USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A -2 SER OG : rot -149:sc= -0.0781 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0.112 USER MOD Set 2.2: A 53 ASN : amide:sc= 0.775 K(o=0.89,f=-3.3!) USER MOD Single : A 1 SER OG : rot 180:sc=-0.000236 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.279 K(o=0.28,f=-0.33) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -111:sc= 0.0783 (180deg=0) USER MOD Single : A 12 CYS SG : rot 83:sc= 0.273 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -175:sc= -0.348 (180deg=-0.435) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 15:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.637 K(o=0.64,f=-5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0889 X(o=-0.089,f=-0.17) USER MOD Single : A 32 GLN : amide:sc= 0.164 X(o=0.16,f=-0.049) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 170:sc= 0 (180deg=-0.0934) USER MOD Single : A 36 CYS SG : rot 30:sc= -0.212 USER MOD Single : A 44 ASN : amide:sc= -0.0567 K(o=-0.057,f=-0.61) USER MOD Single : A 45 TYR OH : rot -150:sc= 0.0851 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.0006) USER MOD Single : A 51 SER OG : rot 140:sc= 1.35 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.937 K(o=0.94,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.7!) USER MOD Single : A 68 TYR OH : rot 120:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 152:sc= 0.881 (180deg=0.376) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0418 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 17.346 -2.085 9.060 1.00 0.00 N ATOM 2 CA GLY A -3 15.875 -1.935 8.974 1.00 0.00 C ATOM 3 C GLY A -3 15.148 -3.233 9.299 1.00 0.00 C ATOM 4 O GLY A -3 15.772 -4.260 9.568 1.00 0.00 O ATOM 0 H1 GLY A -3 17.703 -1.546 9.875 1.00 0.00 H new ATOM 0 H2 GLY A -3 17.586 -3.090 9.178 1.00 0.00 H new ATOM 0 H3 GLY A -3 17.783 -1.724 8.188 1.00 0.00 H new ATOM 0 HA2 GLY A -3 15.549 -1.155 9.663 1.00 0.00 H new ATOM 0 HA3 GLY A -3 15.602 -1.608 7.971 1.00 0.00 H new ATOM 10 N SER A -2 13.814 -3.212 9.271 1.00 0.00 N ATOM 11 CA SER A -2 12.960 -4.357 9.656 1.00 0.00 C ATOM 12 C SER A -2 12.869 -5.474 8.591 1.00 0.00 C ATOM 13 O SER A -2 12.409 -6.577 8.890 1.00 0.00 O ATOM 14 CB SER A -2 11.539 -3.862 9.971 1.00 0.00 C ATOM 15 OG SER A -2 11.531 -2.742 10.852 1.00 0.00 O ATOM 0 H SER A -2 13.282 -2.393 8.978 1.00 0.00 H new ATOM 0 HA SER A -2 13.438 -4.796 10.532 1.00 0.00 H new ATOM 0 HB2 SER A -2 11.038 -3.592 9.041 1.00 0.00 H new ATOM 0 HB3 SER A -2 10.966 -4.675 10.417 1.00 0.00 H new ATOM 0 HG SER A -2 10.718 -2.761 11.398 1.00 0.00 H new ATOM 21 N SER A -1 13.325 -5.213 7.362 1.00 0.00 N ATOM 22 CA SER A -1 13.230 -6.112 6.198 1.00 0.00 C ATOM 23 C SER A -1 14.474 -5.986 5.298 1.00 0.00 C ATOM 24 O SER A -1 15.120 -4.932 5.258 1.00 0.00 O ATOM 25 CB SER A -1 11.972 -5.787 5.367 1.00 0.00 C ATOM 26 OG SER A -1 10.767 -5.984 6.099 1.00 0.00 O ATOM 0 H SER A -1 13.791 -4.334 7.137 1.00 0.00 H new ATOM 0 HA SER A -1 13.166 -7.133 6.575 1.00 0.00 H new ATOM 0 HB2 SER A -1 12.022 -4.752 5.028 1.00 0.00 H new ATOM 0 HB3 SER A -1 11.958 -6.414 4.475 1.00 0.00 H new ATOM 0 HG SER A -1 9.999 -5.764 5.531 1.00 0.00 H new ATOM 32 N GLY A 0 14.807 -7.048 4.549 1.00 0.00 N ATOM 33 CA GLY A 0 15.993 -7.107 3.676 1.00 0.00 C ATOM 34 C GLY A 0 15.847 -6.379 2.333 1.00 0.00 C ATOM 35 O GLY A 0 16.826 -6.244 1.602 1.00 0.00 O ATOM 0 H GLY A 0 14.252 -7.904 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 0 16.842 -6.682 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 0 16.230 -8.153 3.481 1.00 0.00 H new ATOM 39 N SER A 1 14.645 -5.901 2.007 1.00 0.00 N ATOM 40 CA SER A 1 14.299 -5.156 0.787 1.00 0.00 C ATOM 41 C SER A 1 12.918 -4.479 0.935 1.00 0.00 C ATOM 42 O SER A 1 12.223 -4.666 1.938 1.00 0.00 O ATOM 43 CB SER A 1 14.331 -6.094 -0.438 1.00 0.00 C ATOM 44 OG SER A 1 14.302 -5.357 -1.655 1.00 0.00 O ATOM 0 H SER A 1 13.839 -6.028 2.619 1.00 0.00 H new ATOM 0 HA SER A 1 15.040 -4.371 0.634 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.230 -6.709 -0.404 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.479 -6.773 -0.401 1.00 0.00 H new ATOM 0 HG SER A 1 14.325 -5.977 -2.414 1.00 0.00 H new ATOM 50 N SER A 2 12.497 -3.704 -0.065 1.00 0.00 N ATOM 51 CA SER A 2 11.189 -3.034 -0.140 1.00 0.00 C ATOM 52 C SER A 2 10.854 -2.688 -1.602 1.00 0.00 C ATOM 53 O SER A 2 11.677 -2.097 -2.312 1.00 0.00 O ATOM 54 CB SER A 2 11.175 -1.778 0.742 1.00 0.00 C ATOM 55 OG SER A 2 9.882 -1.186 0.755 1.00 0.00 O ATOM 0 H SER A 2 13.079 -3.515 -0.881 1.00 0.00 H new ATOM 0 HA SER A 2 10.424 -3.714 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.471 -2.038 1.758 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.906 -1.059 0.371 1.00 0.00 H new ATOM 0 HG SER A 2 9.893 -0.388 1.324 1.00 0.00 H new ATOM 61 N GLY A 3 9.662 -3.096 -2.062 1.00 0.00 N ATOM 62 CA GLY A 3 9.241 -3.035 -3.465 1.00 0.00 C ATOM 63 C GLY A 3 8.213 -1.943 -3.725 1.00 0.00 C ATOM 64 O GLY A 3 8.554 -0.876 -4.223 1.00 0.00 O ATOM 0 H GLY A 3 8.946 -3.488 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.114 -2.863 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.823 -3.998 -3.756 1.00 0.00 H new ATOM 68 N ILE A 4 6.941 -2.207 -3.421 1.00 0.00 N ATOM 69 CA ILE A 4 5.817 -1.331 -3.818 1.00 0.00 C ATOM 70 C ILE A 4 5.705 -0.047 -2.980 1.00 0.00 C ATOM 71 O ILE A 4 5.441 1.026 -3.521 1.00 0.00 O ATOM 72 CB ILE A 4 4.509 -2.152 -3.864 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.326 -1.380 -4.481 1.00 0.00 C ATOM 74 CG2 ILE A 4 4.088 -2.671 -2.477 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.562 -0.933 -5.926 1.00 0.00 C ATOM 0 H ILE A 4 6.652 -3.031 -2.894 1.00 0.00 H new ATOM 0 HA ILE A 4 6.022 -0.961 -4.823 1.00 0.00 H new ATOM 0 HB ILE A 4 4.745 -2.998 -4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.437 -2.009 -4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.119 -0.502 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.163 -3.241 -2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.872 -3.313 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.930 -1.827 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.685 -0.397 -6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.431 -0.276 -5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.738 -1.807 -6.553 1.00 0.00 H new ATOM 87 N LYS A 5 5.996 -0.122 -1.679 1.00 0.00 N ATOM 88 CA LYS A 5 6.034 1.041 -0.777 1.00 0.00 C ATOM 89 C LYS A 5 7.192 1.985 -1.158 1.00 0.00 C ATOM 90 O LYS A 5 7.031 3.204 -1.230 1.00 0.00 O ATOM 91 CB LYS A 5 6.124 0.495 0.666 1.00 0.00 C ATOM 92 CG LYS A 5 5.494 1.377 1.757 1.00 0.00 C ATOM 93 CD LYS A 5 6.264 2.651 2.143 1.00 0.00 C ATOM 94 CE LYS A 5 7.644 2.340 2.740 1.00 0.00 C ATOM 95 NZ LYS A 5 8.316 3.569 3.240 1.00 0.00 N ATOM 0 H LYS A 5 6.215 -1.002 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 5 5.134 1.651 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.644 -0.483 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.175 0.342 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.497 1.669 1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.367 0.771 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.386 3.280 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.679 3.222 2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.535 1.627 3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.269 1.865 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.245 3.320 3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.443 4.239 2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.731 4.008 3.979 1.00 0.00 H new ATOM 109 N ASN A 6 8.340 1.395 -1.501 1.00 0.00 N ATOM 110 CA ASN A 6 9.510 2.075 -2.063 1.00 0.00 C ATOM 111 C ASN A 6 9.224 2.676 -3.455 1.00 0.00 C ATOM 112 O ASN A 6 9.686 3.775 -3.760 1.00 0.00 O ATOM 113 CB ASN A 6 10.634 1.030 -2.130 1.00 0.00 C ATOM 114 CG ASN A 6 12.020 1.564 -2.472 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.306 2.754 -2.420 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.926 0.668 -2.821 1.00 0.00 N ATOM 0 H ASN A 6 8.486 0.392 -1.391 1.00 0.00 H new ATOM 0 HA ASN A 6 9.792 2.919 -1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.689 0.522 -1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.362 0.279 -2.872 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.875 0.965 -3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.677 -0.320 -2.861 1.00 0.00 H new ATOM 123 N PHE A 7 8.419 2.001 -4.286 1.00 0.00 N ATOM 124 CA PHE A 7 8.089 2.443 -5.644 1.00 0.00 C ATOM 125 C PHE A 7 7.180 3.675 -5.644 1.00 0.00 C ATOM 126 O PHE A 7 7.437 4.599 -6.411 1.00 0.00 O ATOM 127 CB PHE A 7 7.463 1.287 -6.433 1.00 0.00 C ATOM 128 CG PHE A 7 7.020 1.652 -7.838 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.937 1.620 -8.907 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.687 2.037 -8.075 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.517 1.961 -10.206 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.272 2.386 -9.371 1.00 0.00 C ATOM 133 CZ PHE A 7 6.184 2.343 -10.439 1.00 0.00 C ATOM 0 H PHE A 7 7.973 1.120 -4.029 1.00 0.00 H new ATOM 0 HA PHE A 7 9.015 2.742 -6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.184 0.472 -6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.602 0.911 -5.880 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.963 1.334 -8.729 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.981 2.064 -7.258 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.220 1.929 -11.025 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.250 2.688 -9.547 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.862 2.603 -11.437 1.00 0.00 H new ATOM 143 N LEU A 8 6.172 3.737 -4.762 1.00 0.00 N ATOM 144 CA LEU A 8 5.355 4.947 -4.603 1.00 0.00 C ATOM 145 C LEU A 8 6.205 6.129 -4.120 1.00 0.00 C ATOM 146 O LEU A 8 6.101 7.229 -4.661 1.00 0.00 O ATOM 147 CB LEU A 8 4.181 4.661 -3.647 1.00 0.00 C ATOM 148 CG LEU A 8 3.209 5.851 -3.460 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.670 6.421 -4.783 