USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1099 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= -0.0511 (180deg=-1.57) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0255 X(o=-0.025,f=-0.42) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 133:sc= -1.31 (180deg=-3.9!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.95 K(o=-2,f=-2.6) USER MOD Single : A 28 TYR OH : rot 130:sc= -4.13! USER MOD Single : A 31 LYS NZ :NH3+ 148:sc= -0.266 (180deg=-1.63!) USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 47 CYS SG : rot 180:sc= 0.0602 USER MOD Single : A 48 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 49 THR OG1 : rot -150:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -1.31! C(o=-1.3!,f=-4.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.729 K(o=-0.73,f=-2.2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 76 LYS NZ :NH3+ -116:sc= -0.104 (180deg=-1.6!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 165:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= -0.675 USER MOD Single : A 112 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 127 GLN : amide:sc= -3.4! C(o=-3.4!,f=-5.4!) USER MOD Single : A 129 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.19) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot -17:sc= 0.737! USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.649 -7.457 7.062 1.00 0.00 N ATOM 2 CA MET A 1 11.520 -6.010 7.083 1.00 0.00 C ATOM 3 C MET A 1 10.623 -5.523 5.944 1.00 0.00 C ATOM 4 O MET A 1 9.799 -6.278 5.430 1.00 0.00 O ATOM 5 CB MET A 1 12.904 -5.372 6.952 1.00 0.00 C ATOM 6 CG MET A 1 13.077 -4.227 7.953 1.00 0.00 C ATOM 7 SD MET A 1 14.737 -4.234 8.608 1.00 0.00 S ATOM 8 CE MET A 1 14.495 -3.248 10.076 1.00 0.00 C ATOM 0 H1 MET A 1 11.622 -7.822 8.035 1.00 0.00 H new ATOM 0 H2 MET A 1 10.865 -7.868 6.516 1.00 0.00 H new ATOM 0 H3 MET A 1 12.553 -7.719 6.619 1.00 0.00 H new ATOM 0 HA MET A 1 11.064 -5.718 8.029 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.673 -6.126 7.120 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.041 -4.997 5.938 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.874 -3.273 7.466 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.357 -4.331 8.764 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.441 -3.151 10.609 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.134 -2.259 9.794 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.762 -3.731 10.722 1.00 0.00 H new ATOM 18 N VAL A 2 10.813 -4.263 5.581 1.00 0.00 N ATOM 19 CA VAL A 2 10.032 -3.665 4.512 1.00 0.00 C ATOM 20 C VAL A 2 10.450 -4.282 3.175 1.00 0.00 C ATOM 21 O VAL A 2 11.630 -4.544 2.950 1.00 0.00 O ATOM 22 CB VAL A 2 10.182 -2.143 4.541 1.00 0.00 C ATOM 23 CG1 VAL A 2 9.299 -1.484 3.480 1.00 0.00 C ATOM 24 CG2 VAL A 2 9.874 -1.588 5.933 1.00 0.00 C ATOM 0 H VAL A 2 11.497 -3.639 6.009 1.00 0.00 H new ATOM 0 HA VAL A 2 8.971 -3.875 4.650 1.00 0.00 H new ATOM 0 HB VAL A 2 11.220 -1.905 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.425 -0.402 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.587 -1.844 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.255 -1.735 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.988 -0.504 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.851 -1.843 6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.563 -2.021 6.658 1.00 0.00 H new ATOM 34 N PRO A 3 9.432 -4.501 2.300 1.00 0.00 N ATOM 35 CA PRO A 3 9.681 -5.081 0.992 1.00 0.00 C ATOM 36 C PRO A 3 10.317 -4.057 0.050 1.00 0.00 C ATOM 37 O PRO A 3 10.458 -2.887 0.402 1.00 0.00 O ATOM 38 CB PRO A 3 8.324 -5.568 0.512 1.00 0.00 C ATOM 39 CG PRO A 3 7.295 -4.831 1.354 1.00 0.00 C ATOM 40 CD PRO A 3 8.021 -4.202 2.532 1.00 0.00 C ATOM 0 HA PRO A 3 10.395 -5.904 1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.185 -5.356 -0.548 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.230 -6.647 0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.794 -4.065 0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.525 -5.518 1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.846 -3.127 2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.678 -4.621 3.478 1.00 0.00 H new ATOM 48 N PRO A 4 10.694 -4.547 -1.162 1.00 0.00 N ATOM 49 CA PRO A 4 11.311 -3.687 -2.158 1.00 0.00 C ATOM 50 C PRO A 4 10.273 -2.772 -2.811 1.00 0.00 C ATOM 51 O PRO A 4 10.392 -1.549 -2.750 1.00 0.00 O ATOM 52 CB PRO A 4 11.970 -4.637 -3.144 1.00 0.00 C ATOM 53 CG PRO A 4 11.309 -5.989 -2.926 1.00 0.00 C ATOM 54 CD PRO A 4 10.543 -5.926 -1.614 1.00 0.00 C ATOM 0 HA PRO A 4 12.047 -3.007 -1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.830 -4.295 -4.169 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.045 -4.695 -2.971 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.635 -6.222 -3.751 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.058 -6.780 -2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.493 -6.183 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.948 -6.628 -0.885 1.00 0.00 H new ATOM 62 N LYS A 5 9.279 -3.400 -3.423 1.00 0.00 N ATOM 63 CA LYS A 5 8.222 -2.658 -4.087 1.00 0.00 C ATOM 64 C LYS A 5 7.835 -1.451 -3.229 1.00 0.00 C ATOM 65 O LYS A 5 7.407 -0.424 -3.754 1.00 0.00 O ATOM 66 CB LYS A 5 7.046 -3.580 -4.417 1.00 0.00 C ATOM 67 CG LYS A 5 7.506 -4.779 -5.247 1.00 0.00 C ATOM 68 CD LYS A 5 6.463 -5.147 -6.305 1.00 0.00 C ATOM 69 CE LYS A 5 5.960 -6.578 -6.105 1.00 0.00 C ATOM 70 NZ LYS A 5 5.731 -7.234 -7.411 1.00 0.00 N ATOM 0 H LYS A 5 9.184 -4.414 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 5 8.572 -2.271 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.582 -3.928 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.286 -3.024 -4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.455 -4.548 -5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.682 -5.633 -4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.625 -4.452 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.897 -5.046 -7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.688 -7.148 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.034 -6.567 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.390 -8.204 -7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.020 -6.698 -7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.622 -7.261 -7.947 1.00 0.00 H new ATOM 84 N LEU A 6 8.000 -1.615 -1.925 1.00 0.00 N ATOM 85 CA LEU A 6 7.673 -0.552 -0.990 1.00 0.00 C ATOM 86 C LEU A 6 8.885 0.368 -0.828 1.00 0.00 C ATOM 87 O LEU A 6 8.844 1.530 -1.228 1.00 0.00 O ATOM 88 CB LEU A 6 7.164 -1.136 0.329 1.00 0.00 C ATOM 89 CG LEU A 6 6.194 -0.257 1.122 1.00 0.00 C ATOM 90 CD1 LEU A 6 6.886 0.364 2.337 1.00 0.00 C ATOM 91 CD2 LEU A 6 5.554 0.802 0.223 1.00 0.00 C ATOM 0 H LEU A 6 8.356 -2.468 -1.494 1.00 0.00 H new ATOM 0 HA LEU A 6 6.857 0.059 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.672 -2.086 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.024 -1.356 0.962 1.00 0.00 H new ATOM 0 HG LEU A 6 5.389 -0.889 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.175 0.984 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.254 -0.427 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.723 0.979 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.869 1.413 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.332 1.436 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.004 0.313 -0.581 1.00 0.00 H new ATOM 103 N LYS A 7 9.934 -0.186 -0.239 1.00 0.00 N ATOM 104 CA LYS A 7 11.155 0.570 -0.018 1.00 0.00 C ATOM 105 C LYS A 7 11.486 1.374 -1.278 1.00 0.00 C ATOM 106 O LYS A 7 12.078 2.449 -1.194 1.00 0.00 O ATOM 107 CB LYS A 7 12.285 -0.357 0.435 1.00 0.00 C ATOM 108 CG LYS A 7 13.457 0.446 1.003 1.00 0.00 C ATOM 109 CD LYS A 7 13.614 0.198 2.505 1.00 0.00 C ATOM 110 CE LYS A 7 14.942 0.760 3.017 1.00 0.00 C ATOM 111 NZ LYS A 7 15.380 0.030 4.228 1.00 0.00 N ATOM 0 H LYS A 7 9.964 -1.150 0.092 1.00 0.00 H new ATOM 0 HA LYS A 7 11.019 1.287 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.912 -1.048 1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.626 -0.959 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.376 0.169 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.297 1.509 0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.787 0.662 3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.565 -0.872 2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.702 0.678 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.832 1.820 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.283 0.423 4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.661 0.130 4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.505 -0.977 4.000 1.00 0.00 H new ATOM 125 N GLN A 8 11.090 0.821 -2.415 1.00 0.00 N ATOM 126 CA GLN A 8 11.338 1.473 -3.690 1.00 0.00 C ATOM 127 C GLN A 8 10.650 2.839 -3.729 1.00 0.00 C ATOM 128 O GLN A 8 11.298 3.858 -3.965 1.00 0.00 O ATOM 129 CB GLN A 8 10.877 0.594 -4.854 1.00 0.00 C ATOM 130 CG GLN A 8 12.074 0.028 -5.621 1.00 0.00 C ATOM 131 CD GLN A 8 12.252 0.742 -6.963 1.00 0.00 C ATOM 132 OE1 GLN A 8 11.945 1.912 -7.118 1.00 0.00 O ATOM 133 NE2 GLN A 8 12.763 -0.027 -7.921 1.00 0.00 N ATOM 0 H GLN A 8 10.599 -0.071 -2.480 1.00 0.00 H new ATOM 0 HA GLN A 8 12.412 1.625 -3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.263 -0.224 -4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.251 1.177 -5.529 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.979 0.138 -5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.931 -1.039 -5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.998 -1.000 -7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.920 0.356 -8.853 1.00 0.00 H new ATOM 142 N ALA A 9 9.346 2.817 -3.496 1.00 0.00 N ATOM 143 CA ALA A 9 8.564 4.041 -3.502 1.00 0.00 C ATOM 144 C ALA A 9 9.141 5.015 -2.472 1.00 0.00 C ATOM 145 O ALA A 9 9.413 6.172 -2.791 1.00 0.00 O ATOM 146 CB ALA A 9 7.095 3.710 -3.231 1.00 0.00 C ATOM 0 H ALA A 9 8.811 1.970 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 9 8.615 4.524 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.508 4.629 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.724 3.039 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.004 3.226 -2.258 1.00 0.00 H new ATOM 152 N LEU A 10 9.311 4.512 -1.259 1.00 0.00 N ATOM 153 CA LEU A 10 9.850 5.323 -0.181 1.00 0.00 C ATOM 154 C LEU A 10 11.191 5.918 -0.618 1.00 0.00 C ATOM 155 O LEU A 10 11.388 7.130 -0.548 1.00 0.00 O ATOM 156 CB LEU A 10 9.931 4.510 1.113 1.00 0.00 C ATOM 157 CG LEU A 10 8.594 4.176 1.779 1.00 0.00 C ATOM 158 CD1 LEU A 10 8.804 3.320 3.030 1.00 0.00 C ATOM 159 CD2 LEU A 10 7.799 5.447 2.081 1.00 0.00 C ATOM 0 H LEU A 10 9.085 3.552 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 10 9.185 6.159 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.452 3.576 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.543 5.061 1.827 1.00 0.00 H new ATOM 0 HG LEU A 10 8.002 3.585 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.839 3.097 3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.300 2.389 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.423 3.864 3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.854 5.181 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.374 6.085 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.602 5.982 1.152 1.00 0.00 H new ATOM 171 N GLU A 11 12.077 5.037 -1.058 1.00 0.00 N ATOM 172 CA GLU A 11 13.393 5.459 -1.506 1.00 0.00 C ATOM 173 C GLU A 11 13.267 6.437 -2.677 1.00 0.00 C ATOM 174 O GLU A 11 13.845 7.523 -2.648 1.00 0.00 O ATOM 175 CB GLU A 11 14.255 4.255 -1.889 1.00 0.00 C ATOM 176 CG GLU A 11 14.935 3.654 -0.657 1.00 0.00 C ATOM 177 CD GLU A 11 16.280 3.024 -1.026 1.00 0.00 C ATOM 178 OE1 GLU A 11 17.068 3.722 -1.700 1.00 0.00 O ATOM 179 OE2 GLU A 11 16.489 1.858 -0.626 1.00 0.00 O ATOM 0 H GLU A 11 11.909 4.032 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 11 13.888 5.971 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.636 3.499 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.010 4.560 -2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.086 4.429 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.286 2.900 -0.211 1.00 0.00 H new ATOM 186 N LEU A 12 12.507 6.017 -3.678 1.00 0.00 N ATOM 187 CA LEU A 12 12.298 6.842 -4.855 1.00 0.00 C ATOM 188 C LEU A 12 11.756 8.207 -4.426 1.00 0.00 C ATOM 189 O LEU A 12 12.257 9.243 -4.862 1.00 0.00 O ATOM 190 CB LEU A 12 11.407 6.117 -5.866 1.00 0.00 C ATOM 191 CG LEU A 12 10.915 6.954 -7.048 1.00 0.00 C ATOM 192 CD1 LEU A 12 12.085 7.411 -7.921 1.00 0.00 C ATOM 193 CD2 LEU A 12 9.860 6.195 -7.856 1.00 0.00 C ATOM 0 H LEU A 12 12.029 5.116 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 12 13.243 7.020 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.957 5.261 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.538 5.724 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 12 10.436 7.851 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.708 8.004 -8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.769 8.016 -7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.614 6.539 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.527 6.812 -8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.291 5.270 -8.239 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.010 5.962 -7.215 1.00 0.00 H new ATOM 205 N PHE A 13 10.740 8.165 -3.578 1.00 0.00 N ATOM 206 CA PHE A 13 10.125 9.386 -3.085 1.00 0.00 C ATOM 207 C PHE A 13 11.169 10.312 -2.459 1.00 0.00 C ATOM 208 O PHE A 13 11.336 11.450 -2.895 1.00 0.00 O ATOM 209 CB PHE A 13 9.114 8.976 -2.012 1.00 0.00 C ATOM 210 CG PHE A 13 8.198 10.112 -1.553 1.00 0.00 C ATOM 211 CD1 PHE A 13 7.295 10.649 -2.418 1.00 0.00 C ATOM 212 CD2 PHE A 13 8.286 10.586 -0.281 1.00 0.00 C ATOM 213 CE1 PHE A 13 6.445 11.703 -1.992 1.00 0.00 C ATOM 214 CE2 PHE A 13 7.436 11.641 0.144 1.00 0.00 C ATOM 215 CZ PHE A 13 6.533 12.177 -0.720 1.00 0.00 C ATOM 0 H PHE A 13 10.327 7.304 -3.219 1.00 0.00 H new ATOM 0 HA PHE A 13 9.651 9.922 -3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.500 8.162 -2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.654 8.587 -1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.225 10.273 -3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.002 10.160 0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.728 12.129 -2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.507 12.018 1.154 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.886 12.979 -0.396 1.00 0.00 H new ATOM 225 N LYS A 14 11.844 9.789 -1.445 1.00 0.00 N ATOM 226 CA LYS A 14 12.868 10.555 -0.755 1.00 0.00 C ATOM 227 C LYS A 14 13.967 10.940 -1.747 1.00 0.00 C ATOM 228 O LYS A 14 14.742 11.861 -1.493 1.00 0.00 O ATOM 229 CB LYS A 14 13.381 9.786 0.464 1.00 0.00 C ATOM 230 CG LYS A 14 14.607 10.474 1.070 1.00 0.00 C ATOM 231 CD LYS A 14 15.218 9.622 2.185 1.00 0.00 C ATOM 232 CE LYS A 14 16.676 9.279 1.876 1.00 0.00 C ATOM 233 NZ LYS A 14 17.221 8.359 2.899 1.00 0.00 N ATOM 0 H LYS A 14 11.702 8.845 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 14 12.451 11.484 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.592 9.716 1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.637 8.767 0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.351 10.650 0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.323 11.449 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.160 10.159 3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.642 8.704 2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.746 8.819 0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.272 10.191 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.212 8.137 2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.172 8.811 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.663 7.481 2.909 1.00 0.00 H new ATOM 247 N SER A 15 14.000 10.216 -2.855 1.00 0.00 N ATOM 248 CA SER A 15 14.992 10.470 -3.887 1.00 0.00 C ATOM 249 C SER A 15 14.485 11.550 -4.845 1.00 0.00 C ATOM 250 O SER A 15 15.275 12.309 -5.403 1.00 0.00 O ATOM 251 CB SER A 15 15.325 9.191 -4.657 1.00 0.00 C ATOM 252 OG SER A 15 16.211 9.439 -5.745 1.00 0.00 O ATOM 0 H SER A 15 13.356 9.453 -3.062 1.00 0.00 H new ATOM 0 HA SER A 15 15.905 10.820 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.777 8.467 -3.979 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.405 8.744 -5.033 1.00 0.00 