USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 3 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.77) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 170:sc= 0.003 USER MOD Single : A 15 HIS : no HD1:sc= -2.47! K(o=-2.5!,f=-1.8) USER MOD Single : A 20 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 24 GLN : amide:sc= -0.186 K(o=-0.19,f=-2!) USER MOD Single : A 25 THR OG1 : rot -60:sc= -1.25 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= -0.0946 (180deg=-0.492) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 34 ASN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.14 K(o=-0.14,f=-6.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -72:sc= 1.23 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 119:sc= 0.0508 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc=-0.00785 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.95 K(o=-6,f=-19!) USER MOD Single : A 80 THR OG1 : rot 110:sc= 1.21 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -150:sc=-0.00694 (180deg=-0.0798) USER MOD Single : A 83 SER OG : rot -95:sc= 0.862 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 3 8.999 -0.263 8.360 1.00 0.00 N ATOM 12 CA GLN A 3 7.577 0.028 8.015 1.00 0.00 C ATOM 13 C GLN A 3 7.368 1.541 7.918 1.00 0.00 C ATOM 14 O GLN A 3 8.308 2.312 7.979 1.00 0.00 O ATOM 15 CB GLN A 3 6.663 -0.550 9.100 1.00 0.00 C ATOM 16 CG GLN A 3 7.068 0.005 10.471 1.00 0.00 C ATOM 17 CD GLN A 3 6.147 1.168 10.847 1.00 0.00 C ATOM 18 OE1 GLN A 3 6.538 2.316 10.771 1.00 0.00 O ATOM 19 NE2 GLN A 3 4.932 0.918 11.252 1.00 0.00 N ATOM 0 HA GLN A 3 7.336 -0.428 7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.625 -0.296 8.887 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.731 -1.638 9.104 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.006 -0.780 11.225 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.104 0.342 10.446 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.604 -0.046 11.316 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.310 1.686 11.505 1.00 0.00 H new ATOM 28 N LYS A 4 6.140 1.967 7.766 1.00 0.00 N ATOM 29 CA LYS A 4 5.852 3.427 7.661 1.00 0.00 C ATOM 30 C LYS A 4 4.335 3.639 7.660 1.00 0.00 C ATOM 31 O LYS A 4 3.570 2.697 7.568 1.00 0.00 O ATOM 32 CB LYS A 4 6.451 3.971 6.358 1.00 0.00 C ATOM 33 CG LYS A 4 7.735 4.749 6.663 1.00 0.00 C ATOM 34 CD LYS A 4 7.849 5.943 5.711 1.00 0.00 C ATOM 35 CE LYS A 4 8.857 6.949 6.271 1.00 0.00 C ATOM 36 NZ LYS A 4 8.523 8.314 5.775 1.00 0.00 N ATOM 0 H LYS A 4 5.321 1.362 7.710 1.00 0.00 H new ATOM 0 HA LYS A 4 6.293 3.954 8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.666 3.149 5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.731 4.620 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.726 5.094 7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.602 4.098 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.166 5.606 4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.876 6.418 5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.838 6.931 7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.867 6.676 5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.207 8.999 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.563 8.325 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.565 8.572 6.088 1.00 0.00 H new ATOM 50 N THR A 5 3.899 4.868 7.762 1.00 0.00 N ATOM 51 CA THR A 5 2.434 5.150 7.768 1.00 0.00 C ATOM 52 C THR A 5 2.099 6.129 6.641 1.00 0.00 C ATOM 53 O THR A 5 2.932 6.907 6.216 1.00 0.00 O ATOM 54 CB THR A 5 2.040 5.763 9.113 1.00 0.00 C ATOM 55 OG1 THR A 5 2.806 5.163 10.148 1.00 0.00 O ATOM 56 CG2 THR A 5 0.552 5.519 9.370 1.00 0.00 C ATOM 0 H THR A 5 4.497 5.690 7.842 1.00 0.00 H new ATOM 0 HA THR A 5 1.883 4.222 7.617 1.00 0.00 H new ATOM 0 HB THR A 5 2.232 6.836 9.094 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.556 5.556 11.010 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.272 5.956 10.328 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.035 5.980 8.576 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.357 4.447 9.389 1.00 0.00 H new ATOM 64 N PHE A 6 0.884 6.093 6.155 1.00 0.00 N ATOM 65 CA PHE A 6 0.486 7.018 5.053 1.00 0.00 C ATOM 66 C PHE A 6 -0.971 7.442 5.241 1.00 0.00 C ATOM 67 O PHE A 6 -1.817 6.645 5.603 1.00 0.00 O ATOM 68 CB PHE A 6 0.639 6.305 3.708 1.00 0.00 C ATOM 69 CG PHE A 6 2.098 6.004 3.465 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.652 4.806 3.931 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.896 6.925 2.777 1.00 0.00 C ATOM 72 CE1 PHE A 6 4.006 4.528 3.708 1.00 0.00 C ATOM 73 CE2 PHE A 6 4.250 6.647 2.554 1.00 0.00 C ATOM 74 CZ PHE A 6 4.805 5.449 3.019 1.00 0.00 C ATOM 0 H PHE A 6 0.150 5.461 6.475 1.00 0.00 H new ATOM 0 HA PHE A 6 1.126 7.900 5.073 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.060 5.381 3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.246 6.930 2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.035 4.096 4.462 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.468 7.849 2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.434 3.604 4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.866 7.357 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.849 5.235 2.846 1.00 0.00 H new ATOM 84 N LYS A 7 -1.267 8.692 4.995 1.00 0.00 N ATOM 85 CA LYS A 7 -2.667 9.182 5.153 1.00 0.00 C ATOM 86 C LYS A 7 -3.338 9.236 3.778 1.00 0.00 C ATOM 87 O LYS A 7 -3.003 10.059 2.947 1.00 0.00 O ATOM 88 CB LYS A 7 -2.645 10.583 5.783 1.00 0.00 C ATOM 89 CG LYS A 7 -3.527 10.605 7.035 1.00 0.00 C ATOM 90 CD LYS A 7 -4.999 10.706 6.624 1.00 0.00 C ATOM 91 CE LYS A 7 -5.757 11.583 7.625 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.699 12.473 6.890 1.00 0.00 N ATOM 0 H LYS A 7 -0.596 9.397 4.690 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.228 8.508 5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.623 10.859 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.001 11.320 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.364 9.702 7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.257 11.450 7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.078 11.129 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.445 9.712 6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.305 10.958 8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.055 12.180 8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.214 13.069 7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.165 13.078 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.376 11.894 6.354 1.00 0.00 H new ATOM 106 N VAL A 8 -4.281 8.361 3.535 1.00 0.00 N ATOM 107 CA VAL A 8 -4.977 8.351 2.216 1.00 0.00 C ATOM 108 C VAL A 8 -5.833 9.611 2.079 1.00 0.00 C ATOM 109 O VAL A 8 -6.672 9.895 2.913 1.00 0.00 O ATOM 110 CB VAL A 8 -5.875 7.118 2.115 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.449 7.022 0.700 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.055 5.861 2.418 1.00 0.00 C ATOM 0 H VAL A 8 -4.598 7.652 4.196 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.233 8.325 1.420 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.689 7.202 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.090 6.143 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.033 7.916 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.634 6.938 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.696 4.982 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.240 5.776 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.644 5.929 3.425 1.00 0.00 H new ATOM 122 N THR A 9 -5.628 10.362 1.028 1.00 0.00 N ATOM 123 CA THR A 9 -6.428 11.604 0.822 1.00 0.00 C ATOM 124 C THR A 9 -7.045 11.604 -0.583 1.00 0.00 C ATOM 125 O THR A 9 -7.439 12.639 -1.089 1.00 0.00 O ATOM 126 CB THR A 9 -5.517 12.823 0.974 1.00 0.00 C ATOM 127 OG1 THR A 9 -4.657 12.632 2.088 1.00 0.00 O ATOM 128 CG2 THR A 9 -6.368 14.074 1.192 1.00 0.00 C ATOM 0 H THR A 9 -4.939 10.167 0.302 1.00 0.00 H new ATOM 0 HA THR A 9 -7.226 11.643 1.563 1.00 0.00 H new ATOM 0 HB THR A 9 -4.920 12.947 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.071 13.411 2.186 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.718 14.942 1.300 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.028 14.219 0.336 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.966 13.954 2.095 1.00 0.00 H new ATOM 136 N ALA A 10 -7.135 10.458 -1.215 1.00 0.00 N ATOM 137 CA ALA A 10 -7.728 10.396 -2.583 1.00 0.00 C ATOM 138 C ALA A 10 -9.253 10.458 -2.478 1.00 0.00 C ATOM 139 O ALA A 10 -9.842 9.913 -1.563 1.00 0.00 O ATOM 140 CB ALA A 10 -7.315 9.089 -3.261 1.00 0.00 C ATOM 0 H ALA A 10 -6.822 9.563 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.369 11.239 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.749 9.045 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.228 9.045 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.673 8.245 -2.672 1.00 0.00 H new ATOM 146 N ASP A 11 -9.893 11.122 -3.406 1.00 0.00 N ATOM 147 CA ASP A 11 -11.381 11.228 -3.366 1.00 0.00 C ATOM 148 C ASP A 11 -12.016 9.857 -3.642 1.00 0.00 C ATOM 149 O ASP A 11 -13.141 9.602 -3.255 1.00 0.00 O ATOM 150 CB ASP A 11 -11.855 12.245 -4.416 1.00 0.00 C ATOM 151 CG ASP A 11 -11.467 11.785 -5.829 1.00 0.00 C ATOM 152 OD1 ASP A 11 -10.540 11.001 -5.950 1.00 0.00 O ATOM 153 OD2 ASP A 11 -12.108 12.228 -6.768 1.00 0.00 O ATOM 0 H ASP A 11 -9.447 11.596 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.687 11.564 -2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.936 12.365 -4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.413 13.220 -4.211 1.00 0.00 H new ATOM 158 N SER A 12 -11.308 8.978 -4.310 1.00 0.00 N ATOM 159 CA SER A 12 -11.875 7.629 -4.612 1.00 0.00 C ATOM 160 C SER A 12 -11.321 6.580 -3.636 1.00 0.00 C ATOM 161 O SER A 12 -11.483 5.393 -3.845 1.00 0.00 O ATOM 162 CB SER A 12 -11.501 7.233 -6.041 1.00 0.00 C ATOM 163 OG SER A 12 -10.097 7.375 -6.215 1.00 0.00 O ATOM 0 H SER A 12 -10.363 9.138 -4.658 1.00 0.00 H new ATOM 0 HA SER A 12 -12.959 7.672 -4.505 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.801 6.203 -6.236 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.033 7.861 -6.756 1.00 0.00 H new ATOM 0 HG SER A 12 -9.831 6.973 -7.068 1.00 0.00 H new ATOM 169 N GLY A 13 -10.670 7.000 -2.573 1.00 0.00 N ATOM 170 CA GLY A 13 -10.112 6.016 -1.593 1.00 0.00 C ATOM 171 C GLY A 13 -9.125 5.081 -2.299 1.00 0.00 C ATOM 172 O GLY A 13 -8.305 5.513 -3.088 1.00 0.00 O ATOM 0 H GLY A 13 -10.503 7.980 -2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.611 6.543 -0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.920 5.436 -1.146 1.00 0.00 H new ATOM 176 N ILE A 14 -9.203 3.804 -2.022 1.00 0.00 N ATOM 177 CA ILE A 14 -8.277 2.832 -2.673 1.00 0.00 C ATOM 178 C ILE A 14 -9.066 1.603 -3.132 1.00 0.00 C ATOM 179 O ILE A 14 -9.465 0.779 -2.330 1.00 0.00 O ATOM 180 CB ILE A 14 -7.200 2.402 -1.675 1.00 0.00 C ATOM 181 CG1 ILE A 14 -6.511 3.642 -1.101 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.163 1.530 -2.387 1.00 0.00 C ATOM 183 CD1 ILE A 14 -5.591 3.228 0.050 1.00 0.00 C ATOM 0 H ILE A 14 -9.871 3.393 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.805 3.304 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.661 1.834 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.935 4.144 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.256 4.354 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.396 1.224 -1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.651 0.646 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.703 2.099 -3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.100 4.111 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.179 2.746 0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.837 2.532 -0.319 1.00 0.00 H new ATOM 195 N HIS A 15 -9.294 1.476 -4.416 1.00 0.00 N ATOM 196 CA HIS A 15 -10.058 0.303 -4.933 1.00 0.00 C ATOM 197 C HIS A 15 -9.175 -0.500 -5.925 1.00 0.00 C ATOM 198 O HIS A 15 -8.072 -0.883 -5.578 1.00 0.00 O ATOM 199 CB HIS A 15 -11.376 0.790 -5.571 1.00 0.00 C ATOM 200 CG HIS A 15 -11.114 1.929 -6.523 1.00 0.00 C ATOM 201 ND1 HIS A 15 -11.191 1.782 -7.899 1.00 0.00 N ATOM 202 CD2 HIS A 15 -10.787 3.246 -6.306 1.00 0.00 C ATOM 203 CE1 HIS A 15 -10.916 2.978 -8.450 1.00 0.00 C ATOM 204 NE2 HIS A 15 -10.663 3.905 -7.523 1.00 0.00 N ATOM 0 H HIS A 15 -8.983 2.136 -5.128 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.320 -0.371 -4.118 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.855 -0.032 -6.102 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -12.067 1.112 -4.792 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.647 3.700 -5.336 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.902 3.166 -9.513 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.429 4.886 -7.675 1.00 0.00 H new ATOM 212 N ALA A 16 -9.634 -0.789 -7.130 1.00 0.00 N ATOM 213 CA ALA A 16 -8.804 -1.596 -8.079 1.00 0.00 C ATOM 214 C ALA A 16 -7.787 -0.723 -8.825 1.00 0.00 C ATOM 215 O ALA A 16 -6.729 -1.193 -9.197 1.00 0.00 O ATOM 216 CB ALA A 16 -9.725 -2.270 -9.097 1.00 0.00 C ATOM 0 H ALA A 16 -10.544 -0.499 -7.489 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.254 -2.340 -7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.128 -2.860 -9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.427 -2.922 -8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.277 -1.509 -9.648 1.00 0.00 H new ATOM 222 N ARG A 17 -8.096 0.527 -9.067 1.00 0.00 N ATOM 223 CA ARG A 17 -7.135 1.401 -9.812 1.00 0.00 C ATOM 224 C ARG A 17 -5.818 1.532 -9.019 1.00 0.00 C ATOM 225 O ARG A 17 -4.765 1.240 -9.553 1.00 0.00 O ATOM 226 CB ARG A 17 -7.757 2.787 -10.036 1.00 0.00 C ATOM 227 CG ARG A 17 -7.741 3.133 -11.528 1.00 0.00 C ATOM 228 CD ARG A 17 -8.981 3.958 -11.875 1.00 0.00 C ATOM 229 NE ARG A 17 -8.682 5.406 -11.689 1.00 0.00 N ATOM 230 CZ ARG A 17 -8.707 5.929 -10.494 1.00 0.00 C ATOM 231 NH1 ARG A 17 -9.841 6.312 -9.973 1.00 0.00 N ATOM 232 NH2 ARG A 17 -7.599 6.071 -9.820 1.00 0.00 N ATOM 0 H ARG A 17 -8.966 0.978 -8.784 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.919 0.949 -10.780 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.781 2.800 -9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.203 3.539 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.839 3.693 -11.772 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.720 2.220 -12.123 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.281 3.767 -12.905 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.816 3.664 -11.240 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.458 5.988 -12.496 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.707 6.202 -10.500 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.861 6.721 -9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.713 5.773 -10.227 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.619 6.480 -8.886 1.00 0.00 H new ATOM 246 N PRO A 18 -5.892 1.964 -7.771 1.00 0.00 N ATOM 247 CA PRO A 18 -4.686 2.122 -6.938 1.00 0.00 C ATOM 248 C PRO A 18 -4.189 0.761 -6.434 1.00 0.00 C ATOM 249 O PRO A 18 -3.045 0.621 -6.046 1.00 0.00 O ATOM 250 CB PRO A 18 -5.153 3.002 -5.778 1.00 0.00 C ATOM 251 CG PRO A 18 -6.685 2.837 -5.695 1.00 0.00 C ATOM 252 CD PRO A 18 -7.151 2.326 -7.070 1.00 0.00 C ATOM 0 HA PRO A 18 -3.850 2.560 -7.484 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.679 2.698 -4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.883 4.044 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.956 2.133 -4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.164 3.786 -5.452 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.813 1.466 -6.972 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.703 3.093 -7.614 1.00 0.00 H new ATOM 260 N ALA A 19 -5.034 -0.244 -6.439 1.00 0.00 N ATOM 261 CA ALA A 19 -4.600 -1.592 -5.967 1.00 0.00 C ATOM 262 C ALA A 19 -3.744 -2.263 -7.048 1.00 0.00 C ATOM 263 O ALA A 19 -2.917 -3.106 -6.757 1.00 0.00 O ATOM 264 CB ALA A 19 -5.830 -2.457 -5.687 1.00 0.00 C ATOM 0 H ALA A 19 -6.004 -0.186 -6.750 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.015 -1.483 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.512 -3.441 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.441 -1.983 -4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.415 -2.564 -6.600 1.00 0.00 H new ATOM 270 N THR A 20 -3.938 -1.895 -8.292 1.00 0.00 N ATOM 271 CA THR A 20 -3.140 -2.510 -9.395 1.00 0.00 C ATOM 272 C THR A 20 -1.794 -1.791 -9.513 1.00 0.00 C ATOM 273 O THR A 20 -0.776 -2.403 -9.777 1.00 0.00 O ATOM 274 CB THR A 20 -3.907 -2.378 -10.713 1.00 0.00 C ATOM 275 OG1 THR A 20 -5.253 -2.788 -10.519 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.251 -3.260 -11.777 1.00 0.00 C ATOM 0 H THR A 20 -4.616 -1.194 -8.590 1.00 0.00 H new ATOM 0 HA THR A 20 -2.970 -3.564 -9.177 1.00 0.00 H new ATOM 0 HB THR A 20 -3.888 -1.339 -11.043 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.791 -2.020 -10.234 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.798 -3.166 -12.715 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.218 -2.944 -11.925 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.269 -4.300 -11.450 1.00 0.00 H new ATOM 284 N VAL A 21 -1.782 -0.497 -9.319 1.00 0.00 N ATOM 285 CA VAL A 21 -0.501 0.266 -9.414 1.00 0.00 C ATOM 286 C VAL A 21 0.342 0.002 -8.158 1.00 0.00 C ATOM 287 O VAL A 21 1.559 0.041 -8.196 1.00 0.00 O ATOM 288 CB VAL A 21 -0.805 1.768 -9.549 1.00 0.00 C ATOM 289 CG1 VAL A 21 -1.553 2.274 -8.310 1.00 0.00 C ATOM 290 CG2 VAL A 21 0.507 2.546 -9.701 1.00 0.00 C ATOM 0 H VAL A 21 -2.605 0.065 -9.099 1.00 0.00 H new ATOM 0 HA VAL A 21 0.058 -0.059 -10.291 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.430 1.921 -10.429 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.761 3.338 -8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.491 1.730 -8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.939 2.114 -7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.290 3.610 -9.797 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.132 2.380 -8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.033 2.202 -10.591 1.00 0.00 H new ATOM 300 N LEU A 22 -0.300 -0.266 -7.049 1.00 0.00 N ATOM 301 CA LEU A 22 0.447 -0.532 -5.786 1.00 0.00 C ATOM 302 C LEU A 22 1.022 -1.949 -5.814 1.00 0.00 C ATOM 303 O LEU A 22 2.147 -2.175 -5.412 1.00 0.00 O ATOM 304 CB LEU A 22 -0.503 -0.391 -4.595 1.00 0.00 C ATOM 305 CG LEU A 22 -0.733 1.091 -4.300 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.930 1.246 -3.359 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.515 1.676 -3.636 1.00 0.00 C ATOM 0 H LEU A 22 -1.316 -0.312 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 22 1.262 0.185 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.452 -0.881 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.082 -0.886 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.933 1.620 