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.023 5.411 -2.590 1.00 0.00 C ATOM 0 H LEU A 8 5.904 2.966 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 8 4.946 5.227 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.621 3.805 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.581 4.377 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 8 3.782 6.644 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.996 7.251 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.502 6.774 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.130 5.642 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.338 6.249 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.500 4.588 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.388 5.084 -1.616 1.00 0.00 H new ATOM 162 N TYR A 9 7.090 5.895 -3.147 1.00 0.00 N ATOM 163 CA TYR A 9 8.000 6.918 -2.631 1.00 0.00 C ATOM 164 C TYR A 9 8.977 7.436 -3.706 1.00 0.00 C ATOM 165 O TYR A 9 9.155 8.648 -3.847 1.00 0.00 O ATOM 166 CB TYR A 9 8.738 6.351 -1.411 1.00 0.00 C ATOM 167 CG TYR A 9 9.590 7.372 -0.683 1.00 0.00 C ATOM 168 CD1 TYR A 9 9.013 8.190 0.308 1.00 0.00 C ATOM 169 CD2 TYR A 9 10.953 7.517 -1.004 1.00 0.00 C ATOM 170 CE1 TYR A 9 9.790 9.157 0.972 1.00 0.00 C ATOM 171 CE2 TYR A 9 11.739 8.483 -0.346 1.00 0.00 C ATOM 172 CZ TYR A 9 11.158 9.309 0.644 1.00 0.00 C ATOM 173 OH TYR A 9 11.909 10.246 1.288 1.00 0.00 O ATOM 0 H TYR A 9 7.195 4.987 -2.694 1.00 0.00 H new ATOM 0 HA TYR A 9 7.416 7.787 -2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.007 5.939 -0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.373 5.525 -1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.969 8.074 0.559 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.398 6.885 -1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.343 9.782 1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.784 8.593 -0.597 1.00 0.00 H new ATOM 0 HH TYR A 9 12.827 10.221 0.946 1.00 0.00 H new ATOM 183 N ALA A 10 9.558 6.536 -4.507 1.00 0.00 N ATOM 184 CA ALA A 10 10.440 6.878 -5.625 1.00 0.00 C ATOM 185 C ALA A 10 9.704 7.609 -6.763 1.00 0.00 C ATOM 186 O ALA A 10 10.229 8.580 -7.305 1.00 0.00 O ATOM 187 CB ALA A 10 11.113 5.592 -6.123 1.00 0.00 C ATOM 0 H ALA A 10 9.425 5.531 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 10 11.195 7.580 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.775 5.827 -6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.693 5.148 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.350 4.886 -6.453 1.00 0.00 H new ATOM 193 N TRP A 11 8.473 7.200 -7.091 1.00 0.00 N ATOM 194 CA TRP A 11 7.622 7.865 -8.082 1.00 0.00 C ATOM 195 C TRP A 11 7.295 9.307 -7.667 1.00 0.00 C ATOM 196 O TRP A 11 7.444 10.234 -8.463 1.00 0.00 O ATOM 197 CB TRP A 11 6.341 7.046 -8.273 1.00 0.00 C ATOM 198 CG TRP A 11 5.358 7.652 -9.225 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.300 7.433 -10.557 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.273 8.584 -8.929 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.292 8.201 -11.111 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.619 8.922 -10.150 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.763 9.163 -7.747 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.528 9.800 -10.195 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.661 10.038 -7.779 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.047 10.362 -9.001 1.00 0.00 C ATOM 0 H TRP A 11 8.033 6.383 -6.667 1.00 0.00 H new ATOM 0 HA TRP A 11 8.161 7.922 -9.028 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.609 6.052 -8.630 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.858 6.917 -7.304 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.943 6.761 -11.106 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.074 8.230 -12.107 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.227 8.930 -6.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.062 10.042 -11.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.285 10.463 -6.860 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.208 11.041 -9.022 1.00 0.00 H new ATOM 217 N CYS A 12 6.919 9.503 -6.399 1.00 0.00 N ATOM 218 CA CYS A 12 6.724 10.830 -5.808 1.00 0.00 C ATOM 219 C CYS A 12 8.005 11.683 -5.887 1.00 0.00 C ATOM 220 O CYS A 12 7.950 12.835 -6.322 1.00 0.00 O ATOM 221 CB CYS A 12 6.260 10.666 -4.353 1.00 0.00 C ATOM 222 SG CYS A 12 4.578 9.991 -4.256 1.00 0.00 S ATOM 0 H CYS A 12 6.740 8.738 -5.749 1.00 0.00 H new ATOM 0 HA CYS A 12 5.960 11.359 -6.377 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.948 10.006 -3.824 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.294 11.632 -3.849 1.00 0.00 H new ATOM 0 HG CYS A 12 4.623 8.696 -4.363 1.00 0.00 H new ATOM 228 N GLY A 13 9.163 11.105 -5.549 1.00 0.00 N ATOM 229 CA GLY A 13 10.462 11.793 -5.540 1.00 0.00 C ATOM 230 C GLY A 13 10.962 12.206 -6.927 1.00 0.00 C ATOM 231 O GLY A 13 11.666 13.209 -7.047 1.00 0.00 O ATOM 0 H GLY A 13 9.226 10.126 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.386 12.682 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.203 11.141 -5.078 1.00 0.00 H new ATOM 235 N LYS A 14 10.544 11.509 -7.990 1.00 0.00 N ATOM 236 CA LYS A 14 10.824 11.877 -9.391 1.00 0.00 C ATOM 237 C LYS A 14 9.916 13.016 -9.904 1.00 0.00 C ATOM 238 O LYS A 14 10.148 13.558 -10.988 1.00 0.00 O ATOM 239 CB LYS A 14 10.702 10.613 -10.266 1.00 0.00 C ATOM 240 CG LYS A 14 11.884 9.653 -10.056 1.00 0.00 C ATOM 241 CD LYS A 14 11.664 8.338 -10.814 1.00 0.00 C ATOM 242 CE LYS A 14 12.859 7.400 -10.590 1.00 0.00 C ATOM 243 NZ LYS A 14 12.703 6.121 -11.332 1.00 0.00 N ATOM 0 H LYS A 14 9.991 10.656 -7.903 1.00 0.00 H new ATOM 0 HA LYS A 14 11.839 12.270 -9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.770 10.098 -10.032 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.651 10.902 -11.316 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.805 10.124 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.006 9.448 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.746 7.860 -10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.542 8.538 -11.879 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.775 7.896 -10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.963 7.192 -9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.529 5.514 -11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.842 5.635 -11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.629 6.317 -12.351 1.00 0.00 H new ATOM 257 N ARG A 15 8.903 13.389 -9.110 1.00 0.00 N ATOM 258 CA ARG A 15 7.891 14.419 -9.385 1.00 0.00 C ATOM 259 C ARG A 15 7.906 15.561 -8.345 1.00 0.00 C ATOM 260 O ARG A 15 6.992 16.386 -8.329 1.00 0.00 O ATOM 261 CB ARG A 15 6.513 13.733 -9.451 1.00 0.00 C ATOM 262 CG ARG A 15 6.410 12.689 -10.579 1.00 0.00 C ATOM 263 CD ARG A 15 5.038 12.006 -10.636 1.00 0.00 C ATOM 264 NE ARG A 15 3.942 12.950 -10.944 1.00 0.00 N ATOM 265 CZ ARG A 15 3.012 12.827 -11.888 1.00 0.00 C ATOM 266 NH1 ARG A 15 3.050 11.894 -12.814 1.00 0.00 N ATOM 267 NH2 ARG A 15 1.994 13.657 -11.910 1.00 0.00 N ATOM 0 H ARG A 15 8.759 12.951 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 15 8.120 14.894 -10.339 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.309 13.248 -8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.743 14.491 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.609 13.173 -11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.182 11.932 -10.438 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.059 11.221 -11.392 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.838 11.523 -9.680 1.00 0.00 H new ATOM 0 HE ARG A 15 3.893 13.790 -10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.817 11.222 -12.830 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.312 11.842 -13.516 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.919 14.391 -11.206 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.278 13.567 -12.631 1.00 0.00 H new ATOM 281 N LYS A 16 8.916 15.605 -7.461 1.00 0.00 N ATOM 282 CA LYS A 16 9.098 16.604 -6.384 1.00 0.00 C ATOM 283 C LYS A 16 7.995 16.552 -5.294 1.00 0.00 C ATOM 284 O LYS A 16 7.663 17.566 -4.674 1.00 0.00 O ATOM 285 CB LYS A 16 9.324 18.019 -6.971 1.00 0.00 C ATOM 286 CG LYS A 16 10.511 18.086 -7.946 1.00 0.00 C ATOM 287 CD LYS A 16 10.743 19.525 -8.428 1.00 0.00 C ATOM 288 CE LYS A 16 11.928 19.572 -9.400 1.00 0.00 C ATOM 289 NZ LYS A 16 12.185 20.953 -9.888 1.00 0.00 N ATOM 0 H LYS A 16 9.666 14.914 -7.475 1.00 0.00 H new ATOM 0 HA LYS A 16 10.008 16.332 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.419 18.340 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.492 18.722 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.410 17.713 -7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.321 17.438 -8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.845 19.901 -8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.937 20.175 -7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.820 19.189 -8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.729 18.917 -10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.993 20.945 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.342 21.309 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.400 21.572 -9.080 1.00 0.00 H new ATOM 303 N MET A 17 7.421 15.366 -5.063 1.00 0.00 N ATOM 304 CA MET A 17 6.367 15.075 -4.075 1.00 0.00 C ATOM 305 C MET A 17 6.855 14.083 -3.003 1.00 0.00 C ATOM 306 O MET A 17 7.915 13.466 -3.149 1.00 0.00 O ATOM 307 CB MET A 17 5.135 14.497 -4.800 1.00 0.00 C ATOM 308 CG MET A 17 4.539 15.466 -5.826 1.00 0.00 C ATOM 309 SD MET A 17 2.948 14.957 -6.533 1.00 0.00 S ATOM 310 CE MET A 17 3.381 13.332 -7.206 1.00 0.00 C ATOM 0 H MET A 17 7.692 14.535 -5.588 1.00 0.00 H new ATOM 0 HA MET A 17 6.103 16.005 -3.572 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.416 13.571 -5.302 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.373 14.241 -4.064 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.413 16.440 -5.353 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.255 