 0 HA TYR A 28 -16.557 4.219 4.551 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -17.978 1.508 4.352 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -18.074 2.744 3.113 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -15.650 3.778 2.459 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -16.350 -0.141 4.075 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -13.500 3.004 1.506 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -14.196 -0.916 3.122 1.00 12.00 H new ATOM 0 HH TYR A 28 -11.883 1.314 1.679 1.00 12.00 H new ATOM 456 N ILE A 29 -18.528 5.064 6.287 1.00 12.00 N ATOM 457 CA ILE A 29 -19.830 5.678 6.743 1.00 12.00 C ATOM 458 C ILE A 29 -19.634 7.135 7.160 1.00 12.00 C ATOM 459 O ILE A 29 -18.597 7.518 7.676 1.00 12.00 O ATOM 460 CB ILE A 29 -20.391 4.916 7.953 1.00 12.00 C ATOM 461 CG1 ILE A 29 -20.383 3.403 7.682 1.00 12.00 C ATOM 462 CG2 ILE A 29 -21.832 5.392 8.217 1.00 12.00 C ATOM 463 CD1 ILE A 29 -20.905 2.652 8.911 1.00 12.00 C ATOM 0 H ILE A 29 -17.688 5.478 6.691 1.00 12.00 H new ATOM 0 HA ILE A 29 -20.522 5.622 5.903 1.00 12.00 H new ATOM 0 HB ILE A 29 -19.769 5.113 8.826 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -21.004 3.176 6.815 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -19.372 3.072 7.445 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -22.240 4.857 9.074 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -21.829 6.462 8.424 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -22.447 5.194 7.339 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -20.897 1.580 8.713 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -20.266 2.868 9.768 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -21.924 2.973 9.128 1.00 12.00 H new ATOM 475 N VAL A 30 -20.663 7.923 6.966 1.00 12.00 N ATOM 476 CA VAL A 30 -20.641 9.372 7.369 1.00 12.00 C ATOM 477 C VAL A 30 -21.494 9.516 8.646 1.00 12.00 C ATOM 478 O VAL A 30 -22.188 8.584 9.028 1.00 12.00 O ATOM 479 CB VAL A 30 -21.238 10.212 6.224 1.00 12.00 C ATOM 480 CG1 VAL A 30 -21.193 11.699 6.575 1.00 12.00 C ATOM 481 CG2 VAL A 30 -20.421 9.976 4.953 1.00 12.00 C ATOM 0 H VAL A 30 -21.537 7.620 6.537 1.00 12.00 H new ATOM 0 HA VAL A 30 -19.626 9.717 7.564 1.00 12.00 H new ATOM 0 HB VAL A 30 -22.275 9.914 6.069 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -21.618 12.279 5.756 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -21.770 11.876 7.483 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -20.159 12.004 6.737 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -20.838 10.567 4.138 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -19.386 10.273 5.125 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -20.456 8.919 4.689 1.00 12.00 H new ATOM 491 N GLY A 31 -21.445 10.656 9.315 1.00 12.00 N ATOM 492 CA GLY A 31 -22.250 10.835 10.569 1.00 12.00 C ATOM 493 C GLY A 31 -23.619 11.414 10.213 1.00 12.00 C ATOM 494 O GLY A 31 -24.036 12.425 10.751 1.00 12.00 O ATOM 0 H GLY A 31 -20.883 11.463 9.044 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -22.368 9.879 11.078 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -21.729 11.500 11.257 1.00 12.00 H new ATOM 498 N GLY A 32 -24.313 10.758 9.307 1.00 12.00 N ATOM 499 CA GLY A 32 -25.666 11.217 8.878 1.00 12.00 C ATOM 500 C GLY A 32 -26.370 10.087 8.122 1.00 12.00 C ATOM 501 O GLY A 32 -27.468 9.692 8.476 1.00 12.00 O ATOM 0 H GLY A 32 -23.988 9.910 8.843 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -26.255 11.510 9.747 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -25.579 12.097 8.240 1.00 12.00 H new ATOM 505 N GLN A 33 -25.740 9.576 7.077 1.00 12.00 N ATOM 506 CA GLN A 33 -26.354 8.472 6.267 1.00 12.00 C ATOM 507 C GLN A 33 -25.278 7.864 5.358 1.00 12.00 C ATOM 508 O GLN A 33 -24.754 6.796 5.627 1.00 12.00 O ATOM 509 CB GLN A 33 -27.492 9.053 5.407 1.00 12.00 C ATOM 510 CG GLN A 33 -28.851 8.618 5.961 1.00 12.00 C ATOM 511 CD GLN A 33 -29.946 9.554 5.433 1.00 12.00 C ATOM 512 OE1 GLN A 33 -30.893 9.852 6.134 1.00 12.00 O ATOM 513 NE2 GLN A 33 -29.859 10.034 4.220 1.00 12.00 N ATOM 0 H GLN A 33 -24.822 9.882 6.754 1.00 12.00 H new ATOM 0 HA GLN A 33 -26.754 7.701 6.925 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -27.428 10.141 5.394 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -27.387 8.715 4.376 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -29.063 7.591 5.666 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -28.835 8.639 7.051 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -29.066 9.786 3.629 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -30.585 10.657 3.865 1.00 12.00 H new ATOM 522 N CYS A 34 -24.960 8.557 4.284 1.00 12.00 N ATOM 523 CA CYS A 34 -23.929 8.080 3.313 1.00 12.00 C ATOM 524 C CYS A 34 -23.194 9.296 2.734 1.00 12.00 C ATOM 525 O CYS A 34 -23.376 10.413 3.197 1.00 12.00 O ATOM 526 CB CYS A 34 -24.622 7.322 2.174 1.00 12.00 C ATOM 527 SG CYS A 34 -25.611 5.961 2.848 1.00 12.00 S ATOM 0 H CYS A 34 -25.384 9.452 4.040 1.00 12.00 H new ATOM 0 HA CYS A 34 -23.221 7.421 3.815 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -25.260 8.002 1.609 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -23.878 6.933 1.479 1.00 12.00 H new ATOM 532 N LYS A 35 -22.379 9.083 1.723 1.00 12.00 N ATOM 533 CA LYS A 35 -21.632 10.214 1.087 1.00 12.00 C ATOM 534 C LYS A 35 -22.157 10.428 -0.337 1.00 12.00 C ATOM 535 O LYS A 35 -23.123 9.805 -0.747 1.00 12.00 O ATOM 536 CB LYS A 35 -20.130 9.890 1.051 1.00 12.00 C ATOM 537 CG LYS A 35 -19.330 11.073 1.617 1.00 12.00 C ATOM 538 CD LYS A 35 -18.074 11.318 0.765 1.00 12.00 C ATOM 539 CE LYS A 35 -18.191 12.654 0.018 1.00 12.00 C ATOM 540 NZ LYS A 35 -16.934 13.434 0.196 1.00 12.00 N ATOM 0 H LYS A 35 -22.200 8.167 1.311 1.00 12.00 H new ATOM 0 HA LYS A 35 -21.782 11.124 1.668 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.928 8.991 1.633 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.817 9.684 0.027 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -19.951 11.969 1.630 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -19.045 10.868 2.649 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -17.190 11.326 1.402 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -17.946 10.504 0.051 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -18.374 12.476 -1.042 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -19.041 13.222 0.397 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -17.013 14.339 -0.310 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -16.778 13.615 1.208 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -16.132 12.893 -0.186 1.00 12.00 H new ATOM 554 N ARG A 36 -21.529 11.312 -1.084 1.00 12.00 N ATOM 555 CA ARG A 36 -21.984 11.594 -2.490 1.00 12.00 C ATOM 556 C ARG A 36 -21.364 10.590 -3.469 1.00 12.00 C ATOM 557 O ARG A 36 -21.920 10.344 -4.528 1.00 12.00 O ATOM 558 CB ARG A 36 -21.568 13.013 -2.889 1.00 12.00 C ATOM 559 CG ARG A 36 -22.291 13.407 -4.180 1.00 12.00 C ATOM 560 CD ARG A 36 -21.419 14.371 -4.988 1.00 12.00 C ATOM 561 NE ARG A 36 -22.282 15.407 -5.625 1.00 12.00 N ATOM 562 CZ ARG A 36 -22.475 16.552 -5.026 1.00 12.00 C ATOM 563 NH1 ARG A 36 -23.457 16.686 -4.176 1.00 12.00 N ATOM 564 NH2 ARG A 36 -21.692 17.564 -5.285 1.00 12.00 N ATOM 0 H ARG A 36 -20.719 11.852 -0.780 1.00 12.00 H new ATOM 0 HA ARG A 36 -23.069 11.501 -2.529 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -21.814 13.714 -2.092 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -20.489 13.061 -3.034 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -22.510 12.518 -4.771 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -23.246 13.876 -3.944 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -20.683 14.845 -4.338 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -20.865 13.824 -5.751 1.00 12.00 H new ATOM 0 HE ARG A 36 -22.721 15.222 -6.527 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -24.073 15.897 -3.980 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -23.608 17.580 -3.708 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -20.930 17.461 -5.955 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -21.842 18.458 -4.818 1.00 12.00 H new ATOM 578 N VAL A 37 -20.221 10.018 -3.132 1.00 12.00 N ATOM 579 CA VAL A 37 -19.562 9.033 -4.058 1.00 12.00 C ATOM 580 C VAL A 37 -18.728 8.018 -3.268 1.00 12.00 C ATOM 581 O VAL A 37 -17.646 8.331 -2.795 1.00 12.00 O ATOM 582 CB VAL A 37 -18.631 9.771 -5.033 1.00 12.00 C ATOM 583 CG1 VAL A 37 -18.213 8.822 -6.158 1.00 12.00 C ATOM 584 CG2 VAL A 37 -19.342 10.986 -5.640 1.00 12.00 C ATOM 0 H VAL A 37 -19.721 10.192 -2.260 1.00 12.00 H new ATOM 0 HA VAL A 37 -20.347 8.511 -4.606 1.00 12.00 H new ATOM 0 HB VAL A 37 -17.752 10.111 -4.485 