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.093 2.303 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.820 0.828 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.731 0.718 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.353 2.733 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.714 1.146 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.368 1.566 -4.305 1.00 0.00 H new ATOM 319 N VAL A 23 0.258 -2.903 -6.283 1.00 0.00 N ATOM 320 CA VAL A 23 0.756 -4.310 -6.338 1.00 0.00 C ATOM 321 C VAL A 23 1.959 -4.388 -7.288 1.00 0.00 C ATOM 322 O VAL A 23 2.850 -5.197 -7.109 1.00 0.00 O ATOM 323 CB VAL A 23 -0.375 -5.228 -6.834 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.825 -4.791 -8.229 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.109 -6.685 -6.877 1.00 0.00 C ATOM 0 H VAL A 23 -0.691 -2.767 -6.631 1.00 0.00 H new ATOM 0 HA VAL A 23 1.068 -4.633 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.217 -5.154 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.626 -5.445 -8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.187 -3.764 -8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.017 -4.853 -8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.699 -7.326 -7.229 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.959 -6.766 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.411 -6.998 -5.877 1.00 0.00 H new ATOM 335 N GLN A 24 1.983 -3.553 -8.295 1.00 0.00 N ATOM 336 CA GLN A 24 3.118 -3.571 -9.265 1.00 0.00 C ATOM 337 C GLN A 24 4.398 -3.095 -8.575 1.00 0.00 C ATOM 338 O GLN A 24 5.448 -3.692 -8.720 1.00 0.00 O ATOM 339 CB GLN A 24 2.798 -2.642 -10.439 1.00 0.00 C ATOM 340 CG GLN A 24 1.953 -3.393 -11.470 1.00 0.00 C ATOM 341 CD GLN A 24 2.850 -4.326 -12.286 1.00 0.00 C ATOM 342 OE1 GLN A 24 4.026 -4.066 -12.449 1.00 0.00 O ATOM 343 NE2 GLN A 24 2.342 -5.408 -12.808 1.00 0.00 N ATOM 0 H GLN A 24 1.262 -2.857 -8.487 1.00 0.00 H new ATOM 0 HA GLN A 24 3.263 -4.588 -9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.261 -1.762 -10.084 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.721 -2.288 -10.898 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.174 -3.967 -10.968 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.452 -2.685 -12.130 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.355 -5.626 -12.671 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.932 -6.037 -13.353 1.00 0.00 H new ATOM 352 N THR A 25 4.319 -2.020 -7.832 1.00 0.00 N ATOM 353 CA THR A 25 5.530 -1.491 -7.134 1.00 0.00 C ATOM 354 C THR A 25 6.070 -2.539 -6.155 1.00 0.00 C ATOM 355 O THR A 25 7.248 -2.841 -6.146 1.00 0.00 O ATOM 356 CB THR A 25 5.158 -0.220 -6.366 1.00 0.00 C ATOM 357 OG1 THR A 25 4.498 0.684 -7.241 1.00 0.00 O ATOM 358 CG2 THR A 25 6.425 0.434 -5.814 1.00 0.00 C ATOM 0 H THR A 25 3.465 -1.484 -7.678 1.00 0.00 H new ATOM 0 HA THR A 25 6.299 -1.263 -7.873 1.00 0.00 H new ATOM 0 HB THR A 25 4.495 -0.475 -5.540 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.095 0.915 -7.983 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.159 1.339 -5.267 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.930 -0.260 -5.142 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.091 0.691 -6.638 1.00 0.00 H new ATOM 366 N ALA A 26 5.217 -3.089 -5.328 1.00 0.00 N ATOM 367 CA ALA A 26 5.672 -4.114 -4.341 1.00 0.00 C ATOM 368 C ALA A 26 6.152 -5.376 -5.068 1.00 0.00 C ATOM 369 O ALA A 26 6.909 -6.158 -4.523 1.00 0.00 O ATOM 370 CB ALA A 26 4.510 -4.476 -3.413 1.00 0.00 C ATOM 0 H ALA A 26 4.221 -2.871 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 26 6.498 -3.703 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.840 -5.224 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.176 -3.584 -2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.686 -4.878 -4.002 1.00 0.00 H new ATOM 376 N SER A 27 5.718 -5.585 -6.287 1.00 0.00 N ATOM 377 CA SER A 27 6.150 -6.799 -7.042 1.00 0.00 C ATOM 378 C SER A 27 7.657 -6.736 -7.310 1.00 0.00 C ATOM 379 O SER A 27 8.309 -7.752 -7.464 1.00 0.00 O ATOM 380 CB SER A 27 5.400 -6.864 -8.374 1.00 0.00 C ATOM 381 OG SER A 27 5.611 -8.138 -8.969 1.00 0.00 O ATOM 0 H SER A 27 5.083 -4.966 -6.791 1.00 0.00 H new ATOM 0 HA SER A 27 5.926 -7.687 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.335 -6.696 -8.214 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.750 -6.076 -9.041 1.00 0.00 H new ATOM 0 HG SER A 27 5.131 -8.184 -9.822 1.00 0.00 H new ATOM 387 N LYS A 28 8.213 -5.552 -7.371 1.00 0.00 N ATOM 388 CA LYS A 28 9.677 -5.417 -7.634 1.00 0.00 C ATOM 389 C LYS A 28 10.478 -5.933 -6.434 1.00 0.00 C ATOM 390 O LYS A 28 11.621 -6.326 -6.570 1.00 0.00 O ATOM 391 CB LYS A 28 10.014 -3.943 -7.873 1.00 0.00 C ATOM 392 CG LYS A 28 9.482 -3.513 -9.242 1.00 0.00 C ATOM 393 CD LYS A 28 10.592 -3.642 -10.286 1.00 0.00 C ATOM 394 CE LYS A 28 9.981 -4.017 -11.637 1.00 0.00 C ATOM 395 NZ LYS A 28 9.479 -5.419 -11.584 1.00 0.00 N ATOM 0 H LYS A 28 7.714 -4.671 -7.249 1.00 0.00 H new ATOM 0 HA LYS A 28 9.937 -6.004 -8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.573 -3.327 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.093 -3.794 -7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.630 -4.132 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.127 -2.483 -9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.138 -2.702 -10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.310 -4.401 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.165 -3.336 -11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.726 -3.916 -12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.540 -5.846 -12.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.057 -5.970 -10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.489 -5.421 -11.267 1.00 0.00 H new ATOM 409 N TYR A 29 9.894 -5.925 -5.261 1.00 0.00 N ATOM 410 CA TYR A 29 10.628 -6.406 -4.051 1.00 0.00 C ATOM 411 C TYR A 29 10.031 -7.731 -3.575 1.00 0.00 C ATOM 412 O TYR A 29 8.827 -7.892 -3.511 1.00 0.00 O ATOM 413 CB TYR A 29 10.511 -5.362 -2.935 1.00 0.00 C ATOM 414 CG TYR A 29 10.962 -4.020 -3.459 1.00 0.00 C ATOM 415 CD1 TYR A 29 10.064 -3.206 -4.158 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.279 -3.595 -3.253 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.483 -1.965 -4.653 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.698 -2.354 -3.745 1.00 0.00 C ATOM 419 CZ TYR A 29 11.801 -1.538 -4.446 1.00 0.00 C ATOM 420 OH TYR A 29 12.214 -0.314 -4.937 1.00 0.00 O ATOM 0 H TYR A 29 8.940 -5.606 -5.090 1.00 0.00 H new ATOM 0 HA TYR A 29 11.678 -6.556 -4.303 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.481 -5.301 -2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.121 -5.656 -2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.047 -3.535 -4.316 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.972 -4.225 -2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.790 -1.337 -5.194 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.714 -2.025 -3.584 1.00 0.00 H new ATOM 0 HH TYR A 29 13.155 -0.170 -4.706 1.00 0.00 H new ATOM 430 N ASP A 30 10.870 -8.680 -3.240 1.00 0.00 N ATOM 431 CA ASP A 30 10.364 -10.001 -2.763 1.00 0.00 C ATOM 432 C ASP A 30 10.148 -9.975 -1.241 1.00 0.00 C ATOM 433 O ASP A 30 9.821 -10.985 -0.646 1.00 0.00 O ATOM 434 CB ASP A 30 11.384 -11.087 -3.108 1.00 0.00 C ATOM 435 CG ASP A 30 11.639 -11.088 -4.616 1.00 0.00 C ATOM 436 OD1 ASP A 30 12.126 -10.086 -5.115 1.00 0.00 O ATOM 437 OD2 ASP A 30 11.342 -12.089 -5.247 1.00 0.00 O ATOM 0 H ASP A 30 11.886 -8.595 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 30 9.413 -10.212 -3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.316 -10.909 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.014 -12.062 -2.790 1.00 0.00 H new ATOM 442 N ALA A 31 10.324 -8.837 -0.605 1.00 0.00 N ATOM 443 CA ALA A 31 10.123 -8.765 0.872 1.00 0.00 C ATOM 444 C ALA A 31 8.651 -9.028 1.194 1.00 0.00 C ATOM 445 O ALA A 31 7.902 -9.501 0.359 1.00 0.00 O ATOM 446 CB ALA A 31 10.518 -7.374 1.373 1.00 0.00 C ATOM 0 H ALA A 31 10.597 -7.960 -1.048 1.00 0.00 H new ATOM 0 HA ALA A 31 10.743 -9.515 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.371 -7.321 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.566 -7.187 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.898 -6.622 0.885 1.00 0.00 H new ATOM 452 N ASP A 32 8.232 -8.727 2.397 1.00 0.00 N ATOM 453 CA ASP A 32 6.808 -8.958 2.776 1.00 0.00 C ATOM 454 C ASP A 32 6.082 -7.618 2.896 1.00 0.00 C ATOM 455 O ASP A 32 6.136 -6.963 3.920 1.00 0.00 O ATOM 456 CB ASP A 32 6.745 -9.689 4.116 1.00 0.00 C ATOM 457 CG ASP A 32 7.192 -11.140 3.930 1.00 0.00 C ATOM 458 OD1 ASP A 32 6.799 -11.738 2.942 1.00 0.00 O ATOM 459 OD2 ASP A 32 7.920 -11.628 4.779 1.00 0.00 O ATOM 0 H ASP A 32 8.817 -8.331 3.133 1.00 0.00 H new ATOM 0 HA ASP A 32 6.328 -9.564 2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.385 -9.191 4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.730 -9.658 4.511 1.00 0.00 H new ATOM 464 N VAL A 33 5.401 -7.212 1.857 1.00 0.00 N ATOM 465 CA VAL A 33 4.659 -5.918 1.897 1.00 0.00 C ATOM 466 C VAL A 33 3.201 -6.184 2.276 1.00 0.00 C ATOM 467 O VAL A 33 2.435 -6.707 1.489 1.00 0.00 O ATOM 468 CB VAL A 33 4.715 -5.252 0.522 1.00 0.00 C ATOM 469 CG1 VAL A 33 4.088 -3.859 0.603 1.00 0.00 C ATOM 470 CG2 VAL A 33 6.173 -5.129 0.074 1.00 0.00 C ATOM 0 H VAL A 33 5.327 -7.724 0.978 1.00 0.00 H new ATOM 0 HA VAL A 33 5.115 -5.259 2.636 1.00 0.00 H