H new ATOM 0 HG SER A 15 16.401 8.598 -6.211 1.00 0.00 H new ATOM 258 N LEU A 16 13.170 11.584 -5.006 1.00 0.00 N ATOM 259 CA LEU A 16 12.549 12.558 -5.886 1.00 0.00 C ATOM 260 C LEU A 16 12.670 13.951 -5.265 1.00 0.00 C ATOM 261 O LEU A 16 12.856 14.082 -4.056 1.00 0.00 O ATOM 262 CB LEU A 16 11.110 12.151 -6.206 1.00 0.00 C ATOM 263 CG LEU A 16 10.940 11.072 -7.277 1.00 0.00 C ATOM 264 CD1 LEU A 16 9.466 10.704 -7.457 1.00 0.00 C ATOM 265 CD2 LEU A 16 11.589 11.500 -8.595 1.00 0.00 C ATOM 0 H LEU A 16 12.518 10.952 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 16 13.067 12.589 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.640 11.800 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.564 13.039 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 16 11.457 10.173 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.374 9.935 -8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.068 10.327 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.905 11.588 -7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.454 10.715 -9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.122 12.419 -8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.654 11.671 -8.438 1.00 0.00 H new ATOM 277 N PRO A 17 12.558 14.984 -6.143 1.00 0.00 N ATOM 278 CA PRO A 17 12.653 16.362 -5.693 1.00 0.00 C ATOM 279 C PRO A 17 11.375 16.792 -4.970 1.00 0.00 C ATOM 280 O PRO A 17 10.271 16.500 -5.427 1.00 0.00 O ATOM 281 CB PRO A 17 12.924 17.169 -6.953 1.00 0.00 C ATOM 282 CG PRO A 17 12.510 16.281 -8.114 1.00 0.00 C ATOM 283 CD PRO A 17 12.339 14.867 -7.582 1.00 0.00 C ATOM 0 HA PRO A 17 13.447 16.512 -4.961 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.356 18.099 -6.951 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.978 17.439 -7.025 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.579 16.638 -8.555 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.264 16.304 -8.900 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.344 14.479 -7.801 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.055 14.183 -8.037 1.00 0.00 H new ATOM 291 N LYS A 18 11.568 17.480 -3.854 1.00 0.00 N ATOM 292 CA LYS A 18 10.444 17.953 -3.064 1.00 0.00 C ATOM 293 C LYS A 18 9.305 18.365 -3.999 1.00 0.00 C ATOM 294 O LYS A 18 8.270 17.703 -4.052 1.00 0.00 O ATOM 295 CB LYS A 18 10.890 19.065 -2.111 1.00 0.00 C ATOM 296 CG LYS A 18 9.939 19.178 -0.918 1.00 0.00 C ATOM 297 CD LYS A 18 10.541 20.055 0.182 1.00 0.00 C ATOM 298 CE LYS A 18 10.923 19.217 1.404 1.00 0.00 C ATOM 299 NZ LYS A 18 9.880 19.319 2.449 1.00 0.00 N ATOM 0 H LYS A 18 12.485 17.721 -3.478 1.00 0.00 H new ATOM 0 HA LYS A 18 10.062 17.154 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.901 18.862 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.924 20.015 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.988 19.600 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.728 18.185 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.422 20.570 -0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.824 20.823 0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.053 18.175 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.879 19.558 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.652 18.369 2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.229 19.908 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.025 19.752 2.045 1.00 0.00 H new ATOM 313 N GLU A 19 9.535 19.457 -4.714 1.00 0.00 N ATOM 314 CA GLU A 19 8.542 19.965 -5.644 1.00 0.00 C ATOM 315 C GLU A 19 7.789 18.806 -6.303 1.00 0.00 C ATOM 316 O GLU A 19 6.566 18.845 -6.423 1.00 0.00 O ATOM 317 CB GLU A 19 9.187 20.868 -6.697 1.00 0.00 C ATOM 318 CG GLU A 19 9.752 20.043 -7.855 1.00 0.00 C ATOM 319 CD GLU A 19 10.375 20.947 -8.921 1.00 0.00 C ATOM 320 OE1 GLU A 19 9.592 21.500 -9.723 1.00 0.00 O ATOM 321 OE2 GLU A 19 11.619 21.065 -8.908 1.00 0.00 O ATOM 0 H GLU A 19 10.395 20.004 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 19 7.826 20.568 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.449 21.575 -7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.985 21.454 -6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.503 19.348 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.958 19.444 -8.300 1.00 0.00 H new ATOM 328 N LEU A 20 8.553 17.803 -6.711 1.00 0.00 N ATOM 329 CA LEU A 20 7.974 16.636 -7.354 1.00 0.00 C ATOM 330 C LEU A 20 7.241 15.794 -6.307 1.00 0.00 C ATOM 331 O LEU A 20 6.079 15.438 -6.495 1.00 0.00 O ATOM 332 CB LEU A 20 9.045 15.863 -8.125 1.00 0.00 C ATOM 333 CG LEU A 20 9.380 16.393 -9.521 1.00 0.00 C ATOM 334 CD1 LEU A 20 10.303 15.428 -10.267 1.00 0.00 C ATOM 335 CD2 LEU A 20 8.107 16.697 -10.313 1.00 0.00 C ATOM 0 H LEU A 20 9.567 17.775 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 20 7.235 16.937 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.959 15.857 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.720 14.827 -8.220 1.00 0.00 H new ATOM 0 HG LEU A 20 9.920 17.333 -9.408 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.525 15.829 -11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.231 15.306 -9.708 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.812 14.460 -10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.374 17.072 -11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.517 15.786 -10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.521 17.450 -9.785 1.00 0.00 H new ATOM 347 N ARG A 21 7.951 15.499 -5.228 1.00 0.00 N ATOM 348 CA ARG A 21 7.384 14.706 -4.152 1.00 0.00 C ATOM 349 C ARG A 21 5.909 15.061 -3.951 1.00 0.00 C ATOM 350 O ARG A 21 5.098 14.197 -3.621 1.00 0.00 O ATOM 351 CB ARG A 21 8.139 14.934 -2.841 1.00 0.00 C ATOM 352 CG ARG A 21 9.517 14.271 -2.880 1.00 0.00 C ATOM 353 CD ARG A 21 10.199 14.343 -1.512 1.00 0.00 C ATOM 354 NE ARG A 21 11.604 14.782 -1.669 1.00 0.00 N ATOM 355 CZ ARG A 21 12.413 15.092 -0.647 1.00 0.00 C ATOM 356 NH1 ARG A 21 11.962 15.013 0.612 1.00 0.00 N ATOM 357 NH2 ARG A 21 13.673 15.482 -0.884 1.00 0.00 N ATOM 0 H ARG A 21 8.915 15.796 -5.076 1.00 0.00 H new ATOM 0 HA ARG A 21 7.474 13.656 -4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.251 16.004 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.561 14.531 -2.009 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.415 13.230 -3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.140 14.762 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.663 15.037 -0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.166 13.367 -1.028 1.00 0.00 H new ATOM 0 HE ARG A 21 11.980 14.853 -2.615 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.003 14.717 0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.578 15.249 1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.016 15.543 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.289 15.718 -0.106 1.00 0.00 H new ATOM 371 N SER A 22 5.607 16.335 -4.158 1.00 0.00 N ATOM 372 CA SER A 22 4.244 16.815 -4.004 1.00 0.00 C ATOM 373 C SER A 22 3.317 16.076 -4.971 1.00 0.00 C ATOM 374 O SER A 22 2.311 15.502 -4.555 1.00 0.00 O ATOM 375 CB SER A 22 4.163 18.325 -4.239 1.00 0.00 C ATOM 376 OG SER A 22 3.438 18.987 -3.207 1.00 0.00 O ATOM 0 H SER A 22 6.283 17.049 -4.431 1.00 0.00 H new ATOM 0 HA SER A 22 3.924 16.616 -2.981 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.170 18.738 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.684 18.517 -5.199 1.00 0.00 H new ATOM 0 HG SER A 22 3.410 19.949 -3.392 1.00 0.00 H new ATOM 382 N GLN A 23 3.687 16.115 -6.242 1.00 0.00 N ATOM 383 CA GLN A 23 2.900 15.456 -7.271 1.00 0.00 C ATOM 384 C GLN A 23 2.924 13.940 -7.068 1.00 0.00 C ATOM 385 O GLN A 23 1.910 13.269 -7.253 1.00 0.00 O ATOM 386 CB GLN A 23 3.401 15.831 -8.668 1.00 0.00 C ATOM 387 CG GLN A 23 4.461 14.841 -9.154 1.00 0.00 C ATOM 388 CD GLN A 23 5.076 15.301 -10.477 1.00 0.00 C ATOM 389 OE1 GLN A 23 4.939 16.441 -10.892 1.00 0.00 O ATOM 390 NE2 GLN A 23 5.759 14.355 -11.115 1.00 0.00 N ATOM 0 H GLN A 23 4.521 16.593 -6.583 1.00 0.00 H new ATOM 0 HA GLN A 23 1.868 15.797 -7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.564 15.846 -9.367 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.819 16.837 -8.650 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.243 14.741 -8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.012 13.856 -9.281 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.835 13.421 -10.712 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.207 14.563 -12.007 1.00 0.00 H new ATOM 399 N VAL A 24 4.093 13.444 -6.691 1.00 0.00 N ATOM 400 CA VAL A 24 4.263 12.019 -6.461 1.00 0.00 C ATOM 401 C VAL A 24 3.123 11.511 -5.575 1.00 0.00 C ATOM 402 O VAL A 24 2.336 10.664 -5.996 1.00 0.00 O ATOM 403 CB VAL A 24 5.647 11.746 -5.869 1.00 0.00 C ATOM 404 CG1 VAL A 24 5.803 10.269 -5.499 1.00 0.00 C ATOM 405 CG2 VAL A 24 6.751 12.190 -6.830 1.00 0.00 C ATOM 0 H VAL A 24 4.932 14.004 -6.539 1.00 0.00 H new ATOM 0 HA VAL A 24 4.213 11.471 -7.402 1.00 0.00 H new ATOM 0 HB VAL A 24 5.743 12.332 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.795 10.102 -5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.048 9.997 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.677 9.655 -6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.725 11.985 -6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.658 11.643 -7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.658 13.259 -7.022 1.00 0.00 H new ATOM 415 N LEU A 25 3.070 12.050 -4.366 1.00 0.00 N ATOM 416 CA LEU A 25 2.040 11.662 -3.418 1.00 0.00 C ATOM 417 C LEU A 25 0.685 11.633 -4.127 1.00 0.00 C ATOM 418 O LEU A 25 -0.131 10.746 -3.881 1.00 0.00 O ATOM 419 CB LEU A 25 2.072 12.572 -2.189 1.00 0.00 C ATOM 420 CG LEU A 25 3.333 12.491 -1.327 1.00 0.00 C ATOM 421 CD1 LEU A 25 3.132 13.211 0.008 1.00 0.00 C ATOM 422 CD2 LEU A 25 3.773 11.038 -1.134 1.00 0.00 C ATOM 0 H LEU A 25 3.724 12.753 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 25 2.226 10.655 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.949 13.603 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.212 12.334 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 25 4.139 13.005 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.043 13.138 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.901 14.260 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.308 12.748 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.672 11.009 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.977 10.479 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.984 10.590 -2.105 1.00 0.00 H new ATOM 434 N LEU A 26 0.486 12.615 -4.994 1.00 0.00 N ATOM 435 CA LEU A 26 -0.757 12.714 -5.741 1.00 0.00 C ATOM 436 C LEU A 26 -0.844 11.553 -6.733 1.00 0.00 C ATOM 437 O LEU A 26 -1.846 10.839 -6.772 1.00 0.00 O ATOM 438 CB LEU A 26 -0.881 14.092 -6.395 1.00 0.00 C ATOM 439 CG LEU A 26 -1.499 15.192 -5.529 1.00 0.00 C ATOM 440 CD1 LEU A 26 -3.019 15.039 -5.452 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.854 15.225 -4.142 1.00 0.00 C ATOM 0 H LEU A 26 1.165 13.349 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.612 12.627 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.113 14.416 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.480 13.990 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.296 16.154 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.434 15.833 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.442 15.104 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.266 14.071 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.311 16.015 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.005 14.265 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.214 15.418 -4.242 1.00 0.00 H new ATOM 453 N GLU A 27 0.218 11.399 -7.510 1.00 0.00 N ATOM 454 CA GLU A 27 0.273 10.336 -8.499 1.00 0.00 C ATOM 455 C GLU A 27 -0.160 9.007 -7.876 1.00 0.00 C ATOM 456 O GLU A 27 -1.014 8.311 -8.422 1.00 0.00 O ATOM 457 CB GLU A 27 1.673 10.225 -9.108 1.00 0.00 C ATOM 458 CG GLU A 27 2.088 11.540 -9.771 1.00 0.00 C ATOM 459 CD GLU A 27 2.496 11.314 -11.228 1.00 0.00 C ATOM 460 OE1 GLU A 27 3.574 10.714 -11.429 1.00 0.00 O ATOM 461 OE2 GLU A 27 1.721 11.746 -12.108 1.00 0.00 O ATOM 0 H GLU A 27 1.047 11.992 -7.475 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.420 10.580 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.392 9.962 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.691 9.421 -9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.262 12.250 -9.727 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.919 11.982 -9.221 1.00 0.00 H new ATOM 468 N TYR A 28 0.449 8.696 -6.741 1.00 0.00 N ATOM 469 CA TYR A 28 0.137 7.463 -6.038 1.00 0.00 C ATOM 470 C TYR A 28 -1.373 7.224 -5.995 1.00 0.00 C ATOM 471 O TYR A 28 -1.852 6.176 -6.425 1.00 0.00 O ATOM 472 CB TYR A 28 0.653 7.651 -4.610 1.00 0.00 C ATOM 473 CG TYR A 28 2.126 7.281 -4.427 1.00 0.00 C ATOM 474 CD1 TYR A 28 3.045 7.601 -5.407 1.00 0.00 C ATOM 475 CD2 TYR A 28 2.537 6.628 -3.283 1.00 0.00 C ATOM 476 CE1 TYR A 28 4.431 7.253 -5.235 1.00 0.00 C ATOM 477 CE2 TYR A 28 3.924 6.281 -3.111 1.00 0.00 C ATOM 478 CZ TYR A 28 4.803 6.611 -4.095 1.00 0.00 C ATOM 479 OH TYR A 28 6.113 6.282 -3.933 1.00 0.00 O ATOM 0 H TYR A 28 1.157 9.276 -6.291 1.00 0.00 H new ATOM 0 HA TYR A 28 0.593 6.609 -6.539 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.511 8.691 -4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.050 7.045 -3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.724 8.112 -6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.819 6.377 -2.517 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.159 7.496 -5.994 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.259 5.770 -2.220 1.00 0.00 H new ATOM 0 HH TYR A 28 6.420 6.587 -3.054 1.00 0.00 H new ATOM 489 N ALA A 29 -2.082 8.214 -5.472 1.00 0.00 N ATOM 490 CA ALA A 29 -3.529 8.124 -5.366 1.00 0.00 C ATOM 491 C ALA A 29 -4.120 7.846 -6.750 1.00 0.00 C ATOM 492 O ALA A 29 -5.138 7.166 -6.868 1.00 0.00 O ATOM 493 CB ALA A 29 -4.076 9.412 -4.746 1.00 0.00 C ATOM 0 H ALA A 29 -1.682 9.082 -5.117 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.816 7.300 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.161 9.345 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.647 9.549 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.810 10.261 -5.376 1.00 0.00 H new ATOM 499 N ALA A 30 -3.456 8.386 -7.761 1.00 0.00 N ATOM 500 CA ALA A 30 -3.904 8.205 -9.132 1.00 0.00 C ATOM 501 C ALA A 30 -3.737 6.736 -9.528 1.00 0.00 C ATOM 502 O ALA A 30 -4.435 6.245 -10.413 1.00 0.00 O ATOM 503 CB ALA A 30 -3.127 9.149 -10.052 1.00 0.00 C ATOM 0 H ALA A 30 -2.612 8.949 -7.659 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.961 8.454 -9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.463 9.013 -11.080 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.302 10.181 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.062 8.927 -9.986 1.00 0.00 H new ATOM 509 N LYS A 31 -2.806 6.077 -8.853 1.00 0.00 N ATOM 510 CA LYS A 31 -2.539 4.674 -9.124 1.00 0.00 C ATOM 511 C LYS A 31 -3.271 3.812 -8.094 1.00 0.00 C ATOM 512 O LYS A 31 -2.732 2.813 -7.619 1.00 0.00 O ATOM 513 CB LYS A 31 -1.031 4.418 -9.180 1.00 0.00 C ATOM 514 CG LYS A 31 -0.404 5.101 -10.397 1.00 0.00 C ATOM 515 CD LYS A 31 0.330 6.380 -9.989 1.00 0.00 C ATOM 516 CE LYS A 31 1.792 6.340 -10.437 1.00 0.00 C ATOM 517 NZ LYS A 31 1.892 5.880 -11.841 1.00 0.00 N ATOM 0 H LYS A 31 -2.228 6.488 -8.120 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.924 4.395 -10.105 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.562 4.788 -8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.842 3.345 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.292 4.418 -10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.180 5.339 -11.125 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.166 7.245 -10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.281 6.502 -8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.235 7.331 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.359 5.673 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.706 6.337 -12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.019 4.848 -11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.021 6.131 -12.352 1.00 0.00 H new ATOM 531 N VAL A 32 -4.489 4.229 -7.779 1.00 0.00 N ATOM 532 CA VAL A 32 -5.301 3.507 -6.814 1.00 0.00 C ATOM 533 C VAL A 32 -6.638 3.133 -7.458 1.00 0.00 C ATOM 534 O VAL A 32 -7.537 3.966 -7.558 1.00 0.00 O ATOM 535 CB VAL A 32 -5.462 4.338 -5.540 1.00 0.00 C ATOM 536 CG1 VAL A 32 -6.537 3.742 -4.628 1.00 0.00 C ATOM 537 CG2 VAL A 32 -4.130 4.474 -4.801 1.00 0.00 C ATOM 0 H VAL A 32 -4.933 5.058 -8.175 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.811 2.579 -6.520 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.786 5.337 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.631 4.352 -3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.491 3.722 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.255 2.727 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.273 5.069 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.763 3.485 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.403 4.965 -5.448 1.00 0.00 H new ATOM 547 N PRO A 33 -6.728 1.846 -7.888 1.00 0.00 N ATOM 548 CA PRO A 33 -7.940 1.352 -8.519 1.00 0.00 C ATOM 549 C PRO A 33 -9.042 1.119 -7.483 1.00 0.00 C ATOM 550 O PRO A 33 -8.759 0.949 -6.298 1.00 0.00 O ATOM 551 CB PRO A 33 -7.520 0.078 -9.235 1.00 0.00 C ATOM 552 CG PRO A 33 -6.205 -0.342 -8.599 1.00 0.00 C ATOM 553 CD PRO A 33 -5.684 0.832 -7.786 1.00 0.00 C ATOM 0 HA PRO A 33 -8.369 2.066 -9.222 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.275 -0.700 -9.122 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.399 0.252 -10.304 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.351 -1.213 -7.961 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.484 -0.626 -9.365 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.508 0.548 -6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.737 1.198 -8.181 1.00 0.00 H new ATOM 561 N PRO A 34 -10.308 1.120 -7.980 1.00 0.00 N ATOM 562 CA PRO A 34 -11.454 0.911 -7.111 1.00 0.00 C ATOM 563 C PRO A 34 -11.575 -0.560 -6.708 1.00 0.00 C ATOM 564 O PRO A 34 -11.092 -1.443 -7.415 1.00 0.00 O ATOM 565 CB PRO A 34 -12.648 1.409 -7.908 1.00 0.00 C ATOM 566 CG PRO A 34 -12.195 1.445 -9.359 1.00 0.00 C ATOM 567 CD PRO A 34 -10.681 1.318 -9.378 1.00 0.00 C ATOM 0 HA PRO A 34 -11.370 1.449 -6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.505 0.747 -7.783 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -12.958 2.398 -7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -12.653 0.632 -9.922 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.506 2.376 -9.833 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.362 0.479 -9.996 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -10.214 2.213 -9.790 1.00 0.00 H new ATOM 575 N PRO A 35 -12.241 -0.784 -5.544 1.00 0.00 N ATOM 576 CA PRO A 35 -12.433 -2.133 -5.038 1.00 0.00 C ATOM 577 C PRO A 35 -13.510 -2.869 -5.836 1.00 0.00 C ATOM 578 O PRO A 35 -14.329 -2.242 -6.507 1.00 0.00 O ATOM 579 CB PRO A 35 -12.795 -1.956 -3.573 1.00 0.00 C ATOM 580 CG PRO A 35 -13.248 -0.512 -3.427 1.00 0.00 C ATOM 581 CD PRO A 35 -12.827 0.237 -4.681 1.00 0.00 C ATOM 0 HA PRO A 35 -11.542 -2.752 -5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.587 -2.645 -3.280 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.939 -2.163 -2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.329 -0.462 -3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.800 -0.059 -2.543 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.680 0.718 -5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.106 1.022 -4.450 1.00 0.00 H new ATOM 589 N PRO A 36 -13.475 -4.225 -5.735 1.00 0.00 N ATOM 590 CA PRO A 36 -14.438 -5.054 -6.439 1.00 0.00 C ATOM 591 C PRO A 36 -15.807 -5.004 -5.756 1.00 0.00 C ATOM 592 O PRO A 36 -15.892 -4.874 -4.536 1.00 0.00 O ATOM 593 CB PRO A 36 -13.829 -6.446 -6.446 1.00 0.00 C ATOM 594 CG PRO A 36 -12.776 -6.446 -5.349 1.00 0.00 C ATOM 595 CD PRO A 36 -12.520 -5.002 -4.949 1.00 0.00 C ATOM 0 HA PRO A 36 -14.624 -4.710 -7.457 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.588 -7.205 -6.259 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.384 -6.673 -7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.118 -7.025 -4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.857 -6.913 -5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.674 -4.854 -3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.494 -4.706 -5.168 1.00 0.00 H new ATOM 603 N PRO A 37 -16.872 -5.112 -6.595 1.00 0.00 N ATOM 604 CA PRO A 37 -18.232 -5.080 -6.086 1.00 0.00 C ATOM 605 C PRO A 37 -18.593 -6.401 -5.403 1.00 0.00 C ATOM 606 O PRO A 37 -19.548 -7.068 -5.797 1.00 0.00 O ATOM 607 CB PRO A 37 -19.099 -4.783 -7.298 1.00 0.00 C ATOM 608 CG PRO A 37 -18.248 -5.119 -8.512 1.00 0.00 C ATOM 609 CD PRO A 37 -16.809 -5.267 -8.046 1.00 0.00 C ATOM 0 HA PRO A 37 -18.375 -4.322 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -20.010 -5.381 -7.282 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -19.404 -3.737 -7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.595 -6.041 -8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.327 -4.333 -9.263 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.401 -6.239 -8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.167 -4.511 -8.498 1.00 0.00 H new ATOM 617 N GLY A 38 -17.809 -6.739 -4.389 1.00 0.00 N ATOM 618 CA GLY A 38 -18.033 -7.968 -3.647 1.00 0.00 C ATOM 619 C GLY A 38 -16.988 -8.141 -2.544 1.00 0.00 C ATOM 620 O GLY A 38 -16.515 -9.250 -2.299 1.00 0.00 O ATOM 0 H GLY A 38 -17.018 -6.183 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.031 -7.955 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.994 -8.819 -4.326 1.00 0.00 H new ATOM 624 N VAL A 39 -16.657 -7.028 -1.906 1.00 0.00 N ATOM 625 CA VAL A 39 -15.676 -7.042 -0.834 1.00 0.00 C ATOM 626 C VAL A 39 -16.088 -6.035 0.241 1.00 0.00 C ATOM 627 O VAL A 39 -16.474 -4.910 -0.072 1.00 0.00 O ATOM 628 CB VAL A 39 -14.279 -6.775 -1.399 1.00 0.00 C ATOM 629 CG1 VAL A 39 -13.253 -6.623 -0.275 1.00 0.00 C ATOM 630 CG2 VAL A 39 -13.864 -7.877 -2.376 1.00 0.00 C ATOM 0 H VAL A 39 -17.051 -6.110 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 39 -15.639 -8.024 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.314 -5.835 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.269 -6.434 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.536 -5.788 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.222 -7.539 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.868 -7.664 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.855 -8.837 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -14.574 -7.917 -3.202 1.00 0.00 H new ATOM 640 N GLU A 40 -15.992 -6.476 1.487 1.00 0.00 N ATOM 641 CA GLU A 40 -16.350 -5.627 2.611 1.00 0.00 C ATOM 642 C GLU A 40 -15.104 -4.941 3.175 1.00 0.00 C ATOM 643 O GLU A 40 -14.145 -5.606 3.561 1.00 0.00 O ATOM 644 CB GLU A 40 -17.072 -6.429 3.695 1.00 0.00 C ATOM 645 CG GLU A 40 -17.084 -5.669 5.023 1.00 0.00 C ATOM 646 CD GLU A 40 -18.321 -6.028 5.849 1.00 0.00 C ATOM 647 OE1 GLU A 40 -19.368 -5.390 5.610 1.00 0.00 O ATOM 648 OE2 GLU A 40 -18.191 -6.933 6.702 1.00 0.00 O ATOM 0 H GLU A 40 -15.672 -7.410 1.743 1.00 0.00 H new ATOM 0 HA GLU A 40 -17.036 -4.858 2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -18.095 -6.634 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -16.580 -7.393 3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.183 -5.905 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -17.069 -4.596 4.832 1.00 0.00 H new ATOM 655 N LEU A 41 -15.160 -3.617 3.205 1.00 0.00 N ATOM 656 CA LEU A 41 -14.048 -2.833 3.716 1.00 0.00 C ATOM 657 C LEU A 41 -14.446 -2.203 5.052 1.00 0.00 C ATOM 658 O LEU A 41 -15.624 -1.946 5.296 1.00 0.00 O ATOM 659 CB LEU A 41 -13.585 -1.816 2.670 1.00 0.00 C ATOM 660 CG LEU A 41 -13.136 -2.393 1.326 1.00 0.00 C ATOM 661 CD1 LEU A 41 -14.173 -2.115 0.236 1.00 0.00 C ATOM 662 CD2 LEU A 41 -11.749 -1.875 0.943 1.00 0.00 C ATOM 0 H LEU A 41 -15.957 -3.068 2.884 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.187 -3.473 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.400 -1.115 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.759 -1.242 3.091 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.058 -3.475 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.829 -2.536 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.123 -2.572 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.307 -1.039 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.454 -2.300 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.775 -0.788 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.028 -2.167 1.707 1.00 0.00 H new ATOM 674 N GLU A 42 -13.440 -1.972 5.883 1.00 0.00 N ATOM 675 CA GLU A 42 -13.669 -1.377 7.189 1.00 0.00 C ATOM 676 C GLU A 42 -13.168 0.068 7.209 1.00 0.00 C ATOM 677 O GLU A 42 -12.006 0.330 6.902 1.00 0.00 O ATOM 678 CB GLU A 42 -13.006 -2.204 8.293 1.00 0.00 C ATOM 679 CG GLU A 42 -13.967 -2.432 9.460 1.00 0.00 C ATOM 680 CD GLU A 42 -14.465 -3.878 9.486 1.00 0.00 C ATOM 681 OE1 GLU A 42 -15.213 -4.238 8.551 1.00 0.00 O ATOM 682 OE2 GLU A 42 -14.087 -4.592 10.440 1.00 0.00 O ATOM 0 H GLU A 42 -12.464 -2.186 5.677 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.742 -1.371 7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.684 -3.164 7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.112 -1.692 8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.465 -2.199 10.399 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.815 -1.753 9.375 1.00 0.00 H new ATOM 689 N ARG A 43 -14.069 0.968 7.575 1.00 0.00 N ATOM 690 CA ARG A 43 -13.732 2.380 7.639 1.00 0.00 C ATOM 691 C ARG A 43 -12.659 2.622 8.703 1.00 0.00 C ATOM 692 O ARG A 43 -12.613 1.923 9.714 1.00 0.00 O ATOM 693 CB ARG A 43 -14.964 3.226 7.967 1.00 0.00 C ATOM 694 CG ARG A 43 -14.565 4.653 8.347 1.00 0.00 C ATOM 695 CD ARG A 43 -15.686 5.642 8.021 1.00 0.00 C ATOM 696 NE ARG A 43 -16.875 5.350 8.852 1.00 0.00 N ATOM 697 CZ ARG A 43 -18.007 6.066 8.822 1.00 0.00 C ATOM 698 NH1 ARG A 43 -18.111 7.120 8.001 1.00 0.00 N ATOM 699 NH2 ARG A 43 -19.036 5.728 9.611 1.00 0.00 N ATOM 0 H ARG A 43 -15.032 0.747 7.830 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.352 2.675 6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.633 3.249 7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.516 2.768 8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.334 4.698 9.411 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.659 4.936 7.811 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.347 6.662 8.202 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.945 5.575 6.964 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.830 4.554 9.488 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.329 7.377 7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.973 7.665 7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.958 4.925 10.235 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.897 6.274 9.587 1.00 0.00 H new ATOM 713 N VAL A 44 -11.822 3.615 8.438 1.00 0.00 N ATOM 714 CA VAL A 44 -10.752 3.957 9.360 1.00 0.00 C ATOM 715 C VAL A 44 -11.184 5.151 10.214 1.00 0.00 C ATOM 716 O VAL A 44 -10.972 6.301 9.832 1.00 0.00 O ATOM 717 CB VAL A 44 -9.457 4.213 8.586 1.00 0.00 C ATOM 718 CG1 VAL A 44 -8.342 4.681 9.524 1.00 0.00 C ATOM 719 CG2 VAL A 44 -9.030 2.968 7.805 1.00 0.00 C ATOM 0 H VAL A 44 -11.863 4.193 7.599 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.551 3.127 10.038 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.648 5.010 7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.433 4.856 8.949 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.644 5.606 10.015 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.154 3.915 10.276 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.107 3.177 7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.866 2.143 8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.813 2.697 7.096 1.00 0.00 H new ATOM 729 N HIS A 45 -11.780 4.837 11.355 1.00 0.00 N ATOM 730 CA HIS A 45 -12.243 5.869 12.266 1.00 0.00 C ATOM 731 C HIS A 45 -11.059 6.729 12.712 1.00 0.00 C ATOM 732 O HIS A 45 -11.235 7.884 13.095 1.00 0.00 O ATOM 733 CB HIS A 45 -13.006 5.254 13.441 1.00 0.00 C ATOM 734 CG HIS A 45 -14.508 5.314 13.298 1.00 0.00 C ATOM 735 ND1 HIS A 45 -15.167 4.920 12.147 1.00 0.00 N ATOM 736 CD2 HIS A 45 -15.471 5.724 14.172 1.00 0.00 C ATOM 737 CE1 HIS A 45 -16.468 5.090 12.330 1.00 0.00 C ATOM 738 NE2 HIS A 45 -16.654 5.589 13.586 1.00 0.00 N ATOM 0 H HIS A 45 -11.953 3.882 11.669 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.948 6.523 11.753 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.703 4.213 13.552 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.718 5.769 14.357 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -15.300 6.096 15.172 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -17.244 4.872 11.612 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -17.554 5.820 14.006 1.00 0.00 H new ATOM 746 N GLU A 46 -9.878 6.131 12.648 1.00 0.00 N ATOM 747 CA GLU A 46 -8.665 6.828 13.041 1.00 0.00 C ATOM 748 C GLU A 46 -8.457 8.066 12.166 1.00 0.00 C ATOM 749 O GLU A 46 -7.869 9.051 12.609 1.00 0.00 O ATOM 750 CB GLU A 46 -7.452 5.898 12.972 1.00 0.00 C ATOM 751 CG GLU A 46 -6.532 6.106 14.177 1.00 0.00 C ATOM 752 CD GLU A 46 -6.882 5.135 15.307 1.00 0.00 C ATOM 753 OE1 GLU A 46 -6.363 3.999 15.260 1.00 0.00 O ATOM 754 OE2 GLU A 46 -7.659 5.552 16.193 1.00 0.00 O ATOM 0 H GLU A 46 -9.736 5.172 12.330 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.775 7.153 14.076 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.786 4.861 12.940 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.899 6.084 12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.494 5.961 13.876 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.620 7.132 14.534 1.00 0.00 H new ATOM 761 N CYS A 47 -8.950 7.974 10.939 1.00 0.00 N ATOM 762 CA CYS A 47 -8.825 9.074 9.999 1.00 0.00 C ATOM 763 C CYS A 47 -10.168 9.804 9.933 1.00 0.00 C ATOM 764 O CYS A 47 -10.242 10.934 9.452 1.00 0.00 O ATOM 765 CB CYS A 47 -8.369 8.591 8.620 1.00 0.00 C ATOM 766 SG CYS A 47 -7.097 9.722 7.950 1.00 0.00 S ATOM 0 H CYS A 47 -9.436 7.155 10.575 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.054 9.764 10.343 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -7.966 7.581 8.694 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.221 8.546 7.941 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.715 9.302 6.780 1.00 0.00 H new ATOM 772 N GLN A 48 -11.197 9.129 10.422 1.00 0.00 N ATOM 773 CA GLN A 48 -12.534 9.699 10.424 1.00 0.00 C ATOM 774 C GLN A 48 -13.142 9.631 9.022 1.00 0.00 C ATOM 775 O GLN A 48 -14.192 9.021 8.825 1.00 0.00 O ATOM 776 CB GLN A 48 -12.515 11.137 10.946 1.00 0.00 C ATOM 777 CG GLN A 48 -11.434 11.320 12.012 1.00 0.00 C ATOM 778 CD GLN A 48 -11.853 12.369 13.044 1.00 0.00 C ATOM 779 OE1 GLN A 48 -12.018 13.540 12.745 1.00 0.00 O ATOM 780 NE2 GLN A 48 -12.015 11.885 14.272 1.00 0.00 N ATOM 0 H GLN A 48 -11.132 8.192 10.820 1.00 0.00 H new ATOM 0 HA GLN A 48 -13.158 9.112 11.097 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.336 11.825 10.120 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.490 11.388 11.365 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -11.245 10.369 12.511 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.500 11.623 11.539 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -11.860 10.893 14.454 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.294 12.505 15.032 1.00 0.00 H new ATOM 789 N THR A 49 -12.457 10.268 8.083 1.00 0.00 N ATOM 790 CA THR A 49 -12.917 10.288 6.705 1.00 0.00 C ATOM 791 C THR A 49 -13.446 8.911 6.300 1.00 0.00 C ATOM 792 O THR A 49 -13.132 7.908 6.939 1.00 0.00 O ATOM 793 CB THR A 49 -11.762 10.777 5.829 1.00 0.00 C ATOM 794 OG1 THR A 49 -10.733 9.815 6.042 1.00 0.00 O ATOM 795 CG2 THR A 49 -11.157 12.088 6.335 1.00 0.00 C ATOM 0 H THR A 49 -11.587 10.774 8.250 1.00 0.00 H new ATOM 0 HA THR A 49 -13.754 10.974 6.577 1.00 0.00 H new ATOM 0 HB THR A 49 -12.114 10.911 4.806 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.858 10.244 5.940 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.342 12.390 5.678 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.923 12.863 6.343 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.774 11.946 7.346 1.00 0.00 H new ATOM 803 N PRO A 50 -14.262 8.907 5.211 1.00 0.00 N ATOM 804 CA PRO A 50 -14.838 7.670 4.713 1.00 0.00 