15.596 -6.638 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.530 12.926 -7.753 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.231 13.432 -7.881 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.643 12.658 -6.390 1.00 0.00 H new ATOM 320 N THR A 18 6.028 13.873 -1.971 1.00 0.00 N ATOM 321 CA THR A 18 6.228 12.899 -0.880 1.00 0.00 C ATOM 322 C THR A 18 4.868 12.279 -0.515 1.00 0.00 C ATOM 323 O THR A 18 3.921 13.046 -0.323 1.00 0.00 O ATOM 324 CB THR A 18 6.843 13.586 0.352 1.00 0.00 C ATOM 325 OG1 THR A 18 8.021 14.268 -0.025 1.00 0.00 O ATOM 326 CG2 THR A 18 7.229 12.582 1.440 1.00 0.00 C ATOM 0 H THR A 18 5.161 14.399 -1.865 1.00 0.00 H new ATOM 0 HA THR A 18 6.915 12.120 -1.211 1.00 0.00 H new ATOM 0 HB THR A 18 6.088 14.268 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.411 14.706 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.659 13.113 2.289 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.342 12.037 1.764 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.962 11.879 1.043 1.00 0.00 H new ATOM 334 N PRO A 19 4.738 10.939 -0.417 1.00 0.00 N ATOM 335 CA PRO A 19 3.494 10.288 -0.014 1.00 0.00 C ATOM 336 C PRO A 19 3.301 10.387 1.505 1.00 0.00 C ATOM 337 O PRO A 19 4.265 10.341 2.270 1.00 0.00 O ATOM 338 CB PRO A 19 3.630 8.837 -0.479 1.00 0.00 C ATOM 339 CG PRO A 19 5.130 8.578 -0.361 1.00 0.00 C ATOM 340 CD PRO A 19 5.757 9.934 -0.694 1.00 0.00 C ATOM 0 HA PRO A 19 2.616 10.760 -0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.052 8.157 0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.277 8.706 -1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.402 8.246 0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.459 7.803 -1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.648 10.108 -0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.066 9.973 -1.738 1.00 0.00 H new ATOM 348 N ALA A 20 2.044 10.502 1.939 1.00 0.00 N ATOM 349 CA ALA A 20 1.658 10.614 3.345 1.00 0.00 C ATOM 350 C ALA A 20 0.765 9.436 3.761 1.00 0.00 C ATOM 351 O ALA A 20 -0.358 9.294 3.276 1.00 0.00 O ATOM 352 CB ALA A 20 0.965 11.964 3.560 1.00 0.00 C ATOM 0 H ALA A 20 1.246 10.520 1.304 1.00 0.00 H new ATOM 0 HA ALA A 20 2.544 10.571 3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.672 12.060 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.651 12.770 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.079 12.023 2.928 1.00 0.00 H new ATOM 358 N TYR A 21 1.276 8.606 4.673 1.00 0.00 N ATOM 359 CA TYR A 21 0.616 7.401 5.193 1.00 0.00 C ATOM 360 C TYR A 21 -0.057 7.646 6.560 1.00 0.00 C ATOM 361 O TYR A 21 0.362 8.521 7.326 1.00 0.00 O ATOM 362 CB TYR A 21 1.646 6.261 5.328 1.00 0.00 C ATOM 363 CG TYR A 21 2.248 5.739 4.034 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.348 6.396 3.445 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.740 4.566 3.438 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.920 5.901 2.259 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.311 4.063 2.252 1.00 0.00 C ATOM 368 CZ TYR A 21 3.397 4.737 1.652 1.00 0.00 C ATOM 369 OH TYR A 21 3.935 4.274 0.489 1.00 0.00 O ATOM 0 H TYR A 21 2.196 8.758 5.087 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.164 7.126 4.483 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.458 6.608 5.967 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.168 5.428 5.843 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.753 7.284 3.907 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.908 4.050 3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.760 6.411 1.812 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.918 3.163 1.802 1.00 0.00 H new ATOM 0 HH TYR A 21 4.803 4.703 0.336 1.00 0.00 H new ATOM 379 N GLU A 22 -1.049 6.824 6.900 1.00 0.00 N ATOM 380 CA GLU A 22 -1.676 6.744 8.224 1.00 0.00 C ATOM 381 C GLU A 22 -2.101 5.293 8.513 1.00 0.00 C ATOM 382 O GLU A 22 -2.348 4.515 7.589 1.00 0.00 O ATOM 383 CB GLU A 22 -2.839 7.754 8.316 1.00 0.00 C ATOM 384 CG GLU A 22 -3.550 7.822 9.677 1.00 0.00 C ATOM 385 CD GLU A 22 -2.592 8.204 10.816 1.00 0.00 C ATOM 386 OE1 GLU A 22 -1.901 7.304 11.346 1.00 0.00 O ATOM 387 OE2 GLU A 22 -2.527 9.402 11.182 1.00 0.00 O ATOM 0 H GLU A 22 -1.457 6.167 6.235 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.962 7.021 9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.456 8.746 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.576 7.504 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.359 8.551 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.004 6.856 9.896 1.00 0.00 H new ATOM 394 N ILE A 23 -2.140 4.906 9.792 1.00 0.00 N ATOM 395 CA ILE A 23 -2.301 3.514 10.252 1.00 0.00 C ATOM 396 C ILE A 23 -3.391 3.405 11.333 1.00 0.00 C ATOM 397 O ILE A 23 -3.496 4.246 12.230 1.00 0.00 O ATOM 398 CB ILE A 23 -0.932 2.951 10.725 1.00 0.00 C ATOM 399 CG1 ILE A 23 0.058 2.897 9.533 1.00 0.00 C ATOM 400 CG2 ILE A 23 -1.067 1.557 11.375 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.451 2.354 9.867 1.00 0.00 C ATOM 0 H ILE A 23 -2.058 5.569 10.563 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.640 2.900 9.417 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.545 3.625 11.489 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.377 2.279 8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.165 3.902 9.125 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.084 1.205 11.689 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.724 1.622 12.243 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.489 0.858 10.653 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.068 2.357 8.968 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.914 2.983 10.627 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.364 1.335 10.244 1.00 0.00 H new ATOM 413 N ARG A 24 -4.184 2.335 11.239 1.00 0.00 N ATOM 414 CA ARG A 24 -5.260 1.918 12.147 1.00 0.00 C ATOM 415 C ARG A 24 -4.976 0.498 12.669 1.00 0.00 C ATOM 416 O ARG A 24 -4.312 -0.289 11.994 1.00 0.00 O ATOM 417 CB ARG A 24 -6.607 1.971 11.384 1.00 0.00 C ATOM 418 CG ARG A 24 -7.453 3.212 11.714 1.00 0.00 C ATOM 419 CD ARG A 24 -6.966 4.509 11.049 1.00 0.00 C ATOM 420 NE ARG A 24 -7.651 5.676 11.635 1.00 0.00 N ATOM 421 CZ ARG A 24 -8.001 6.811 11.038 1.00 0.00 C ATOM 422 NH1 ARG A 24 -7.821 7.046 9.757 1.00 0.00 N ATOM 423 NH2 ARG A 24 -8.561 7.764 11.755 1.00 0.00 N ATOM 0 H ARG A 24 -4.083 1.682 10.462 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.313 2.589 13.004 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.409 1.951 10.312 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.183 1.076 11.618 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.483 3.026 11.409 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.462 3.354 12.795 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.888 4.609 11.178 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.156 4.469 9.976 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.886 5.603 12.625 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.391 6.336 9.164 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.111 7.938 9.356 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.720 7.625 12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.835 8.641 11.312 1.00 0.00 H new ATOM 437 N ALA A 25 -5.490 0.139 13.847 1.00 0.00 N ATOM 438 CA ALA A 25 -5.315 -1.186 14.463 1.00 0.00 C ATOM 439 C ALA A 25 -6.660 -1.923 14.612 1.00 0.00 C ATOM 440 O ALA A 25 -7.677 -1.304 14.931 1.00 0.00 O ATOM 441 CB ALA A 25 -4.605 -1.011 15.811 1.00 0.00 C ATOM 0 H ALA A 25 -6.053 0.772 14.415 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.700 -1.810 13.815 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.468 -1.986 16.280 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.632 -0.545 15.652 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.209 -0.378 16.461 1.00 0.00 H new ATOM 447 N VAL A 26 -6.658 -3.240 14.380 1.00 0.00 N ATOM 448 CA VAL A 26 -7.850 -4.116 14.309 1.00 0.00 C ATOM 449 C VAL A 26 -7.516 -5.546 14.775 1.00 0.00 C ATOM 450 O VAL A 26 -6.366 -5.845 15.099 1.00 0.00 O ATOM 451 CB VAL A 26 -8.479 -4.127 12.887 1.00 0.00 C ATOM 452 CG1 VAL A 26 -9.107 -2.779 12.501 1.00 0.00 C ATOM 453 CG2 VAL A 26 -7.482 -4.553 11.793 1.00 0.00 C ATOM 0 H VAL A 26 -5.791 -3.755 14.229 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.594 -3.702 14.989 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.270 -4.875 12.945 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.530 -2.848 11.499 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.895 -2.528 13.211 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.342 -2.003 12.519 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.979 -4.541 10.823 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.641 -3.860 11.778 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.120 -5.559 12.003 1.00 0.00 H new ATOM 463 N GLY A 27 -8.515 -6.433 14.831 1.00 0.00 N ATOM 464 CA GLY A 27 -8.359 -7.833 15.253 1.00 0.00 C ATOM 465 C GLY A 27 -8.669 -8.033 16.737 1.00 0.00 C ATOM 466 O GLY A 27 -9.609 -7.439 17.269 1.00 0.00 O ATOM 0 H GLY A 27 -9.475 -6.195 14.580 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.019 -8.464 14.658 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.339 -8.159 15.051 1.00 0.00 H new ATOM 470 N ASN A 28 -7.901 -8.907 17.392 1.00 0.00 N ATOM 471 CA ASN A 28 -8.087 -9.329 18.788 1.00 0.00 C ATOM 472 C ASN A 28 -6.788 -9.190 19.608 1.00 0.00 C ATOM 473 O ASN A 28 -5.692 -9.108 19.050 1.00 0.00 O ATOM 474 CB ASN A 28 -8.598 -10.783 18.821 1.00 0.00 C ATOM 475 CG ASN A 28 -9.787 -11.034 17.896 1.00 0.00 C ATOM 476 OD1 ASN A 28 -9.633 -11.503 16.773 1.00 0.00 O ATOM 477 ND2 ASN A 28 -10.998 -10.735 18.333 1.00 0.00 N ATOM 0 H ASN A 28 -7.101 -9.359 16.950 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.826 -8.673 19.248 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.784 -11.452 18.542 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.883 -11.036 19.842 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.809 -10.894 17.736 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.121 -10.345 19.268 1.00 0.00 H new ATOM 484 N LYS A 29 -6.884 -9.252 20.942 1.00 0.00 N ATOM 485 CA LYS A 29 -5.729 -9.160 21.863 1.00 0.00 C ATOM 486 C LYS A 29 -4.672 -10.257 21.633 1.00 0.00 C ATOM 487 O LYS A 29 -3.468 -10.022 21.749 1.00 0.00 O ATOM 488 CB LYS A 29 -6.233 -9.221 23.318 1.00 0.00 C ATOM 489 CG LYS A 29 -7.282 -8.142 23.611 1.00 0.00 C ATOM 490 CD LYS A 29 -7.523 -7.986 25.121 1.00 0.00 C ATOM 491 CE LYS A 29 -8.631 -6.969 25.440 1.00 0.00 C ATOM 492 NZ LYS A 29 -8.236 -5.571 25.121 1.00 0.00 N ATOM 0 H LYS A 29 -7.775 -9.369 21.425 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.237 -8.209 21.661 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.661 -10.204 23.512 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.390 -9.101 23.998 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.953 -7.190 23.194 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.219 -8.400 23.117 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.790 -8.954 25.545 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.597 -7.672 25.603 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.528 -7.226 24.877 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.888 -7.037 26.