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -17.553 9.346 -6.849 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -17.689 7.965 -5.735 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -19.099 8.479 -6.692 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -18.668 11.496 -6.328 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -20.229 10.656 -6.180 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -19.635 11.671 -4.844 1.00 12.00 H new ATOM 594 N ASN A 38 -19.202 6.790 -3.178 1.00 12.00 N ATOM 595 CA ASN A 38 -18.422 5.714 -2.482 1.00 12.00 C ATOM 596 C ASN A 38 -17.578 5.040 -3.566 1.00 12.00 C ATOM 597 O ASN A 38 -17.991 4.072 -4.189 1.00 12.00 O ATOM 598 CB ASN A 38 -19.353 4.687 -1.802 1.00 12.00 C ATOM 599 CG ASN A 38 -20.380 5.391 -0.896 1.00 12.00 C ATOM 600 OD1 ASN A 38 -21.441 4.857 -0.645 1.00 12.00 O ATOM 601 ND2 ASN A 38 -20.108 6.560 -0.375 1.00 12.00 N ATOM 0 H ASN A 38 -20.099 6.490 -3.559 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.803 6.135 -1.689 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -19.872 4.103 -2.561 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.760 3.988 -1.212 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -20.785 7.016 0.237 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -19.219 7.016 -0.581 1.00 12.00 H new ATOM 608 N THR A 39 -16.421 5.605 -3.832 1.00 12.00 N ATOM 609 CA THR A 39 -15.537 5.083 -4.916 1.00 12.00 C ATOM 610 C THR A 39 -14.710 3.887 -4.446 1.00 12.00 C ATOM 611 O THR A 39 -13.811 4.020 -3.632 1.00 12.00 O ATOM 612 CB THR A 39 -14.591 6.198 -5.368 1.00 12.00 C ATOM 613 OG1 THR A 39 -15.330 7.396 -5.555 1.00 12.00 O ATOM 614 CG2 THR A 39 -13.916 5.803 -6.682 1.00 12.00 C ATOM 0 H THR A 39 -16.051 6.415 -3.335 1.00 12.00 H new ATOM 0 HA THR A 39 -16.170 4.753 -5.740 1.00 12.00 H new ATOM 0 HB THR A 39 -13.827 6.355 -4.606 1.00 12.00 H new ATOM 0 HG1 THR A 39 -14.726 8.112 -5.843 1.00 12.00 H new ATOM 0 HG21 THR A 39 -13.244 6.600 -7.000 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.347 4.885 -6.537 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.675 5.643 -7.447 1.00 12.00 H new ATOM 622 N PHE A 40 -14.993 2.735 -5.002 1.00 12.00 N ATOM 623 CA PHE A 40 -14.227 1.494 -4.675 1.00 12.00 C ATOM 624 C PHE A 40 -13.221 1.267 -5.811 1.00 12.00 C ATOM 625 O PHE A 40 -13.406 1.792 -6.897 1.00 12.00 O ATOM 626 CB PHE A 40 -15.211 0.321 -4.596 1.00 12.00 C ATOM 627 CG PHE A 40 -16.255 0.609 -3.542 1.00 12.00 C ATOM 628 CD1 PHE A 40 -15.865 0.943 -2.236 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.614 0.544 -3.871 1.00 12.00 C ATOM 630 CE1 PHE A 40 -16.836 1.210 -1.265 1.00 12.00 C ATOM 631 CE2 PHE A 40 -18.583 0.812 -2.897 1.00 12.00 C ATOM 632 CZ PHE A 40 -18.193 1.145 -1.596 1.00 12.00 C ATOM 0 H PHE A 40 -15.740 2.601 -5.684 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.704 1.581 -3.723 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.689 0.167 -5.564 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -14.678 -0.599 -4.354 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -14.817 0.994 -1.981 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -17.915 0.287 -4.876 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -16.537 1.466 -0.259 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -19.632 0.762 -3.150 1.00 12.00 H new ATOM 0 HZ PHE A 40 -18.941 1.352 -0.845 1.00 12.00 H new ATOM 642 N ILE A 41 -12.158 0.519 -5.581 1.00 12.00 N ATOM 643 CA ILE A 41 -11.152 0.294 -6.671 1.00 12.00 C ATOM 644 C ILE A 41 -10.931 -1.210 -6.855 1.00 12.00 C ATOM 645 O ILE A 41 -10.679 -1.927 -5.901 1.00 12.00 O ATOM 646 CB ILE A 41 -9.849 1.003 -6.292 1.00 12.00 C ATOM 647 CG1 ILE A 41 -10.120 2.505 -6.171 1.00 12.00 C ATOM 648 CG2 ILE A 41 -8.786 0.770 -7.369 1.00 12.00 C ATOM 649 CD1 ILE A 41 -10.570 2.840 -4.745 1.00 12.00 C ATOM 0 H ILE A 41 -11.948 0.061 -4.694 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.511 0.702 -7.616 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.486 0.605 -5.344 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -9.220 3.067 -6.419 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -10.889 2.803 -6.884 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -7.865 1.280 -7.087 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.595 -0.299 -7.466 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.141 1.163 -8.322 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -10.761 3.910 -4.666 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -11.482 2.290 -4.513 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -9.787 2.558 -4.041 1.00 12.00 H new ATOM 661 N ILE A 42 -11.036 -1.680 -8.084 1.00 12.00 N ATOM 662 CA ILE A 42 -10.846 -3.139 -8.369 1.00 12.00 C ATOM 663 C ILE A 42 -9.551 -3.337 -9.165 1.00 12.00 C ATOM 664 O ILE A 42 -9.323 -2.685 -10.166 1.00 12.00 O ATOM 665 CB ILE A 42 -12.054 -3.671 -9.161 1.00 12.00 C ATOM 666 CG1 ILE A 42 -11.850 -5.156 -9.494 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.225 -2.875 -10.457 1.00 12.00 C ATOM 668 CD1 ILE A 42 -13.205 -5.868 -9.541 1.00 12.00 C ATOM 0 H ILE A 42 -11.246 -1.109 -8.902 1.00 12.00 H new ATOM 0 HA ILE A 42 -10.772 -3.692 -7.433 1.00 12.00 H new ATOM 0 HB ILE A 42 -12.950 -3.558 -8.551 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -11.343 -5.257 -10.453 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -11.210 -5.622 -8.745 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -13.082 -3.259 -11.010 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -12.388 -1.824 -10.219 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -11.327 -2.974 -11.066 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -13.055 -6.921 -9.778 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -13.696 -5.780 -8.572 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -13.830 -5.410 -10.307 1.00 12.00 H new ATOM 680 N SER A 43 -8.715 -4.241 -8.701 1.00 12.00 N ATOM 681 CA SER A 43 -7.400 -4.544 -9.371 1.00 12.00 C ATOM 682 C SER A 43 -6.537 -5.353 -8.390 1.00 12.00 C ATOM 683 O SER A 43 -6.756 -5.297 -7.190 1.00 12.00 O ATOM 684 CB SER A 43 -6.670 -3.234 -9.740 1.00 12.00 C ATOM 685 OG SER A 43 -5.327 -3.520 -10.120 1.00 12.00 O ATOM 0 H SER A 43 -8.893 -4.796 -7.864 1.00 12.00 H new ATOM 0 HA SER A 43 -7.575 -5.111 -10.286 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.190 -2.735 -10.557 1.00 12.00 H new ATOM 0 HB3 SER A 43 -6.680 -2.550 -8.891 1.00 12.00 H new ATOM 0 HG SER A 43 -5.077 -2.960 -10.884 1.00 12.00 H new ATOM 691 N SER A 44 -5.562 -6.095 -8.888 1.00 12.00 N ATOM 692 CA SER A 44 -4.678 -6.904 -7.981 1.00 12.00 C ATOM 693 C SER A 44 -3.963 -5.950 -7.012 1.00 12.00 C ATOM 694 O SER A 44 -3.297 -5.011 -7.421 1.00 12.00 O ATOM 695 CB SER A 44 -3.660 -7.700 -8.810 1.00 12.00 C ATOM 696 OG SER A 44 -3.139 -6.877 -9.842 1.00 12.00 O ATOM 0 H SER A 44 -5.344 -6.172 -9.881 1.00 12.00 H new ATOM 0 HA SER A 44 -5.277 -7.615 -7.412 1.00 12.00 H new ATOM 0 HB2 SER A 44 -2.852 -8.054 -8.170 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.136 -8.582 -9.239 1.00 12.00 H new ATOM 0 HG SER A 44 -2.807 -6.039 -9.456 1.00 12.00 H new ATOM 702 N ALA A 45 -4.140 -6.176 -5.727 1.00 12.00 N ATOM 703 CA ALA A 45 -3.533 -5.292 -4.677 1.00 12.00 C ATOM 704 C ALA A 45 -2.028 -5.086 -4.905 1.00 12.00 C ATOM 705 O ALA A 45 -1.484 -4.067 -4.508 1.00 12.00 O ATOM 706 CB ALA A 45 -3.746 -5.935 -3.304 1.00 12.00 C ATOM 0 H ALA A 45 -4.690 -6.951 -5.357 1.00 12.00 H new ATOM 0 HA ALA A 45 -4.019 -4.318 -4.731 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.308 -5.300 -2.533 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -4.814 -6.049 -3.117 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.268 -6.914 -3.283 1.00 12.00 H new ATOM 712 N THR A 46 -1.356 -6.047 -5.501 1.00 12.00 N ATOM 713 CA THR A 46 0.127 -5.923 -5.717 1.00 12.00 C ATOM 714 C THR A 46 0.458 -5.042 -6.934 1.00 12.00 C ATOM 715 O THR A 46 1.469 -4.358 -6.924 1.00 12.00 O ATOM 716 CB THR A 46 0.740 -7.314 -5.877 1.00 12.00 C ATOM 717 OG1 THR A 46 2.132 -7.191 -6.131 1.00 12.00 O ATOM 718 CG2 THR A 46 0.074 -8.059 -7.036 1.00 12.00 C ATOM 0 H THR A 46 -1.770 -6.912 -5.848 1.00 12.00 H new ATOM 0 HA THR A 46 0.557 -5.435 -4.843 1.00 12.00 H new ATOM 0 HB THR A 46 0.581 -7.878 -4.958 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.526 -8.083 -6.232 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.521 -9.048 -7.138 1.00 12.00 H new ATOM 0 HG22 THR A 46 -0.993 -8.162 -6.837 1.00 12.00 H new ATOM 0 HG23 THR A 46 0.219 -7.499 -7.960 1.00 12.00 H new ATOM 726 N THR A 47 -0.379 -5.024 -7.962 1.00 12.00 N ATOM 727 CA THR A 47 -0.096 -4.149 -9.152 1.00 12.00 C ATOM 728 C THR A 47 -0.162 -2.700 -8.681 1.00 12.00 C ATOM 729 O THR