C ATOM 805 C PRO A 50 -13.790 6.836 3.973 1.00 0.00 C ATOM 806 O PRO A 50 -13.917 6.595 2.774 1.00 0.00 O ATOM 807 CB PRO A 50 -15.990 8.104 3.820 1.00 0.00 C ATOM 808 CG PRO A 50 -15.728 9.563 3.482 1.00 0.00 C ATOM 809 CD PRO A 50 -14.656 10.076 4.430 1.00 0.00 C ATOM 0 HA PRO A 50 -15.194 7.020 5.512 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.035 7.496 2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -16.946 7.987 4.331 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.401 9.662 2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.641 10.149 3.586 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.809 10.491 3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -15.041 10.869 5.071 1.00 0.00 H new ATOM 817 N PHE A 51 -12.779 6.417 4.720 1.00 0.00 N ATOM 818 CA PHE A 51 -11.710 5.615 4.151 1.00 0.00 C ATOM 819 C PHE A 51 -11.789 4.168 4.642 1.00 0.00 C ATOM 820 O PHE A 51 -11.445 3.877 5.786 1.00 0.00 O ATOM 821 CB PHE A 51 -10.390 6.229 4.621 1.00 0.00 C ATOM 822 CG PHE A 51 -9.147 5.564 4.027 1.00 0.00 C ATOM 823 CD1 PHE A 51 -9.223 4.933 2.825 1.00 0.00 C ATOM 824 CD2 PHE A 51 -7.967 5.604 4.701 1.00 0.00 C ATOM 825 CE1 PHE A 51 -8.069 4.316 2.273 1.00 0.00 C ATOM 826 CE2 PHE A 51 -6.813 4.987 4.149 1.00 0.00 C ATOM 827 CZ PHE A 51 -6.888 4.356 2.947 1.00 0.00 C ATOM 0 H PHE A 51 -12.678 6.618 5.715 1.00 0.00 H new ATOM 0 HA PHE A 51 -11.790 5.607 3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -10.381 7.288 4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.339 6.166 5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -10.161 4.901 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.907 6.105 5.656 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.129 3.815 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.876 5.019 4.684 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.010 3.887 2.527 1.00 0.00 H new ATOM 837 N PHE A 52 -12.245 3.299 3.752 1.00 0.00 N ATOM 838 CA PHE A 52 -12.373 1.889 4.080 1.00 0.00 C ATOM 839 C PHE A 52 -11.265 1.068 3.417 1.00 0.00 C ATOM 840 O PHE A 52 -10.999 1.225 2.227 1.00 0.00 O ATOM 841 CB PHE A 52 -13.727 1.426 3.539 1.00 0.00 C ATOM 842 CG PHE A 52 -14.833 2.478 3.646 1.00 0.00 C ATOM 843 CD1 PHE A 52 -15.585 2.562 4.775 1.00 0.00 C ATOM 844 CD2 PHE A 52 -15.064 3.329 2.610 1.00 0.00 C ATOM 845 CE1 PHE A 52 -16.611 3.539 4.874 1.00 0.00 C ATOM 846 CE2 PHE A 52 -16.090 4.305 2.709 1.00 0.00 C ATOM 847 CZ PHE A 52 -16.842 4.390 3.839 1.00 0.00 C ATOM 0 H PHE A 52 -12.530 3.544 2.804 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.295 1.750 5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.611 1.141 2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.037 0.532 4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -15.402 1.886 5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.467 3.262 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -17.208 3.606 5.772 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -16.274 4.980 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 52 -17.622 5.133 3.914 1.00 0.00 H new ATOM 857 N VAL A 53 -10.648 0.211 4.217 1.00 0.00 N ATOM 858 CA VAL A 53 -9.575 -0.634 3.723 1.00 0.00 C ATOM 859 C VAL A 53 -9.865 -2.090 4.097 1.00 0.00 C ATOM 860 O VAL A 53 -10.616 -2.356 5.034 1.00 0.00 O ATOM 861 CB VAL A 53 -8.230 -0.137 4.257 1.00 0.00 C ATOM 862 CG1 VAL A 53 -7.970 1.308 3.828 1.00 0.00 C ATOM 863 CG2 VAL A 53 -8.156 -0.279 5.778 1.00 0.00 C ATOM 0 H VAL A 53 -10.871 0.084 5.204 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.518 -0.582 2.636 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.448 -0.761 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.008 1.637 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.957 1.368 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.759 1.951 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.190 0.082 6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.952 0.307 6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.274 -1.327 6.052 1.00 0.00 H new ATOM 873 N HIS A 54 -9.254 -2.993 3.344 1.00 0.00 N ATOM 874 CA HIS A 54 -9.438 -4.414 3.584 1.00 0.00 C ATOM 875 C HIS A 54 -8.171 -5.171 3.179 1.00 0.00 C ATOM 876 O HIS A 54 -7.803 -5.190 2.006 1.00 0.00 O ATOM 877 CB HIS A 54 -10.689 -4.929 2.870 1.00 0.00 C ATOM 878 CG HIS A 54 -10.878 -6.424 2.963 1.00 0.00 C ATOM 879 ND1 HIS A 54 -11.295 -7.056 4.122 1.00 0.00 N ATOM 880 CD2 HIS A 54 -10.704 -7.405 2.031 1.00 0.00 C ATOM 881 CE1 HIS A 54 -11.365 -8.358 3.886 1.00 0.00 C ATOM 882 NE2 HIS A 54 -10.998 -8.572 2.590 1.00 0.00 N ATOM 0 H HIS A 54 -8.632 -2.768 2.568 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.600 -4.588 4.648 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.565 -4.436 3.292 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.638 -4.644 1.819 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.382 -7.257 1.011 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.661 -9.117 4.595 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -10.956 -9.480 2.127 1.00 0.00 H new ATOM 890 N ALA A 55 -7.538 -5.775 4.174 1.00 0.00 N ATOM 891 CA ALA A 55 -6.320 -6.531 3.936 1.00 0.00 C ATOM 892 C ALA A 55 -6.629 -8.027 4.019 1.00 0.00 C ATOM 893 O ALA A 55 -7.251 -8.484 4.976 1.00 0.00 O ATOM 894 CB ALA A 55 -5.248 -6.101 4.940 1.00 0.00 C ATOM 0 H ALA A 55 -7.846 -5.756 5.146 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.932 -6.329 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.334 -6.668 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.044 -5.037 4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.601 -6.292 5.953 1.00 0.00 H new ATOM 900 N ASP A 56 -6.180 -8.748 3.002 1.00 0.00 N ATOM 901 CA ASP A 56 -6.401 -10.183 2.947 1.00 0.00 C ATOM 902 C ASP A 56 -5.344 -10.824 2.045 1.00 0.00 C ATOM 903 O ASP A 56 -4.670 -10.131 1.284 1.00 0.00 O ATOM 904 CB ASP A 56 -7.778 -10.507 2.365 1.00 0.00 C ATOM 905 CG ASP A 56 -8.907 -10.606 3.393 1.00 0.00 C ATOM 906 OD1 ASP A 56 -8.607 -10.393 4.588 1.00 0.00 O ATOM 907 OD2 ASP A 56 -10.045 -10.891 2.961 1.00 0.00 O ATOM 0 H ASP A 56 -5.664 -8.365 2.210 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.338 -10.572 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.037 -9.740 1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.715 -11.452 1.825 1.00 0.00 H new ATOM 912 N VAL A 57 -5.233 -12.139 2.159 1.00 0.00 N ATOM 913 CA VAL A 57 -4.270 -12.880 1.363 1.00 0.00 C ATOM 914 C VAL A 57 -4.936 -14.140 0.806 1.00 0.00 C ATOM 915 O VAL A 57 -5.464 -14.953 1.563 1.00 0.00 O ATOM 916 CB VAL A 57 -3.023 -13.182 2.197 1.00 0.00 C ATOM 917 CG1 VAL A 57 -3.390 -13.425 3.662 1.00 0.00 C ATOM 918 CG2 VAL A 57 -2.252 -14.371 1.620 1.00 0.00 C ATOM 0 H VAL A 57 -5.794 -12.710 2.791 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.939 -12.284 0.512 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.372 -12.309 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.486 -13.637 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.875 -12.537 4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.070 -14.274 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.371 -14.564 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.892 -15.253 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.943 -14.144 0.600 1.00 0.00 H new ATOM 928 N GLU A 58 -4.891 -14.262 -0.512 1.00 0.00 N ATOM 929 CA GLU A 58 -5.484 -15.409 -1.179 1.00 0.00 C ATOM 930 C GLU A 58 -4.397 -16.260 -1.839 1.00 0.00 C ATOM 931 O GLU A 58 -3.771 -15.832 -2.807 1.00 0.00 O ATOM 932 CB GLU A 58 -6.531 -14.966 -2.203 1.00 0.00 C ATOM 933 CG GLU A 58 -7.943 -15.071 -1.623 1.00 0.00 C ATOM 934 CD GLU A 58 -8.685 -16.277 -2.201 1.00 0.00 C ATOM 935 OE1 GLU A 58 -8.609 -16.452 -3.436 1.00 0.00 O ATOM 936 OE2 GLU A 58 -9.312 -16.997 -1.394 1.00 0.00 O ATOM 0 H GLU A 58 -4.453 -13.585 -1.137 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.990 -16.019 -0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.335 -13.938 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.454 -15.584 -3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.889 -15.159 -0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.498 -14.159 -1.841 1.00 0.00 H new ATOM 943 N GLY A 59 -4.206 -17.449 -1.288 1.00 0.00 N ATOM 944 CA GLY A 59 -3.205 -18.364 -1.811 1.00 0.00 C ATOM 945 C GLY A 59 -1.839 -18.106 -1.172 1.00 0.00 C ATOM 946 O GLY A 59 -1.455 -18.788 -0.223 1.00 0.00 O ATOM 0 H GLY A 59 -4.727 -17.800 -0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.512 -19.392 -1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.132 -18.249 -2.892 1.00 0.00 H new ATOM 950 N GLY A 60 -1.143 -17.120 -1.718 1.00 0.00 N ATOM 951 CA GLY A 60 0.172 -16.764 -1.214 1.00 0.00 C ATOM 952 C GLY A 60 0.504 -15.304 -1.531 1.00 0.00 C ATOM 953 O GLY A 60 1.673 -14.924 -1.570 1.00 0.00 O ATOM 0 H GLY A 60 -1.465 -16.556 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.208 -16.923 -0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.924 -17.416 -1.658 1.00 0.00 H new ATOM 957 N LYS A 61 -0.546 -14.526 -1.751 1.00 0.00 N ATOM 958 CA LYS A 61 -0.380 -13.117 -2.063 1.00 0.00 C ATOM 959 C LYS A 61 -1.410 -12.301 -1.280 1.00 0.00 C ATOM 960 O LYS A 61 -2.484 -12.802 -0.950 1.00 0.00 O ATOM 961 CB LYS A 61 -0.440 -12.893 -3.576 1.00 0.00 C ATOM 962 CG LYS A 61 -1.879 -12.657 -4.038 1.00 0.00 C ATOM 963 CD LYS A 61 -1.965 -12.615 -5.565 1.00 0.00 C ATOM 964 CE LYS A 61 -2.780 -11.408 -6.036 1.00 0.00 C ATOM 965 NZ LYS A 61 -2.611 -11.206 -7.493 1.00 0.00 N ATOM 0 H LYS A 61 -1.514 -14.845 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 61 0.605 -12.771 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.177 -12.036 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.026 -13.759 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.522 -13.450 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.249 -11.719 -3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.962 -12.568 -5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.423 -13.533 -5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.834 -11.560 -5.804 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.461 -10.514 -5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.170 -10.383 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.607 -11.040 -7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.937 -12.053 -8.001 1.00 0.00 H new ATOM 979 N VAL A 62 -1.046 -11.057 -1.004 1.00 0.00 N ATOM 980 CA VAL A 62 -1.925 -10.167 -0.265 1.00 0.00 C ATOM 981 C VAL A 62 -2.788 -9.376 -1.250 1.00 0.00 C ATOM 982 O VAL A 62 -2.342 -9.050 -2.349 1.00 0.00 O ATOM 983 CB VAL A 62 -1.102 -9.270 0.663 1.00 0.00 C ATOM 984 CG1 VAL A 62 -2.008 -8.337 1.469 1.00 0.00 C ATOM 985 CG2 VAL A 62 -0.214 -10.106 1.587 1.00 0.00 C ATOM 0 H VAL A 62 -0.154 -10.645 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.600 -10.739 0.372 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.452 -8.652 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.398 -7.711 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.578 -7.705 0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.694 -8.929 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.360 -9.445 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.837 -10.761 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.469 -10.709 0.988 1.00 0.00 H new ATOM 995 N ARG A 63 -4.008 -9.089 -0.821 1.00 0.00 N ATOM 996 CA ARG A 63 -4.938 -8.343 -1.651 1.00 0.00 C ATOM 997 C ARG A 63 -5.337 -7.038 -0.959 1.00 0.00 C ATOM 998 O ARG A 63 -6.160 -7.043 -0.045 1.00 0.00 O ATOM 999 CB ARG A 63 -6.196 -9.163 -1.944 1.00 0.00 C ATOM 1000 CG ARG A 63 -5.876 -10.351 -2.854 1.00 0.00 C ATOM 1001 CD ARG A 63 -5.576 -9.884 -4.280 1.00 0.00 C ATOM 1002 NE ARG A 63 -6.420 -10.626 -5.243 1.00 0.00 N ATOM 1003 CZ ARG A 63 -6.638 -10.237 -6.507 1.00 0.00 C ATOM 1004 NH1 ARG A 63 -6.075 -9.112 -6.967 1.00 0.00 N ATOM 1005 NH2 ARG A 63 -7.419 -10.973 -7.309 1.00 0.00 N ATOM 0 H ARG A 63 -4.374 -9.360 0.092 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.437 -8.120 -2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.626 -9.522 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.946 -8.529 -2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.019 -10.896 -2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.718 -11.043 -2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.764 -8.814 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.522 -10.043 -4.509 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.864 -11.488 -4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.481 -8.552 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.240 -8.815 -7.929 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.848 -11.829 -6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.585 -10.677 -8.271 1.00 0.00 H new ATOM 1019 N LEU A 64 -4.737 -5.952 -1.423 1.00 0.00 N ATOM 1020 CA LEU A 64 -5.020 -4.642 -0.860 1.00 0.00 C ATOM 1021 C LEU A 64 -6.308 -4.094 -1.477 1.00 0.00 C ATOM 1022 O LEU A 64 -6.525 -4.220 -2.681 1.00 0.00 O ATOM 1023 CB LEU A 64 -3.814 -3.715 -1.027 1.00 0.00 C ATOM 1024 CG LEU A 64 -2.858 -3.635 0.165 1.00 0.00 C ATOM 1025 CD1 LEU A 64 -1.634 -2.782 -0.170 1.00 0.00 C ATOM 1026 CD2 LEU A 64 -3.583 -3.132 1.416 1.00 0.00 C ATOM 0 H LEU A 64 -4.056 -5.952 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.188 -4.717 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.248 -4.042 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.180 -2.711 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.499 -4.641 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.971 -2.742 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.103 -3.223 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.954 -1.773 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.881 -3.084 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.989 -2.138 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.396 -3.815 1.665 1.00 0.00 H new ATOM 1038 N TYR A 65 -7.128 -3.497 -0.625 1.00 0.00 N ATOM 1039 CA TYR A 65 -8.388 -2.929 -1.072 1.00 0.00 C ATOM 1040 C TYR A 65 -8.679 -1.609 -0.355 1.00 0.00 C ATOM 1041 O TYR A 65 -8.786 -1.573 0.870 1.00 0.00 O ATOM 1042 CB TYR A 65 -9.466 -3.948 -0.696 1.00 0.00 C ATOM 1043 CG TYR A 65 -9.413 -5.240 -1.514 1.00 0.00 C ATOM 1044 CD1 TYR A 65 -9.755 -5.225 -2.851 1.00 0.00 C ATOM 1045 CD2 TYR A 65 -9.023 -6.420 -0.915 1.00 0.00 C ATOM 1046 CE1 TYR A 65 -9.705 -6.441 -3.621 1.00 0.00 C ATOM 1047 CE2 TYR A 65 -8.973 -7.636 -1.684 1.00 0.00 C ATOM 1048 CZ TYR A 65 -9.317 -7.587 -2.999 1.00 0.00 C ATOM 1049 OH TYR A 65 -9.270 -8.735 -3.726 1.00 0.00 O ATOM 0 H TYR A 65 -6.944 -3.394 0.373 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.360 -2.726 -2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.365 -4.195 0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.446 -3.489 -0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.060 -4.301 -3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.755 -6.432 0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.969 -6.443 -4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.669 -8.566 -1.227 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.975 -9.473 -3.153 1.00 0.00 H new ATOM 1059 N PHE A 66 -8.800 -0.556 -1.150 1.00 0.00 N ATOM 1060 CA PHE A 66 -9.077 0.763 -0.607 1.00 0.00 C ATOM 1061 C PHE A 66 -10.337 1.362 -1.236 1.00 0.00 C ATOM 1062 O PHE A 66 -10.551 1.239 -2.441 1.00 0.00 O ATOM 1063 CB PHE A 66 -7.878 1.650 -0.952 1.00 0.00 C ATOM 1064 CG PHE A 66 -6.577 1.232 -0.264 1.00 0.00 C ATOM 1065 CD1 PHE A 66 -6.362 1.559 1.038 1.00 0.00 C ATOM 1066 CD2 PHE A 66 -5.636 0.535 -0.955 1.00 0.00 C ATOM 1067 CE1 PHE A 66 -5.154 1.172 1.677 1.00 0.00 C ATOM 1068 CE2 PHE A 66 -4.428 0.147 -0.316 1.00 0.00 C ATOM 1069 CZ PHE A 66 -4.213 0.474 0.987 1.00 0.00 C ATOM 0 H PHE A 66 -8.711 -0.589 -2.166 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.237 0.696 0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.727 1.636 -2.031 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.109 2.679 -0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.110 2.113 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.807 0.276 -1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.983 1.432 2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.681 -0.407 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.295 