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.019 -4.927 25.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.396 -5.312 25.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.017 -5.495 24.107 1.00 0.00 H new ATOM 506 N ASN A 30 -5.148 -11.445 21.256 1.00 0.00 N ATOM 507 CA ASN A 30 -4.348 -12.640 20.936 1.00 0.00 C ATOM 508 C ASN A 30 -4.101 -12.838 19.415 1.00 0.00 C ATOM 509 O ASN A 30 -3.497 -13.831 19.002 1.00 0.00 O ATOM 510 CB ASN A 30 -5.050 -13.852 21.580 1.00 0.00 C ATOM 511 CG ASN A 30 -4.181 -15.112 21.616 1.00 0.00 C ATOM 512 OD1 ASN A 30 -3.014 -15.081 21.991 1.00 0.00 O ATOM 513 ND2 ASN A 30 -4.727 -16.257 21.243 1.00 0.00 N ATOM 0 H ASN A 30 -6.149 -11.613 21.159 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.346 -12.518 21.347 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.344 -13.594 22.597 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.965 -14.067 21.029 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.177 -17.116 21.267 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.698 -16.281 20.931 1.00 0.00 H new ATOM 520 N ARG A 31 -4.576 -11.904 18.575 1.00 0.00 N ATOM 521 CA ARG A 31 -4.510 -11.940 17.103 1.00 0.00 C ATOM 522 C ARG A 31 -4.532 -10.506 16.548 1.00 0.00 C ATOM 523 O ARG A 31 -5.552 -10.027 16.048 1.00 0.00 O ATOM 524 CB ARG A 31 -5.646 -12.836 16.564 1.00 0.00 C ATOM 525 CG ARG A 31 -5.585 -13.065 15.043 1.00 0.00 C ATOM 526 CD ARG A 31 -6.680 -14.026 14.559 1.00 0.00 C ATOM 527 NE ARG A 31 -8.037 -13.503 14.817 1.00 0.00 N ATOM 528 CZ ARG A 31 -9.182 -14.052 14.430 1.00 0.00 C ATOM 529 NH1 ARG A 31 -9.228 -15.146 13.697 1.00 0.00 N ATOM 530 NH2 ARG A 31 -10.312 -13.489 14.792 1.00 0.00 N ATOM 0 H ARG A 31 -5.039 -11.063 18.919 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.574 -12.383 16.763 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.607 -13.801 17.070 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.605 -12.383 16.816 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.689 -12.110 14.529 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.607 -13.466 14.776 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.558 -14.204 13.490 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.563 -14.988 15.058 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.101 -12.633 15.345 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.363 -15.602 13.407 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.129 -15.537 13.420 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.301 -12.643 15.362 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.201 -13.898 14.503 1.00 0.00 H new ATOM 544 N GLN A 32 -3.418 -9.792 16.714 1.00 0.00 N ATOM 545 CA GLN A 32 -3.290 -8.377 16.359 1.00 0.00 C ATOM 546 C GLN A 32 -3.152 -8.205 14.838 1.00 0.00 C ATOM 547 O GLN A 32 -2.422 -8.949 14.181 1.00 0.00 O ATOM 548 CB GLN A 32 -2.078 -7.792 17.110 1.00 0.00 C ATOM 549 CG GLN A 32 -1.881 -6.281 16.898 1.00 0.00 C ATOM 550 CD GLN A 32 -3.061 -5.450 17.406 1.00 0.00 C ATOM 551 OE1 GLN A 32 -3.438 -5.499 18.569 1.00 0.00 O ATOM 552 NE2 GLN A 32 -3.714 -4.679 16.561 1.00 0.00 N ATOM 0 H GLN A 32 -2.563 -10.188 17.106 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.189 -7.836 16.655 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.195 -7.987 18.176 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.177 -8.314 16.788 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.972 -5.963 17.409 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.735 -6.084 15.836 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.417 -4.623 15.587 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.517 -4.138 16.881 1.00 0.00 H new ATOM 561 N LYS A 33 -3.833 -7.194 14.288 1.00 0.00 N ATOM 562 CA LYS A 33 -3.823 -6.834 12.863 1.00 0.00 C ATOM 563 C LYS A 33 -3.866 -5.306 12.678 1.00 0.00 C ATOM 564 O LYS A 33 -4.230 -4.558 13.598 1.00 0.00 O ATOM 565 CB LYS A 33 -5.006 -7.522 12.147 1.00 0.00 C ATOM 566 CG LYS A 33 -4.846 -9.043 12.000 1.00 0.00 C ATOM 567 CD LYS A 33 -5.988 -9.629 11.157 1.00 0.00 C ATOM 568 CE LYS A 33 -5.811 -11.146 11.007 1.00 0.00 C ATOM 569 NZ LYS A 33 -6.883 -11.743 10.166 1.00 0.00 N ATOM 0 H LYS A 33 -4.429 -6.580 14.843 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.893 -7.185 12.415 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.922 -7.315 12.700 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.124 -7.082 11.157 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.888 -9.270 11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.838 -9.510 12.985 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.946 -9.412 11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.003 -9.158 10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.839 -11.357 10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.818 -11.613 11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.731 -12.769 10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.809 -11.563 10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.860 -11.315 9.218 1.00 0.00 H new ATOM 583 N PHE A 34 -3.503 -4.831 11.488 1.00 0.00 N ATOM 584 CA PHE A 34 -3.403 -3.411 11.150 1.00 0.00 C ATOM 585 C PHE A 34 -4.022 -3.106 9.785 1.00 0.00 C ATOM 586 O PHE A 34 -4.003 -3.927 8.868 1.00 0.00 O ATOM 587 CB PHE A 34 -1.933 -2.965 11.218 1.00 0.00 C ATOM 588 CG PHE A 34 -1.326 -3.104 12.600 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.585 -2.134 13.587 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.547 -4.232 12.921 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.073 -2.295 14.886 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.022 -4.385 14.215 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.286 -3.417 15.200 1.00 0.00 C ATOM 0 H PHE A 34 -3.263 -5.442 10.708 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.975 -2.841 11.882 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.349 -3.555 10.512 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.861 -1.925 10.901 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.178 -1.264 13.345 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.352 -4.983 12.169 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.284 -1.556 15.644 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.584 -5.246 14.453 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.115 -3.535 16.196 1.00 0.00 H new ATOM 603 N MET A 35 -4.541 -1.886 9.664 1.00 0.00 N ATOM 604 CA MET A 35 -5.035 -1.264 8.435 1.00 0.00 C ATOM 605 C MET A 35 -4.210 -0.009 8.143 1.00 0.00 C ATOM 606 O MET A 35 -3.639 0.593 9.053 1.00 0.00 O ATOM 607 CB MET A 35 -6.526 -0.920 8.564 1.00 0.00 C ATOM 608 CG MET A 35 -7.384 -2.161 8.831 1.00 0.00 C ATOM 609 SD MET A 35 -9.170 -1.859 8.838 1.00 0.00 S ATOM 610 CE MET A 35 -9.446 -1.651 7.063 1.00 0.00 C ATOM 0 H MET A 35 -4.634 -1.267 10.469 1.00 0.00 H new ATOM 0 HA MET A 35 -4.929 -1.964 7.606 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.663 -0.204 9.374 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.866 -0.435 7.649 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.159 -2.911 8.073 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.097 -2.584 9.794 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.517 -1.633 6.861 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.998 -0.714 6.733 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.989 -2.481 6.524 1.00 0.00 H new ATOM 620 N CYS A 36 -4.137 0.404 6.883 1.00 0.00 N ATOM 621 CA CYS A 36 -3.332 1.544 6.452 1.00 0.00 C ATOM 622 C CYS A 36 -3.973 2.257 5.260 1.00 0.00 C ATOM 623 O CYS A 36 -4.729 1.659 4.495 1.00 0.00 O ATOM 624 CB CYS A 36 -1.909 1.037 6.171 1.00 0.00 C ATOM 625 SG CYS A 36 -0.790 2.413 5.787 1.00 0.00 S ATOM 0 H CYS A 36 -4.642 -0.049 6.121 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.280 2.300 7.235 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.536 0.492 7.038 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.927 0.335 5.337 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.187 3.482 6.411 1.00 0.00 H new ATOM 631 N GLU A 37 -3.660 3.537 5.110 1.00 0.00 N ATOM 632 CA GLU A 37 -4.163 4.429 4.080 1.00 0.00 C ATOM 633 C GLU A 37 -3.052 5.402 3.658 1.00 0.00 C ATOM 634 O GLU A 37 -2.242 5.805 4.494 1.00 0.00 O ATOM 635 CB GLU A 37 -5.421 5.144 4.602 1.00 0.00 C ATOM 636 CG GLU A 37 -5.184 5.992 5.859 1.00 0.00 C ATOM 637 CD GLU A 37 -6.499 6.446 6.489 1.00 0.00 C ATOM 638 OE1 GLU A 37 -7.032 7.494 6.054 1.00 0.00 O ATOM 639 OE2 GLU A 37 -6.977 5.779 7.436 1.00 0.00 O ATOM 0 H GLU A 37 -3.010 4.005 5.742 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.453 3.872 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.815 5.785 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.186 4.398 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.613 