A 47 0.612 -1.859 -9.114 1.00 12.00 O ATOM 730 CB THR A 47 -1.128 -4.376 -10.262 1.00 12.00 C ATOM 731 OG1 THR A 47 -2.415 -4.538 -9.691 1.00 12.00 O ATOM 732 CG2 THR A 47 -0.750 -5.621 -11.072 1.00 12.00 C ATOM 0 H THR A 47 -1.236 -5.574 -8.023 1.00 12.00 H new ATOM 0 HA THR A 47 0.886 -4.388 -9.560 1.00 12.00 H new ATOM 0 HB THR A 47 -1.141 -3.512 -10.926 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.372 -4.354 -8.729 1.00 12.00 H new ATOM 0 HG21 THR A 47 -1.486 -5.779 -11.860 1.00 12.00 H new ATOM 0 HG22 THR A 47 0.235 -5.480 -11.518 1.00 12.00 H new ATOM 0 HG23 THR A 47 -0.730 -6.490 -10.415 1.00 12.00 H new ATOM 740 N VAL A 48 -1.067 -2.427 -7.765 1.00 12.00 N ATOM 741 CA VAL A 48 -1.194 -1.053 -7.201 1.00 12.00 C ATOM 742 C VAL A 48 0.055 -0.780 -6.349 1.00 12.00 C ATOM 743 O VAL A 48 0.545 0.337 -6.279 1.00 12.00 O ATOM 744 CB VAL A 48 -2.447 -0.967 -6.319 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.665 0.484 -5.887 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.666 -1.448 -7.115 1.00 12.00 C ATOM 0 H VAL A 48 -1.725 -3.108 -7.385 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.281 -0.319 -8.002 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.316 -1.595 -5.438 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.555 0.547 -5.260 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -1.799 0.830 -5.323 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -2.797 1.110 -6.769 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.556 -1.387 -6.489 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -3.797 -0.818 -7.995 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.512 -2.481 -7.428 1.00 12.00 H new ATOM 756 N LYS A 49 0.575 -1.816 -5.715 1.00 12.00 N ATOM 757 CA LYS A 49 1.801 -1.680 -4.867 1.00 12.00 C ATOM 758 C LYS A 49 3.008 -1.341 -5.756 1.00 12.00 C ATOM 759 O LYS A 49 3.999 -0.810 -5.280 1.00 12.00 O ATOM 760 CB LYS A 49 2.056 -3.002 -4.130 1.00 12.00 C ATOM 761 CG LYS A 49 3.201 -2.828 -3.126 1.00 12.00 C ATOM 762 CD LYS A 49 3.857 -4.184 -2.858 1.00 12.00 C ATOM 763 CE LYS A 49 5.291 -3.969 -2.370 1.00 12.00 C ATOM 764 NZ LYS A 49 6.179 -3.708 -3.539 1.00 12.00 N ATOM 0 H LYS A 49 0.191 -2.760 -5.754 1.00 12.00 H new ATOM 0 HA LYS A 49 1.656 -0.880 -4.140 1.00 12.00 H new ATOM 0 HB2 LYS A 49 1.151 -3.320 -3.611 1.00 12.00 H new ATOM 0 HB3 LYS A 49 2.305 -3.785 -4.846 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.938 -2.127 -3.517 1.00 12.00 H new ATOM 0 HG3 LYS A 49 2.822 -2.406 -2.196 1.00 12.00 H new ATOM 0 HD2 LYS A 49 3.286 -4.735 -2.111 1.00 12.00 H new ATOM 0 HD3 LYS A 49 3.857 -4.786 -3.767 1.00 12.00 H new ATOM 0 HE2 LYS A 49 5.329 -3.129 -1.676 1.00 12.00 H new ATOM 0 HE3 LYS A 49 5.637 -4.848 -1.826 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 7.172 -3.730 -3.232 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 6.024 -4.439 -4.263 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 5.961 -2.773 -3.939 1.00 12.00 H new ATOM 778 N ALA A 50 2.929 -1.645 -7.044 1.00 12.00 N ATOM 779 CA ALA A 50 4.066 -1.347 -7.970 1.00 12.00 C ATOM 780 C ALA A 50 4.026 0.131 -8.382 1.00 12.00 C ATOM 781 O ALA A 50 5.060 0.777 -8.444 1.00 12.00 O ATOM 782 CB ALA A 50 3.982 -2.255 -9.209 1.00 12.00 C ATOM 0 H ALA A 50 2.122 -2.087 -7.484 1.00 12.00 H new ATOM 0 HA ALA A 50 5.009 -1.542 -7.459 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.812 -2.033 -9.879 1.00 12.00 H new ATOM 0 HB2 ALA A 50 4.034 -3.299 -8.899 1.00 12.00 H new ATOM 0 HB3 ALA A 50 3.040 -2.077 -9.727 1.00 12.00 H new ATOM 788 N ILE A 51 2.848 0.671 -8.659 1.00 12.00 N ATOM 789 CA ILE A 51 2.747 2.113 -9.063 1.00 12.00 C ATOM 790 C ILE A 51 3.125 3.024 -7.888 1.00 12.00 C ATOM 791 O ILE A 51 3.468 4.178 -8.094 1.00 12.00 O ATOM 792 CB ILE A 51 1.321 2.432 -9.514 1.00 12.00 C ATOM 793 CG1 ILE A 51 0.324 1.965 -8.449 1.00 12.00 C ATOM 794 CG2 ILE A 51 1.035 1.721 -10.834 1.00 12.00 C ATOM 795 CD1 ILE A 51 -1.043 2.609 -8.697 1.00 12.00 C ATOM 0 H ILE A 51 1.959 0.171 -8.621 1.00 12.00 H new ATOM 0 HA ILE A 51 3.437 2.289 -9.888 1.00 12.00 H new ATOM 0 HB ILE A 51 1.217 3.508 -9.652 1.00 12.00 H new ATOM 0 HG12 ILE A 51 0.234 0.879 -8.474 1.00 12.00 H new ATOM 0 HG13 ILE A 51 0.687 2.232 -7.457 1.00 12.00 H new ATOM 0 HG21 ILE A 51 0.019 1.948 -11.157 1.00 12.00 H new ATOM 0 HG22 ILE A 51 1.741 2.062 -11.591 1.00 12.00 H new ATOM 0 HG23 ILE A 51 1.141 0.645 -10.698 1.00 12.00 H new ATOM 0 HD11 ILE A 51 -1.747 2.273 -7.936 1.00 12.00 H new ATOM 0 HD12 ILE A 51 -0.948 3.694 -8.649 1.00 12.00 H new ATOM 0 HD13 ILE A 51 -1.408 2.320 -9.682 1.00 12.00 H new ATOM 807 N CYS A 52 3.067 2.520 -6.665 1.00 12.00 N ATOM 808 CA CYS A 52 3.425 3.359 -5.478 1.00 12.00 C ATOM 809 C CYS A 52 4.873 3.073 -5.046 1.00 12.00 C ATOM 810 O CYS A 52 5.246 3.326 -3.909 1.00 12.00 O ATOM 811 CB CYS A 52 2.464 3.059 -4.314 1.00 12.00 C ATOM 812 SG CYS A 52 1.882 4.608 -3.574 1.00 12.00 S ATOM 0 H CYS A 52 2.786 1.564 -6.447 1.00 12.00 H new ATOM 0 HA CYS A 52 3.338 4.411 -5.751 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.615 2.477 -4.673 1.00 12.00 H new ATOM 0 HB3 CYS A 52 2.970 2.454 -3.561 1.00 12.00 H new ATOM 817 N THR A 53 5.692 2.561 -5.948 1.00 12.00 N ATOM 818 CA THR A 53 7.123 2.266 -5.609 1.00 12.00 C ATOM 819 C THR A 53 7.967 3.511 -5.885 1.00 12.00 C ATOM 820 O THR A 53 8.102 3.929 -7.025 1.00 12.00 O ATOM 821 CB THR A 53 7.633 1.105 -6.469 1.00 12.00 C ATOM 822 OG1 THR A 53 6.682 0.049 -6.449 1.00 12.00 O ATOM 823 CG2 THR A 53 8.965 0.600 -5.911 1.00 12.00 C ATOM 0 H THR A 53 5.425 2.336 -6.906 1.00 12.00 H new ATOM 0 HA THR A 53 7.198 1.991 -4.557 1.00 12.00 H new ATOM 0 HB THR A 53 7.776 1.449 -7.493 1.00 12.00 H new ATOM 0 HG1 THR A 53 5.908 0.296 -6.996 1.00 12.00 H new ATOM 0 HG21 THR A 53 9.326 -0.226 -6.524 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.695 1.409 -5.925 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.823 0.257 -4.886 1.00 12.00 H new ATOM 831 N GLY A 54 8.529 4.100 -4.849 1.00 12.00 N ATOM 832 CA GLY A 54 9.370 5.326 -5.031 1.00 12.00 C ATOM 833 C GLY A 54 10.269 5.545 -3.807 1.00 12.00 C ATOM 834 O GLY A 54 11.484 5.554 -3.927 1.00 12.00 O ATOM 0 H GLY A 54 8.439 3.781 -3.884 1.00 12.00 H new ATOM 0 HA2 GLY A 54 9.983 5.225 -5.927 1.00 12.00 H new ATOM 0 HA3 GLY A 54 8.729 6.195 -5.180 1.00 12.00 H new ATOM 838 N VAL A 55 9.680 5.738 -2.642 1.00 12.00 N ATOM 839 CA VAL A 55 10.482 5.981 -1.402 1.00 12.00 C ATOM 840 C VAL A 55 9.571 5.758 -0.165 1.00 12.00 C ATOM 841 O VAL A 55 8.482 5.222 -0.302 1.00 12.00 O ATOM 842 CB VAL A 55 11.058 7.418 -1.495 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.001 8.475 -1.140 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.273 7.562 -0.569 1.00 12.00 C ATOM 0 H VAL A 55 8.670 5.736 -2.502 1.00 12.00 H new ATOM 0 HA VAL A 55 11.319 5.290 -1.300 1.00 12.00 H new ATOM 0 HB VAL A 55 11.367 7.585 -2.527 1.00 12.00 H new ATOM 0 HG11 VAL A 55 10.441 9.469 -1.216 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.161 8.396 -1.830 1.00 12.00 H new ATOM 0 HG13 VAL A 55 9.650 8.311 -0.121 1.00 12.00 H new ATOM 0 HG21 VAL A 55 12.669 8.575 -0.643 1.00 12.00 H new ATOM 0 HG22 VAL A 55 11.972 7.364 0.460 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.043 6.849 -0.865 1.00 12.00 H new ATOM 854 N ILE A 56 10.002 6.141 1.033 1.00 12.00 N ATOM 855 CA ILE A 56 9.163 5.931 2.272 1.00 12.00 C ATOM 856 C ILE A 56 8.193 7.122 2.494 1.00 12.00 C ATOM 857 O ILE A 56 7.797 7.403 3.610 1.00 12.00 O ATOM 858 CB ILE A 56 10.112 5.773 3.478 1.00 12.00 C ATOM 859 CG1 ILE A 56 9.315 5.413 4.737 1.00 12.00 C ATOM 860 CG2 ILE A 56 10.886 7.075 3.718 1.00 12.00 C ATOM 861 CD1 ILE A 56 10.237 4.712 5.736 1.00 12.00 C ATOM 0 H ILE A 56 10.902 6.591 1.201 1.00 12.00 H new ATOM 0 HA ILE A 56 8.555 5.034 2.155 1.00 12.00 H new ATOM 0 HB ILE A 56 10.817 4.971 3.259 1.00 12.00 H new ATOM 0 HG12 ILE A 56 8.893 6.313 5.184 1.00 12.00 H new ATOM 0 HG13 ILE A 56 8.479 4.763 4.479 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.552 6.950 4.572 1.00 12.00 H new ATOM 0 HG22 ILE A 56 11.473 7.318 2.832 1.00 12.00 H new ATOM 0 HG23 ILE A 56 10.184 7.884 3.921 1.00 12.00 H new ATOM 0 HD11 ILE A 56 9.673 4.455 6.633 1.00 12.00 H new ATOM 0 HD12 ILE A 56 10.638 3.804 5.286 1.00 12.00 H new ATOM 0 HD13 ILE A 56 11.058 5.378 6.002 1.00 12.00 H new ATOM 873 N ASN A 57 7.817 7.798 1.426 1.00 12.00 N ATOM 874 CA ASN A 57 6.876 8.982 1.489 1.00 12.00 C ATOM 875 C ASN A 57 6.877 9.611 0.090 1.00 12.00 C ATOM 876 O ASN A 57 7.903 10.101 -0.355 1.00 12.00 O ATOM 877 CB ASN A 57 7.387 10.018 2.497 1.00 12.00 C ATOM 878 CG ASN A 57 6.229 10.901 2.965 1.00 12.00 C ATOM 879 OD1 ASN A 57 5.935 11.911 2.358 1.00 12.00 O ATOM 880 ND2 ASN A 57 