new ATOM 0 HB VAL A 33 4.163 -5.857 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.128 -3.384 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.049 -3.945 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.639 -3.253 1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.214 -4.654 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.725 -4.524 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.621 -6.121 0.015 1.00 0.00 H new ATOM 480 N ASN A 34 2.817 -5.833 3.477 1.00 0.00 N ATOM 481 CA ASN A 34 1.410 -6.067 3.916 1.00 0.00 C ATOM 482 C ASN A 34 0.716 -4.727 4.165 1.00 0.00 C ATOM 483 O ASN A 34 1.348 -3.743 4.500 1.00 0.00 O ATOM 484 CB ASN A 34 1.412 -6.887 5.208 1.00 0.00 C ATOM 485 CG ASN A 34 2.203 -8.178 4.992 1.00 0.00 C ATOM 486 OD1 ASN A 34 1.773 -9.054 4.270 1.00 0.00 O ATOM 487 ND2 ASN A 34 3.352 -8.333 5.593 1.00 0.00 N ATOM 0 H ASN A 34 3.419 -5.394 4.173 1.00 0.00 H new ATOM 0 HA ASN A 34 0.874 -6.610 3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.855 -6.308 6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.389 -7.120 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.888 -9.190 5.456 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.714 -7.597 6.200 1.00 0.00 H new ATOM 494 N LEU A 35 -0.582 -4.689 4.006 1.00 0.00 N ATOM 495 CA LEU A 35 -1.337 -3.422 4.233 1.00 0.00 C ATOM 496 C LEU A 35 -2.226 -3.580 5.468 1.00 0.00 C ATOM 497 O LEU A 35 -3.004 -4.510 5.567 1.00 0.00 O ATOM 498 CB LEU A 35 -2.206 -3.121 3.008 1.00 0.00 C ATOM 499 CG LEU A 35 -2.774 -1.702 3.115 1.00 0.00 C ATOM 500 CD1 LEU A 35 -2.796 -1.052 1.729 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.199 -1.762 3.670 1.00 0.00 C ATOM 0 H LEU A 35 -1.154 -5.486 3.727 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.638 -2.600 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.615 -3.219 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.019 -3.844 2.940 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.147 -1.112 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.200 -0.043 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.782 -1.007 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.422 -1.643 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.603 -0.752 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.825 -2.354 3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.186 -2.223 4.658 1.00 0.00 H new ATOM 513 N GLU A 36 -2.110 -2.681 6.413 1.00 0.00 N ATOM 514 CA GLU A 36 -2.941 -2.774 7.650 1.00 0.00 C ATOM 515 C GLU A 36 -4.074 -1.748 7.588 1.00 0.00 C ATOM 516 O GLU A 36 -3.843 -0.554 7.636 1.00 0.00 O ATOM 517 CB GLU A 36 -2.066 -2.493 8.874 1.00 0.00 C ATOM 518 CG GLU A 36 -2.865 -2.775 10.148 1.00 0.00 C ATOM 519 CD GLU A 36 -3.636 -1.518 10.556 1.00 0.00 C ATOM 520 OE1 GLU A 36 -3.032 -0.648 11.161 1.00 0.00 O ATOM 521 OE2 GLU A 36 -4.816 -1.448 10.257 1.00 0.00 O ATOM 0 H GLU A 36 -1.473 -1.885 6.380 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.365 -3.775 7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.173 -3.117 8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.731 -1.456 8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.557 -3.601 9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.194 -3.079 10.951 1.00 0.00 H new ATOM 528 N TYR A 37 -5.295 -2.207 7.484 1.00 0.00 N ATOM 529 CA TYR A 37 -6.451 -1.265 7.420 1.00 0.00 C ATOM 530 C TYR A 37 -7.642 -1.848 8.187 1.00 0.00 C ATOM 531 O TYR A 37 -7.949 -3.020 8.079 1.00 0.00 O ATOM 532 CB TYR A 37 -6.852 -1.044 5.962 1.00 0.00 C ATOM 533 CG TYR A 37 -7.865 0.068 5.899 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.452 1.394 6.057 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.218 -0.226 5.698 1.00 0.00 C ATOM 536 CE1 TYR A 37 -8.390 2.428 6.013 1.00 0.00 C ATOM 537 CE2 TYR A 37 -10.159 0.808 5.651 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.745 2.136 5.809 1.00 0.00 C ATOM 539 OH TYR A 37 -10.674 3.156 5.766 1.00 0.00 O ATOM 0 H TYR A 37 -5.541 -3.196 7.441 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.160 -0.315 7.870 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.976 -0.791 5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.270 -1.959 5.543 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.407 1.619 6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.536 -1.251 5.579 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.071 3.452 6.136 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.203 0.582 5.493 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.566 2.780 5.616 1.00 0.00 H new ATOM 549 N ASN A 38 -8.319 -1.030 8.955 1.00 0.00 N ATOM 550 CA ASN A 38 -9.502 -1.513 9.733 1.00 0.00 C ATOM 551 C ASN A 38 -9.079 -2.634 10.688 1.00 0.00 C ATOM 552 O ASN A 38 -9.818 -3.572 10.919 1.00 0.00 O ATOM 553 CB ASN A 38 -10.567 -2.043 8.768 1.00 0.00 C ATOM 554 CG ASN A 38 -11.956 -1.829 9.372 1.00 0.00 C ATOM 555 OD1 ASN A 38 -12.684 -2.775 9.603 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.359 -0.616 9.639 1.00 0.00 N ATOM 0 H ASN A 38 -8.101 -0.041 9.077 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.910 -0.684 10.311 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.493 -1.529 7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.402 -3.103 8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.284 -0.463 10.041 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.749 0.178 9.446 1.00 0.00 H new ATOM 563 N GLY A 39 -7.897 -2.541 11.245 1.00 0.00 N ATOM 564 CA GLY A 39 -7.420 -3.599 12.187 1.00 0.00 C ATOM 565 C GLY A 39 -7.341 -4.936 11.458 1.00 0.00 C ATOM 566 O GLY A 39 -7.541 -5.986 12.039 1.00 0.00 O ATOM 0 H GLY A 39 -7.241 -1.776 11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.441 -3.332 12.584 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.098 -3.676 13.037 1.00 0.00 H new ATOM 570 N LYS A 40 -7.042 -4.900 10.188 1.00 0.00 N ATOM 571 CA LYS A 40 -6.934 -6.159 9.404 1.00 0.00 C ATOM 572 C LYS A 40 -5.575 -6.200 8.713 1.00 0.00 C ATOM 573 O LYS A 40 -5.058 -5.189 8.281 1.00 0.00 O ATOM 574 CB LYS A 40 -8.038 -6.212 8.348 1.00 0.00 C ATOM 575 CG LYS A 40 -9.406 -6.219 9.034 1.00 0.00 C ATOM 576 CD LYS A 40 -10.482 -6.605 8.018 1.00 0.00 C ATOM 577 CE LYS A 40 -10.656 -8.125 8.011 1.00 0.00 C ATOM 578 NZ LYS A 40 -11.066 -8.572 6.649 1.00 0.00 N ATOM 0 H LYS A 40 -6.867 -4.046 9.658 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.039 -7.012 10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.959 -5.353 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.924 -7.105 7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.405 -6.925 9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.621 -5.235 9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.426 -6.122 8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.201 -6.256 7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.723 -8.610 8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.408 -8.419 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.184 -9.605 6.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.966 -8.119 6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.334 -8.304 5.961 1.00 0.00 H new ATOM 592 N THR A 41 -4.998 -7.362 8.607 1.00 0.00 N ATOM 593 CA THR A 41 -3.668 -7.482 7.942 1.00 0.00 C ATOM 594 C THR A 41 -3.806 -8.338 6.682 1.00 0.00 C ATOM 595 O THR A 41 -3.859 -9.552 6.750 1.00 0.00 O ATOM 596 CB THR A 41 -2.673 -8.139 8.902 1.00 0.00 C ATOM 597 OG1 THR A 41 -2.790 -7.540 10.185 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.250 -7.948 8.375 1.00 0.00 C ATOM 0 H THR A 41 -5.389 -8.238 8.953 1.00 0.00 H new ATOM 0 HA THR A 41 -3.306 -6.491 7.670 1.00 0.00 H new ATOM 0 HB THR A 41 -2.889 -9.205 8.977 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.155 -7.961 10.802 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.543 -8.416 9.059 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.162 -8.408 7.391 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.030 -6.883 8.299 1.00 0.00 H new ATOM 606 N VAL A 42 -3.866 -7.713 5.534 1.00 0.00 N ATOM 607 CA VAL A 42 -4.002 -8.482 4.263 1.00 0.00 C ATOM 608 C VAL A 42 -2.729 -8.325 3.430 1.00 0.00 C ATOM 609 O VAL A 42 -1.753 -7.753 3.876 1.00 0.00 O ATOM 610 CB VAL A 42 -5.199 -7.951 3.471 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.489 -8.242 4.239 1.00 0.00 C ATOM 612 CG2 VAL A 42 -5.054 -6.439 3.279 1.00 0.00 C ATOM 0 H VAL A 42 -3.826 -6.700 5.423 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.156 -9.536 4.493 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.235 -8.441 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.342 -7.864 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.595 -9.318 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.452 -7.752 5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.906 -6.060 2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.017 -5.950 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.135 -6.228 2.732 1.00 0.00 H new ATOM 622 N ASN A 43 -2.735 -8.830 2.222 1.00 0.00 N ATOM 623 CA ASN A 43 -1.530 -8.716 1.350 1.00 0.00 C ATOM 624 C ASN A 43 -1.646 -7.460 0.484 1.00 0.00 C ATOM 625 O ASN A 43 -2.595 -7.294 -0.259 1.00 0.00 O ATOM 626 CB ASN A 43 -1.432 -9.949 0.450 1.00 0.00 C ATOM 627 CG ASN A 43 0.020 -10.145 0.010 1.00 0.00 C ATOM 628 OD1 ASN A 43 0.753 -9.189 -0.151 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.470 -11.353 -0.192 1.00 0.00 N ATOM 0 H ASN A 43 -3.526 -9.318 