5.414 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.583 6.864 5.602 1.00 0.00 H new ATOM 646 N VAL A 38 -3.002 5.770 2.375 1.00 0.00 N ATOM 647 CA VAL A 38 -1.968 6.654 1.806 1.00 0.00 C ATOM 648 C VAL A 38 -2.556 7.638 0.792 1.00 0.00 C ATOM 649 O VAL A 38 -3.457 7.295 0.025 1.00 0.00 O ATOM 650 CB VAL A 38 -0.785 5.851 1.210 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.150 5.108 -0.081 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.439 6.741 0.927 1.00 0.00 C ATOM 0 H VAL A 38 -3.688 5.460 1.687 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.567 7.245 2.629 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.537 5.118 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.279 4.565 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.958 4.404 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.474 5.826 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.242 6.133 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.166 7.519 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.777 7.201 1.856 1.00 0.00 H new ATOM 662 N ARG A 39 -2.027 8.866 0.812 1.00 0.00 N ATOM 663 CA ARG A 39 -2.436 10.010 -0.012 1.00 0.00 C ATOM 664 C ARG A 39 -1.203 10.747 -0.559 1.00 0.00 C ATOM 665 O ARG A 39 -0.105 10.627 -0.012 1.00 0.00 O ATOM 666 CB ARG A 39 -3.301 10.965 0.839 1.00 0.00 C ATOM 667 CG ARG A 39 -4.621 10.331 1.307 1.00 0.00 C ATOM 668 CD ARG A 39 -5.415 11.291 2.203 1.00 0.00 C ATOM 669 NE ARG A 39 -6.652 10.665 2.709 1.00 0.00 N ATOM 670 CZ ARG A 39 -6.751 9.786 3.702 1.00 0.00 C ATOM 671 NH1 ARG A 39 -5.721 9.369 4.402 1.00 0.00 N ATOM 672 NH2 ARG A 39 -7.911 9.275 4.038 1.00 0.00 N ATOM 0 H ARG A 39 -1.258 9.102 1.439 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.020 9.653 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.729 11.283 1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.521 11.860 0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.223 10.058 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.411 9.411 1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.794 11.602 3.043 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.666 12.191 1.641 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.522 10.935 2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.787 9.721 4.194 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.855 8.693 5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.755 9.551 3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.970 8.602 4.802 1.00 0.00 H new ATOM 686 N VAL A 40 -1.387 11.530 -1.622 1.00 0.00 N ATOM 687 CA VAL A 40 -0.350 12.352 -2.278 1.00 0.00 C ATOM 688 C VAL A 40 -0.970 13.701 -2.659 1.00 0.00 C ATOM 689 O VAL A 40 -2.100 13.744 -3.147 1.00 0.00 O ATOM 690 CB VAL A 40 0.242 11.650 -3.529 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.369 12.483 -4.163 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.816 10.257 -3.212 1.00 0.00 C ATOM 0 H VAL A 40 -2.297 11.618 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 40 0.476 12.499 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.594 11.547 -4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.760 11.961 -5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.977 13.454 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.169 12.625 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.216 9.812 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.612 10.351 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.026 9.620 -2.814 1.00 0.00 H new ATOM 702 N GLU A 41 -0.249 14.799 -2.409 1.00 0.00 N ATOM 703 CA GLU A 41 -0.716 16.166 -2.672 1.00 0.00 C ATOM 704 C GLU A 41 -1.049 16.377 -4.162 1.00 0.00 C ATOM 705 O GLU A 41 -0.249 16.057 -5.044 1.00 0.00 O ATOM 706 CB GLU A 41 0.342 17.170 -2.179 1.00 0.00 C ATOM 707 CG GLU A 41 -0.152 18.621 -2.245 1.00 0.00 C ATOM 708 CD GLU A 41 0.879 19.584 -1.638 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.816 19.851 -0.414 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.753 20.091 -2.381 1.00 0.00 O ATOM 0 H GLU A 41 0.690 14.763 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.643 16.333 -2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.617 16.929 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.244 17.069 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.345 18.896 -3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.098 18.711 -1.710 1.00 0.00 H new ATOM 717 N GLY A 42 -2.244 16.915 -4.442 1.00 0.00 N ATOM 718 CA GLY A 42 -2.763 17.137 -5.801 1.00 0.00 C ATOM 719 C GLY A 42 -3.629 15.994 -6.349 1.00 0.00 C ATOM 720 O GLY A 42 -4.110 16.099 -7.478 1.00 0.00 O ATOM 0 H GLY A 42 -2.892 17.215 -3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.351 18.055 -5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.922 17.294 -6.476 1.00 0.00 H new ATOM 724 N PHE A 43 -3.860 14.934 -5.563 1.00 0.00 N ATOM 725 CA PHE A 43 -4.701 13.783 -5.915 1.00 0.00 C ATOM 726 C PHE A 43 -5.800 13.580 -4.862 1.00 0.00 C ATOM 727 O PHE A 43 -5.531 13.573 -3.660 1.00 0.00 O ATOM 728 CB PHE A 43 -3.824 12.528 -6.056 1.00 0.00 C ATOM 729 CG PHE A 43 -2.767 12.633 -7.139 1.00 0.00 C ATOM 730 CD1 PHE A 43 -3.070 12.267 -8.466 1.00 0.00 C ATOM 731 CD2 PHE A 43 -1.491 13.142 -6.833 1.00 0.00 C ATOM 732 CE1 PHE A 43 -2.103 12.413 -9.476 1.00 0.00 C ATOM 733 CE2 PHE A 43 -0.529 13.294 -7.845 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.834 12.929 -9.167 1.00 0.00 C ATOM 0 H PHE A 43 -3.452 14.852 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.191 13.972 -6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.334 12.330 -5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.464 11.672 -6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.047 11.874 -8.707 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.251 13.417 -5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.336 12.128 -10.491 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.446 13.692 -7.607 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.094 13.045 -9.945 1.00 0.00 H new ATOM 744 N ASN A 44 -7.046 13.417 -5.319 1.00 0.00 N ATOM 745 CA ASN A 44 -8.228 13.319 -4.448 1.00 0.00 C ATOM 746 C ASN A 44 -8.465 11.913 -3.850 1.00 0.00 C ATOM 747 O ASN A 44 -9.272 11.762 -2.931 1.00 0.00 O ATOM 748 CB ASN A 44 -9.463 13.835 -5.209 1.00 0.00 C ATOM 749 CG ASN A 44 -9.841 12.970 -6.410 1.00 0.00 C ATOM 750 OD1 ASN A 44 -10.305 11.844 -6.275 1.00 0.00 O ATOM 751 ND2 ASN A 44 -9.654 13.466 -7.621 1.00 0.00 N ATOM 0 H ASN A 44 -7.267 13.348 -6.312 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.039 13.950 -3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.309 13.882 -4.524 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.272 14.853 -5.549 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.896 12.911 -8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.268 14.403 -7.734 1.00 0.00 H new ATOM 758 N TYR A 45 -7.766 10.886 -4.347 1.00 0.00 N ATOM 759 CA TYR A 45 -7.910 9.495 -3.908 1.00 0.00 C ATOM 760 C TYR A 45 -7.083 9.166 -2.650 1.00 0.00 C ATOM 761 O TYR A 45 -6.069 9.809 -2.363 1.00 0.00 O ATOM 762 CB TYR A 45 -7.530 8.582 -5.079 1.00 0.00 C ATOM 763 CG TYR A 45 -7.863 7.118 -4.869 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.205 6.699 -4.914 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.842 6.178 -4.621 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.534 5.346 -4.717 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.162 4.821 -4.432 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.510 4.401 -4.479 1.00 0.00 C ATOM 769 OH TYR A 45 -8.820 3.085 -4.320 1.00 0.00 O ATOM 0 H TYR A 45 -7.069 11.003 -5.082 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.948 9.331 -3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.040 8.932 -5.977 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.460 8.675 -5.263 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.987 7.420 -5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.812 6.500 -4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.566 5.030 -4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.378 4.101 -4.251 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.167 2.665 -3.722 1.00 0.00 H new ATOM 779 N ALA A 46 -7.498 8.124 -1.924 1.00 0.00 N ATOM 780 CA ALA A 46 -6.748 7.518 -0.827 1.00 0.00 C ATOM 781 C ALA A 46 -6.693 5.994 -1.028 1.00 0.00 C ATOM 782 O ALA A 46 -7.720 5.317 -0.947 1.00 0.00 O ATOM 783 CB ALA A 46 -7.407 7.917 0.500 1.00 0.00 C ATOM 0 H ALA A 46 -8.394 7.667 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.719 7.876 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.857 7.471 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.396 9.002 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.437 7.562 0.516 1.00 0.00 H new ATOM 789 N GLY A 47 -5.495 5.462 -1.292 1.00 0.00 N ATOM 790 CA GLY A 47 -5.256 4.021 -1.435 1.00 0.00 C ATOM 791 C GLY A 47 -5.138 3.373 -0.063 1.00 0.00 C ATOM 792 O GLY A 47 -4.581 3.987 0.849 1.00 0.00 O ATOM 0 H GLY A 47 -4.654 6.026 -1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.072 3.563 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.343 3.851 -2.006 1.00 0.00 H new ATOM 796 N MET A 48 -5.665 2.157 0.099 1.00 0.00 N ATOM 797 CA MET A 48 -5.820 1.505 1.408 1.00 0.00 C ATOM 798 C MET A 48 -5.415 0.027 1.404 1.00 0.00 C ATOM 799 O MET A 48 -5.536 -0.670 0.397 1.00 0.00 O ATOM 800 CB MET A 48 -7.262 1.674 1.917 1.00 0.00 C ATOM 801 CG MET A 48 -7.642 3.147 2.105 1.00 0.00 C ATOM 802 SD MET A 48 -9.206 3.410 2.972 1.00 0.00 S ATOM 803 CE MET A 48 -9.227 5.220 2.942 1.00 0.00 C ATOM 0 H MET A 48 -6.000 1.590 -0.680 1.00 0.00 H new ATOM 0 HA MET A 48 -5.131 2.004 2.090 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.951 1.210 1.211 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.375 1.148 2.865 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.846 3.647 2.657 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.699 3.623 1.126 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.128 