0.179 1.473 1.00 0.00 H new ATOM 1079 N HIS A 67 -11.137 1.997 -0.392 1.00 0.00 N ATOM 1080 CA HIS A 67 -12.369 2.615 -0.851 1.00 0.00 C ATOM 1081 C HIS A 67 -12.465 4.038 -0.299 1.00 0.00 C ATOM 1082 O HIS A 67 -12.631 4.232 0.904 1.00 0.00 O ATOM 1083 CB HIS A 67 -13.579 1.753 -0.482 1.00 0.00 C ATOM 1084 CG HIS A 67 -14.873 2.209 -1.112 1.00 0.00 C ATOM 1085 ND1 HIS A 67 -15.269 3.535 -1.134 1.00 0.00 N ATOM 1086 CD2 HIS A 67 -15.854 1.503 -1.743 1.00 0.00 C ATOM 1087 CE1 HIS A 67 -16.439 3.612 -1.752 1.00 0.00 C ATOM 1088 NE2 HIS A 67 -16.800 2.351 -2.128 1.00 0.00 N ATOM 0 H HIS A 67 -10.956 2.097 0.607 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.363 2.684 -1.939 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.384 0.723 -0.782 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.695 1.753 0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.860 0.435 -1.903 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -17.007 4.514 -1.927 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -17.656 2.101 -2.623 1.00 0.00 H new ATOM 1096 N VAL A 68 -12.358 4.998 -1.206 1.00 0.00 N ATOM 1097 CA VAL A 68 -12.431 6.399 -0.826 1.00 0.00 C ATOM 1098 C VAL A 68 -13.268 7.160 -1.855 1.00 0.00 C ATOM 1099 O VAL A 68 -12.852 7.322 -3.002 1.00 0.00 O ATOM 1100 CB VAL A 68 -11.021 6.971 -0.662 1.00 0.00 C ATOM 1101 CG1 VAL A 68 -10.030 6.261 -1.587 1.00 0.00 C ATOM 1102 CG2 VAL A 68 -11.011 8.481 -0.902 1.00 0.00 C ATOM 0 H VAL A 68 -12.221 4.833 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.926 6.507 0.139 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.705 6.794 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.036 6.687 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.006 5.198 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.342 6.392 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.997 8.862 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.358 8.691 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.671 8.968 -0.184 1.00 0.00 H new ATOM 1112 N PRO A 69 -14.464 7.618 -1.398 1.00 0.00 N ATOM 1113 CA PRO A 69 -15.364 8.358 -2.267 1.00 0.00 C ATOM 1114 C PRO A 69 -14.862 9.786 -2.487 1.00 0.00 C ATOM 1115 O PRO A 69 -14.496 10.154 -3.602 1.00 0.00 O ATOM 1116 CB PRO A 69 -16.715 8.304 -1.572 1.00 0.00 C ATOM 1117 CG PRO A 69 -16.425 7.940 -0.125 1.00 0.00 C ATOM 1118 CD PRO A 69 -14.990 7.444 -0.047 1.00 0.00 C ATOM 0 HA PRO A 69 -15.428 7.931 -3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.227 9.264 -1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.365 7.563 -2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -16.565 8.806 0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -17.114 7.170 0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.412 8.015 0.680 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -14.948 6.400 0.263 1.00 0.00 H new ATOM 1126 N ASP A 70 -14.861 10.552 -1.406 1.00 0.00 N ATOM 1127 CA ASP A 70 -14.410 11.932 -1.467 1.00 0.00 C ATOM 1128 C ASP A 70 -13.222 12.034 -2.426 1.00 0.00 C ATOM 1129 O ASP A 70 -13.031 13.060 -3.077 1.00 0.00 O ATOM 1130 CB ASP A 70 -13.952 12.424 -0.093 1.00 0.00 C ATOM 1131 CG ASP A 70 -13.645 13.920 -0.010 1.00 0.00 C ATOM 1132 OD1 ASP A 70 -14.601 14.706 -0.185 1.00 0.00 O ATOM 1133 OD2 ASP A 70 -12.461 14.244 0.225 1.00 0.00 O ATOM 0 H ASP A 70 -15.165 10.243 -0.483 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.245 12.544 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.725 12.186 0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.059 11.869 0.196 1.00 0.00 H new ATOM 1138 N GLU A 71 -12.454 10.956 -2.482 1.00 0.00 N ATOM 1139 CA GLU A 71 -11.289 10.911 -3.350 1.00 0.00 C ATOM 1140 C GLU A 71 -10.200 11.848 -2.826 1.00 0.00 C ATOM 1141 O GLU A 71 -9.423 12.399 -3.604 1.00 0.00 O ATOM 1142 CB GLU A 71 -11.666 11.259 -4.791 1.00 0.00 C ATOM 1143 CG GLU A 71 -11.718 10.003 -5.663 1.00 0.00 C ATOM 1144 CD GLU A 71 -11.453 10.343 -7.131 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -10.265 10.557 -7.458 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -12.443 10.381 -7.893 1.00 0.00 O ATOM 0 H GLU A 71 -12.615 10.107 -1.940 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.897 9.894 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.635 11.757 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.940 11.961 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.978 9.283 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.695 9.529 -5.566 1.00 0.00 H new ATOM 1153 N ALA A 72 -10.178 12.002 -1.510 1.00 0.00 N ATOM 1154 CA ALA A 72 -9.197 12.863 -0.873 1.00 0.00 C ATOM 1155 C ALA A 72 -7.796 12.472 -1.348 1.00 0.00 C ATOM 1156 O ALA A 72 -7.392 11.318 -1.218 1.00 0.00 O ATOM 1157 CB ALA A 72 -9.345 12.769 0.647 1.00 0.00 C ATOM 0 H ALA A 72 -10.825 11.544 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.361 13.904 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.609 13.415 1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.347 13.086 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.185 11.739 0.965 1.00 0.00 H new ATOM 1163 N PRO A 73 -7.075 13.483 -1.903 1.00 0.00 N ATOM 1164 CA PRO A 73 -5.728 13.256 -2.399 1.00 0.00 C ATOM 1165 C PRO A 73 -4.732 13.134 -1.243 1.00 0.00 C ATOM 1166 O PRO A 73 -3.570 12.792 -1.454 1.00 0.00 O ATOM 1167 CB PRO A 73 -5.439 14.439 -3.309 1.00 0.00 C ATOM 1168 CG PRO A 73 -6.445 15.513 -2.928 1.00 0.00 C ATOM 1169 CD PRO A 73 -7.521 14.862 -2.074 1.00 0.00 C ATOM 0 HA PRO A 73 -5.633 12.318 -2.946 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.418 14.795 -3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.544 14.160 -4.357 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.955 16.317 -2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.884 15.959 -3.821 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.623 15.367 -1.113 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.494 14.906 -2.562 1.00 0.00 H new ATOM 1177 N THR A 74 -5.225 13.421 -0.047 1.00 0.00 N ATOM 1178 CA THR A 74 -4.393 13.348 1.142 1.00 0.00 C ATOM 1179 C THR A 74 -4.583 12.002 1.844 1.00 0.00 C ATOM 1180 O THR A 74 -3.696 11.539 2.559 1.00 0.00 O ATOM 1181 CB THR A 74 -4.729 14.548 2.029 1.00 0.00 C ATOM 1182 OG1 THR A 74 -6.136 14.712 1.874 1.00 0.00 O ATOM 1183 CG2 THR A 74 -4.141 15.855 1.492 1.00 0.00 C ATOM 0 H THR A 74 -6.190 13.704 0.124 1.00 0.00 H new ATOM 0 HA THR A 74 -3.334 13.400 0.887 1.00 0.00 H new ATOM 0 HB THR A 74 -4.357 14.369 3.038 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.439 15.469 2.417 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.409 16.675 2.158 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.056 15.771 1.438 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.539 16.051 0.497 1.00 0.00 H new ATOM 1191 N VAL A 75 -5.747 11.411 1.615 1.00 0.00 N ATOM 1192 CA VAL A 75 -6.065 10.127 2.217 1.00 0.00 C ATOM 1193 C VAL A 75 -5.701 9.007 1.240 1.00 0.00 C ATOM 1194 O VAL A 75 -5.211 7.956 1.650 1.00 0.00 O ATOM 1195 CB VAL A 75 -7.535 10.097 2.639 1.00 0.00 C ATOM 1196 CG1 VAL A 75 -8.003 8.663 2.895 1.00 0.00 C ATOM 1197 CG2 VAL A 75 -7.771 10.978 3.867 1.00 0.00 C ATOM 0 H VAL A 75 -6.481 11.797 1.021 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.477 9.973 3.122 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.127 10.501 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.051 8.670 3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.889 8.075 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.402 8.221 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.824 10.939 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.162 10.617 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.495 12.007 3.635 1.00 0.00 H new ATOM 1207 N LYS A 76 -5.955 9.269 -0.033 1.00 0.00 N ATOM 1208 CA LYS A 76 -5.660 8.296 -1.072 1.00 0.00 C ATOM 1209 C LYS A 76 -4.145 8.209 -1.267 1.00 0.00 C ATOM 1210 O LYS A 76 -3.599 7.120 -1.440 1.00 0.00 O ATOM 1211 CB LYS A 76 -6.427 8.630 -2.352 1.00 0.00 C ATOM 1212 CG LYS A 76 -7.024 7.368 -2.979 1.00 0.00 C ATOM 1213 CD LYS A 76 -8.203 7.713 -3.891 1.00 0.00 C ATOM 1214 CE LYS A 76 -8.462 6.593 -4.899 1.00 0.00 C ATOM 1215 NZ LYS A 76 -9.906 6.501 -5.213 1.00 0.00 N ATOM 0 H LYS A 76 -6.362 10.142 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.001 7.305 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.223 9.341 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.759 9.113 -3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.258 6.845 -3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.354 6.689 -2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.096 7.879 -3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.998 8.643 -4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.897 6.780 -5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.111 5.644 -4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.273 5.582 -4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.416 7.266 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.044 6.590 -6.240 1.00 0.00 H new ATOM 1229 N ALA A 77 -3.508 9.371 -1.234 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.067 9.440 -1.406 1.00 0.00 C ATOM 1231 C ALA A 77 -1.415 8.262 -0.679 1.00 0.00 C ATOM 1232 O ALA A 77 -0.609 7.538 -1.261 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.557 10.791 -0.903 1.00 0.00 C ATOM 0 H ALA A 77 -3.964 10.272 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.802 9.364 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.476 10.843 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.029 11.593 -1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.802 10.902 0.153 1.00 0.00 H new ATOM 1239 N PHE A 78 -1.787 8.108 0.584 1.00 0.00 N ATOM 1240 CA PHE A 78 -1.248 7.031 1.397 1.00 0.00 C ATOM 1241 C PHE A 78 -1.661 5.666 0.843 1.00 0.00 C ATOM 1242 O PHE A 78 -0.814 4.811 0.594 1.00 0.00 O ATOM 1243 CB PHE A 78 -1.831 7.197 2.801 1.00 0.00 C ATOM 1244 CG PHE A 78 -0.883 6.768 3.923 1.00 0.00 C ATOM 1245 CD1 PHE A 78 0.385 7.258 3.966 1.00 0.00 C ATOM 1246 CD2 PHE A 78 -1.308 5.896 4.877 1.00 0.00 C ATOM 1247 CE1 PHE A 78 1.265 6.859 5.007 1.00 0.00 C ATOM 1248 CE2 PHE A 78 -0.428 5.498 5.918 1.00 0.00 C ATOM 1249 CZ PHE A 78 0.840 5.988 5.961 1.00 0.00 C ATOM 0 H PHE A 78 -2.455 8.711 1.064 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.159 7.076 1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.103 8.242 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.750 6.615 2.873 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.723 7.950 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.315 5.506 4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.272 7.247 5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.766 4.806 6.676 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.509 5.685 6.753 1.00 0.00 H new ATOM 1259 N ALA A 79 -2.965 5.506 0.666 1.00 0.00 N ATOM 1260 CA ALA A 79 -3.501 4.259 0.146 1.00 0.00 C ATOM 1261 C ALA A 79 -2.588 3.741 -0.967 1.00 0.00 C ATOM 1262 O ALA A 79 -2.200 2.573 -0.963 1.00 0.00 O ATOM 1263 CB ALA A 79 -4.936 4.482 -0.334 1.00 0.00 C ATOM 0 H ALA A 79 -3.665 6.218 0.873 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.532 3.499 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.339 3.547 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.550 4.821 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.943 5.237 -1.121 1.00 0.00 H new ATOM 1269 N GLY A 80 -2.271 4.634 -1.893 1.00 0.00 N ATOM 1270 CA GLY A 80 -1.411 4.281 -3.009 1.00 0.00 C ATOM 1271 C GLY A 80 -0.013 3.892 -2.523 1.00 0.00 C ATOM 1272 O GLY A 80 0.628 3.017 -3.102 1.00 0.00 O ATOM 0 H GLY A 80 -2.594 5.601 -1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.851 3.452 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.339 5.123 -3.698 1.00 0.00 H new ATOM 1276 N LEU A 81 0.418 4.563 -1.465 1.00 0.00 N ATOM 1277 CA LEU A 81 1.728 4.299 -0.894 1.00 0.00 C ATOM 1278 C LEU A 81 1.768 2.865 -0.363 1.00 0.00 C ATOM 1279 O LEU A 81 2.790 2.188 -0.467 1.00 0.00 O ATOM 1280 CB LEU A 81 2.077 5.354 0.157 1.00 0.00 C ATOM 1281 CG LEU A 81 3.010 4.899 1.281 1.00 0.00 C ATOM 1282 CD1 LEU A 81 4.308 4.320 0.715 1.00 0.00 C ATOM 1283 CD2 LEU A 81 3.272 6.036 2.270 1.00 0.00 C ATOM 0 H LEU A 81 -0.117 5.289 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 81 2.500 4.378 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.537 6.203 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.150 5.713 0.604 1.00 0.00 H new ATOM 0 HG LEU A 81 2.515 4.100 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.953 4.004 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.079 3.462 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.818 5.080 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.938 5.686 3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.736 6.873 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.329 6.361 2.709 1.00 0.00 H new ATOM 1295 N LEU A 82 0.643 2.443 0.196 1.00 0.00 N ATOM 1296 CA LEU A 82 0.537 1.101 0.744 1.00 0.00 C ATOM 1297 C LEU A 82 0.562 0.084 -0.398 1.00 0.00 C ATOM 1298 O LEU A 82 1.410 -0.806 -0.423 1.00 0.00 O ATOM 1299 CB LEU A 82 -0.696 0.986 1.643 1.00 0.00 C ATOM 1300 CG LEU A 82 -0.647 1.774 2.954 1.00 0.00 C ATOM 1301 CD1 LEU A 82 0.569 1.371 3.790 1.00 0.00 C ATOM 1302 CD2 LEU A 82 -0.687 3.280 2.690 1.00 0.00 C ATOM 0 H LEU A 82 -0.203 3.007 0.281 1.00 0.00 H new ATOM 0 HA LEU A 82 1.392 0.882 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.566 1.316 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.851 -0.066 1.880 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.535 1.525 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.580 1.946 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.514 0.308 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.480 1.572 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.651 3.817 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.169 3.565 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.608 3.533 2.165 1.00 0.00 H new ATOM 1314 N ARG A 83 -0.377 0.251 -1.317 1.00 0.00 N ATOM 1315 CA ARG A 83 -0.473 -0.641 -2.460 1.00 0.00 C ATOM 1316 C ARG A 83 0.779 -0.525 -3.331 1.00 0.00 C ATOM 1317 O ARG A 83 1.120 -1.454 -4.062 1.00 0.00 O ATOM 1318 CB ARG A 83 -1.707 -0.321 -3.307 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.652 -1.048 -4.652 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.791 -0.594 -5.568 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.701 -1.290 -6.871 1.00 0.00 N ATOM 1322 CZ ARG A 83 -1.806 -0.991 -7.822 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -0.918 -0.007 -7.622 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -1.798 -1.676 -8.974 1.00 0.00 N ATOM 0 H ARG A 83 -1.079 0.991 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.562 -1.659 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.608 -0.613 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.770 0.754 -3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.694 -0.855 -5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.717 -2.124 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.752 -0.805 -5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.740 0.484 -5.718 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.362 -2.045 -7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.923 0.515 -6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.237 0.220 -8.346 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.473 -2.425 -9.127 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.117 -1.448 -9.698 1.00 0.00 H new ATOM 1338 N GLU A 84 1.430 0.624 -3.225 1.00 0.00 N ATOM 1339 CA GLU A 84 2.638 0.874 -3.994 1.00 0.00 C ATOM 1340 C GLU A 84 3.602 -0.307 -3.867 1.00 0.00 C ATOM 1341 O GLU A 84 4.156 -0.770 -4.862 1.00 0.00 O ATOM 1342 CB GLU A 84 3.307 2.178 -3.555 1.00 0.00 C ATOM 1343 CG GLU A 84 3.048 3.295 -4.568 1.00 0.00 C ATOM 1344 CD GLU A 84 3.820 3.049 -5.866 1.00 0.00 C ATOM 1345 OE1 GLU A 84 3.584 1.981 -6.472 1.00 0.00 O ATOM 1346 OE2 GLU A 84 4.628 3.933 -6.222 1.00 0.00 O ATOM 0 H GLU A 84 1.144 1.392 -2.618 1.00 0.00 H new ATOM 0 HA GLU A 84 2.362 0.981 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.928 2.474 -2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.380 2.022 -3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.981 3.357 -4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.343 4.253 -4.141 1.00 0.00 H new ATOM 1353 N GLY A 85 3.773 -0.760 -2.633 1.00 0.00 N ATOM 1354 CA GLY A 85 4.660 -1.878 -2.363 1.00 0.00 C ATOM 1355 C GLY A 85 4.097 -2.770 -1.255 1.00 0.00 C ATOM 1356 O GLY A 85 4.722 -2.934 -0.208 1.00 0.00 O ATOM 0 H GLY A 85 3.312 -0.373 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.799 -2.464 -3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.642 -1.505 -2.071 1.00 0.00 H new ATOM 1360 N LEU A 86 2.923 -3.323 -1.523 1.00 0.00 N ATOM 1361 CA LEU A 86 2.269 -4.194 -0.561 1.00 0.00 C ATOM 1362 C LEU A 86 1.305 -5.127 -1.298 1.00 0.00 C ATOM 1363 O LEU A 86 1.275 -6.328 -1.034 1.00 0.00 O ATOM 1364 CB LEU A 86 1.604 -3.369 0.543 1.00 0.00 C ATOM 1365 CG LEU A 86 2.523 -2.426 1.321 1.00 0.00 C ATOM 1366 CD1 LEU A 86 1.714 -1.492 2.223 1.00 0.00 C ATOM 1367 CD2 LEU A 86 3.577 -3.210 2.106 1.00 0.00 C ATOM 0 H LEU A 86 2.408 -3.185 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 86 3.002 -4.825 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.804 -2.778 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.137 -4.054 1.250 1.00 0.00 H new ATOM 0 HG LEU A 86 3.055 -1.800 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.392 -0.832 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.036 -0.895 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.137 -2.083 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.217 -2.515 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.083 -3.877 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.183 -3.797 1.416 1.00 0.00 H new ATOM 1379 N GLU A 87 0.541 -4.538 -2.206 1.00 0.00 N ATOM 1380 CA GLU A 87 -0.421 -5.302 -2.982 1.00 0.00 C ATOM 1381 C GLU A 87 0.287 -6.411 -3.763 1.00 0.00 C ATOM 1382 O GLU A 87 1.221 -6.144 -4.518 1.00 0.00 O ATOM 1383 CB GLU A 87 -1.214 -4.390 -3.921 1.00 0.00 C ATOM 1384 CG GLU A 87 -2.057 -5.211 -4.900 1.00 0.00 C ATOM 1385 CD GLU A 87 -1.411 -5.244 -6.286 1.00 0.00 C ATOM 1386 OE1 GLU A 87 -0.289 -5.789 -6.377 1.00 0.00 O ATOM 1387 OE2 GLU A 87 -2.053 -4.724 -7.224 1.00 0.00 O ATOM 0 H GLU A 87 0.568 -3.541 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.128 -5.765 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.862 -3.736 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.529 -3.748 -4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.171 -6.228 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.057 -4.784 -4.971 1.00 0.00 H new ATOM 1394 N GLY A 88 -0.185 -7.631 -3.555 1.00 0.00 N ATOM 1395 CA GLY A 88 0.391 -8.782 -4.230 1.00 0.00 C ATOM 1396 C GLY A 88 1.495 -9.418 -3.383 1.00 0.00 C ATOM 1397 O GLY A 88 1.823 -10.590 -3.563 1.00 0.00 O ATOM 0 H GLY A 88 -0.960 -7.848 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.388 -9.518 -4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.798 -8.477 -5.194 1.00 0.00 H new ATOM 1401 N GLU A 89 2.037 -8.618 -2.477 1.00 0.00 N ATOM 1402 CA GLU A 89 3.097 -9.089 -1.601 1.00 0.00 C ATOM 1403 C GLU A 89 2.538 -10.076 -0.575 1.00 0.00 C ATOM 1404 O GLU A 89 1.326 -10.269 -0.489 1.00 0.00 O ATOM 1405 CB GLU A 89 3.798 -7.917 -0.910 1.00 0.00 C ATOM 1406 CG GLU A 89 4.400 -6.956 -1.937 1.00 0.00 C ATOM 1407 CD GLU A 89 5.529 -7.629 -2.721 1.00 0.00 C ATOM 1408 OE1 GLU A 89 6.658 -7.648 -2.186 1.00 0.00 O ATOM 1409 OE2 GLU A 89 5.236 -8.108 -3.838 1.00 0.00 O ATOM 0 H GLU A 89 1.762 -7.647 -2.330 1.00 0.00 H new ATOM 0 HA GLU A 89 3.840 -9.608 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.086 -7.383 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.583 -8.294 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.624 -6.621 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.782 -6.069 -1.431 1.00 0.00 H new ATOM 1416 N SER A 90 3.449 -10.675 0.179 1.00 0.00 N ATOM 1417 CA SER A 90 3.062 -11.638 1.196 1.00 0.00 C ATOM 1418 C SER A 90 2.603 -10.908 2.460 1.00 0.00 C ATOM 1419 O SER A 90 2.947 -9.746 2.669 1.00 0.00 O ATOM 1420 CB SER A 90 4.216 -12.589 1.521 1.00 0.00 C ATOM 1421 OG SER A 90 4.947 -12.959 0.356 1.00 0.00 O ATOM 0 H SER A 90 4.453 -10.512 0.106 1.00 0.00 H new ATOM 0 HA SER A 90 2.235 -12.233 0.808 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.888 -12.113 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.823 -13.485 2.002 1.00 0.00 H new ATOM 0 HG SER A 90 5.676 -13.565 0.606 1.00 0.00 H new ATOM 1427 N PRO A 91 1.814 -11.639 3.292 1.00 0.00 N ATOM 1428 CA PRO A 91 1.305 -11.074 4.529 1.00 0.00 C ATOM 1429 C PRO A 91 2.406 -10.993 5.589 1.00 0.00 C ATOM 1430 O PRO A 91 2.217 -10.383 6.640 1.00 0.00 O ATOM 1431 CB PRO A 91 0.156 -11.983 4.934 1.00 0.00 C ATOM 1432 CG PRO A 91 0.361 -13.280 4.167 1.00 0.00 C ATOM 1433 CD PRO A 91 1.387 -13.019 3.076 1.00 0.00 C ATOM 0 HA PRO A 91 0.960 -10.047 4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.159 -12.161 6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -0.805 -11.531 4.688 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.707 -14.068 4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.579 -13.620 3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.227 -13.710 3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.953 -13.149 2.085 1.00 0.00 H new ATOM 1441 N GLU A 92 3.531 -11.618 5.276 1.00 0.00 N ATOM 1442 CA GLU A 92 4.662 -11.624 6.188 1.00 0.00 C ATOM 1443 C GLU A 92 5.543 -10.396 5.949 1.00 0.00 C ATOM 1444 O GLU A 92 6.106 -9.839 6.891 1.00 0.00 O ATOM 1445 CB GLU A 92 5.472 -12.915 6.048 1.00 0.00 C ATOM 1446 CG GLU A 92 4.557 -14.141 6.071 1.00 0.00 C ATOM 1447 CD GLU A 92 4.881 -15.045 7.263 1.00 0.00 C ATOM 1448 OE1 GLU A 92 6.057 -15.457 7.359 1.00 0.00 O ATOM 1449 OE2 GLU A 92 3.946 -15.302 8.051 1.00 0.00 O ATOM 0 H GLU A 92 3.684 -12.124 4.404 1.00 0.00 H new ATOM 0 HA GLU A 92 4.281 -11.581 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.036 -12.895 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.198 -12.983 6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.516 -13.822 6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.671 -14.702 5.143 1.00 0.00 H new ATOM 1456 N ALA A 93 5.636 -10.010 4.685 1.00 0.00 N ATOM 1457 CA ALA A 93 6.439 -8.858 4.311 1.00 0.00 C ATOM 1458 C ALA A 93 5.651 -7.578 4.596 1.00 0.00 C ATOM 1459 O ALA A 93 6.233 -6.548 4.930 1.00 0.00 O ATOM 1460 CB ALA A 93 6.848 -8.976 2.842 1.00 0.00 C ATOM 0 H ALA A 93 5.168 -10.475 3.907 1.00 0.00 H new ATOM 0 HA ALA A 93 7.354 -8.820 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.450 -8.112 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.430 -9.886 2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.955 -9.014 2.218 1.00 0.00 H new ATOM 1466 N VAL A 94 4.338 -7.686 4.453 1.00 0.00 N ATOM 1467 CA VAL A 94 3.464 -6.550 4.691 1.00 0.00 C ATOM 1468 C VAL A 94 3.477 -6.204 6.181 1.00 0.00 C ATOM 1469 O VAL A 94 3.633 -5.042 6.551 1.00 0.00 O ATOM 1470 CB VAL A 94 2.060 -6.849 4.159 1.00 0.00 C ATOM 1471 CG1 VAL A 94 2.112 -7.294 2.696 1.00 0.00 C ATOM 1472 CG2 VAL A 94 1.358 -7.896 5.026 1.00 0.00 C ATOM 0 H VAL A 94 3.859 -8.542 4.175 1.00 0.00 H new ATOM 0 HA VAL A 94 3.822 -5.674 4.151 1.00 0.00 H new ATOM 0 HB VAL A 94 1.479 -5.928 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.102 -7.500 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.554 -6.503 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.717 -8.197 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.363 -8.091 4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.937 -8.819 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.273 -7.525 6.047 1.00 0.00 H new ATOM 1482 N LEU A 95 3.312 -7.236 6.996 1.00 0.00 N ATOM 1483 CA LEU A 95 3.303 -7.055 8.438 1.00 0.00 C ATOM 1484 C LEU A 95 4.633 -6.439 8.879 1.00 0.00 C ATOM 1485 O LEU A 95 4.673 -5.651 9.822 1.00 0.00 O ATOM 1486 CB LEU A 95 2.974 -8.374 9.141 1.00 0.00 C ATOM 1487 CG LEU A 95 1.502 -8.594 9.498 1.00 0.00 C ATOM 1488 CD1 LEU A 95 1.171 -10.086 9.565 1.00 0.00 C ATOM 1489 CD2 LEU A 95 1.139 -7.868 10.795 1.00 0.00 C ATOM 0 H LEU A 95 3.184 -8.199 6.686 1.00 0.00 H new ATOM 0 HA LEU A 95 2.516 -6.359 8.730 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.299 -9.195 8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.562 -8.431 10.057 1.00 0.00 H new ATOM 0 HG LEU A 95 0.890 -8.164 8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.119 -10.214 9.820 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.368 -10.546 8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.790 -10.562 10.326 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.088 -8.040 11.026 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.757 -8.247 11.609 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.314 -6.799 10.675 1.00 0.00 H new ATOM 1501 N GLU A 96 5.688 -6.822 8.175 1.00 0.00 N ATOM 1502 CA GLU A 96 7.015 -6.317 8.482 1.00 0.00 C ATOM 1503 C GLU A 96 7.036 -4.790 8.391 1.00 0.00 C ATOM 1504 O GLU A 96 7.884 -4.140 9.001 1.00 0.00 O ATOM 1505 CB GLU A 96 8.065 -6.936 7.556 1.00 0.00 C ATOM 1506 CG GLU A 96 8.549 -8.282 8.099 1.00 0.00 C ATOM 1507 CD GLU A 96 9.354 -8.097 9.386 1.00 0.00 C ATOM 1508 OE1 GLU A 96 9.574 -6.923 9.755 1.00 0.00 O ATOM 1509 OE2 GLU A 96 9.732 -9.134 9.973 1.00 0.00 O ATOM 0 H GLU A 96 5.651 -7.476 7.393 1.00 0.00 H new ATOM 0 HA GLU A 96 7.264 -6.604 9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.642 -7.072 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.911 -6.256 7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.693 -8.929 8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.164 -8.780 7.350 1.00 0.00 H new ATOM 1516 N VAL A 97 6.093 -4.261 7.626 1.00 0.00 N ATOM 1517 CA VAL A 97 5.993 -2.823 7.447 1.00 0.00 C ATOM 1518 C VAL A 97 5.527 -2.182 8.757 1.00 0.00 C ATOM 1519 O VAL A 97 4.397 -2.400 9.191 1.00 0.00 O ATOM 1520 CB VAL A 97 5.074 -2.505 6.266 1.00 0.00 C ATOM 1521 CG1 VAL A 97 4.999 -0.997 6.021 1.00 0.00 C ATOM 1522 CG2 VAL A 97 5.526 -3.244 5.005 1.00 0.00 C ATOM 0 H VAL A 97 5.391 -4.803 7.123 1.00 0.00 H new ATOM 0 HA VAL A 97 6.968 -2.399 7.206 1.00 0.00 H new ATOM 0 HB VAL A 97 4.072 -2.854 6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.339 -0.798 5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.609 -0.503 6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.996 -0.614 5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.856 -3.000 4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.541 -2.940 4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.504 -4.319 5.185 1.00 0.00 H new ATOM 1532 N PRO A 98 6.445 -1.384 9.364 1.00 0.00 N ATOM 1533 CA PRO A 98 6.140 -0.711 10.615 1.00 0.00 C ATOM 1534 C PRO A 98 5.208 0.480 10.383 1.00 0.00 C ATOM 1535 O PRO A 98 5.004 0.901 9.246 1.00 0.00 O ATOM 1536 CB PRO A 98 7.491 -0.306 11.183 1.00 0.00 C ATOM 1537 CG PRO A 98 8.465 -0.352 10.017 1.00 0.00 C ATOM 1538 CD PRO A 98 7.793 -1.103 8.879 1.00 0.00 C ATOM 0 HA PRO A 98 5.603 -1.349 11.317 1.00 0.00 H new ATOM 0 HB2 PRO A 98 7.448 0.693 11.617 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.800 -0.986 11.977 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.733 0.657 9.703 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.389 -0.850 10.311 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.769 -0.504 7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.328 -2.023 8.641 1.00 0.00 H new ATOM 1546 N PRO A 99 4.652 1.002 11.509 1.00 0.00 N ATOM 1547 CA PRO A 99 3.746 2.136 11.440 1.00 0.00 C ATOM 1548 C PRO A 99 4.511 3.434 11.174 1.00 0.00 C ATOM 1549 O PRO A 99 3.909 4.498 11.042 1.00 0.00 O ATOM 1550 CB PRO A 99 3.017 2.139 12.774 1.00 0.00 C ATOM 1551 CG PRO A 99 3.865 1.298 13.714 1.00 0.00 C ATOM 1552 CD PRO A 99 4.871 0.529 12.873 1.00 0.00 C ATOM 0 HA PRO A 99 3.038 2.059 10.615 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.902 3.154 13.154 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.015 1.722 12.673 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.378 1.933 14.437 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.238 0.611 14.282 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.892 0.724 13.201 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.711 -0.547 12.950 1.00 0.00 H new ATOM 1560 N GLY A 100 5.828 3.303 11.104 1.00 0.00 N ATOM 1561 CA GLY A 100 6.682 4.453 10.856 1.00 0.00 C ATOM 1562 C GLY A 100 7.581 4.215 9.641 1.00 0.00 C ATOM 1563 O GLY A 100 8.649 4.816 9.528 1.00 0.00 O ATOM 0 H GLY A 100 6.324 2.419 11.215 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.068 5.338 10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.296 4.651 11.734 1.00 0.00 H new ATOM 1567 N PHE A 101 7.117 3.338 8.763 1.00 0.00 N ATOM 1568 CA PHE A 101 7.867 3.014 7.561 1.00 0.00 C ATOM 1569 C PHE A 101 8.009 4.240 6.657 1.00 0.00 C ATOM 1570 O PHE A 101 8.983 4.358 5.915 1.00 0.00 O ATOM 1571 CB PHE A 101 7.076 1.936 6.818 1.00 0.00 C ATOM 1572 CG PHE A 101 5.848 2.466 6.074 1.00 0.00 C ATOM 1573 CD1 PHE A 101 4.693 2.705 6.752 1.00 0.00 C ATOM 1574 CD2 PHE A 101 5.912 2.697 4.736 1.00 0.00 C ATOM 1575 CE1 PHE A 101 3.554 3.197 6.061 1.00 0.00 C ATOM 1576 CE2 PHE A 101 4.773 3.189 4.045 1.00 0.00 C ATOM 1577 CZ PHE A 101 3.618 3.428 4.723 1.00 0.00 C ATOM 0 H PHE A 101 6.231 2.842 8.860 1.00 0.00 H new ATOM 0 HA PHE A 101 8.868 2.674 7.827 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.736 1.443 6.104 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.756 1.178 7.532 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.642 2.521 7.815 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.829 2.506 4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.637 3.388 6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.824 3.373 2.982 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.751 3.802 4.198 1.00 0.00 H new ATOM 1587 N TYR A 102 7.024 5.121 6.748 1.00 0.00 N ATOM 1588 CA TYR A 102 7.027 6.333 5.948 1.00 0.00 C ATOM 1589 C TYR A 102 7.961 7.385 6.549 1.00 0.00 C ATOM 1590 O TYR A 102 8.684 8.066 5.823 1.00 0.00 O ATOM 1591 CB TYR A 102 5.592 6.864 5.981 1.00 0.00 C ATOM 1592 CG TYR A 102 5.181 7.461 7.328 1.00 0.00 C ATOM 1593 CD1 TYR A 102 4.620 6.654 8.297 1.00 0.00 C ATOM 1594 CD2 TYR A 102 5.370 8.806 7.574 1.00 0.00 C ATOM 1595 CE1 TYR A 102 4.233 7.216 9.566 1.00 0.00 C ATOM 1596 CE2 TYR A 102 4.982 9.367 8.842 1.00 0.00 C ATOM 1597 CZ TYR A 102 4.433 8.545 9.775 1.00 0.00 C ATOM 1598 OH TYR A 102 4.067 9.075 10.973 1.00 0.00 O ATOM 0 H TYR A 102 6.218 5.019 7.364 1.00 0.00 H new ATOM 0 HA TYR A 102 7.372 6.123 4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.479 7.624 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 102 4.909 6.052 5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 102 4.471 5.602 8.104 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.809 9.437 6.816 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.794 6.596 10.334 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.124 10.418 9.047 1.00 0.00 H new ATOM 0 HH TYR A 102 4.477 9.959 11.079 1.00 0.00 H new ATOM 1608 N ARG A 103 7.917 7.485 7.869 1.00 0.00 N ATOM 1609 CA ARG A 103 8.750 8.442 8.576 1.00 0.00 C ATOM 1610 C ARG A 103 10.200 8.340 8.096 1.00 0.00 C ATOM 1611 O ARG A 103 10.778 7.254 8.085 1.00 0.00 O ATOM 1612 CB ARG A 103 8.703 8.204 10.087 1.00 0.00 C ATOM 1613 CG ARG A 103 7.409 8.758 10.688 1.00 0.00 C ATOM 1614 CD ARG A 103 7.605 9.132 12.159 1.00 0.00 C ATOM 1615 NE ARG A 103 7.265 10.557 12.368 1.00 0.00 N ATOM 1616 CZ ARG A 103 8.114 11.571 12.156 1.00 0.00 C ATOM 1617 NH1 ARG A 103 9.359 11.324 11.726 1.00 0.00 N ATOM 1618 NH2 ARG A 103 7.719 12.833 12.372 1.00 0.00 N ATOM 0 H ARG A 103 7.317 6.918 8.468 1.00 0.00 H new ATOM 0 HA ARG A 103 8.362 9.438 8.364 1.00 0.00 H new ATOM 0 HB2 ARG A 103 8.776 7.136 10.293 1.00 0.00 H new ATOM 0 HB3 ARG A 103 9.562 8.680 10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.089 9.635 10.125 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.616 8.016 10.600 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.976 8.503 12.790 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.638 8.949 12.455 1.00 0.00 H new ATOM 0 HE ARG A 103 6.325 10.781 12.694 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.660 10.364 11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.005 12.096 11.565 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.771 13.022 12.698 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.366 