5.559 10.563 4.034 1.00 12.00 N ATOM 0 H ASN A 57 8.132 7.573 0.482 1.00 12.00 H new ATOM 0 HA ASN A 57 5.880 8.665 1.798 1.00 12.00 H new ATOM 0 HB2 ASN A 57 7.841 9.515 3.351 1.00 12.00 H new ATOM 0 HB3 ASN A 57 8.163 10.632 2.040 1.00 12.00 H new ATOM 0 HD21 ASN A 57 4.789 11.147 4.359 1.00 12.00 H new ATOM 0 HD22 ASN A 57 5.806 9.715 4.544 1.00 12.00 H new ATOM 887 N MET A 58 5.762 9.566 -0.621 1.00 12.00 N ATOM 888 CA MET A 58 5.741 10.124 -2.020 1.00 12.00 C ATOM 889 C MET A 58 4.312 10.399 -2.512 1.00 12.00 C ATOM 890 O MET A 58 3.336 10.136 -1.831 1.00 12.00 O ATOM 891 CB MET A 58 6.387 9.088 -2.950 1.00 12.00 C ATOM 892 CG MET A 58 7.143 9.788 -4.082 1.00 12.00 C ATOM 893 SD MET A 58 6.440 9.288 -5.671 1.00 12.00 S ATOM 894 CE MET A 58 7.809 9.849 -6.707 1.00 12.00 C ATOM 0 H MET A 58 4.879 9.172 -0.296 1.00 12.00 H new ATOM 0 HA MET A 58 6.282 11.070 -2.023 1.00 12.00 H new ATOM 0 HB2 MET A 58 7.071 8.457 -2.383 1.00 12.00 H new ATOM 0 HB3 MET A 58 5.620 8.434 -3.366 1.00 12.00 H new ATOM 0 HG2 MET A 58 7.075 10.870 -3.966 1.00 12.00 H new ATOM 0 HG3 MET A 58 8.201 9.529 -4.042 1.00 12.00 H new ATOM 0 HE1 MET A 58 7.585 9.636 -7.752 1.00 12.00 H new ATOM 0 HE2 MET A 58 7.948 10.922 -6.577 1.00 12.00 H new ATOM 0 HE3 MET A 58 8.722 9.328 -6.418 1.00 12.00 H new ATOM 904 N ASN A 59 4.218 10.902 -3.727 1.00 12.00 N ATOM 905 CA ASN A 59 2.901 11.195 -4.376 1.00 12.00 C ATOM 906 C ASN A 59 2.988 10.726 -5.838 1.00 12.00 C ATOM 907 O ASN A 59 3.779 11.250 -6.607 1.00 12.00 O ATOM 908 CB ASN A 59 2.629 12.703 -4.329 1.00 12.00 C ATOM 909 CG ASN A 59 1.842 13.046 -3.062 1.00 12.00 C ATOM 910 OD1 ASN A 59 0.702 12.655 -2.916 1.00 12.00 O ATOM 911 ND2 ASN A 59 2.406 13.768 -2.131 1.00 12.00 N ATOM 0 H ASN A 59 5.026 11.126 -4.308 1.00 12.00 H new ATOM 0 HA ASN A 59 2.092 10.680 -3.857 1.00 12.00 H new ATOM 0 HB2 ASN A 59 3.570 13.253 -4.344 1.00 12.00 H new ATOM 0 HB3 ASN A 59 2.067 13.009 -5.212 1.00 12.00 H new ATOM 0 HD21 ASN A 59 1.889 14.002 -1.284 1.00 12.00 H new ATOM 0 HD22 ASN A 59 3.364 14.098 -2.251 1.00 12.00 H new ATOM 918 N VAL A 60 2.203 9.732 -6.214 1.00 12.00 N ATOM 919 CA VAL A 60 2.247 9.192 -7.615 1.00 12.00 C ATOM 920 C VAL A 60 0.827 9.150 -8.197 1.00 12.00 C ATOM 921 O VAL A 60 -0.142 9.297 -7.469 1.00 12.00 O ATOM 922 CB VAL A 60 2.861 7.780 -7.578 1.00 12.00 C ATOM 923 CG1 VAL A 60 1.985 6.841 -6.739 1.00 12.00 C ATOM 924 CG2 VAL A 60 2.984 7.225 -8.999 1.00 12.00 C ATOM 0 H VAL A 60 1.530 9.271 -5.602 1.00 12.00 H new ATOM 0 HA VAL A 60 2.857 9.834 -8.250 1.00 12.00 H new ATOM 0 HB VAL A 60 3.851 7.845 -7.127 1.00 12.00 H new ATOM 0 HG11 VAL A 60 2.431 5.846 -6.721 1.00 12.00 H new ATOM 0 HG12 VAL A 60 1.912 7.224 -5.721 1.00 12.00 H new ATOM 0 HG13 VAL A 60 0.989 6.784 -7.177 1.00 12.00 H new ATOM 0 HG21 VAL A 60 3.419 6.226 -8.963 1.00 12.00 H new ATOM 0 HG22 VAL A 60 1.996 7.174 -9.457 1.00 12.00 H new ATOM 0 HG23 VAL A 60 3.625 7.879 -9.591 1.00 12.00 H new ATOM 934 N LEU A 61 0.700 8.966 -9.503 1.00 12.00 N ATOM 935 CA LEU A 61 -0.656 8.929 -10.140 1.00 12.00 C ATOM 936 C LEU A 61 -0.826 7.693 -11.028 1.00 12.00 C ATOM 937 O LEU A 61 -0.152 7.556 -12.037 1.00 12.00 O ATOM 938 CB LEU A 61 -0.852 10.171 -11.019 1.00 12.00 C ATOM 939 CG LEU A 61 -0.568 11.444 -10.221 1.00 12.00 C ATOM 940 CD1 LEU A 61 0.892 11.854 -10.419 1.00 12.00 C ATOM 941 CD2 LEU A 61 -1.482 12.566 -10.723 1.00 12.00 C ATOM 0 H LEU A 61 1.481 8.841 -10.147 1.00 12.00 H new ATOM 0 HA LEU A 61 -1.392 8.899 -9.336 1.00 12.00 H new ATOM 0 HB2 LEU A 61 -0.189 10.121 -11.882 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -1.872 10.195 -11.402 1.00 12.00 H new ATOM 0 HG LEU A 61 -0.754 11.262 -9.162 1.00 12.00 H new ATOM 0 HD11 LEU A 61 1.095 12.761 -9.850 1.00 12.00 H new ATOM 0 HD12 LEU A 61 1.545 11.054 -10.071 1.00 12.00 H new ATOM 0 HD13 LEU A 61 1.078 12.039 -11.477 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -1.284 13.477 -10.158 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -1.289 12.746 -11.781 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -2.524 12.274 -10.588 1.00 12.00 H new ATOM 953 N SER A 62 -1.767 6.825 -10.690 1.00 12.00 N ATOM 954 CA SER A 62 -2.055 5.617 -11.541 1.00 12.00 C ATOM 955 C SER A 62 -2.426 6.130 -12.945 1.00 12.00 C ATOM 956 O SER A 62 -3.567 6.504 -13.196 1.00 12.00 O ATOM 957 CB SER A 62 -3.232 4.839 -10.938 1.00 12.00 C ATOM 958 OG SER A 62 -3.151 4.872 -9.518 1.00 12.00 O ATOM 0 H SER A 62 -2.349 6.906 -9.856 1.00 12.00 H new ATOM 0 HA SER A 62 -1.192 4.953 -11.590 1.00 12.00 H new ATOM 0 HB2 SER A 62 -4.175 5.274 -11.268 1.00 12.00 H new ATOM 0 HB3 SER A 62 -3.216 3.807 -11.289 1.00 12.00 H new ATOM 0 HG SER A 62 -3.686 4.142 -9.143 1.00 12.00 H new ATOM 964 N THR A 63 -1.444 6.209 -13.830 1.00 12.00 N ATOM 965 CA THR A 63 -1.667 6.761 -15.208 1.00 12.00 C ATOM 966 C THR A 63 -2.309 5.736 -16.146 1.00 12.00 C ATOM 967 O THR A 63 -3.313 6.028 -16.775 1.00 12.00 O ATOM 968 CB THR A 63 -0.321 7.210 -15.801 1.00 12.00 C ATOM 969 OG1 THR A 63 0.706 6.308 -15.404 1.00 12.00 O ATOM 970 CG2 THR A 63 0.021 8.622 -15.310 1.00 12.00 C ATOM 0 H THR A 63 -0.487 5.908 -13.647 1.00 12.00 H new ATOM 0 HA THR A 63 -2.351 7.605 -15.117 1.00 12.00 H new ATOM 0 HB THR A 63 -0.398 7.215 -16.888 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.561 6.597 -15.786 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.976 8.933 -15.734 1.00 12.00 H new ATOM 0 HG22 THR A 63 -0.759 9.315 -15.624 1.00 12.00 H new ATOM 0 HG23 THR A 63 0.090 8.622 -14.222 1.00 12.00 H new ATOM 978 N THR A 64 -1.726 4.555 -16.270 1.00 12.00 N ATOM 979 CA THR A 64 -2.280 3.506 -17.200 1.00 12.00 C ATOM 980 C THR A 64 -3.801 3.355 -16.990 1.00 12.00 C ATOM 981 O THR A 64 -4.571 4.059 -17.622 1.00 12.00 O ATOM 982 CB THR A 64 -1.552 2.172 -16.965 1.00 12.00 C ATOM 983 OG1 THR A 64 -0.153 2.375 -17.102 1.00 12.00 O ATOM 984 CG2 THR A 64 -2.020 1.139 -17.995 1.00 12.00 C ATOM 0 H THR A 64 -0.886 4.274 -15.763 1.00 12.00 H new ATOM 0 HA THR A 64 -2.115 3.813 -18.233 1.00 12.00 H new ATOM 0 HB THR A 64 -1.776 1.806 -15.963 1.00 12.00 H new ATOM 0 HG1 THR A 64 0.317 1.528 -16.952 1.00 12.00 H new ATOM 0 HG21 THR A 64 -1.502 0.195 -17.825 1.00 12.00 H new ATOM 0 HG22 THR A 64 -3.095 0.986 -17.895 1.00 12.00 H new ATOM 0 HG23 THR A 64 -1.797 1.500 -18.999 1.00 12.00 H new ATOM 992 N ARG A 65 -4.233 2.473 -16.107 1.00 12.00 N ATOM 993 CA ARG A 65 -5.696 2.292 -15.840 1.00 12.00 C ATOM 994 C ARG A 65 -5.887 1.117 -14.883 1.00 12.00 C ATOM 995 O ARG A 65 -5.829 -0.035 -15.284 1.00 12.00 O ATOM 996 CB ARG A 65 -6.460 2.018 -17.146 1.00 12.00 C ATOM 997 CG ARG A 65 -5.830 0.849 -17.903 1.00 12.00 C ATOM 998 CD ARG A 65 -6.301 0.883 -19.360 1.00 12.00 C ATOM 999 NE ARG A 65 -7.790 0.813 -19.397 1.00 12.00 N ATOM 1000 CZ ARG A 65 -8.451 1.390 -20.366 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -8.249 2.650 -20.637 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -9.319 0.706 -21.062 1.00 12.00 N ATOM 0 H ARG A 65 -3.623 1.868 -15.557 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.089 3.207 -15.396 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -7.503 1.794 -16.923 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -6.452 2.910 -17.772 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -4.743 0.914 -17.858 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -6.113 -0.096 -17.438 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -5.956 1.796 -19.845 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -5.872 0.047 -19.913 1.00 12.00 H new ATOM 0 HE ARG A 65 -8.294 0.314 -18.664 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -7.574 3.187 -20.092 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -8.766 3.098 -21.394 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -9.481 -0.278 -20.849 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -9.835 1.156 -21.818 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.106 1.405 -13.620 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.300 0.310 -12.610 1.00 12.00 C ATOM 1018 C PHE A 66 -7.813 0.096 -12.375 1.00 12.00 C ATOM 1019 O PHE A 66 -8.292 0.146 -11.258 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.564 0.694 -11.315 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.072 0.570 -11.557 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.385 1.575 -12.260 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.380 -0.567 -11.117 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -2.015 1.441 -12.513 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.012 -0.700 -11.380 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.331 0.301 -12.079 1.00 12.00 C ATOM 0 H PHE A 66 -6.159 2.352 -13.244 1.00 12.00 H new ATOM 