5.582 3.437 1.00 0.00 H new ATOM 0 HE2 MET A 48 -8.349 5.603 3.462 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.216 5.567 1.909 1.00 0.00 H new ATOM 813 N GLY A 49 -4.916 -0.440 2.552 1.00 0.00 N ATOM 814 CA GLY A 49 -4.380 -1.785 2.777 1.00 0.00 C ATOM 815 C GLY A 49 -4.673 -2.334 4.170 1.00 0.00 C ATOM 816 O GLY A 49 -5.120 -1.608 5.057 1.00 0.00 O ATOM 0 H GLY A 49 -4.873 0.139 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.798 -2.463 2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.301 -1.768 2.622 1.00 0.00 H new ATOM 820 N ASN A 50 -4.393 -3.624 4.368 1.00 0.00 N ATOM 821 CA ASN A 50 -4.491 -4.309 5.664 1.00 0.00 C ATOM 822 C ASN A 50 -3.583 -5.552 5.730 1.00 0.00 C ATOM 823 O ASN A 50 -3.322 -6.182 4.704 1.00 0.00 O ATOM 824 CB ASN A 50 -5.958 -4.654 5.987 1.00 0.00 C ATOM 825 CG ASN A 50 -6.509 -5.802 5.142 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.480 -6.959 5.546 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.022 -5.523 3.957 1.00 0.00 N ATOM 0 H ASN A 50 -4.084 -4.238 3.615 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.131 -3.622 6.430 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.038 -4.917 7.042 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.575 -3.769 5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.396 -6.272 3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.044 -4.559 3.625 1.00 0.00 H new ATOM 834 N SER A 51 -3.105 -5.909 6.924 1.00 0.00 N ATOM 835 CA SER A 51 -2.223 -7.064 7.168 1.00 0.00 C ATOM 836 C SER A 51 -2.065 -7.376 8.673 1.00 0.00 C ATOM 837 O SER A 51 -2.698 -6.740 9.522 1.00 0.00 O ATOM 838 CB SER A 51 -0.851 -6.831 6.508 1.00 0.00 C ATOM 839 OG SER A 51 -0.163 -8.060 6.365 1.00 0.00 O ATOM 0 H SER A 51 -3.324 -5.391 7.775 1.00 0.00 H new ATOM 0 HA SER A 51 -2.693 -7.937 6.715 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.983 -6.364 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.260 -6.143 7.113 1.00 0.00 H new ATOM 0 HG SER A 51 0.300 -8.077 5.502 1.00 0.00 H new ATOM 845 N THR A 52 -1.199 -8.336 9.020 1.00 0.00 N ATOM 846 CA THR A 52 -0.810 -8.686 10.400 1.00 0.00 C ATOM 847 C THR A 52 0.183 -7.704 11.018 1.00 0.00 C ATOM 848 O THR A 52 0.405 -7.737 12.227 1.00 0.00 O ATOM 849 CB THR A 52 -0.199 -10.093 10.438 1.00 0.00 C ATOM 850 OG1 THR A 52 0.897 -10.140 9.543 1.00 0.00 O ATOM 851 CG2 THR A 52 -1.219 -11.164 10.044 1.00 0.00 C ATOM 0 H THR A 52 -0.730 -8.915 8.324 1.00 0.00 H new ATOM 0 HA THR A 52 -1.726 -8.643 10.990 1.00 0.00 H new ATOM 0 HB THR A 52 0.125 -10.298 11.458 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.296 -11.035 9.561 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.748 -12.146 10.083 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.061 -11.137 10.736 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.575 -10.972 9.032 1.00 0.00 H new ATOM 859 N ASN A 53 0.785 -6.834 10.202 1.00 0.00 N ATOM 860 CA ASN A 53 1.902 -5.965 10.573 1.00 0.00 C ATOM 861 C ASN A 53 1.880 -4.628 9.810 1.00 0.00 C ATOM 862 O ASN A 53 1.382 -4.535 8.684 1.00 0.00 O ATOM 863 CB ASN A 53 3.222 -6.729 10.366 1.00 0.00 C ATOM 864 CG ASN A 53 3.517 -6.989 8.893 1.00 0.00 C ATOM 865 OD1 ASN A 53 4.165 -6.186 8.231 1.00 0.00 O ATOM 866 ND2 ASN A 53 3.035 -8.088 8.340 1.00 0.00 N ATOM 0 H ASN A 53 0.497 -6.712 9.231 1.00 0.00 H new ATOM 0 HA ASN A 53 1.807 -5.701 11.626 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.042 -6.158 10.803 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.176 -7.679 10.898 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.201 -8.276 7.351 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.497 -8.748 8.902 1.00 0.00 H new ATOM 873 N LYS A 54 2.443 -3.583 10.424 1.00 0.00 N ATOM 874 CA LYS A 54 2.395 -2.204 9.917 1.00 0.00 C ATOM 875 C LYS A 54 3.178 -1.980 8.610 1.00 0.00 C ATOM 876 O LYS A 54 2.806 -1.116 7.815 1.00 0.00 O ATOM 877 CB LYS A 54 2.898 -1.262 11.025 1.00 0.00 C ATOM 878 CG LYS A 54 1.931 -1.198 12.219 1.00 0.00 C ATOM 879 CD LYS A 54 2.399 -0.158 13.245 1.00 0.00 C ATOM 880 CE LYS A 54 1.431 -0.118 14.434 1.00 0.00 C ATOM 881 NZ LYS A 54 1.857 0.869 15.462 1.00 0.00 N ATOM 0 H LYS A 54 2.954 -3.671 11.302 1.00 0.00 H new ATOM 0 HA LYS A 54 1.358 -1.988 9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.876 -1.599 11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.032 -0.261 10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.930 -0.945 11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.865 -2.178 12.692 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.403 -0.404 13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.455 0.825 12.778 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.431 0.135 14.080 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.369 -1.108 14.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.177 0.866 16.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.800 0.614 15.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.892 1.818 15.038 1.00 0.00 H new ATOM 895 N LYS A 55 4.244 -2.746 8.356 1.00 0.00 N ATOM 896 CA LYS A 55 5.034 -2.643 7.116 1.00 0.00 C ATOM 897 C LYS A 55 4.241 -3.156 5.902 1.00 0.00 C ATOM 898 O LYS A 55 4.072 -2.434 4.920 1.00 0.00 O ATOM 899 CB LYS A 55 6.373 -3.394 7.269 1.00 0.00 C ATOM 900 CG LYS A 55 7.494 -2.578 7.933 1.00 0.00 C ATOM 901 CD LYS A 55 7.309 -2.324 9.436 1.00 0.00 C ATOM 902 CE LYS A 55 8.547 -1.591 9.971 1.00 0.00 C ATOM 903 NZ LYS A 55 8.527 -1.447 11.450 1.00 0.00 N ATOM 0 H LYS A 55 4.587 -3.457 9.002 1.00 0.00 H new ATOM 0 HA LYS A 55 5.251 -1.590 6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.203 -4.297 7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.710 -3.713 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.440 -3.098 7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.573 -1.617 7.425 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.413 -1.728 9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.172 -3.268 9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.444 -2.135 9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.607 -0.603 9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.383 -0.946 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.686 -0.905 11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.497 -2.389 11.890 1.00 0.00 H new ATOM 917 N ASP A 56 3.681 -4.363 5.988 1.00 0.00 N ATOM 918 CA ASP A 56 2.912 -4.963 4.894 1.00 0.00 C ATOM 919 C ASP A 56 1.548 -4.285 4.687 1.00 0.00 C ATOM 920 O ASP A 56 1.075 -4.194 3.557 1.00 0.00 O ATOM 921 CB ASP A 56 2.769 -6.466 5.149 1.00 0.00 C ATOM 922 CG ASP A 56 2.226 -7.213 3.922 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.936 -7.272 2.890 1.00 0.00 O ATOM 924 OD2 ASP A 56 1.103 -7.762 4.013 1.00 0.00 O ATOM 0 H ASP A 56 3.747 -4.953 6.817 1.00 0.00 H new ATOM 0 HA ASP A 56 3.457 -4.806 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.739 -6.880 5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.101 -6.627 5.995 1.00 0.00 H new ATOM 929 N ALA A 57 0.949 -3.721 5.744 1.00 0.00 N ATOM 930 CA ALA A 57 -0.238 -2.868 5.618 1.00 0.00 C ATOM 931 C ALA A 57 0.051 -1.603 4.781 1.00 0.00 C ATOM 932 O ALA A 57 -0.737 -1.274 3.891 1.00 0.00 O ATOM 933 CB ALA A 57 -0.772 -2.541 7.020 1.00 0.00 C ATOM 0 H ALA A 57 1.272 -3.842 6.704 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.013 -3.407 5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.655 -1.907 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.038 -3.465 7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.003 -2.018 7.589 1.00 0.00 H new ATOM 939 N GLN A 58 1.197 -0.941 4.999 1.00 0.00 N ATOM 940 CA GLN A 58 1.651 0.183 4.167 1.00 0.00 C ATOM 941 C GLN A 58 1.939 -0.252 2.727 1.00 0.00 C ATOM 942 O GLN A 58 1.557 0.455 1.801 1.00 0.00 O ATOM 943 CB GLN A 58 2.906 0.842 4.761 1.00 0.00 C ATOM 944 CG GLN A 58 2.622 1.716 5.990 1.00 0.00 C ATOM 945 CD GLN A 58 3.920 2.126 6.683 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.541 3.136 6.375 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.388 1.343 7.632 1.00 0.00 N ATOM 0 H GLN A 58 1.837 -1.171 5.759 1.00 0.00 H new ATOM 0 HA GLN A 58 0.837 0.908 4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.618 0.064 5.036 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.382 1.453 3.994 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.070 2.606 5.688 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.989 1.171 6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.878 0.500 7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.261 1.579 8.104 1.00 0.00 H new ATOM 956 N SER A 59 2.548 -1.420 2.507 1.00 0.00 N ATOM 957 CA SER A 59 2.757 -1.957 1.153 1.00 0.00 C ATOM 958 C SER A 59 1.437 -2.212 0.404 1.00 0.00 C ATOM 959 O SER A 59 1.350 -1.951 -0.795 1.00 0.00 O ATOM 960 CB SER A 59 3.583 -3.248 1.201 1.00 0.00 C ATOM 961 OG SER A 59 4.889 -2.997 1.702 1.00 0.00 O ATOM 0 H SER A 59 2.908 -2.017 3.251 1.00 0.00 H new ATOM 0 HA SER A 59 3.305 -1.193 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.082 -3.982 1.832 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.649 -3.679 0.202 1.00 0.00 H new ATOM 0 HG SER A 59 5.397 -3.835 1.725 1.00 0.00 H new ATOM 967 N ASN A 60 0.380 -2.649 1.097 1.00 0.00 N ATOM 968 CA ASN A 60 -0.948 -2.818 0.496 1.00 0.00 C ATOM 969 C ASN A 60 -1.632 -1.462 0.220 1.00 0.00 C ATOM 970 O ASN A 60 -2.258 -1.299 -0.829 1.00 0.00 O ATOM 971 CB ASN A 60 -1.817 -3.728 1.379 1.00 0.00 C ATOM 972 CG ASN A 60 -1.523 -5.208 1.160 1.00 0.00 C ATOM 973 OD1 ASN A 60 -2.099 -5.844 0.287 1.00 0.00 O ATOM 974 ND2 ASN A 60 -0.644 -5.800 1.943 1.00 0.00 N ATOM 0 H ASN A 60 0.420 -2.895 2.086 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.824 -3.301 -0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.650 -3.479 2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.869 -3.535 1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.441 -6.792 1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.167 -5.266 2.669 1.00 0.00 H new ATOM 981 N ALA A 61 -1.465 -0.465 