13.605 12.210 1.00 0.00 H new ATOM 1632 N GLY A 104 10.744 9.485 7.711 1.00 0.00 N ATOM 1633 CA GLY A 104 12.115 9.538 7.232 1.00 0.00 C ATOM 1634 C GLY A 104 12.164 9.933 5.754 1.00 0.00 C ATOM 1635 O GLY A 104 12.956 10.788 5.363 1.00 0.00 O ATOM 0 H GLY A 104 10.260 10.383 7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.683 10.256 7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.590 8.566 7.369 1.00 0.00 H new ATOM 1639 N TYR A 105 11.306 9.292 4.974 1.00 0.00 N ATOM 1640 CA TYR A 105 11.241 9.566 3.549 1.00 0.00 C ATOM 1641 C TYR A 105 10.474 10.862 3.274 1.00 0.00 C ATOM 1642 O TYR A 105 9.557 10.882 2.455 1.00 0.00 O ATOM 1643 CB TYR A 105 10.478 8.394 2.928 1.00 0.00 C ATOM 1644 CG TYR A 105 11.213 7.056 3.019 1.00 0.00 C ATOM 1645 CD1 TYR A 105 12.298 6.807 2.202 1.00 0.00 C ATOM 1646 CD2 TYR A 105 10.792 6.097 3.917 1.00 0.00 C ATOM 1647 CE1 TYR A 105 12.989 5.547 2.288 1.00 0.00 C ATOM 1648 CE2 TYR A 105 11.483 4.836 4.003 1.00 0.00 C ATOM 1649 CZ TYR A 105 12.548 4.624 3.184 1.00 0.00 C ATOM 1650 OH TYR A 105 13.201 3.434 3.264 1.00 0.00 O ATOM 0 H TYR A 105 10.650 8.583 5.302 1.00 0.00 H new ATOM 0 HA TYR A 105 12.243 9.679 3.134 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.511 8.300 3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.280 8.617 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 105 12.628 7.557 1.499 1.00 0.00 H new ATOM 0 HD2 TYR A 105 9.944 6.292 4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 105 13.839 5.339 1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 105 11.163 4.077 4.701 1.00 0.00 H new ATOM 0 HH TYR A 105 12.777 2.873 3.947 1.00 0.00 H new ATOM 1660 N GLY A 106 10.879 11.911 3.974 1.00 0.00 N ATOM 1661 CA GLY A 106 10.241 13.207 3.816 1.00 0.00 C ATOM 1662 C GLY A 106 8.763 13.050 3.453 1.00 0.00 C ATOM 1663 O GLY A 106 8.304 13.601 2.453 1.00 0.00 O ATOM 0 H GLY A 106 11.641 11.890 4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.334 13.777 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.752 13.775 3.039 1.00 0.00 H new ATOM 1667 N LEU A 107 8.059 12.297 4.285 1.00 0.00 N ATOM 1668 CA LEU A 107 6.643 12.061 4.064 1.00 0.00 C ATOM 1669 C LEU A 107 5.829 12.967 4.990 1.00 0.00 C ATOM 1670 O LEU A 107 4.811 13.524 4.581 1.00 0.00 O ATOM 1671 CB LEU A 107 6.317 10.574 4.217 1.00 0.00 C ATOM 1672 CG LEU A 107 6.348 9.745 2.932 1.00 0.00 C ATOM 1673 CD1 LEU A 107 6.654 8.276 3.234 1.00 0.00 C ATOM 1674 CD2 LEU A 107 5.049 9.909 2.141 1.00 0.00 C ATOM 0 H LEU A 107 8.443 11.842 5.113 1.00 0.00 H new ATOM 0 HA LEU A 107 6.369 12.320 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.023 10.138 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.325 10.484 4.660 1.00 0.00 H new ATOM 0 HG LEU A 107 7.156 10.120 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.670 7.709 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.625 8.200 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.885 7.872 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.098 9.309 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.208 9.577 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.914 10.958 1.876 1.00 0.00 H new ATOM 1686 N GLU A 108 6.308 13.087 6.219 1.00 0.00 N ATOM 1687 CA GLU A 108 5.637 13.916 7.206 1.00 0.00 C ATOM 1688 C GLU A 108 5.643 15.380 6.762 1.00 0.00 C ATOM 1689 O GLU A 108 4.704 16.122 7.046 1.00 0.00 O ATOM 1690 CB GLU A 108 6.283 13.758 8.584 1.00 0.00 C ATOM 1691 CG GLU A 108 5.347 14.255 9.688 1.00 0.00 C ATOM 1692 CD GLU A 108 6.074 15.214 10.633 1.00 0.00 C ATOM 1693 OE1 GLU A 108 6.430 16.315 10.161 1.00 0.00 O ATOM 1694 OE2 GLU A 108 6.257 14.824 11.807 1.00 0.00 O ATOM 0 H GLU A 108 7.153 12.624 6.554 1.00 0.00 H new ATOM 0 HA GLU A 108 4.601 13.586 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.530 12.710 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.219 14.316 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.489 14.758 9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.961 13.406 10.252 1.00 0.00 H new ATOM 1701 N GLU A 109 6.712 15.752 6.073 1.00 0.00 N ATOM 1702 CA GLU A 109 6.853 17.114 5.587 1.00 0.00 C ATOM 1703 C GLU A 109 5.590 17.543 4.837 1.00 0.00 C ATOM 1704 O GLU A 109 5.301 18.734 4.731 1.00 0.00 O ATOM 1705 CB GLU A 109 8.091 17.254 4.700 1.00 0.00 C ATOM 1706 CG GLU A 109 9.360 17.378 5.546 1.00 0.00 C ATOM 1707 CD GLU A 109 10.028 18.739 5.337 1.00 0.00 C ATOM 1708 OE1 GLU A 109 9.273 19.722 5.174 1.00 0.00 O ATOM 1709 OE2 GLU A 109 11.277 18.766 5.346 1.00 0.00 O ATOM 0 H GLU A 109 7.489 15.134 5.840 1.00 0.00 H new ATOM 0 HA GLU A 109 6.985 17.773 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 109 8.171 16.389 4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.988 18.131 4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 109 9.113 17.248 6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 109 10.057 16.583 5.282 1.00 0.00 H new ATOM 1716 N PHE A 110 4.871 16.549 4.336 1.00 0.00 N ATOM 1717 CA PHE A 110 3.646 16.808 3.599 1.00 0.00 C ATOM 1718 C PHE A 110 2.416 16.472 4.445 1.00 0.00 C ATOM 1719 O PHE A 110 1.490 17.276 4.547 1.00 0.00 O ATOM 1720 CB PHE A 110 3.665 15.902 2.367 1.00 0.00 C ATOM 1721 CG PHE A 110 4.726 16.283 1.332 1.00 0.00 C ATOM 1722 CD1 PHE A 110 4.637 17.467 0.670 1.00 0.00 C ATOM 1723 CD2 PHE A 110 5.759 15.436 1.074 1.00 0.00 C ATOM 1724 CE1 PHE A 110 5.621 17.820 -0.291 1.00 0.00 C ATOM 1725 CE2 PHE A 110 6.743 15.788 0.113 1.00 0.00 C ATOM 1726 CZ PHE A 110 6.654 16.973 -0.549 1.00 0.00 C ATOM 0 H PHE A 110 5.114 15.562 4.426 1.00 0.00 H new ATOM 0 HA PHE A 110 3.591 17.862 3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 110 3.836 14.874 2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.684 15.929 1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.817 18.140 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 110 5.830 14.496 1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.549 18.761 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 110 7.562 15.115 -0.092 1.00 0.00 H new ATOM 0 HZ PHE A 110 7.403 17.241 -1.279 1.00 0.00 H new ATOM 1736 N PHE A 111 2.446 15.284 5.030 1.00 0.00 N ATOM 1737 CA PHE A 111 1.345 14.832 5.864 1.00 0.00 C ATOM 1738 C PHE A 111 1.526 15.298 7.310 1.00 0.00 C ATOM 1739 O PHE A 111 2.556 15.034 7.927 1.00 0.00 O ATOM 1740 CB PHE A 111 1.356 13.303 5.828 1.00 0.00 C ATOM 1741 CG PHE A 111 1.153 12.712 4.432 1.00 0.00 C ATOM 1742 CD1 PHE A 111 -0.036 12.871 3.792 1.00 0.00 C ATOM 1743 CD2 PHE A 111 2.163 12.027 3.830 1.00 0.00 C ATOM 1744 CE1 PHE A 111 -0.224 12.322 2.495 1.00 0.00 C ATOM 1745 CE2 PHE A 111 1.975 11.478 2.534 1.00 0.00 C ATOM 1746 CZ PHE A 111 0.786 11.637 1.894 1.00 0.00 C ATOM 0 H PHE A 111 3.216 14.620 4.943 1.00 0.00 H new ATOM 0 HA PHE A 111 0.405 15.241 5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.306 12.947 6.227 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.573 12.929 6.487 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.838 13.415 4.270 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.108 11.901 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.168 12.448 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.777 10.934 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.643 11.219 0.908 1.00 0.00 H new ATOM 1756 N THR A 112 0.507 15.983 7.809 1.00 0.00 N ATOM 1757 CA THR A 112 0.540 16.487 9.171 1.00 0.00 C ATOM 1758 C THR A 112 0.753 15.340 10.160 1.00 0.00 C ATOM 1759 O THR A 112 0.558 14.175 9.816 1.00 0.00 O ATOM 1760 CB THR A 112 -0.752 17.270 9.417 1.00 0.00 C ATOM 1761 OG1 THR A 112 -1.756 16.496 8.765 1.00 0.00 O ATOM 1762 CG2 THR A 112 -0.775 18.609 8.678 1.00 0.00 C ATOM 0 H THR A 112 -0.346 16.201 7.294 1.00 0.00 H new ATOM 0 HA THR A 112 1.381 17.164 9.322 1.00 0.00 H new ATOM 0 HB THR A 112 -0.873 17.444 10.486 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.627 16.930 8.876 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.713 19.124 8.887 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.059 19.225 9.014 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.688 18.434 7.606 1.00 0.00 H new ATOM 1770 N PRO A 113 1.160 15.719 11.401 1.00 0.00 N ATOM 1771 CA PRO A 113 1.401 14.735 12.443 1.00 0.00 C ATOM 1772 C PRO A 113 0.084 14.194 13.002 1.00 0.00 C ATOM 1773 O PRO A 113 0.060 13.140 13.636 1.00 0.00 O ATOM 1774 CB PRO A 113 2.235 15.461 13.485 1.00 0.00 C ATOM 1775 CG PRO A 113 2.039 16.944 13.216 1.00 0.00 C ATOM 1776 CD PRO A 113 1.400 17.089 11.844 1.00 0.00 C ATOM 0 HA PRO A 113 1.927 13.854 12.075 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.913 15.201 14.493 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.286 15.185 13.405 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.404 17.390 13.982 1.00 0.00 H new ATOM 0 HG3 PRO A 113 2.994 17.467 13.249 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.471 17.656 11.898 1.00 0.00 H new ATOM 0 HD3 PRO A 113 2.058 17.619 11.155 1.00 0.00 H new ATOM 1784 N LEU A 114 -0.981 14.941 12.748 1.00 0.00 N ATOM 1785 CA LEU A 114 -2.299 14.550 13.218 1.00 0.00 C ATOM 1786 C LEU A 114 -2.909 13.547 12.237 1.00 0.00 C ATOM 1787 O LEU A 114 -3.404 12.497 12.644 1.00 0.00 O ATOM 1788 CB LEU A 114 -3.171 15.784 13.457 1.00 0.00 C ATOM 1789 CG LEU A 114 -3.579 16.046 14.909 1.00 0.00 C ATOM 1790 CD1 LEU A 114 -4.363 14.863 15.480 1.00 0.00 C ATOM 1791 CD2 LEU A 114 -2.361 16.395 15.766 1.00 0.00 C ATOM 0 H LEU A 114 -0.958 15.815 12.223 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.225 14.049 14.183 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.637 16.659 13.087 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.076 15.686 12.858 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.243 16.910 14.927 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.641 15.075 16.513 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.264 14.703 14.887 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.744 13.967 15.448 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.679 16.576 16.793 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.653 15.567 15.746 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.883 17.291 15.371 1.00 0.00 H new ATOM 1803 N ARG A 115 -2.854 13.906 10.963 1.00 0.00 N ATOM 1804 CA ARG A 115 -3.395 13.050 9.920 1.00 0.00 C ATOM 1805 C ARG A 115 -2.646 11.716 9.887 1.00 0.00 C ATOM 1806 O ARG A 115 -3.257 10.662 9.715 1.00 0.00 O ATOM 1807 CB ARG A 115 -3.290 13.720 8.549 1.00 0.00 C ATOM 1808 CG ARG A 115 -4.583 14.462 8.201 1.00 0.00 C ATOM 1809 CD ARG A 115 -4.689 14.701 6.694 1.00 0.00 C ATOM 1810 NE ARG A 115 -4.390 13.451 5.961 1.00 0.00 N ATOM 1811 CZ ARG A 115 -5.243 12.424 5.848 1.00 0.00 C ATOM 1812 NH1 ARG A 115 -6.453 12.492 6.419 1.00 0.00 N ATOM 1813 NH2 ARG A 115 -4.886 11.328 5.163 1.00 0.00 N ATOM 0 H ARG A 115 -2.443 14.778 10.629 1.00 0.00 H new ATOM 0 HA ARG A 115 -4.447 12.875 10.147 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -2.453 14.418 8.545 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -3.082 12.968 7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.442 13.884 8.542 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.612 15.416 8.727 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.691 15.049 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -3.994 15.485 6.392 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.477 13.366 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -6.725 13.326 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -7.102 11.710 6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.965 11.276 4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -5.535 10.546 5.077 1.00 0.00 H new ATOM 1827 N LEU A 116 -1.335 11.805 10.054 1.00 0.00 N ATOM 1828 CA LEU A 116 -0.497 10.618 10.045 1.00 0.00 C ATOM 1829 C LEU A 116 -1.039 9.609 11.059 1.00 0.00 C ATOM 1830 O LEU A 116 -1.212 8.434 10.739 1.00 0.00 O ATOM 1831 CB LEU A 116 0.968 10.995 10.274 1.00 0.00 C ATOM 1832 CG LEU A 116 1.717 11.547 9.059 1.00 0.00 C ATOM 1833 CD1 LEU A 116 2.924 12.382 9.492 1.00 0.00 C ATOM 1834 CD2 LEU A 116 2.112 10.422 8.101 1.00 0.00 C ATOM 0 H LEU A 116 -0.832 12.681 10.196 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.529 10.136 9.068 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.011 11.738 11.071 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.498 10.112 10.632 1.00 0.00 H new ATOM 0 HG LEU A 116 1.045 12.211 8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.439 12.762 8.610 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.587 13.218 10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.607 11.761 10.071 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.643 10.841 7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.759 9.714 8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.216 9.908 7.755 1.00 0.00 H new ATOM 1846 N ARG A 117 -1.291 10.105 12.261 1.00 0.00 N ATOM 1847 CA ARG A 117 -1.810 9.261 13.325 1.00 0.00 C ATOM 1848 C ARG A 117 -2.995 8.437 12.818 1.00 0.00 C ATOM 1849 O ARG A 117 -3.207 7.310 13.263 1.00 0.00 O ATOM 1850 CB ARG A 117 -2.256 10.099 14.525 1.00 0.00 C ATOM 1851 CG ARG A 117 -1.050 10.629 15.302 1.00 0.00 C ATOM 1852 CD ARG A 117 -1.320 10.617 16.808 1.00 0.00 C ATOM 1853 NE ARG A 117 -0.116 11.067 17.542 1.00 0.00 N ATOM 1854 CZ ARG A 117 0.317 12.335 17.569 1.00 0.00 C ATOM 1855 NH1 ARG A 117 -0.352 13.286 16.902 1.00 0.00 N ATOM 1856 NH2 ARG A 117 1.420 12.652 18.261 1.00 0.00 N ATOM 0 H ARG A 117 -1.146 11.080 12.522 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.008 8.594 13.641 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.868 10.934 14.183 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.880 9.495 15.183 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -0.174 10.019 15.081 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -0.822 11.644 14.978 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -2.162 11.269 17.040 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -1.597 9.613 17.128 1.00 0.00 H new ATOM 0 HE ARG A 117 0.417 10.368 18.060 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -1.191 13.045 16.374 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -0.022 14.251 16.923 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.930 11.928 18.767 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.749 13.617 18.281 1.00 0.00 H new ATOM 1870 N GLY A 118 -3.736 9.030 11.894 1.00 0.00 N ATOM 1871 CA GLY A 118 -4.894 8.365 11.322 1.00 0.00 C ATOM 1872 C GLY A 118 -4.490 7.480 10.140 1.00 0.00 C ATOM 1873 O GLY A 118 -5.017 6.381 9.975 1.00 0.00 O ATOM 0 H GLY A 118 -3.557 9.965 11.527 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.383 7.759 12.084 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.619 9.109 10.993 1.00 0.00 H new ATOM 1877 N LEU A 119 -3.559 7.993 9.350 1.00 0.00 N ATOM 1878 CA LEU A 119 -3.078 7.264 8.189 1.00 0.00 C ATOM 1879 C LEU A 119 -2.481 5.930 8.641 1.00 0.00 C ATOM 1880 O LEU A 119 -2.918 4.868 8.199 1.00 0.00 O ATOM 1881 CB LEU A 119 -2.111 8.127 7.376 1.00 0.00 C ATOM 1882 CG LEU A 119 -2.751 9.103 6.387 1.00 0.00 C ATOM 1883 CD1 LEU A 119 -1.684 9.865 5.600 1.00 0.00 C ATOM 1884 CD2 LEU A 119 -3.738 8.382 5.466 1.00 0.00 C ATOM 0 H LEU A 119 -3.125 8.905 9.491 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.904 7.032 7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.493 8.697 8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.443 7.466 6.823 1.00 0.00 H new ATOM 0 HG LEU A 119 -3.320 9.840 6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -2.166 10.552 4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.056 10.429 6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -1.068 9.158 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -4.179 9.098 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.213 7.609 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.526 7.924 6.064 1.00 0.00 H new ATOM 1896 N GLU A 120 -1.492 6.028 9.517 1.00 0.00 N ATOM 1897 CA GLU A 120 -0.830 4.842 10.034 1.00 0.00 C ATOM 1898 C GLU A 120 -1.864 3.780 10.413 1.00 0.00 C ATOM 1899 O GLU A 120 -1.689 2.601 10.108 1.00 0.00 O ATOM 1900 CB GLU A 120 0.063 5.189 11.227 1.00 0.00 C ATOM 1901 CG GLU A 120 1.105 6.242 10.845 1.00 0.00 C ATOM 1902 CD GLU A 120 1.655 5.984 9.440 1.00 0.00 C ATOM 1903 OE1 GLU A 120 2.140 4.853 9.220 1.00 0.00 O ATOM 1904 OE2 GLU A 120 1.579 6.924 