1.802 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.637 -8.649 1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.784 -10.831 0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.074 -9.828 -0.422 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.437 -11.495 -0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.145 -12.156 -0.057 1.00 0.00 H new ATOM 636 N LEU A 44 -0.684 -6.578 0.576 1.00 0.00 N ATOM 637 CA LEU A 44 -0.723 -5.326 -0.237 1.00 0.00 C ATOM 638 C LEU A 44 -0.731 -5.669 -1.733 1.00 0.00 C ATOM 639 O LEU A 44 -1.132 -4.865 -2.554 1.00 0.00 O ATOM 640 CB LEU A 44 0.508 -4.475 0.083 1.00 0.00 C ATOM 641 CG LEU A 44 0.260 -3.026 -0.351 1.00 0.00 C ATOM 642 CD1 LEU A 44 0.877 -2.071 0.672 1.00 0.00 C ATOM 643 CD2 LEU A 44 0.903 -2.785 -1.720 1.00 0.00 C ATOM 0 H LEU A 44 0.131 -6.672 1.182 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.629 -4.771 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.721 -4.514 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.382 -4.874 -0.431 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.813 -2.848 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.700 -1.041 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.422 -2.239 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.950 -2.251 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.727 -1.755 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.976 -2.966 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.465 -3.463 -2.452 1.00 0.00 H new ATOM 655 N LYS A 45 -0.291 -6.851 -2.094 1.00 0.00 N ATOM 656 CA LYS A 45 -0.271 -7.240 -3.535 1.00 0.00 C ATOM 657 C LYS A 45 -1.543 -8.021 -3.884 1.00 0.00 C ATOM 658 O LYS A 45 -1.510 -8.955 -4.664 1.00 0.00 O ATOM 659 CB LYS A 45 0.955 -8.119 -3.805 1.00 0.00 C ATOM 660 CG LYS A 45 2.237 -7.354 -3.441 1.00 0.00 C ATOM 661 CD LYS A 45 3.098 -8.201 -2.497 1.00 0.00 C ATOM 662 CE LYS A 45 3.901 -9.218 -3.310 1.00 0.00 C ATOM 663 NZ LYS A 45 4.812 -9.970 -2.402 1.00 0.00 N ATOM 0 H LYS A 45 0.055 -7.562 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.224 -6.341 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.891 -9.037 -3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.981 -8.410 -4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.798 -7.116 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.983 -6.407 -2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.772 -7.560 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.465 -8.716 -1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.227 -9.907 -3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.478 -8.709 -4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.359 -10.662 -2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.463 -9.306 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.251 -10.467 -1.681 1.00 0.00 H new ATOM 677 N SER A 46 -2.663 -7.646 -3.316 1.00 0.00 N ATOM 678 CA SER A 46 -3.937 -8.363 -3.614 1.00 0.00 C ATOM 679 C SER A 46 -4.956 -7.378 -4.188 1.00 0.00 C ATOM 680 O SER A 46 -5.201 -6.328 -3.625 1.00 0.00 O ATOM 681 CB SER A 46 -4.492 -8.968 -2.326 1.00 0.00 C ATOM 682 OG SER A 46 -5.250 -10.129 -2.641 1.00 0.00 O ATOM 0 H SER A 46 -2.748 -6.872 -2.657 1.00 0.00 H new ATOM 0 HA SER A 46 -3.746 -9.154 -4.339 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.676 -9.225 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.118 -8.240 -1.809 1.00 0.00 H new ATOM 0 HG SER A 46 -5.606 -10.521 -1.816 1.00 0.00 H new ATOM 688 N ILE A 47 -5.552 -7.715 -5.302 1.00 0.00 N ATOM 689 CA ILE A 47 -6.564 -6.810 -5.920 1.00 0.00 C ATOM 690 C ILE A 47 -7.959 -7.247 -5.475 1.00 0.00 C ATOM 691 O ILE A 47 -8.826 -6.431 -5.223 1.00 0.00 O ATOM 692 CB ILE A 47 -6.468 -6.898 -7.446 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.030 -6.604 -7.890 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.415 -5.874 -8.077 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.661 -7.520 -9.059 1.00 0.00 C ATOM 0 H ILE A 47 -5.380 -8.582 -5.812 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.378 -5.783 -5.606 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.748 -7.901 -7.768 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.936 -5.560 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.342 -6.761 -7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.347 -5.936 -9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.438 -6.084 -7.765 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.135 -4.872 -7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.639 -7.312 -9.376 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.739 -8.561 -8.744 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.342 -7.341 -9.891 1.00 0.00 H new ATOM 707 N MET A 48 -8.175 -8.533 -5.374 1.00 0.00 N ATOM 708 CA MET A 48 -9.509 -9.044 -4.942 1.00 0.00 C ATOM 709 C MET A 48 -9.569 -9.133 -3.410 1.00 0.00 C ATOM 710 O MET A 48 -10.634 -9.269 -2.838 1.00 0.00 O ATOM 711 CB MET A 48 -9.741 -10.433 -5.540 1.00 0.00 C ATOM 712 CG MET A 48 -11.216 -10.812 -5.391 1.00 0.00 C ATOM 713 SD MET A 48 -11.618 -12.145 -6.547 1.00 0.00 S ATOM 714 CE MET A 48 -13.419 -11.997 -6.448 1.00 0.00 C ATOM 0 H MET A 48 -7.481 -9.254 -5.573 1.00 0.00 H new ATOM 0 HA MET A 48 -10.282 -8.359 -5.291 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.457 -10.440 -6.592 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.113 -11.167 -5.036 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.419 -11.130 -4.368 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.847 -9.945 -5.586 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.881 -12.741 -7.097 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.742 -12.161 -5.420 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.720 -10.999 -6.768 1.00 0.00 H new ATOM 724 N GLY A 49 -8.441 -9.061 -2.741 1.00 0.00 N ATOM 725 CA GLY A 49 -8.442 -9.142 -1.252 1.00 0.00 C ATOM 726 C GLY A 49 -8.643 -7.745 -0.656 1.00 0.00 C ATOM 727 O GLY A 49 -9.155 -7.598 0.438 1.00 0.00 O ATOM 0 H GLY A 49 -7.521 -8.949 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.236 -9.809 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.501 -9.565 -0.901 1.00 0.00 H new ATOM 731 N VAL A 50 -8.240 -6.721 -1.367 1.00 0.00 N ATOM 732 CA VAL A 50 -8.400 -5.331 -0.846 1.00 0.00 C ATOM 733 C VAL A 50 -9.870 -4.894 -0.959 1.00 0.00 C ATOM 734 O VAL A 50 -10.318 -4.020 -0.240 1.00 0.00 O ATOM 735 CB VAL A 50 -7.494 -4.381 -1.650 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.875 -4.416 -3.133 1.00 0.00 C ATOM 737 CG2 VAL A 50 -7.639 -2.950 -1.120 1.00 0.00 C ATOM 0 H VAL A 50 -7.806 -6.790 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.111 -5.298 0.204 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.460 -4.707 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.227 -3.740 -3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.757 -5.430 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.913 -4.103 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.995 -2.283 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.676 -2.628 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.349 -2.920 -0.070 1.00 0.00 H new ATOM 747 N VAL A 51 -10.618 -5.490 -1.856 1.00 0.00 N ATOM 748 CA VAL A 51 -12.052 -5.106 -2.017 1.00 0.00 C ATOM 749 C VAL A 51 -12.838 -5.497 -0.757 1.00 0.00 C ATOM 750 O VAL A 51 -13.832 -4.881 -0.423 1.00 0.00 O ATOM 751 CB VAL A 51 -12.633 -5.816 -3.252 1.00 0.00 C ATOM 752 CG1 VAL A 51 -12.589 -7.339 -3.061 1.00 0.00 C ATOM 753 CG2 VAL A 51 -14.082 -5.365 -3.473 1.00 0.00 C ATOM 0 H VAL A 51 -10.295 -6.227 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.130 -4.028 -2.156 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.034 -5.553 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.003 -7.828 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.556 -7.658 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.176 -7.613 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.491 -5.870 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -14.679 -5.617 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -14.107 -4.287 -3.631 1.00 0.00 H new ATOM 763 N SER A 52 -12.398 -6.517 -0.062 1.00 0.00 N ATOM 764 CA SER A 52 -13.116 -6.953 1.173 1.00 0.00 C ATOM 765 C SER A 52 -13.063 -5.835 2.217 1.00 0.00 C ATOM 766 O SER A 52 -13.996 -5.636 2.973 1.00 0.00 O ATOM 767 CB SER A 52 -12.447 -8.208 1.735 1.00 0.00 C ATOM 768 OG SER A 52 -11.150 -7.875 2.214 1.00 0.00 O ATOM 0 H SER A 52 -11.572 -7.066 -0.298 1.00 0.00 H new ATOM 0 HA SER A 52 -14.156 -7.173 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.049 -8.625 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.376 -8.973 0.962 1.00 0.00 H new ATOM 0 HG SER A 52 -10.556 -7.700 1.455 1.00 0.00 H new ATOM 774 N LEU A 53 -11.977 -5.107 2.262 1.00 0.00 N ATOM 775 CA LEU A 53 -11.849 -4.000 3.253 1.00 0.00 C ATOM 776 C LEU A 53 -12.769 -2.844 2.855 1.00 0.00 C ATOM 777 O LEU A 53 -13.578 -2.386 3.641 1.00 0.00 O ATOM 778 CB LEU A 53 -10.399 -3.510 3.281 1.00 0.00 C ATOM 779 CG LEU A 53 -9.491 -4.615 3.846 1.00 0.00 C ATOM 780 CD1 LEU A 53 -8.688 -5.256 2.711 1.00 0.00 C ATOM 781 CD2 LEU A 53 -8.522 -4.014 4.869 1.00 0.00 C ATOM 0 H LEU A 53 -11.170 -5.234 1.651 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.132 -4.363 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.077 -3.239 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.320 -2.612 3.894 