0 HA PHE A 66 -5.884 -0.631 -12.970 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -5.817 1.713 -11.023 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -5.871 0.042 -10.497 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -3.915 2.451 -12.605 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -3.903 -1.341 -10.575 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.486 2.219 -13.044 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.481 -1.578 -11.042 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.276 0.194 -12.284 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.544 -0.143 -13.462 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.051 -0.380 -13.455 1.00 12.00 C ATOM 1038 C GLN A 67 -10.743 -0.043 -12.120 1.00 12.00 C ATOM 1039 O GLN A 67 -10.578 -0.752 -11.137 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.334 -1.848 -13.805 1.00 12.00 C ATOM 1041 CG GLN A 67 -9.412 -2.782 -13.003 1.00 12.00 C ATOM 1042 CD GLN A 67 -8.540 -3.601 -13.959 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -9.013 -4.084 -14.969 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -7.277 -3.781 -13.680 1.00 12.00 N ATOM 0 H GLN A 67 -8.138 -0.185 -14.397 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.466 0.302 -14.197 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -11.376 -2.084 -13.590 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -10.184 -2.009 -14.873 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -8.782 -2.197 -12.333 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -10.008 -3.448 -12.380 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -6.879 -3.376 -12.833 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -6.688 -4.327 -14.310 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.521 1.030 -12.089 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.230 1.412 -10.824 1.00 12.00 C ATOM 1055 C LEU A 68 -13.695 0.944 -10.828 1.00 12.00 C ATOM 1056 O LEU A 68 -14.322 0.796 -11.868 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.197 2.941 -10.604 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.400 3.741 -11.910 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -13.643 3.264 -12.664 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.598 5.219 -11.551 1.00 12.00 C ATOM 0 H LEU A 68 -11.689 1.648 -12.883 1.00 12.00 H new ATOM 0 HA LEU A 68 -11.701 0.915 -10.011 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -12.973 3.217 -9.890 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.242 3.218 -10.159 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.525 3.596 -12.544 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -13.759 3.846 -13.578 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.533 2.209 -12.916 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.523 3.397 -12.035 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -12.743 5.799 -12.463 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.474 5.324 -10.911 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -11.718 5.586 -11.024 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.232 0.755 -9.643 1.00 12.00 N ATOM 1073 CA ASN A 69 -15.668 0.353 -9.471 1.00 12.00 C ATOM 1074 C ASN A 69 -16.329 1.475 -8.667 1.00 12.00 C ATOM 1075 O ASN A 69 -16.143 1.555 -7.467 1.00 12.00 O ATOM 1076 CB ASN A 69 -15.767 -0.961 -8.684 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.097 -1.648 -8.999 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -18.141 -1.208 -8.561 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -17.104 -2.718 -9.749 1.00 12.00 N ATOM 0 H ASN A 69 -13.722 0.866 -8.767 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.149 0.201 -10.437 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -14.936 -1.617 -8.945 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -15.693 -0.763 -7.615 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -17.986 -3.183 -9.966 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -16.228 -3.088 -10.117 1.00 12.00 H new ATOM 1086 N THR A 70 -17.046 2.371 -9.318 1.00 12.00 N ATOM 1087 CA THR A 70 -17.654 3.531 -8.577 1.00 12.00 C ATOM 1088 C THR A 70 -19.140 3.336 -8.316 1.00 12.00 C ATOM 1089 O THR A 70 -19.928 3.133 -9.224 1.00 12.00 O ATOM 1090 CB THR A 70 -17.471 4.808 -9.402 1.00 12.00 C ATOM 1091 OG1 THR A 70 -16.125 4.891 -9.847 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.804 6.034 -8.543 1.00 12.00 C ATOM 0 H THR A 70 -17.234 2.349 -10.320 1.00 12.00 H new ATOM 0 HA THR A 70 -17.147 3.604 -7.615 1.00 12.00 H new ATOM 0 HB THR A 70 -18.140 4.782 -10.262 1.00 12.00 H new ATOM 0 HG1 THR A 70 -16.005 5.707 -10.377 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.672 6.940 -9.135 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.838 5.970 -8.203 1.00 12.00 H new ATOM 0 HG23 THR A 70 -17.139 6.065 -7.680 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.512 3.483 -7.069 1.00 12.00 N ATOM 1101 CA CYS A 71 -20.945 3.411 -6.668 1.00 12.00 C ATOM 1102 C CYS A 71 -21.290 4.831 -6.243 1.00 12.00 C ATOM 1103 O CYS A 71 -20.736 5.328 -5.280 1.00 12.00 O ATOM 1104 CB CYS A 71 -21.137 2.441 -5.494 1.00 12.00 C ATOM 1105 SG CYS A 71 -20.856 0.741 -6.055 1.00 12.00 S ATOM 0 H CYS A 71 -18.866 3.653 -6.298 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.581 3.047 -7.475 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.445 2.688 -4.689 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.144 2.539 -5.090 1.00 12.00 H new ATOM 1110 N THR A 72 -22.142 5.506 -6.980 1.00 12.00 N ATOM 1111 CA THR A 72 -22.459 6.936 -6.646 1.00 12.00 C ATOM 1112 C THR A 72 -23.898 7.093 -6.139 1.00 12.00 C ATOM 1113 O THR A 72 -24.804 6.424 -6.604 1.00 12.00 O ATOM 1114 CB THR A 72 -22.278 7.788 -7.913 1.00 12.00 C ATOM 1115 OG1 THR A 72 -21.101 7.377 -8.596 1.00 12.00 O ATOM 1116 CG2 THR A 72 -22.153 9.263 -7.538 1.00 12.00 C ATOM 0 H THR A 72 -22.630 5.133 -7.794 1.00 12.00 H new ATOM 0 HA THR A 72 -21.785 7.263 -5.854 1.00 12.00 H new ATOM 0 HB THR A 72 -23.146 7.654 -8.559 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.986 7.919 -9.405 1.00 12.00 H new ATOM 0 HG21 THR A 72 -22.025 9.859 -8.442 1.00 12.00 H new ATOM 0 HG22 THR A 72 -23.055 9.584 -7.017 1.00 12.00 H new ATOM 0 HG23 THR A 72 -21.289 9.401 -6.887 1.00 12.00 H new ATOM 1124 N ARG A 73 -24.101 8.005 -5.202 1.00 12.00 N ATOM 1125 CA ARG A 73 -25.469 8.268 -4.655 1.00 12.00 C ATOM 1126 C ARG A 73 -26.356 8.772 -5.799 1.00 12.00 C ATOM 1127 O ARG A 73 -25.892 9.498 -6.663 1.00 12.00 O ATOM 1128 CB ARG A 73 -25.372 9.342 -3.563 1.00 12.00 C ATOM 1129 CG ARG A 73 -26.572 9.236 -2.619 1.00 12.00 C ATOM 1130 CD ARG A 73 -26.364 10.169 -1.421 1.00 12.00 C ATOM 1131 NE ARG A 73 -27.686 10.599 -0.883 1.00 12.00 N ATOM 1132 CZ ARG A 73 -28.488 9.724 -0.336 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -28.129 9.095 0.748 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -29.650 9.475 -0.878 1.00 12.00 N ATOM 0 H ARG A 73 -23.364 8.580 -4.794 1.00 12.00 H new ATOM 0 HA ARG A 73 -25.894 7.359 -4.228 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -24.445 9.220 -3.002 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -25.342 10.333 -4.017 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -27.488 9.503 -3.146 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -26.689 8.208 -2.277 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -25.794 9.659 -0.645 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -25.783 11.040 -1.723 1.00 12.00 H new ATOM 0 HE ARG A 73 -27.965 11.578 -0.942 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -27.221 9.285 1.171 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -28.757 8.413 1.173 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -29.931 9.963 -1.728 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -30.276 8.792 -0.451 1.00 12.00 H new ATOM 1148 N THR A 74 -27.616 8.381 -5.819 1.00 12.00 N ATOM 1149 CA THR A 74 -28.539 8.822 -6.922 1.00 12.00 C ATOM 1150 C THR A 74 -29.601 9.792 -6.381 1.00 12.00 C ATOM 1151 O THR A 74 -29.428 10.997 -6.459 1.00 12.00 O ATOM 1152 CB THR A 74 -29.219 7.601 -7.567 1.00 12.00 C ATOM 1153 OG1 THR A 74 -29.344 6.551 -6.614 1.00 12.00 O ATOM 1154 CG2 THR A 74 -28.383 7.120 -8.753 1.00 12.00 C ATOM 0 H THR A 74 -28.043 7.775 -5.118 1.00 12.00 H new ATOM 0 HA THR A 74 -27.949 9.339 -7.679 1.00 12.00 H new ATOM 0 HB THR A 74 -30.213 7.887 -7.912 1.00 12.00 H new ATOM 0 HG1 THR A 74 -29.779 5.779 -7.033 1.00 12.00 H new ATOM 0 HG21 THR A 74 -28.864 6.255 -9.210 1.00 12.00 H new ATOM 0 HG22 THR A 74 -28.300 7.920 -9.488 1.00 12.00 H new ATOM 0 HG23 THR A 74 -27.388 6.841 -8.407 1.00 12.00 H new ATOM 1258 N CYS A 81 -28.810 2.648 1.337 