8.620 1.00 0.00 O ATOM 0 H GLU A 120 -1.133 6.910 9.882 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.191 4.435 9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.550 5.560 12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.564 4.289 11.584 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.657 7.235 10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 120 1.921 6.230 11.567 1.00 0.00 H new ATOM 1911 N ALA A 121 -2.918 4.236 11.073 1.00 0.00 N ATOM 1912 CA ALA A 121 -3.980 3.339 11.497 1.00 0.00 C ATOM 1913 C ALA A 121 -4.290 2.353 10.370 1.00 0.00 C ATOM 1914 O ALA A 121 -4.532 1.173 10.621 1.00 0.00 O ATOM 1915 CB ALA A 121 -5.206 4.158 11.908 1.00 0.00 C ATOM 0 H ALA A 121 -3.060 5.214 11.325 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.668 2.759 12.366 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.003 3.486 12.226 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.941 4.822 12.731 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.549 4.751 11.060 1.00 0.00 H new ATOM 1921 N ALA A 122 -4.272 2.872 9.151 1.00 0.00 N ATOM 1922 CA ALA A 122 -4.548 2.051 7.984 1.00 0.00 C ATOM 1923 C ALA A 122 -3.692 0.785 8.042 1.00 0.00 C ATOM 1924 O ALA A 122 -4.221 -0.325 8.082 1.00 0.00 O ATOM 1925 CB ALA A 122 -4.296 2.868 6.715 1.00 0.00 C ATOM 0 H ALA A 122 -4.071 3.851 8.946 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.593 1.741 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.503 2.253 5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.949 3.740 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.256 3.194 6.692 1.00 0.00 H new ATOM 1931 N LEU A 123 -2.384 0.993 8.046 1.00 0.00 N ATOM 1932 CA LEU A 123 -1.449 -0.119 8.099 1.00 0.00 C ATOM 1933 C LEU A 123 -1.772 -0.993 9.313 1.00 0.00 C ATOM 1934 O LEU A 123 -1.946 -2.204 9.181 1.00 0.00 O ATOM 1935 CB LEU A 123 -0.007 0.392 8.076 1.00 0.00 C ATOM 1936 CG LEU A 123 1.083 -0.669 8.238 1.00 0.00 C ATOM 1937 CD1 LEU A 123 1.223 -1.509 6.967 1.00 0.00 C ATOM 1938 CD2 LEU A 123 2.411 -0.032 8.653 1.00 0.00 C ATOM 0 H LEU A 123 -1.949 1.915 8.013 1.00 0.00 H new ATOM 0 HA LEU A 123 -1.554 -0.748 7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.158 0.913 7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.109 1.128 8.871 1.00 0.00 H new ATOM 0 HG LEU A 123 0.786 -1.345 9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.004 -2.256 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.278 -2.009 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.487 -0.862 6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 123 3.169 -0.808 8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 123 2.727 0.680 7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.284 0.487 9.603 1.00 0.00 H new ATOM 1950 N LEU A 124 -1.842 -0.346 10.467 1.00 0.00 N ATOM 1951 CA LEU A 124 -2.141 -1.049 11.702 1.00 0.00 C ATOM 1952 C LEU A 124 -3.384 -1.919 11.501 1.00 0.00 C ATOM 1953 O LEU A 124 -3.371 -3.108 11.816 1.00 0.00 O ATOM 1954 CB LEU A 124 -2.263 -0.062 12.865 1.00 0.00 C ATOM 1955 CG LEU A 124 -1.045 0.828 13.119 1.00 0.00 C ATOM 1956 CD1 LEU A 124 -1.397 1.983 14.059 1.00 0.00 C ATOM 1957 CD2 LEU A 124 0.137 0.007 13.637 1.00 0.00 C ATOM 0 H LEU A 124 -1.697 0.658 10.572 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.322 -1.718 11.967 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -3.125 0.579 12.682 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.472 -0.626 13.774 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.739 1.267 12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.514 2.600 14.223 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.185 2.589 13.612 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.743 1.584 15.012 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.989 0.665 13.809 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.140 -0.480 14.572 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.406 -0.749 12.900 1.00 0.00 H new ATOM 1969 N ARG A 125 -4.427 -1.292 10.978 1.00 0.00 N ATOM 1970 CA ARG A 125 -5.675 -1.994 10.731 1.00 0.00 C ATOM 1971 C ARG A 125 -5.452 -3.144 9.746 1.00 0.00 C ATOM 1972 O ARG A 125 -5.606 -4.311 10.103 1.00 0.00 O ATOM 1973 CB ARG A 125 -6.737 -1.048 10.167 1.00 0.00 C ATOM 1974 CG ARG A 125 -7.497 -0.343 11.293 1.00 0.00 C ATOM 1975 CD ARG A 125 -8.005 1.026 10.838 1.00 0.00 C ATOM 1976 NE ARG A 125 -8.839 1.635 11.899 1.00 0.00 N ATOM 1977 CZ ARG A 125 -10.084 1.238 12.196 1.00 0.00 C ATOM 1978 NH1 ARG A 125 -10.647 0.231 11.515 1.00 0.00 N ATOM 1979 NH2 ARG A 125 -10.765 1.848 13.175 1.00 0.00 N ATOM 0 H ARG A 125 -4.434 -0.306 10.718 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.026 -2.390 11.684 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.264 -0.307 9.523 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -7.436 -1.609 9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -8.338 -0.960 11.611 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.844 -0.224 12.158 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -7.162 1.678 10.608 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -8.587 0.921 9.922 1.00 0.00 H new ATOM 0 HE ARG A 125 -8.441 2.405 12.437 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -10.128 -0.234 10.770 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -11.595 -0.071 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -10.336 2.614 13.694 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -11.713 1.546 13.402 1.00 0.00 H new ATOM 1993 N LEU A 126 -5.092 -2.774 8.526 1.00 0.00 N ATOM 1994 CA LEU A 126 -4.846 -3.759 7.487 1.00 0.00 C ATOM 1995 C LEU A 126 -4.012 -4.905 8.064 1.00 0.00 C ATOM 1996 O LEU A 126 -4.380 -6.072 7.935 1.00 0.00 O ATOM 1997 CB LEU A 126 -4.216 -3.098 6.259 1.00 0.00 C ATOM 1998 CG LEU A 126 -5.085 -2.070 5.531 1.00 0.00 C ATOM 1999 CD1 LEU A 126 -4.221 -1.071 4.759 1.00 0.00 C ATOM 2000 CD2 LEU A 126 -6.110 -2.760 4.628 1.00 0.00 C ATOM 0 H LEU A 126 -4.965 -1.805 8.234 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.786 -4.190 7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.292 -2.610 6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.942 -3.880 5.551 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.643 -1.504 6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.863 -0.351 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.565 -0.545 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.619 -1.603 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.715 -2.007 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.591 -3.367 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.755 -3.398 5.232 1.00 0.00 H new ATOM 2012 N GLN A 127 -2.905 -4.532 8.688 1.00 0.00 N ATOM 2013 CA GLN A 127 -2.016 -5.514 9.286 1.00 0.00 C ATOM 2014 C GLN A 127 -2.761 -6.331 10.343 1.00 0.00 C ATOM 2015 O GLN A 127 -2.487 -7.517 10.524 1.00 0.00 O ATOM 2016 CB GLN A 127 -0.779 -4.841 9.884 1.00 0.00 C ATOM 2017 CG GLN A 127 0.323 -4.685 8.834 1.00 0.00 C ATOM 2018 CD GLN A 127 1.644 -4.268 9.483 1.00 0.00 C ATOM 2019 OE1 GLN A 127 1.757 -4.132 10.690 1.00 0.00 O ATOM 2020 NE2 GLN A 127 2.634 -4.073 8.616 1.00 0.00 N ATOM 0 H GLN A 127 -2.603 -3.563 8.793 1.00 0.00 H new ATOM 0 HA GLN A 127 -1.677 -6.193 8.503 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.049 -3.862 10.281 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.408 -5.433 10.721 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.457 -5.626 8.300 1.00 0.00 H new ATOM 0 HG3 GLN A 127 0.025 -3.940 8.097 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.471 -4.205 7.618 1.00 0.00 H new ATOM 0 HE22 GLN A 127 3.556 -3.792 8.950 1.00 0.00 H new ATOM 2029 N ALA A 128 -3.689 -5.665 11.014 1.00 0.00 N ATOM 2030 CA ALA A 128 -4.476 -6.314 12.049 1.00 0.00 C ATOM 2031 C ALA A 128 -5.420 -7.331 11.403 1.00 0.00 C ATOM 2032 O ALA A 128 -5.958 -8.203 12.083 1.00 0.00 O ATOM 2033 CB ALA A 128 -5.225 -5.256 12.861 1.00 0.00 C ATOM 0 H ALA A 128 -3.914 -4.682 10.861 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.830 -6.856 12.739 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.815 -5.743 13.637 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.508 -4.577 13.323 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -5.886 -4.693 12.203 1.00 0.00 H new ATOM 2039 N GLN A 129 -5.592 -7.184 10.097 1.00 0.00 N ATOM 2040 CA GLN A 129 -6.462 -8.078 9.352 1.00 0.00 C ATOM 2041 C GLN A 129 -5.646 -9.209 8.722 1.00 0.00 C ATOM 2042 O GLN A 129 -6.182 -10.277 8.430 1.00 0.00 O ATOM 2043 CB GLN A 129 -7.252 -7.314 8.288 1.00 0.00 C ATOM 2044 CG GLN A 129 -8.294 -6.398 8.933 1.00 0.00 C ATOM 2045 CD GLN A 129 -9.507 -6.217 8.017 1.00 0.00 C ATOM 2046 OE1 GLN A 129 -10.107 -7.168 7.544 1.00 0.00 O ATOM 2047 NE2 GLN A 129 -9.832 -4.947 7.794 1.00 0.00 N ATOM 0 H GLN A 129 -5.144 -6.459 9.536 1.00 0.00 H new ATOM 0 HA GLN A 129 -7.180 -8.516 10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.570 -6.722 7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.746 -8.019 7.620 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -8.613 -6.819 9.886 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.847 -5.427 9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.287 -4.198 8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.626 -4.721 7.195 1.00 0.00 H new ATOM 2056 N VAL A 130 -4.364 -8.936 8.532 1.00 0.00 N ATOM 2057 CA VAL A 130 -3.469 -9.917 7.942 1.00 0.00 C ATOM 2058 C VAL A 130 -3.113 -10.972 8.992 1.00 0.00 C ATOM 2059 O VAL A 130 -3.096 -12.166 8.696 1.00 0.00 O ATOM 2060 CB VAL A 130 -2.241 -9.219 7.355 1.00 0.00 C ATOM 2061 CG1 VAL A 130 -1.234 -10.239 6.820 1.00 0.00 C ATOM 2062 CG2 VAL A 130 -2.644 -8.223 6.266 1.00 0.00 C ATOM 0 H VAL A 130 -3.923 -8.049 8.776 1.00 0.00 H new ATOM 0 HA VAL A 130 -3.958 -10.433 7.116 1.00 0.00 H new ATOM 0 HB VAL A 130 -1.758 -8.661 8.157 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.371 -9.716 6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -0.911 -10.891 7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -1.702 -10.837 6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -1.752 -7.741 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -3.162 -8.750 5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -3.305 -7.468 6.691 1.00 0.00 H new ATOM 2072 N ARG A 131 -2.836 -10.493 10.195 1.00 0.00 N ATOM 2073 CA ARG A 131 -2.481 -11.380 11.290 1.00 0.00 C ATOM 2074 C ARG A 131 -3.440 -12.570 11.341 1.00 0.00 C ATOM 2075 O ARG A 131 -3.087 -13.636 11.844 1.00 0.00 O ATOM 2076 CB ARG A 131 -2.521 -10.643 12.631 1.00 0.00 C ATOM 2077 CG ARG A 131 -1.150 -10.060 12.977 1.00 0.00 C ATOM 2078 CD ARG A 131 -1.239 -9.134 14.192 1.00 0.00 C ATOM 2079 NE ARG A 131 -0.278 -8.017 14.049 1.00 0.00 N ATOM 2080 CZ ARG A 131 0.208 -7.308 15.077 1.00 0.00 C ATOM 2081 NH1 ARG A 131 -0.174 -7.594 16.328 1.00 0.00 N ATOM 2082 NH2 ARG A 131 1.076 -6.312 14.852 1.00 0.00 N ATOM 0 H ARG A 131 -2.850 -9.502 10.436 1.00 0.00 H new ATOM 0 HA ARG A 131 -1.466 -11.735 11.114 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -3.260 -9.843 12.588 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -2.838 -11.328 13.417 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -0.448 -10.868 13.182 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -0.759 -9.508 12.122 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -2.252 -8.743 14.288 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -1.026 -9.694 15.103 1.00 0.00 H new ATOM 0 HE ARG A 131 0.034 -7.772 13.109 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -0.835 -8.352 16.499 1.00 0.00 H new ATOM 0 HH12 ARG A 131 0.196 -7.054 17.110 1.00 0.00 H new ATOM 0 HH21 ARG A 131 1.366 -6.094 13.899 1.00 0.00 H new ATOM 0 HH22 ARG A 131 1.446 -5.772 15.634 1.00 0.00 H new ATOM 2096 N LYS A 132 -4.635 -12.349 10.814 1.00 0.00 N ATOM 2097 CA LYS A 132 -5.648 -13.391 10.793 1.00 0.00 C ATOM 2098 C LYS A 132 -5.461 -14.254 9.543 1.00 0.00 C ATOM 2099 O LYS A 132 -5.557 -15.478 9.610 1.00 0.00 O ATOM 2100 CB LYS A 132 -7.046 -12.781 10.915 1.00 0.00 C ATOM 2101 CG LYS A 132 -8.027 -13.461 9.957 1.00 0.00 C ATOM 2102 CD LYS A 132 -8.038 -12.761 8.596 1.00 0.00 C ATOM 2103 CE LYS A 132 -8.356 -13.751 7.474 1.00 0.00 C ATOM 2104 NZ LYS A 132 -9.805 -13.743 7.172 1.00 0.00 N ATOM 0 H LYS A 132 -4.925 -11.464 10.398 1.00 0.00 H new ATOM 0 HA LYS A 132 -5.535 -14.049 11.655 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -7.403 -12.883 11.940 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -7.001 -11.714 10.698 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -7.750 -14.508 9.830 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -9.029 -13.446 10.386 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -8.778 -11.961 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -7.068 -12.298 8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -7.790 -13.490 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -8.045 -14.754 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.004 -14.420 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -10.338 -14.014 8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -10.092 -12.789 6.872 1.00 0.00 H new ATOM 2118 N ALA A 133 -5.197 -13.581 8.433 1.00 0.00 N ATOM 2119 CA ALA A 133 -4.995 -14.271 7.170 1.00 0.00 C ATOM 2120 C ALA A 133 -3.719 -15.111 7.251 1.00 0.00 C ATOM 2121 O ALA A 133 -3.636 -16.180 6.649 1.00 0.00 O ATOM 2122 CB ALA A 133 -4.950 -13.250 6.032 1.00 0.00 C ATOM 0 H ALA A 133 -5.118 -12.565 8.382 1.00 0.00 H new ATOM 0 HA ALA A 133 -5.824 -14.949 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -4.798 -13.767 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -5.891 -12.700 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.129 -12.553 6.200 1.00 0.00 H new ATOM 2128 N LEU A 134 -2.755 -14.594 7.999 1.00 0.00 N ATOM 2129 CA LEU A 134 -1.487 -15.283 8.166 1.00 0.00 C ATOM 2130 C LEU A 134 -1.704 -16.546 9.002 1.00 0.00 C ATOM 2131 O LEU A 134 -1.251 -17.627 8.628 1.00 0.00 O ATOM 2132 CB LEU A 134 -0.435 -14.335 8.745 1.00 0.00 C ATOM 2133 CG LEU A 134 -0.339 -14.291 10.272 1.00 0.00 C ATOM 2134 CD1 LEU A 134 0.186 -15.617 10.826 1.00 0.00 C ATOM 2135 CD2 LEU A 134 0.504 -13.102 10.735 1.00 0.00 C ATOM 0 H LEU A 134 -2.827 -13.706 8.496 1.00 0.00 H new ATOM 0 HA LEU A 134 -1.097 -15.603 7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 134 0.539 -14.619 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.645 -13.328 8.385 1.00 0.00 H new ATOM 0 HG LEU A 134 -1.342 -14.149 10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 134 0.245 -15.559 11.913 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.490 -16.423 10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 134 1.178 -15.814 10.419 1.00 0.00 H new ATOM 0 HD21 LEU A 134 0.556 -13.095 11.824 1.00 0.00 H new ATOM 0 HD22 LEU A 134 1.510 -13.187 10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 134 0.048 -12.175 10.387 1.00 0.00 H new ATOM 2147 N THR A 135 -2.395 -16.367 10.118 1.00 0.00 N ATOM 2148 CA THR A 135 -2.677 -17.479 11.009 1.00 0.00 C ATOM 2149 C THR A 135 -3.848 -18.307 10.476 1.00 0.00 C ATOM 2150 O THR A 135 -4.185 -19.347 11.038 1.00 0.00 O ATOM 2151 CB THR A 135 -2.923 -16.912 12.409 1.00 0.00 C ATOM 2152 OG1 THR A 135 -3.265 -18.053 13.191 1.00 0.00 O ATOM 2153 CG2 THR A 135 -4.171 -16.029 12.473 1.00 0.00 C ATOM 0 H THR A 135 -2.768 -15.469 10.425 1.00 0.00 H new ATOM 0 HA THR A 135 -1.832 -18.166 11.063 1.00 0.00 H new ATOM 0 HB THR A 135 -2.054 -16.335 12.724 1.00 0.00 H new ATOM 0 HG1 THR A 135 -3.505 -18.796 12.598 1.00 0.00 H new ATOM 0 HG21 THR A 135 -4.299 -15.653 13.488 1.00 0.00 H new ATOM 0 HG22 THR A 135 -4.059 -15.190 11.787 1.00 0.00 H new ATOM 0 HG23 THR A 135 -5.046 -16.614 12.190 1.00 0.00 H new ATOM 2161 N SER A 136 -4.436 -17.813 9.396 1.00 0.00 N ATOM 2162 CA SER A 136 -5.562 -18.495 8.780 1.00 0.00 C ATOM 2163 C SER A 136 -5.938 -17.803 7.468 1.00 0.00 C ATOM 2164 O SER A 136 -6.836 -16.963 7.439 1.00 0.00 O ATOM 2165 CB SER A 136 -6.766 -18.533 9.723 1.00 0.00 C ATOM 2166 OG SER A 136 -7.178 -19.867 10.010 1.00 0.00 O ATOM 0 H SER A 136 -4.154 -16.949 8.932 1.00 0.00 H new ATOM 0 HA SER A 136 -5.266 -19.523 8.570 1.00 0.00 H new ATOM 0 HB2 SER A 136 -6.514 -18.023 10.653 1.00 0.00 H new ATOM 0 HB3 SER A 136 -7.595 -17.986 9.274 1.00 0.00 H new ATOM 0 HG SER A 136 -7.948 -19.848 10.616 1.00 0.00 H new TER 2172 SER A 136