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.110 -5.372 4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.046 -6.038 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.372 -5.689 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.074 -4.497 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.880 -4.800 5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.908 -3.254 4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.087 -3.560 5.683 1.00 0.00 H new ATOM 793 N GLY A 54 -12.648 -2.369 1.641 1.00 0.00 N ATOM 794 CA GLY A 54 -13.509 -1.240 1.184 1.00 0.00 C ATOM 795 C GLY A 54 -12.945 0.079 1.716 1.00 0.00 C ATOM 796 O GLY A 54 -13.632 0.835 2.377 1.00 0.00 O ATOM 0 H GLY A 54 -11.987 -2.717 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.550 -1.217 0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.530 -1.381 1.539 1.00 0.00 H new ATOM 800 N ILE A 55 -11.699 0.358 1.428 1.00 0.00 N ATOM 801 CA ILE A 55 -11.079 1.623 1.906 1.00 0.00 C ATOM 802 C ILE A 55 -11.728 2.804 1.187 1.00 0.00 C ATOM 803 O ILE A 55 -12.052 2.732 0.016 1.00 0.00 O ATOM 804 CB ILE A 55 -9.577 1.609 1.610 1.00 0.00 C ATOM 805 CG1 ILE A 55 -8.943 0.354 2.217 1.00 0.00 C ATOM 806 CG2 ILE A 55 -8.923 2.849 2.221 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.489 0.242 1.753 1.00 0.00 C ATOM 0 H ILE A 55 -11.084 -0.242 0.879 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.231 1.717 2.981 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.425 1.608 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.986 0.402 3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.502 -0.532 1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.854 2.838 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.369 3.745 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.080 2.849 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.037 -0.651 2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.458 0.175 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.935 1.122 2.078 1.00 0.00 H new ATOM 819 N ALA A 56 -11.917 3.886 1.887 1.00 0.00 N ATOM 820 CA ALA A 56 -12.545 5.090 1.268 1.00 0.00 C ATOM 821 C ALA A 56 -11.625 6.299 1.451 1.00 0.00 C ATOM 822 O ALA A 56 -10.554 6.193 2.017 1.00 0.00 O ATOM 823 CB ALA A 56 -13.891 5.366 1.942 1.00 0.00 C ATOM 0 H ALA A 56 -11.662 3.991 2.869 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.701 4.911 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.350 6.245 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.547 4.506 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.735 5.544 3.006 1.00 0.00 H new ATOM 829 N LYS A 57 -12.037 7.445 0.972 1.00 0.00 N ATOM 830 CA LYS A 57 -11.194 8.670 1.109 1.00 0.00 C ATOM 831 C LYS A 57 -11.052 9.036 2.589 1.00 0.00 C ATOM 832 O LYS A 57 -11.883 8.684 3.405 1.00 0.00 O ATOM 833 CB LYS A 57 -11.853 9.829 0.353 1.00 0.00 C ATOM 834 CG LYS A 57 -13.277 10.049 0.877 1.00 0.00 C ATOM 835 CD LYS A 57 -14.208 10.393 -0.288 1.00 0.00 C ATOM 836 CE LYS A 57 -15.629 10.600 0.238 1.00 0.00 C ATOM 837 NZ LYS A 57 -16.393 11.453 -0.715 1.00 0.00 N ATOM 0 H LYS A 57 -12.925 7.585 0.490 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.206 8.478 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.265 10.738 0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.878 9.611 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.631 9.152 1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.284 10.855 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.860 11.295 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.195 9.591 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.126 9.638 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.599 11.071 1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.359 11.594 -0.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.921 12.375 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.432 10.987 -1.644 1.00 0.00 H new ATOM 851 N GLY A 58 -10.004 9.739 2.936 1.00 0.00 N ATOM 852 CA GLY A 58 -9.798 10.134 4.360 1.00 0.00 C ATOM 853 C GLY A 58 -9.607 8.879 5.212 1.00 0.00 C ATOM 854 O GLY A 58 -10.285 8.683 6.203 1.00 0.00 O ATOM 0 H GLY A 58 -9.280 10.057 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.926 10.782 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.655 10.704 4.719 1.00 0.00 H new ATOM 858 N ALA A 59 -8.691 8.028 4.827 1.00 0.00 N ATOM 859 CA ALA A 59 -8.451 6.777 5.605 1.00 0.00 C ATOM 860 C ALA A 59 -6.990 6.721 6.060 1.00 0.00 C ATOM 861 O ALA A 59 -6.192 7.574 5.721 1.00 0.00 O ATOM 862 CB ALA A 59 -8.762 5.567 4.722 1.00 0.00 C ATOM 0 H ALA A 59 -8.098 8.146 4.006 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.097 6.765 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.588 4.651 5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.804 5.606 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.115 5.581 3.845 1.00 0.00 H new ATOM 868 N GLU A 60 -6.640 5.719 6.826 1.00 0.00 N ATOM 869 CA GLU A 60 -5.235 5.591 7.311 1.00 0.00 C ATOM 870 C GLU A 60 -4.768 4.144 7.131 1.00 0.00 C ATOM 871 O GLU A 60 -5.465 3.211 7.484 1.00 0.00 O ATOM 872 CB GLU A 60 -5.168 5.968 8.793 1.00 0.00 C ATOM 873 CG GLU A 60 -5.650 7.407 8.978 1.00 0.00 C ATOM 874 CD GLU A 60 -5.577 7.785 10.458 1.00 0.00 C ATOM 875 OE1 GLU A 60 -4.475 7.857 10.977 1.00 0.00 O ATOM 876 OE2 GLU A 60 -6.624 7.997 11.048 1.00 0.00 O ATOM 0 H GLU A 60 -7.272 4.981 7.137 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.590 6.258 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.786 5.288 9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.146 5.866 9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.035 8.086 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.673 7.508 8.616 1.00 0.00 H new ATOM 883 N ILE A 61 -3.596 3.954 6.580 1.00 0.00 N ATOM 884 CA ILE A 61 -3.077 2.570 6.368 1.00 0.00 C ATOM 885 C ILE A 61 -1.634 2.481 6.871 1.00 0.00 C ATOM 886 O ILE A 61 -0.931 3.472 6.942 1.00 0.00 O ATOM 887 CB ILE A 61 -3.119 2.233 4.876 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.398 3.328 4.084 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.574 2.146 4.412 1.00 0.00 C ATOM 890 CD1 ILE A 61 -1.833 2.736 2.792 1.00 0.00 C ATOM 0 H ILE A 61 -2.975 4.700 6.267 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.697 1.862 6.919 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.625 1.276 4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.089 4.139 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.594 3.755 4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.603 1.906 3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.089 1.367 4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.068 3.103 4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.320 3.515 2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.129 1.940 3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.647 2.330 2.191 1.00 0.00 H new ATOM 902 N THR A 62 -1.190 1.299 7.218 1.00 0.00 N ATOM 903 CA THR A 62 0.208 1.134 7.717 1.00 0.00 C ATOM 904 C THR A 62 0.899 0.015 6.934 1.00 0.00 C ATOM 905 O THR A 62 0.494 -1.131 6.984 1.00 0.00 O ATOM 906 CB THR A 62 0.180 0.775 9.205 1.00 0.00 C ATOM 907 OG1 THR A 62 -0.912 1.437 9.829 1.00 0.00 O ATOM 908 CG2 THR A 62 1.489 1.216 9.862 1.00 0.00 C ATOM 0 H THR A 62 -1.738 0.439 7.177 1.00 0.00 H new ATOM 0 HA THR A 62 0.756 2.066 7.579 1.00 0.00 H new ATOM 0 HB THR A 62 0.065 -0.303 9.318 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.530 0.772 10.198 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.469 0.960 10.921 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.326 0.709 9.382 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.607 2.294 9.751 1.00 0.00 H new ATOM 916 N ILE A 63 1.939 0.343 6.211 1.00 0.00 N ATOM 917 CA ILE A 63 2.663 -0.692 5.416 1.00 0.00 C ATOM 918 C ILE A 63 3.812 -1.267 6.252 1.00 0.00 C ATOM 919 O ILE A 63 4.435 -0.569 7.026 1.00 0.00 O ATOM 920 CB ILE A 63 3.218 -0.046 4.141 1.00 0.00 C ATOM 921 CG1 ILE A 63 2.058 0.538 3.330 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.951 -1.094 3.298 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.596 1.574 2.342 1.00 0.00 C ATOM 0 H ILE A 63 2.319 1.287 6.137 1.00 0.00 H new ATOM 0 HA ILE A 63 1.980 -1.498 5.147 1.00 0.00 H new ATOM 0 HB ILE A 63 3.918 0.744 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.539 -0.257 2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.330 1.000 3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.342 -0.626 2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.775 -1.513 3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.258 -1.890 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.770 1.990 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.095 2.374 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.307 1.098 1.667 1.00 0.00 H new ATOM 935 N SER A 64 4.091 -2.536 6.094 1.00 0.00 N ATOM 936 CA SER A 64 5.198 -3.168 6.872 1.00 0.00 C ATOM 937 C SER A 64 6.023 -4.067 5.948 1.00 0.00 C ATOM 938 O SER A 64 5.516 -5.014 5.376 1.00 0.00 O ATOM 939 CB SER A 64 4.610 -4.007 8.007 1.00 0.00 C ATOM 940 OG SER A 64 3.376 -4.571 7.583 1.00 0.00 O ATOM 0 H SER A 64 3.598 -3.163 5.458 1.00 0.00 H new ATOM 0 HA SER A 64 5.838 -2.390 7.289 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.306 -4.797 8.289 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.456 -3.387 8.890 1.00 0.00 H new ATOM 0 HG SER A 64 2.997 -5.111 8.308 1.00 0.00 H new ATOM 