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.636 3.900 0.528 1.00 12.00 C ATOM 1260 C CYS A 81 -28.816 3.608 -0.985 1.00 12.00 C ATOM 1261 O CYS A 81 -28.485 2.519 -1.422 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.222 4.441 0.779 1.00 12.00 C ATOM 1263 SG CYS A 81 -27.308 5.971 1.745 1.00 12.00 S ATOM 0 HA CYS A 81 -29.388 4.631 0.825 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -26.628 3.698 1.311 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -26.721 4.628 -0.171 1.00 12.00 H new ATOM 1268 N PRO A 82 -29.306 4.588 -1.760 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.486 4.421 -3.225 1.00 12.00 C ATOM 1270 C PRO A 82 -28.138 4.626 -3.928 1.00 12.00 C ATOM 1271 O PRO A 82 -27.598 5.722 -3.924 1.00 12.00 O ATOM 1272 CB PRO A 82 -30.452 5.543 -3.611 1.00 12.00 C ATOM 1273 CG PRO A 82 -30.316 6.625 -2.518 1.00 12.00 C ATOM 1274 CD PRO A 82 -29.730 5.930 -1.273 1.00 12.00 C ATOM 0 HA PRO A 82 -29.857 3.435 -3.503 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -30.205 5.948 -4.592 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -31.476 5.173 -3.667 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -29.665 7.432 -2.852 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -31.285 7.070 -2.292 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -28.887 6.489 -0.866 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -30.472 5.848 -0.478 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.595 3.580 -4.517 1.00 12.00 N ATOM 1283 CA TYR A 83 -26.266 3.694 -5.216 1.00 12.00 C ATOM 1284 C TYR A 83 -26.270 2.923 -6.536 1.00 12.00 C ATOM 1285 O TYR A 83 -26.777 1.817 -6.620 1.00 12.00 O ATOM 1286 CB TYR A 83 -25.153 3.135 -4.317 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.643 4.217 -3.400 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -25.436 4.709 -2.358 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -23.363 4.735 -3.606 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -24.944 5.720 -1.524 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.873 5.745 -2.779 1.00 12.00 C ATOM 1292 CZ TYR A 83 -23.660 6.240 -1.737 1.00 12.00 C ATOM 1293 OH TYR A 83 -23.170 7.239 -0.914 1.00 12.00 O ATOM 0 H TYR A 83 -28.015 2.651 -4.544 1.00 12.00 H new ATOM 0 HA TYR A 83 -26.087 4.749 -5.424 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.533 2.298 -3.731 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.337 2.751 -4.929 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.426 4.309 -2.197 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.750 4.352 -4.409 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -25.553 6.099 -0.717 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.884 6.145 -2.944 1.00 12.00 H new ATOM 0 HH TYR A 83 -23.361 8.114 -1.312 1.00 12.00 H new ATOM 1303 N SER A 84 -25.675 3.509 -7.553 1.00 12.00 N ATOM 1304 CA SER A 84 -25.580 2.839 -8.899 1.00 12.00 C ATOM 1305 C SER A 84 -24.110 2.485 -9.146 1.00 12.00 C ATOM 1306 O SER A 84 -23.240 3.325 -8.984 1.00 12.00 O ATOM 1307 CB SER A 84 -26.070 3.791 -9.997 1.00 12.00 C ATOM 1308 OG SER A 84 -27.171 4.550 -9.515 1.00 12.00 O ATOM 0 H SER A 84 -25.246 4.433 -7.509 1.00 12.00 H new ATOM 0 HA SER A 84 -26.200 1.943 -8.916 1.00 12.00 H new ATOM 0 HB2 SER A 84 -25.262 4.457 -10.302 1.00 12.00 H new ATOM 0 HB3 SER A 84 -26.365 3.223 -10.879 1.00 12.00 H new ATOM 0 HG SER A 84 -27.842 4.640 -10.224 1.00 12.00 H new ATOM 1314 N SER A 85 -23.830 1.250 -9.510 1.00 12.00 N ATOM 1315 CA SER A 85 -22.406 0.824 -9.741 1.00 12.00 C ATOM 1316 C SER A 85 -22.029 0.959 -11.218 1.00 12.00 C ATOM 1317 O SER A 85 -22.857 0.811 -12.101 1.00 12.00 O ATOM 1318 CB SER A 85 -22.220 -0.633 -9.308 1.00 12.00 C ATOM 1319 OG SER A 85 -20.837 -0.878 -9.083 1.00 12.00 O ATOM 0 H SER A 85 -24.526 0.519 -9.657 1.00 12.00 H new ATOM 0 HA SER A 85 -21.759 1.472 -9.150 1.00 12.00 H new ATOM 0 HB2 SER A 85 -22.790 -0.831 -8.400 1.00 12.00 H new ATOM 0 HB3 SER A 85 -22.601 -1.305 -10.077 1.00 12.00 H new ATOM 0 HG SER A 85 -20.571 -0.488 -8.224 1.00 12.00 H new ATOM 1325 N ARG A 86 -20.764 1.231 -11.475 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.262 1.376 -12.877 1.00 12.00 C ATOM 1327 C ARG A 86 -18.779 0.987 -12.920 1.00 12.00 C ATOM 1328 O ARG A 86 -18.088 1.058 -11.916 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.421 2.829 -13.334 1.00 12.00 C ATOM 1330 CG ARG A 86 -20.378 2.894 -14.864 1.00 12.00 C ATOM 1331 CD ARG A 86 -21.371 3.945 -15.364 1.00 12.00 C ATOM 1332 NE ARG A 86 -20.667 5.247 -15.550 1.00 12.00 N ATOM 1333 CZ ARG A 86 -21.134 6.335 -14.993 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -22.423 6.532 -14.917 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -20.310 7.227 -14.515 1.00 12.00 N ATOM 0 H ARG A 86 -20.051 1.360 -10.757 1.00 12.00 H new ATOM 0 HA ARG A 86 -20.834 0.727 -13.540 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -21.365 3.234 -12.969 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -19.626 3.443 -12.911 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -19.371 3.143 -15.199 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -20.622 1.919 -15.286 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -21.815 3.622 -16.306 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -22.186 4.059 -14.650 1.00 12.00 H new ATOM 0 HE ARG A 86 -19.818 5.289 -16.114 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -23.068 5.837 -15.292 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -22.784 7.381 -14.482 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -19.303 7.076 -14.576 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -20.673 8.076 -14.081 1.00 12.00 H new ATOM 1349 N THR A 87 -18.295 0.574 -14.074 1.00 12.00 N ATOM 1350 CA THR A 87 -16.855 0.167 -14.211 1.00 12.00 C ATOM 1351 C THR A 87 -16.203 0.965 -15.343 1.00 12.00 C ATOM 1352 O THR A 87 -16.821 1.205 -16.367 1.00 12.00 O ATOM 1353 CB THR A 87 -16.781 -1.326 -14.538 1.00 12.00 C ATOM 1354 OG1 THR A 87 -17.520 -2.057 -13.569 1.00 12.00 O ATOM 1355 CG2 THR A 87 -15.323 -1.786 -14.524 1.00 12.00 C ATOM 0 H THR A 87 -18.841 0.501 -14.932 1.00 12.00 H new ATOM 0 HA THR A 87 -16.330 0.366 -13.277 1.00 12.00 H new ATOM 0 HB THR A 87 -17.202 -1.502 -15.528 1.00 12.00 H new ATOM 0 HG1 THR A 87 -17.476 -3.014 -13.777 1.00 12.00 H new ATOM 0 HG21 THR A 87 -15.275 -2.850 -14.757 1.00 12.00 H new ATOM 0 HG22 THR A 87 -14.757 -1.225 -15.268 1.00 12.00 H new ATOM 0 HG23 THR A 87 -14.896 -1.611 -13.536 1.00 12.00 H new ATOM 1363 N GLU A 88 -14.960 1.372 -15.161 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.250 2.158 -16.228 1.00 12.00 C ATOM 1365 C GLU A 88 -12.744 2.212 -15.937 1.00 12.00 C ATOM 1366 O GLU A 88 -12.253 1.553 -15.038 1.00 12.00 O ATOM 1367 CB GLU A 88 -14.820 3.586 -16.271 1.00 12.00 C ATOM 1368 CG GLU A 88 -15.300 3.915 -17.689 1.00 12.00 C ATOM 1369 CD GLU A 88 -15.516 5.423 -17.821 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -16.494 5.910 -17.279 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -14.704 6.064 -18.467 1.00 12.00 O ATOM 0 H GLU A 88 -14.410 1.193 -14.321 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.403 1.671 -17.191 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -15.647 3.678 -15.567 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -14.057 4.301 -15.961 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -14.565 3.577 -18.420 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -16.228 3.385 -17.902 1.00 12.00 H new ATOM 1378 N THR A 89 -12.024 3.006 -16.705 1.00 12.00 N ATOM 1379 CA THR A 89 -10.543 3.152 -16.519 1.00 12.00 C ATOM 1380 C THR A 89 -10.274 3.801 -15.163 1.00 12.00 C ATOM 1381 O THR A 89 -11.043 4.636 -14.716 1.00 12.00 O ATOM 1382 CB THR A 89 -9.986 4.047 -17.647 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.201 3.405 -18.895 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.484 4.287 -17.456 1.00 12.00 C ATOM 0 H THR A 89 -12.410 3.567 -17.464 1.00 12.00 H new ATOM 0 HA THR A 89 -10.058 2.176 -16.555 1.00 12.00 H new ATOM 0 HB THR A 89 -10.499 5.008 -17.621 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.156 4.068 -19.616 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.111 4.920 -18.261 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.313 4.780 -16.499 1.00 12.00 H new ATOM 0 HG23 THR A 89 -7.958 3.332 -17.472 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.191 3.419 -14.508 1.00 12.00 N ATOM 1393 CA ASN A 90 -8.881 4.024 -13.171 1.00 12.00 C ATOM 1394 C ASN A 90 -7.657 4.937 -13.243 1.00 12.00 C ATOM 1395 O ASN A 90 -6.536 4.540 -12.954 1.00 12.00 O ATOM 1396 CB ASN A 90 -8.664 2.941 -12.108 1.00 12.00 C ATOM 1397 CG ASN A 90 -8.763 3.556 -10.703 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -9.481 