946 N ALA A 65 7.291 -3.775 5.799 1.00 0.00 N ATOM 947 CA ALA A 65 8.159 -4.606 4.912 1.00 0.00 C ATOM 948 C ALA A 65 9.005 -5.556 5.764 1.00 0.00 C ATOM 949 O ALA A 65 9.687 -5.139 6.681 1.00 0.00 O ATOM 950 CB ALA A 65 9.083 -3.692 4.103 1.00 0.00 C ATOM 0 H ALA A 65 7.763 -2.994 6.255 1.00 0.00 H new ATOM 0 HA ALA A 65 7.533 -5.186 4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.717 -4.297 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.483 -3.015 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.707 -3.112 4.783 1.00 0.00 H new ATOM 956 N SER A 66 8.966 -6.830 5.462 1.00 0.00 N ATOM 957 CA SER A 66 9.767 -7.815 6.246 1.00 0.00 C ATOM 958 C SER A 66 10.342 -8.872 5.299 1.00 0.00 C ATOM 959 O SER A 66 9.653 -9.784 4.882 1.00 0.00 O ATOM 960 CB SER A 66 8.870 -8.490 7.283 1.00 0.00 C ATOM 961 OG SER A 66 8.129 -7.498 7.980 1.00 0.00 O ATOM 0 H SER A 66 8.412 -7.229 4.704 1.00 0.00 H new ATOM 0 HA SER A 66 10.583 -7.300 6.753 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.192 -9.190 6.794 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.474 -9.067 7.983 1.00 0.00 H new ATOM 0 HG SER A 66 7.552 -7.928 8.645 1.00 0.00 H new ATOM 967 N GLY A 67 11.600 -8.751 4.960 1.00 0.00 N ATOM 968 CA GLY A 67 12.234 -9.742 4.040 1.00 0.00 C ATOM 969 C GLY A 67 13.702 -9.368 3.823 1.00 0.00 C ATOM 970 O GLY A 67 14.417 -9.067 4.760 1.00 0.00 O ATOM 0 H GLY A 67 12.217 -8.006 5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.161 -10.744 4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.707 -9.758 3.086 1.00 0.00 H new ATOM 974 N ALA A 68 14.153 -9.385 2.594 1.00 0.00 N ATOM 975 CA ALA A 68 15.575 -9.030 2.308 1.00 0.00 C ATOM 976 C ALA A 68 15.673 -7.536 1.988 1.00 0.00 C ATOM 977 O ALA A 68 16.362 -6.794 2.663 1.00 0.00 O ATOM 978 CB ALA A 68 16.074 -9.841 1.111 1.00 0.00 C ATOM 0 H ALA A 68 13.596 -9.630 1.775 1.00 0.00 H new ATOM 0 HA ALA A 68 16.188 -9.257 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.112 -9.581 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.005 -10.905 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.462 -9.616 0.238 1.00 0.00 H new ATOM 984 N ASP A 69 14.987 -7.094 0.965 1.00 0.00 N ATOM 985 CA ASP A 69 15.034 -5.647 0.594 1.00 0.00 C ATOM 986 C ASP A 69 13.834 -4.922 1.214 1.00 0.00 C ATOM 987 O ASP A 69 13.196 -4.102 0.580 1.00 0.00 O ATOM 988 CB ASP A 69 14.995 -5.502 -0.932 1.00 0.00 C ATOM 989 CG ASP A 69 13.824 -6.306 -1.508 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.827 -6.446 -0.819 1.00 0.00 O ATOM 991 OD2 ASP A 69 13.946 -6.769 -2.630 1.00 0.00 O ATOM 0 H ASP A 69 14.395 -7.674 0.370 1.00 0.00 H new ATOM 0 HA ASP A 69 15.957 -5.206 0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.893 -4.451 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.933 -5.852 -1.362 1.00 0.00 H new ATOM 996 N GLU A 70 13.525 -5.224 2.449 1.00 0.00 N ATOM 997 CA GLU A 70 12.368 -4.566 3.126 1.00 0.00 C ATOM 998 C GLU A 70 12.589 -3.050 3.185 1.00 0.00 C ATOM 999 O GLU A 70 11.670 -2.274 3.002 1.00 0.00 O ATOM 1000 CB GLU A 70 12.224 -5.122 4.548 1.00 0.00 C ATOM 1001 CG GLU A 70 13.517 -4.887 5.337 1.00 0.00 C ATOM 1002 CD GLU A 70 13.549 -5.813 6.555 1.00 0.00 C ATOM 1003 OE1 GLU A 70 13.827 -6.987 6.374 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.294 -5.332 7.646 1.00 0.00 O ATOM 0 H GLU A 70 14.028 -5.903 3.021 1.00 0.00 H new ATOM 0 HA GLU A 70 11.458 -4.771 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.387 -4.639 5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.001 -6.188 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.382 -5.075 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.576 -3.847 5.657 1.00 0.00 H new ATOM 1011 N ASN A 71 13.801 -2.627 3.442 1.00 0.00 N ATOM 1012 CA ASN A 71 14.089 -1.164 3.520 1.00 0.00 C ATOM 1013 C ASN A 71 13.824 -0.507 2.163 1.00 0.00 C ATOM 1014 O ASN A 71 13.366 0.616 2.090 1.00 0.00 O ATOM 1015 CB ASN A 71 15.553 -0.949 3.908 1.00 0.00 C ATOM 1016 CG ASN A 71 15.672 -0.865 5.430 1.00 0.00 C ATOM 1017 OD1 ASN A 71 15.765 -1.873 6.101 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.673 0.306 6.006 1.00 0.00 N ATOM 0 H ASN A 71 14.605 -3.234 3.601 1.00 0.00 H new ATOM 0 HA ASN A 71 13.440 -0.714 4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.164 -1.768 3.530 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.930 -0.033 3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.752 0.375 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.595 1.152 5.442 1.00 0.00 H new ATOM 1025 N ASP A 72 14.118 -1.196 1.090 1.00 0.00 N ATOM 1026 CA ASP A 72 13.898 -0.611 -0.267 1.00 0.00 C ATOM 1027 C ASP A 72 12.411 -0.667 -0.639 1.00 0.00 C ATOM 1028 O ASP A 72 11.948 0.089 -1.473 1.00 0.00 O ATOM 1029 CB ASP A 72 14.710 -1.400 -1.298 1.00 0.00 C ATOM 1030 CG ASP A 72 16.170 -1.482 -0.848 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.785 -0.438 -0.703 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.649 -2.587 -0.655 1.00 0.00 O ATOM 0 H ASP A 72 14.502 -2.141 1.095 1.00 0.00 H new ATOM 0 HA ASP A 72 14.220 0.430 -0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.297 -2.402 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.646 -0.917 -2.273 1.00 0.00 H new ATOM 1037 N ALA A 73 11.664 -1.561 -0.041 1.00 0.00 N ATOM 1038 CA ALA A 73 10.211 -1.675 -0.372 1.00 0.00 C ATOM 1039 C ALA A 73 9.412 -0.558 0.312 1.00 0.00 C ATOM 1040 O ALA A 73 8.465 -0.039 -0.249 1.00 0.00 O ATOM 1041 CB ALA A 73 9.690 -3.032 0.105 1.00 0.00 C ATOM 0 H ALA A 73 11.999 -2.218 0.664 1.00 0.00 H new ATOM 0 HA ALA A 73 10.089 -1.584 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.630 -3.119 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.242 -3.829 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.826 -3.116 1.183 1.00 0.00 H new ATOM 1047 N LEU A 74 9.768 -0.198 1.522 1.00 0.00 N ATOM 1048 CA LEU A 74 9.005 0.870 2.240 1.00 0.00 C ATOM 1049 C LEU A 74 9.340 2.255 1.671 1.00 0.00 C ATOM 1050 O LEU A 74 8.473 3.105 1.561 1.00 0.00 O ATOM 1051 CB LEU A 74 9.330 0.831 3.740 1.00 0.00 C ATOM 1052 CG LEU A 74 10.831 1.042 3.966 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.104 2.517 4.288 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.293 0.169 5.138 1.00 0.00 C ATOM 0 H LEU A 74 10.551 -0.596 2.041 1.00 0.00 H new ATOM 0 HA LEU A 74 7.940 0.685 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.765 1.604 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.023 -0.127 4.160 1.00 0.00 H new ATOM 0 HG LEU A 74 11.376 0.765 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.172 2.663 4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.774 3.138 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.560 2.799 5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.360 0.316 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.745 0.449 6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.102 -0.879 4.908 1.00 0.00 H new ATOM 1066 N ASN A 75 10.578 2.498 1.309 1.00 0.00 N ATOM 1067 CA ASN A 75 10.937 3.840 0.753 1.00 0.00 C ATOM 1068 C ASN A 75 10.575 3.904 -0.732 1.00 0.00 C ATOM 1069 O ASN A 75 10.319 4.965 -1.267 1.00 0.00 O ATOM 1070 CB ASN A 75 12.434 4.117 0.934 1.00 0.00 C ATOM 1071 CG ASN A 75 13.272 2.925 0.466 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.876 2.194 -0.418 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.431 2.707 1.027 1.00 0.00 N ATOM 0 H ASN A 75 11.348 1.832 1.374 1.00 0.00 H new ATOM 0 HA ASN A 75 10.374 4.600 1.295 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.714 5.007 0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.645 4.325 1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.005 1.921 0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.762 3.323 1.770 1.00 0.00 H new ATOM 1080 N ALA A 76 10.543 2.778 -1.395 1.00 0.00 N ATOM 1081 CA ALA A 76 10.187 2.767 -2.844 1.00 0.00 C ATOM 1082 C ALA A 76 8.671 2.926 -2.996 1.00 0.00 C ATOM 1083 O ALA A 76 8.190 3.433 -3.993 1.00 0.00 O ATOM 1084 CB ALA A 76 10.629 1.442 -3.467 1.00 0.00 C ATOM 0 H ALA A 76 10.749 1.863 -0.994 1.00 0.00 H new ATOM 0 HA ALA A 76 10.691 3.590 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.369 1.433 -4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.708 1.330 -3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.125 0.617 -2.963 1.00 0.00 H new ATOM 1090 N LEU A 77 7.918 2.507 -2.009 1.00 0.00 N ATOM 1091 CA LEU A 77 6.434 2.639 -2.082 1.00 0.00 C ATOM 1092 C LEU A 77 6.033 4.052 -1.654 1.00 0.00 C ATOM 1093 O LEU A 77 5.002 4.559 -2.051 1.00 0.00 O ATOM 1094 CB LEU A 77 5.780 1.617 -1.150 1.00 0.00 C ATOM 1095 CG LEU A 77 5.793 0.238 -1.811 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.494 -0.834 -0.762 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.725 0.187 -2.907 1.00 0.00 C ATOM 0 H LEU A 77 8.271 2.078 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 77 6.101 2.457 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.314 1.581 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.755 1.915 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 77 6.774 0.056 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.503 -1.817 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.252 -0.799 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.513 -0.651 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.734 -0.796 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.744 0.370 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.935 