4.516 -10.484 1.00 12.00 O ATOM 1399 ND2 ASN A 90 -8.056 3.042 -9.734 1.00 12.00 N ATOM 0 H ASN A 90 -8.521 2.725 -14.840 1.00 12.00 H new ATOM 0 HA ASN A 90 -9.744 4.625 -12.884 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -9.409 2.153 -12.222 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -7.687 2.478 -12.243 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -8.106 3.444 -8.798 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -7.454 2.238 -9.913 1.00 12.00 H new ATOM 1406 N TYR A 91 -7.901 6.184 -13.558 1.00 12.00 N ATOM 1407 CA TYR A 91 -6.822 7.209 -13.581 1.00 12.00 C ATOM 1408 C TYR A 91 -6.952 7.910 -12.237 1.00 12.00 C ATOM 1409 O TYR A 91 -7.821 8.755 -12.060 1.00 12.00 O ATOM 1410 CB TYR A 91 -7.049 8.202 -14.723 1.00 12.00 C ATOM 1411 CG TYR A 91 -5.730 8.816 -15.119 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -5.184 9.854 -14.354 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -5.051 8.349 -16.250 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -3.961 10.424 -14.719 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -3.827 8.921 -16.617 1.00 12.00 C ATOM 1416 CZ TYR A 91 -3.282 9.959 -15.850 1.00 12.00 C ATOM 1417 OH TYR A 91 -2.075 10.523 -16.209 1.00 12.00 O ATOM 0 H TYR A 91 -8.825 6.539 -13.805 1.00 12.00 H new ATOM 0 HA TYR A 91 -5.834 6.775 -13.738 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -7.498 7.695 -15.577 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -7.746 8.980 -14.411 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -5.708 10.214 -13.481 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -5.471 7.548 -16.840 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -3.540 11.224 -14.128 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -3.303 8.562 -17.491 1.00 12.00 H new ATOM 0 HH TYR A 91 -1.841 11.229 -15.571 1.00 12.00 H new ATOM 1427 N ILE A 92 -6.165 7.505 -11.266 1.00 12.00 N ATOM 1428 CA ILE A 92 -6.317 8.077 -9.894 1.00 12.00 C ATOM 1429 C ILE A 92 -4.965 8.533 -9.334 1.00 12.00 C ATOM 1430 O ILE A 92 -3.939 8.332 -9.948 1.00 12.00 O ATOM 1431 CB ILE A 92 -6.961 6.973 -9.021 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -7.540 7.571 -7.739 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -5.942 5.882 -8.665 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -8.705 6.704 -7.255 1.00 12.00 C ATOM 0 H ILE A 92 -5.428 6.807 -11.366 1.00 12.00 H new ATOM 0 HA ILE A 92 -6.949 8.965 -9.906 1.00 12.00 H new ATOM 0 HB ILE A 92 -7.765 6.522 -9.602 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -6.769 7.626 -6.970 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -7.882 8.590 -7.922 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -6.424 5.121 -8.051 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -5.564 5.425 -9.579 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -5.114 6.324 -8.111 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -9.119 7.129 -6.341 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -9.478 6.672 -8.023 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -8.348 5.693 -7.056 1.00 12.00 H new ATOM 1446 N CYS A 93 -4.986 9.145 -8.171 1.00 12.00 N ATOM 1447 CA CYS A 93 -3.731 9.625 -7.515 1.00 12.00 C ATOM 1448 C CYS A 93 -3.562 8.889 -6.185 1.00 12.00 C ATOM 1449 O CYS A 93 -4.384 9.017 -5.289 1.00 12.00 O ATOM 1450 CB CYS A 93 -3.813 11.131 -7.268 1.00 12.00 C ATOM 1451 SG CYS A 93 -2.249 11.701 -6.561 1.00 12.00 S ATOM 0 H CYS A 93 -5.837 9.334 -7.642 1.00 12.00 H new ATOM 0 HA CYS A 93 -2.877 9.425 -8.162 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -4.016 11.655 -8.202 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -4.636 11.357 -6.590 1.00 12.00 H new ATOM 0 HG CYS A 93 -1.306 10.856 -6.855 1.00 12.00 H new ATOM 1456 N VAL A 94 -2.507 8.112 -6.065 1.00 12.00 N ATOM 1457 CA VAL A 94 -2.259 7.331 -4.812 1.00 12.00 C ATOM 1458 C VAL A 94 -1.072 7.927 -4.050 1.00 12.00 C ATOM 1459 O VAL A 94 -0.286 8.671 -4.609 1.00 12.00 O ATOM 1460 CB VAL A 94 -1.987 5.860 -5.173 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -0.711 5.739 -6.012 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -1.833 5.041 -3.890 1.00 12.00 C ATOM 0 H VAL A 94 -1.802 7.986 -6.791 1.00 12.00 H new ATOM 0 HA VAL A 94 -3.138 7.381 -4.170 1.00 12.00 H new ATOM 0 HB VAL A 94 -2.827 5.481 -5.756 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -0.535 4.692 -6.258 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -0.824 6.313 -6.931 1.00 12.00 H new ATOM 0 HG13 VAL A 94 0.136 6.126 -5.445 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -1.640 3.999 -4.145 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -1.000 5.432 -3.307 1.00 12.00 H new ATOM 0 HG23 VAL A 94 -2.749 5.108 -3.304 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.952 7.599 -2.778 1.00 12.00 N ATOM 1473 CA LYS A 95 0.176 8.131 -1.955 1.00 12.00 C ATOM 1474 C LYS A 95 1.010 6.954 -1.412 1.00 12.00 C ATOM 1475 O LYS A 95 0.466 5.896 -1.125 1.00 12.00 O ATOM 1476 CB LYS A 95 -0.378 8.983 -0.810 1.00 12.00 C ATOM 1477 CG LYS A 95 -1.103 10.199 -1.398 1.00 12.00 C ATOM 1478 CD LYS A 95 -1.692 11.048 -0.271 1.00 12.00 C ATOM 1479 CE LYS A 95 -0.588 11.900 0.359 1.00 12.00 C ATOM 1480 NZ LYS A 95 -1.198 13.075 1.043 1.00 12.00 N ATOM 0 H LYS A 95 -1.593 6.983 -2.279 1.00 12.00 H new ATOM 0 HA LYS A 95 0.820 8.761 -2.569 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -1.064 8.394 -0.200 1.00 12.00 H new ATOM 0 HB3 LYS A 95 0.432 9.307 -0.156 1.00 12.00 H new ATOM 0 HG2 LYS A 95 -0.409 10.796 -1.990 1.00 12.00 H new ATOM 0 HG3 LYS A 95 -1.896 9.871 -2.070 1.00 12.00 H new ATOM 0 HD2 LYS A 95 -2.483 11.689 -0.660 1.00 12.00 H new ATOM 0 HD3 LYS A 95 -2.145 10.405 0.484 1.00 12.00 H new ATOM 0 HE2 LYS A 95 -0.018 11.306 1.073 1.00 12.00 H new ATOM 0 HE3 LYS A 95 0.111 12.234 -0.408 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 -0.449 13.655 1.472 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 -1.724 13.645 0.350 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 -1.848 12.746 1.785 1.00 12.00 H new ATOM 1494 N CYS A 96 2.324 7.110 -1.299 1.00 12.00 N ATOM 1495 CA CYS A 96 3.184 5.964 -0.832 1.00 12.00 C ATOM 1496 C CYS A 96 3.960 6.252 0.461 1.00 12.00 C ATOM 1497 O CYS A 96 4.829 7.101 0.508 1.00 12.00 O ATOM 1498 CB CYS A 96 4.213 5.618 -1.917 1.00 12.00 C ATOM 1499 SG CYS A 96 3.498 5.821 -3.570 1.00 12.00 S ATOM 0 H CYS A 96 2.827 7.972 -1.508 1.00 12.00 H new ATOM 0 HA CYS A 96 2.496 5.142 -0.633 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.088 6.260 -1.813 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.554 4.591 -1.787 1.00 12.00 H new ATOM 1504 N GLU A 97 3.709 5.445 1.465 1.00 12.00 N ATOM 1505 CA GLU A 97 4.469 5.511 2.756 1.00 12.00 C ATOM 1506 C GLU A 97 4.929 4.071 2.991 1.00 12.00 C ATOM 1507 O GLU A 97 4.207 3.149 2.659 1.00 12.00 O ATOM 1508 CB GLU A 97 3.582 6.000 3.903 1.00 12.00 C ATOM 1509 CG GLU A 97 4.353 5.937 5.226 1.00 12.00 C ATOM 1510 CD GLU A 97 3.677 6.842 6.255 1.00 12.00 C ATOM 1511 OE1 GLU A 97 3.977 8.023 6.265 1.00 12.00 O ATOM 1512 OE2 GLU A 97 2.870 6.337 7.019 1.00 12.00 O ATOM 0 H GLU A 97 2.989 4.723 1.442 1.00 12.00 H new ATOM 0 HA GLU A 97 5.300 6.215 2.711 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.256 7.022 3.711 1.00 12.00 H new ATOM 0 HB3 GLU A 97 2.684 5.386 3.966 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.383 4.911 5.593 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.385 6.251 5.073 1.00 12.00 H new ATOM 1519 N ASN A 98 6.124 3.851 3.497 1.00 12.00 N ATOM 1520 CA ASN A 98 6.614 2.427 3.649 1.00 12.00 C ATOM 1521 C ASN A 98 6.570 1.759 2.243 1.00 12.00 C ATOM 1522 O ASN A 98 6.375 0.567 2.106 1.00 12.00 O ATOM 1523 CB ASN A 98 5.696 1.670 4.613 1.00 12.00 C ATOM 1524 CG ASN A 98 6.245 1.790 6.031 1.00 12.00 C ATOM 1525 OD1 ASN A 98 6.554 0.801 6.664 1.00 12.00 O ATOM 1526 ND2 ASN A 98 6.385 2.975 6.563 1.00 12.00 N ATOM 0 H ASN A 98 6.773 4.574 3.807 1.00 12.00 H new ATOM 0 HA ASN A 98 7.628 2.408 4.048 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.686 2.077 4.566 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.631 0.621 4.323 1.00 12.00 H new ATOM 0 HD21 ASN A 98 6.754 3.069 7.509 1.00 12.00 H new ATOM 0 HD22 ASN A 98 6.126 3.806 6.032 1.00 12.00 H new ATOM 1533 N GLN A 99 6.724 2.575 1.211 1.00 12.00 N ATOM 1534 CA GLN A 99 6.691 2.148 -0.235 1.00 12.00 C ATOM 1535 C GLN A 99 5.457 1.309 -0.612 1.00 12.00 C ATOM 1536 O GLN A 99 5.403 0.743 -1.693 1.00 12.00 O ATOM 1537 CB GLN A 99 7.994 1.433 -0.642 1.00 12.00 C ATOM 1538 CG GLN A 99 8.227 0.192 0.217 1.00 12.00 C ATOM 1539 CD GLN A 99 9.401 -0.607 -0.349 1.00 12.00 C ATOM 1540 OE1 GLN A 99 9.318 -1.811 -0.492 