0.951 -3.656 1.00 0.00 H new ATOM 1109 N GLU A 78 6.844 4.689 -0.845 1.00 0.00 N ATOM 1110 CA GLU A 78 6.525 6.070 -0.387 1.00 0.00 C ATOM 1111 C GLU A 78 6.700 7.044 -1.560 1.00 0.00 C ATOM 1112 O GLU A 78 5.909 7.951 -1.745 1.00 0.00 O ATOM 1113 CB GLU A 78 7.480 6.442 0.756 1.00 0.00 C ATOM 1114 CG GLU A 78 7.201 7.873 1.241 1.00 0.00 C ATOM 1115 CD GLU A 78 8.337 8.801 0.802 1.00 0.00 C ATOM 1116 OE1 GLU A 78 8.351 9.180 -0.358 1.00 0.00 O ATOM 1117 OE2 GLU A 78 9.173 9.116 1.633 1.00 0.00 O ATOM 0 H GLU A 78 7.717 4.306 -0.482 1.00 0.00 H new ATOM 0 HA GLU A 78 5.496 6.124 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.360 5.741 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.513 6.361 0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.253 8.226 0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.107 7.887 2.327 1.00 0.00 H new ATOM 1124 N GLU A 79 7.730 6.862 -2.349 1.00 0.00 N ATOM 1125 CA GLU A 79 7.961 7.774 -3.509 1.00 0.00 C ATOM 1126 C GLU A 79 6.961 7.456 -4.626 1.00 0.00 C ATOM 1127 O GLU A 79 6.595 8.317 -5.403 1.00 0.00 O ATOM 1128 CB GLU A 79 9.391 7.594 -4.033 1.00 0.00 C ATOM 1129 CG GLU A 79 9.670 6.110 -4.291 1.00 0.00 C ATOM 1130 CD GLU A 79 10.752 5.974 -5.364 1.00 0.00 C ATOM 1131 OE1 GLU A 79 11.910 6.181 -5.039 1.00 0.00 O ATOM 1132 OE2 GLU A 79 10.405 5.664 -6.492 1.00 0.00 O ATOM 0 H GLU A 79 8.421 6.120 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 79 7.823 8.806 -3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.525 8.163 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.105 7.986 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.993 5.624 -3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.758 5.608 -4.613 1.00 0.00 H new ATOM 1139 N THR A 80 6.520 6.226 -4.710 1.00 0.00 N ATOM 1140 CA THR A 80 5.544 5.845 -5.775 1.00 0.00 C ATOM 1141 C THR A 80 4.139 6.310 -5.383 1.00 0.00 C ATOM 1142 O THR A 80 3.299 6.554 -6.229 1.00 0.00 O ATOM 1143 CB THR A 80 5.546 4.324 -5.942 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.884 3.866 -6.080 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.742 3.943 -7.186 1.00 0.00 C ATOM 0 H THR A 80 6.795 5.468 -4.085 1.00 0.00 H new ATOM 0 HA THR A 80 5.831 6.320 -6.713 1.00 0.00 H new ATOM 0 HB THR A 80 5.092 3.862 -5.065 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.145 3.371 -5.275 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.745 2.859 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.716 4.294 -7.077 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.192 4.404 -8.065 1.00 0.00 H new ATOM 1153 N MET A 81 3.878 6.429 -4.106 1.00 0.00 N ATOM 1154 CA MET A 81 2.530 6.873 -3.647 1.00 0.00 C ATOM 1155 C MET A 81 2.339 8.354 -3.976 1.00 0.00 C ATOM 1156 O MET A 81 1.299 8.761 -4.458 1.00 0.00 O ATOM 1157 CB MET A 81 2.417 6.667 -2.135 1.00 0.00 C ATOM 1158 CG MET A 81 2.077 5.203 -1.840 1.00 0.00 C ATOM 1159 SD MET A 81 0.283 5.010 -1.691 1.00 0.00 S ATOM 1160 CE MET A 81 0.172 5.290 0.094 1.00 0.00 C ATOM 0 H MET A 81 4.545 6.236 -3.359 1.00 0.00 H new ATOM 0 HA MET A 81 1.762 6.289 -4.154 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.355 6.938 -1.650 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.646 7.320 -1.725 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.456 4.564 -2.638 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.564 4.885 -0.918 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.869 5.216 0.410 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.765 4.540 0.618 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.553 6.283 0.331 1.00 0.00 H new ATOM 1170 N LYS A 82 3.335 9.161 -3.717 1.00 0.00 N ATOM 1171 CA LYS A 82 3.220 10.620 -4.008 1.00 0.00 C ATOM 1172 C LYS A 82 3.366 10.878 -5.515 1.00 0.00 C ATOM 1173 O LYS A 82 3.035 11.945 -5.996 1.00 0.00 O ATOM 1174 CB LYS A 82 4.317 11.376 -3.257 1.00 0.00 C ATOM 1175 CG LYS A 82 4.257 11.021 -1.769 1.00 0.00 C ATOM 1176 CD LYS A 82 5.308 11.831 -1.006 1.00 0.00 C ATOM 1177 CE LYS A 82 5.878 10.986 0.135 1.00 0.00 C ATOM 1178 NZ LYS A 82 4.954 11.040 1.303 1.00 0.00 N ATOM 0 H LYS A 82 4.226 8.870 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 82 2.240 10.968 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.295 11.118 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.190 12.450 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.263 11.232 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.435 9.954 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.108 12.136 -1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.862 12.743 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.008 9.954 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.863 11.357 0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.500 10.937 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.456 11.953 1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.261 10.268 1.233 1.00 0.00 H new ATOM 1192 N SER A 83 3.860 9.918 -6.264 1.00 0.00 N ATOM 1193 CA SER A 83 4.028 10.119 -7.737 1.00 0.00 C ATOM 1194 C SER A 83 2.673 10.434 -8.379 1.00 0.00 C ATOM 1195 O SER A 83 2.551 11.356 -9.164 1.00 0.00 O ATOM 1196 CB SER A 83 4.601 8.846 -8.361 1.00 0.00 C ATOM 1197 OG SER A 83 3.604 7.833 -8.357 1.00 0.00 O ATOM 0 H SER A 83 4.153 9.005 -5.917 1.00 0.00 H new ATOM 0 HA SER A 83 4.709 10.952 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.931 9.044 -9.381 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.476 8.514 -7.801 1.00 0.00 H new ATOM 0 HG SER A 83 3.713 7.270 -7.563 1.00 0.00 H new ATOM 1203 N GLU A 84 1.658 9.674 -8.052 1.00 0.00 N ATOM 1204 CA GLU A 84 0.309 9.925 -8.641 1.00 0.00 C ATOM 1205 C GLU A 84 -0.524 10.770 -7.675 1.00 0.00 C ATOM 1206 O GLU A 84 -1.374 11.538 -8.085 1.00 0.00 O ATOM 1207 CB GLU A 84 -0.396 8.589 -8.889 1.00 0.00 C ATOM 1208 CG GLU A 84 0.312 7.839 -10.018 1.00 0.00 C ATOM 1209 CD GLU A 84 -0.052 6.355 -9.950 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -1.231 6.050 -10.021 1.00 0.00 O ATOM 1211 OE2 GLU A 84 0.855 5.548 -9.828 1.00 0.00 O ATOM 0 H GLU A 84 1.706 8.890 -7.402 1.00 0.00 H new ATOM 0 HA GLU A 84 0.420 10.459 -9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.390 7.988 -7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.440 8.760 -9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.020 8.252 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.391 7.964 -9.931 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.285 10.632 -6.395 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.057 11.422 -5.395 1.00 0.00 C ATOM 1220 C GLY A 85 -2.157 10.547 -4.790 1.00 0.00 C ATOM 1221 O GLY A 85 -3.332 10.829 -4.928 1.00 0.00 O ATOM 0 H GLY A 85 0.415 10.003 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.392 11.783 -4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.496 12.299 -5.870 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.780 9.486 -4.123 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.792 8.583 -3.504 1.00 0.00 C ATOM 1227 C LEU A 86 -2.746 8.735 -1.981 1.00 0.00 C ATOM 1228 O LEU A 86 -3.764 8.712 -1.316 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.479 7.133 -3.883 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.664 6.948 -5.390 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -2.045 5.617 -5.823 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -4.158 6.946 -5.722 1.00 0.00 C ATOM 0 H LEU A 86 -0.809 9.207 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.786 8.847 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.457 6.884 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.136 6.454 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.173 7.765 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.178 5.486 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.981 5.616 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.535 4.799 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.292 6.814 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.647 6.129 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.600 7.894 -5.415 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.569 8.892 -1.430 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.442 9.050 0.049 1.00 0.00 C ATOM 1246 C GLY A 87 -0.100 9.708 0.378 1.00 0.00 C ATOM 1247 O GLY A 87 0.768 9.819 -0.467 1.00 0.00 O ATOM 0 H GLY A 87 -0.688 8.918 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.261 9.658 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.512 8.078 0.537 1.00 0.00 H new ATOM 1251 N GLU A 88 0.074 10.145 1.600 1.00 0.00 N ATOM 1252 CA GLU A 88 1.358 10.798 1.993 1.00 0.00 C ATOM 1253 C GLU A 88 1.313 11.155 3.480 1.00 0.00 C ATOM 1254 O GLU A 88 0.313 11.708 3.907 1.00 0.00 O ATOM 1255 CB GLU A 88 1.559 12.075 1.168 1.00 0.00 C ATOM 1256 CG GLU A 88 0.307 12.962 1.261 1.00 0.00 C ATOM 1257 CD GLU A 88 0.663 14.299 1.918 1.00 0.00 C ATOM 1258 OE1 GLU A 88 1.615 14.386 2.668 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -0.068 15.350 1.666 1.00 0.00 O ATOM 1260 OXT GLU A 88 2.280 10.869 4.167 1.00 0.00 O ATOM 0 H GLU A 88 -0.621 10.077 2.344 1.00 0.00 H new ATOM 0 HA GLU A 88 2.185 10.112 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.429 12.620 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.757 11.818 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.102 13.134 0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.465 12.456 1.841 1.00 0.00 H new