1.00 12.00 O ATOM 1541 NE2 GLN A 99 10.502 0.013 -0.679 1.00 12.00 N ATOM 0 H GLN A 99 6.880 3.576 1.326 1.00 12.00 H new ATOM 0 HA GLN A 99 6.607 3.072 -0.807 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.944 1.148 -1.693 1.00 12.00 H new ATOM 0 HB3 GLN A 99 8.837 2.116 -0.537 1.00 12.00 H new ATOM 0 HG2 GLN A 99 8.434 0.483 1.247 1.00 12.00 H new ATOM 0 HG3 GLN A 99 7.329 -0.425 0.235 1.00 12.00 H new ATOM 0 HE21 GLN A 99 10.574 1.023 -0.560 1.00 12.00 H new ATOM 0 HE22 GLN A 99 11.290 -0.513 -1.056 1.00 12.00 H new ATOM 1550 N TYR A 100 4.439 1.323 0.211 1.00 12.00 N ATOM 1551 CA TYR A 100 3.147 0.642 -0.122 1.00 12.00 C ATOM 1552 C TYR A 100 2.107 1.771 -0.081 1.00 12.00 C ATOM 1553 O TYR A 100 2.246 2.679 0.729 1.00 12.00 O ATOM 1554 CB TYR A 100 2.851 -0.537 0.876 1.00 12.00 C ATOM 1555 CG TYR A 100 1.698 -0.280 1.867 1.00 12.00 C ATOM 1556 CD1 TYR A 100 0.379 -0.055 1.418 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.958 -0.286 3.246 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -0.655 0.169 2.339 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.922 -0.060 4.160 1.00 12.00 C ATOM 1560 CZ TYR A 100 -0.381 0.168 3.706 1.00 12.00 C ATOM 1561 OH TYR A 100 -1.395 0.402 4.607 1.00 12.00 O ATOM 0 H TYR A 100 4.448 1.787 1.119 1.00 12.00 H new ATOM 0 HA TYR A 100 3.150 0.156 -1.098 1.00 12.00 H new ATOM 0 HB2 TYR A 100 2.621 -1.432 0.299 1.00 12.00 H new ATOM 0 HB3 TYR A 100 3.757 -0.748 1.444 1.00 12.00 H new ATOM 0 HD1 TYR A 100 0.165 -0.055 0.359 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.961 -0.466 3.604 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -1.662 0.342 1.990 1.00 12.00 H new ATOM 0 HE2 TYR A 100 1.130 -0.062 5.220 1.00 12.00 H new ATOM 0 HH TYR A 100 -2.089 -0.282 4.504 1.00 12.00 H new ATOM 1571 N PRO A 101 1.098 1.719 -0.934 1.00 12.00 N ATOM 1572 CA PRO A 101 0.075 2.779 -0.955 1.00 12.00 C ATOM 1573 C PRO A 101 -0.615 2.809 0.402 1.00 12.00 C ATOM 1574 O PRO A 101 -1.516 2.056 0.650 1.00 12.00 O ATOM 1575 CB PRO A 101 -0.848 2.379 -2.116 1.00 12.00 C ATOM 1576 CG PRO A 101 -0.601 0.874 -2.358 1.00 12.00 C ATOM 1577 CD PRO A 101 0.845 0.617 -1.896 1.00 12.00 C ATOM 0 HA PRO A 101 0.453 3.789 -1.112 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -1.892 2.568 -1.867 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.624 2.960 -3.011 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.308 0.264 -1.795 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -0.728 0.619 -3.410 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.949 -0.360 -1.424 1.00 12.00 H new ATOM 0 HD3 PRO A 101 1.545 0.644 -2.731 1.00 12.00 H new ATOM 1585 N VAL A 102 -0.139 3.653 1.294 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.715 3.719 2.683 1.00 12.00 C ATOM 1587 C VAL A 102 -1.834 4.764 2.762 1.00 12.00 C ATOM 1588 O VAL A 102 -2.561 4.808 3.741 1.00 12.00 O ATOM 1589 CB VAL A 102 0.410 4.097 3.674 1.00 12.00 C ATOM 1590 CG1 VAL A 102 -0.164 4.390 5.072 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.404 2.941 3.784 1.00 12.00 C ATOM 0 H VAL A 102 0.628 4.302 1.119 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.135 2.746 2.937 1.00 12.00 H new ATOM 0 HB VAL A 102 0.907 4.992 3.299 1.00 12.00 H new ATOM 0 HG11 VAL A 102 0.647 4.653 5.751 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -0.869 5.219 5.010 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.678 3.505 5.447 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.197 3.208 4.483 1.00 12.00 H new ATOM 0 HG22 VAL A 102 0.888 2.051 4.144 1.00 12.00 H new ATOM 0 HG23 VAL A 102 1.837 2.739 2.804 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.946 5.621 1.776 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.984 6.696 1.819 1.00 12.00 C ATOM 1603 C HIS A 103 -3.458 6.950 0.398 1.00 12.00 C ATOM 1604 O HIS A 103 -2.662 6.868 -0.515 1.00 12.00 O ATOM 1605 CB HIS A 103 -2.375 8.005 2.404 1.00 12.00 C ATOM 1606 CG HIS A 103 -0.870 7.884 2.624 1.00 12.00 C ATOM 1607 ND1 HIS A 103 -0.266 8.197 3.835 1.00 12.00 N ATOM 1608 CD2 HIS A 103 0.155 7.463 1.802 1.00 12.00 C ATOM 1609 CE1 HIS A 103 1.054 7.957 3.702 1.00 12.00 C ATOM 1610 NE2 HIS A 103 1.359 7.514 2.485 1.00 12.00 N ATOM 0 H HIS A 103 -1.361 5.621 0.941 1.00 12.00 H new ATOM 0 HA HIS A 103 -3.816 6.386 2.452 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -2.577 8.834 1.726 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -2.862 8.241 3.350 1.00 12.00 H new ATOM 0 HD1 HIS A 103 -0.735 8.545 4.671 1.00 12.00 H new ATOM 0 HD2 HIS A 103 0.036 7.141 0.778 1.00 12.00 H new ATOM 0 HE1 HIS A 103 1.778 8.107 4.490 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.728 7.276 0.193 1.00 12.00 N ATOM 1619 CA PHE A 104 -5.179 7.554 -1.215 1.00 12.00 C ATOM 1620 C PHE A 104 -5.288 9.073 -1.412 1.00 12.00 C ATOM 1621 O PHE A 104 -6.040 9.731 -0.714 1.00 12.00 O ATOM 1622 CB PHE A 104 -6.541 6.894 -1.571 1.00 12.00 C ATOM 1623 CG PHE A 104 -6.500 6.323 -2.994 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -5.568 6.800 -3.934 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -7.360 5.277 -3.355 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -5.485 6.246 -5.201 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -7.285 4.721 -4.638 1.00 12.00 C ATOM 1628 CZ PHE A 104 -6.347 5.201 -5.558 1.00 12.00 C ATOM 0 H PHE A 104 -5.444 7.358 0.915 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.435 7.117 -1.881 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.765 6.099 -0.859 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -7.341 7.629 -1.490 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -4.907 7.610 -3.664 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -8.080 4.900 -2.644 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -4.760 6.618 -5.910 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -7.953 3.920 -4.918 1.00 12.00 H new ATOM 0 HZ PHE A 104 -6.287 4.766 -6.545 1.00 12.00 H new ATOM 1638 N ALA A 105 -4.536 9.631 -2.349 1.00 12.00 N ATOM 1639 CA ALA A 105 -4.584 11.115 -2.589 1.00 12.00 C ATOM 1640 C ALA A 105 -5.993 11.531 -3.028 1.00 12.00 C ATOM 1641 O ALA A 105 -6.463 12.596 -2.660 1.00 12.00 O ATOM 1642 CB ALA A 105 -3.566 11.515 -3.665 1.00 12.00 C ATOM 0 H ALA A 105 -3.894 9.119 -2.954 1.00 12.00 H new ATOM 0 HA ALA A 105 -4.333 11.626 -1.659 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -3.613 12.592 -3.828 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -2.563 11.241 -3.337 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -3.798 10.997 -4.596 1.00 12.00 H new ATOM 1648 N GLY A 106 -6.666 10.704 -3.806 1.00 12.00 N ATOM 1649 CA GLY A 106 -8.051 11.045 -4.271 1.00 12.00 C ATOM 1650 C GLY A 106 -8.172 10.793 -5.775 1.00 12.00 C ATOM 1651 O GLY A 106 -7.401 10.044 -6.345 1.00 12.00 O ATOM 0 H GLY A 106 -6.311 9.807 -4.137 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -8.783 10.443 -3.733 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -8.272 12.089 -4.049 1.00 12.00 H new ATOM 1655 N ILE A 107 -9.141 11.423 -6.413 1.00 12.00 N ATOM 1656 CA ILE A 107 -9.357 11.252 -7.891 1.00 12.00 C ATOM 1657 C ILE A 107 -8.058 11.567 -8.644 1.00 12.00 C ATOM 1658 O ILE A 107 -7.157 12.185 -8.101 1.00 12.00 O ATOM 1659 CB ILE A 107 -10.489 12.200 -8.339 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -10.807 12.000 -9.831 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -10.079 13.656 -8.102 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -11.267 10.559 -10.089 1.00 12.00 C ATOM 0 H ILE A 107 -9.800 12.058 -5.962 1.00 12.00 H new ATOM 0 HA ILE A 107 -9.640 10.223 -8.114 1.00 12.00 H new ATOM 0 HB ILE A 107 -11.378 11.969 -7.752 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -11.585 12.698 -10.141 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -9.924 12.220 -10.431 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -10.884 14.317 -8.421 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -9.882 13.810 -7.041 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -9.179 13.878 -8.675 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -11.489 10.432 -11.149 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -10.477 9.867 -9.798 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -12.163 10.353 -9.504 1.00 12.00 H new ATOM 1674 N GLY A 108 -7.966 11.138 -9.887 1.00 12.00 N ATOM 1675 CA GLY A 108 -6.737 11.390 -10.708 1.00 12.00 C ATOM 1676 C GLY A 108 -6.474 12.898 -10.784 1.00 12.00 C ATOM 1677 O GLY A 108 -6.985 13.577 -11.659 1.00 12.00 O ATOM 0 H GLY A 108 -8.700 10.619 -10.369 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -5.880 10.882 -10.265 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -6.866 10.982 -11.710 1.00 12.00 H new