1.100 1.00 0.00 N ATOM 982 CA ALA A 61 -1.959 0.897 0.870 1.00 0.00 C ATOM 983 C ALA A 61 -1.264 1.556 -0.331 1.00 0.00 C ATOM 984 O ALA A 61 -1.930 2.111 -1.207 1.00 0.00 O ATOM 985 CB ALA A 61 -1.779 1.714 2.156 1.00 0.00 C ATOM 0 H ALA A 61 -0.983 -0.582 1.991 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.019 0.858 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.143 2.729 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.343 1.249 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.722 1.745 2.422 1.00 0.00 H new ATOM 991 N ALA A 62 0.063 1.417 -0.415 1.00 0.00 N ATOM 992 CA ALA A 62 0.869 1.858 -1.548 1.00 0.00 C ATOM 993 C ALA A 62 0.438 1.170 -2.846 1.00 0.00 C ATOM 994 O ALA A 62 0.186 1.856 -3.837 1.00 0.00 O ATOM 995 CB ALA A 62 2.340 1.581 -1.227 1.00 0.00 C ATOM 0 H ALA A 62 0.616 0.983 0.324 1.00 0.00 H new ATOM 0 HA ALA A 62 0.724 2.927 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.962 1.904 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.626 2.129 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.481 0.513 -1.061 1.00 0.00 H new ATOM 1001 N ARG A 63 0.272 -0.160 -2.828 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.215 -0.926 -3.979 1.00 0.00 C ATOM 1003 C ARG A 63 -1.548 -0.386 -4.493 1.00 0.00 C ATOM 1004 O ARG A 63 -1.686 -0.202 -5.696 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.319 -2.422 -3.624 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.792 -3.316 -4.787 1.00 0.00 C ATOM 1007 CD ARG A 63 0.109 -3.240 -6.030 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.358 -4.134 -7.104 1.00 0.00 N ATOM 1009 CZ ARG A 63 -0.184 -5.450 -7.176 1.00 0.00 C ATOM 1010 NH1 ARG A 63 0.389 -6.143 -6.215 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.589 -6.115 -8.234 1.00 0.00 N ATOM 0 H ARG A 63 0.473 -0.735 -2.010 1.00 0.00 H new ATOM 0 HA ARG A 63 0.508 -0.813 -4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.656 -2.772 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.008 -2.538 -2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.837 -4.350 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.806 -3.028 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.135 -2.214 -6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.130 -3.506 -5.755 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.868 -3.698 -7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.720 -5.671 -5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.502 -7.152 -6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.039 -5.622 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.453 -7.125 -8.285 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.497 -0.065 -3.618 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.814 0.438 -4.028 1.00 0.00 C ATOM 1027 C ASP A 64 -3.779 1.891 -4.549 1.00 0.00 C ATOM 1028 O ASP A 64 -4.547 2.234 -5.448 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.796 0.258 -2.867 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.248 0.595 -3.245 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.696 0.212 -4.355 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.928 1.212 -2.394 1.00 0.00 O ATOM 0 H ASP A 64 -2.380 -0.144 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.153 -0.149 -4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.749 -0.773 -2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.487 0.892 -2.036 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.844 2.726 -4.070 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.631 4.064 -4.635 1.00 0.00 C ATOM 1039 C PHE A 65 -1.847 4.017 -5.959 1.00 0.00 C ATOM 1040 O PHE A 65 -2.185 4.737 -6.893 1.00 0.00 O ATOM 1041 CB PHE A 65 -1.963 4.988 -3.611 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.002 6.449 -4.029 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -1.000 6.976 -4.867 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -3.076 7.271 -3.634 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -1.077 8.308 -5.311 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -3.154 8.602 -4.082 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.156 9.118 -4.925 1.00 0.00 C ATOM 0 H PHE A 65 -2.224 2.497 -3.293 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.611 4.479 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.460 4.876 -2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.926 4.681 -3.472 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.170 6.355 -5.170 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.843 6.877 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.304 8.708 -5.950 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.981 9.227 -3.778 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.219 10.137 -5.276 1.00 0.00 H new ATOM 1057 N VAL A 66 -0.853 3.136 -6.088 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.147 2.894 -7.362 1.00 0.00 C ATOM 1059 C VAL A 66 -1.107 2.317 -8.403 1.00 0.00 C ATOM 1060 O VAL A 66 -1.112 2.760 -9.550 1.00 0.00 O ATOM 1061 CB VAL A 66 1.072 1.967 -7.171 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.705 1.535 -8.502 1.00 0.00 C ATOM 1063 CG2 VAL A 66 2.139 2.691 -6.343 1.00 0.00 C ATOM 0 H VAL A 66 -0.509 2.566 -5.315 1.00 0.00 H new ATOM 0 HA VAL A 66 0.225 3.853 -7.722 1.00 0.00 H new ATOM 0 HB VAL A 66 0.712 1.072 -6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.557 0.885 -8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.968 0.997 -9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.040 2.417 -9.049 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.000 2.037 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.450 3.597 -6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.727 2.954 -5.369 1.00 0.00 H new ATOM 1073 N ASN A 67 -1.986 1.403 -7.988 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.097 0.926 -8.815 1.00 0.00 C ATOM 1075 C ASN A 67 -3.974 2.107 -9.269 1.00 0.00 C ATOM 1076 O ASN A 67 -4.158 2.274 -10.470 1.00 0.00 O ATOM 1077 CB ASN A 67 -3.927 -0.148 -8.092 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.232 -1.502 -7.914 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -2.217 -1.821 -8.525 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -3.793 -2.360 -7.080 1.00 0.00 N ATOM 0 H ASN A 67 -1.947 0.971 -7.065 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.676 0.453 -9.702 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.205 0.232 -7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.852 -0.303 -8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.382 -3.284 -6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.637 -2.098 -6.570 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.402 3.015 -8.380 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.082 4.268 -8.763 1.00 0.00 C ATOM 1089 C TYR A 68 -4.308 5.102 -9.799 1.00 0.00 C ATOM 1090 O TYR A 68 -4.900 5.543 -10.784 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.428 5.088 -7.511 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.680 6.568 -7.749 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -6.898 7.001 -8.310 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.691 7.514 -7.415 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.135 8.373 -8.519 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -4.919 8.886 -7.625 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.151 9.323 -8.162 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.397 10.656 -8.305 1.00 0.00 O ATOM 0 H TYR A 68 -4.288 2.904 -7.373 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.007 3.984 -9.265 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.315 4.656 -7.048 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.613 4.986 -6.794 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.653 6.277 -8.581 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.752 7.184 -6.995 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.069 8.700 -8.952 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.153 9.605 -7.376 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.330 11.096 -7.432 1.00 0.00 H new ATOM 1108 N LEU A 69 -2.982 5.229 -9.670 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.143 5.901 -10.675 1.00 0.00 C ATOM 1110 C LEU A 69 -2.129 5.186 -12.041 1.00 0.00 C ATOM 1111 O LEU A 69 -1.897 5.846 -13.053 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.721 6.116 -10.133 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.600 7.037 -8.901 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.840 6.957 -8.376 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.974 8.492 -9.228 1.00 0.00 C ATOM 0 H LEU A 69 -2.460 4.871 -8.870 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.597 6.874 -10.862 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.300 5.144 -9.878 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.107 6.530 -10.933 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.302 6.698 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.946 7.602 -7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.069 5.929 -8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.530 7.283 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.874 9.104 -8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.309 8.873 -10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.004 8.532 -9.582 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.434 3.887 -12.107 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.691 3.158 -13.371 1.00 0.00 C ATOM 1129 C VAL A 70 -4.132 3.399 -13.858 1.00 0.00 C ATOM 1130 O VAL A 70 -4.336 3.618 -15.051 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.404 1.637 -13.262 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.615 0.907 -14.600 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.969 1.342 -12.793 1.00 0.00 C ATOM 0 H VAL A 70 -2.513 3.297 -11.279 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.993 3.559 -14.105 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.116 1.271 -12.522 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.402 -0.154 -14.473 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.648 1.033 -14.925 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.945 1.324 -15.352 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.820 0.264 -12.733 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.260 1.768 -13.503 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.809 1.785 -11.810 1.00 0.00 H new ATOM 1143 N ARG A 71 -5.119 3.454 -12.946 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.526 3.780 -13.260 1.00 0.00 C ATOM 1145 C ARG A 71 -6.679 5.179 -13.895 1.00 0.00 C ATOM 1146 O ARG A 71 -7.571 5.376 -14.722 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.434 3.674 -12.012 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.474 2.287 -11.340 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.253 2.315 -10.009 1.00 0.00 C ATOM 1150 NE ARG A 71 -7.877 1.185 -9.127 1.00 0.00 N ATOM 1151 CZ ARG A 71 -7.677 1.219 -7.807 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -7.824 2.312 -7.095 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -7.323 0.133 -7.156 1.00 0.00 N ATOM 0 H ARG A 71 -4.962 3.271 -11.955 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.846 3.038 -13.991 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.099 4.406 -11.277 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.449 3.950 -12.297 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.937 1.569 -12.017 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.456 1.942 -11.158 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.061 3.257 -9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.323 2.276 -10.213 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.757 0.279 -9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.102 3.182 -7.548 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.660 2.291 -6.088 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.199 -0.746 -7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.173 0.169 -6.148 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.792 6.131 -13.564 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.741 7.491 -14.158 1.00 0.00 C ATOM 1169 C ILE A 72 -4.582 7.707 -15.155 1.00 0.00 C ATOM 1170 O ILE A 72 -4.378 8.827 -15.621 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.793 8.595 -13.069 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.504 8.680 -12.219 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -7.040 8.409 -12.182 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.376 9.995 -11.442 1.00 0.00 C ATOM 0 H ILE A 72 -5.070 5.980 -12.860 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.645 7.576 -14.762 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.864 9.550 -13.589 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.485 7.847 -11.516 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.638 8.566 -12.872 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.065 9.190 -11.422 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.937 8.473 -12.798 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.000 7.433 -11.699 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.450 9.989 -10.867 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.364 10.831 -12.141 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.223 10.101 -10.765 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.818 6.659 -15.485 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.761 6.633 -16.516 1.00 0.00 C ATOM 1188 C ASN A 73 -1.500 7.474 -16.185 1.00 0.00 C ATOM 1189 O ASN A 73 -0.687 7.756 -17.067 1.00 0.00 O ATOM 1190 CB ASN A 73 -3.343 6.963 -17.907 1.00 0.00 C ATOM 1191 CG ASN A 73 -4.544 6.091 -18.269 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -4.427 4.887 -18.461 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -5.727 6.671 -18.375 1.00 0.00 N ATOM 0 H ASN A 73 -3.922 5.758 -15.019 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.390 5.608 -16.530 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.640 8.011 -17.932 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.566 6.834 -18.661 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.547 6.116 -18.618 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.819 7.674 -18.214 1.00 0.00 H new ATOM 1200 N GLU A 74 -1.306 7.848 -14.914 1.00 0.00 N ATOM 1201 CA GLU A 74 -0.105 8.529 -14.399 1.00 0.00 C ATOM 1202 C GLU A 74 1.072 7.568 -14.119 1.00 0.00 C ATOM 1203 O GLU A 74 2.210 8.016 -13.966 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.471 9.318 -13.128 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.180 10.651 -13.415 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.201 11.796 -13.732 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.795 11.594 -14.463 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.392 12.921 -13.216 1.00 0.00 O ATOM 0 H GLU A 74 -2.003 7.680 -14.189 1.00 0.00 H new ATOM 0 HA GLU A 74 0.240 9.208 -15.179 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.114 8.702 -12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.437 9.514 -12.558 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.862 10.520 -14.255 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.786 10.927 -12.552 1.00 0.00 H new ATOM 1215 N VAL A 75 0.819 6.255 -14.093 1.00 0.00 N ATOM 1216 CA VAL A 75 1.821 5.174 -14.019 1.00 0.00 C ATOM 1217 C VAL A 75 1.412 4.052 -14.979 1.00 0.00 C ATOM 1218 O VAL A 75 0.232 3.722 -15.073 1.00 0.00 O ATOM 1219 CB VAL A 75 1.948 4.615 -12.577 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.942 3.448 -12.472 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.485 5.662 -11.597 1.00 0.00 C ATOM 0 H VAL A 75 -0.135 5.895 -14.124 1.00 0.00 H new ATOM 0 HA VAL A 75 2.792 5.579 -14.303 1.00 0.00 H new ATOM 0 HB VAL A 75 0.934 4.300 -12.332 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.987 3.100 -11.440 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.614 2.632 -13.116 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.931 3.783 -12.786 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.557 5.225 -10.601 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.472 5.991 -11.921 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.809 6.516 -11.571 1.00 0.00 H new ATOM 1231 N LYS A 76 2.376 3.457 -15.688 1.00 0.00 N ATOM 1232 CA LYS A 76 2.160 2.224 -16.457 1.00 0.00 C ATOM 1233 C LYS A 76 2.325 0.988 -15.559 1.00 0.00 C ATOM 1234 O LYS A 76 3.328 0.857 -14.857 1.00 0.00 O ATOM 1235 CB LYS A 76 3.159 2.130 -17.622 1.00 0.00 C ATOM 1236 CG LYS A 76 2.900 3.154 -18.740 1.00 0.00 C ATOM 1237 CD LYS A 76 3.818 2.930 -19.956 1.00 0.00 C ATOM 1238 CE LYS A 76 3.580 1.554 -20.599 1.00 0.00 C ATOM 1239 NZ LYS A 76 4.514 1.262 -21.713 1.00 0.00 N ATOM 0 H LYS A 76 3.329 3.815 -15.746 1.00 0.00 H new ATOM 0 HA LYS A 76 1.144 2.253 -16.850 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.168 2.273 -17.236 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.119 1.126 -18.044 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.859 3.089 -19.056 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.053 4.161 -18.351 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.642 3.712 -20.694 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.860 3.012 -19.646 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.681 0.781 -19.837 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.556 1.505 -20.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.649 0.234 -21.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.119 1.629 -22.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.430 1.718 -21.527 1.00 0.00 H new ATOM 1253 N SER A 77 1.403 0.029 -15.636 1.00 0.00 N ATOM 1254 CA SER A 77 1.481 -1.237 -14.884 1.00 0.00 C ATOM 1255 C SER A 77 2.796 -2.001 -15.123 1.00 0.00 C ATOM 1256 O SER A 77 3.359 -2.561 -14.180 1.00 0.00 O ATOM 1257 CB SER A 77 0.279 -2.121 -15.236 1.00 0.00 C ATOM 1258 OG SER A 77 0.146 -2.263 -16.648 1.00 0.00 O ATOM 0 H SER A 77 0.573 0.103 -16.224 1.00 0.00 H new ATOM 0 HA SER A 77 1.461 -0.983 -13.824 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.398 -3.103 -14.778 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.631 -1.685 -14.823 1.00 0.00 H new ATOM 0 HG SER A 77 -0.626 -2.832 -16.848 1.00 0.00 H new ATOM 1264 N GLU A 78 3.356 -1.923 -16.338 1.00 0.00 N ATOM 1265 CA GLU A 78 4.638 -2.538 -16.723 1.00 0.00 C ATOM 1266 C GLU A 78 5.833 -2.096 -15.848 1.00 0.00 C ATOM 1267 O GLU A 78 6.825 -2.821 -15.758 1.00 0.00 O ATOM 1268 CB GLU A 78 4.956 -2.233 -18.199 1.00 0.00 C ATOM 1269 CG GLU A 78 3.909 -2.774 -19.183 1.00 0.00 C ATOM 1270 CD GLU A 78 4.392 -2.639 -20.636 1.00 0.00 C ATOM 1271 OE1 GLU A 78 4.317 -1.521 -21.201 1.00 0.00 O ATOM 1272 OE2 GLU A 78 4.848 -3.648 -21.223 1.00 0.00 O ATOM 0 H GLU A 78 2.917 -1.415 -17.106 1.00 0.00 H new ATOM 0 HA GLU A 78 4.508 -3.609 -16.568 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.038 -1.154 -18.328 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.928 -2.659 -18.447 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.704 -3.821 -18.961 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.972 -2.232 -19.056 1.00 0.00 H new ATOM 1279 N GLU A 79 5.739 -0.942 -15.172 1.00 0.00 N ATOM 1280 CA GLU A 79 6.773 -0.426 -14.265 1.00 0.00 C ATOM 1281 C GLU A 79 6.591 -0.879 -12.805 1.00 0.00 C ATOM 1282 O GLU A 79 7.527 -0.781 -12.012 1.00 0.00 O ATOM 1283 CB GLU A 79 6.758 1.112 -14.294 1.00 0.00 C ATOM 1284 CG GLU A 79 7.091 1.733 -15.658 1.00 0.00 C ATOM 1285 CD GLU A 79 8.509 1.382 -16.137 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.494 1.867 -15.532 1.00 0.00 O ATOM 1287 OE2 GLU A 79 8.649 0.640 -17.139 1.00 0.00 O ATOM 0 H GLU A 79 4.926 -0.330 -15.242 1.00 0.00 H new ATOM 0 HA GLU A 79 7.721 -0.830 -14.621 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.772 1.458 -13.984 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.471 1.482 -13.558 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.367 1.389 -16.396 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.991 2.817 -15.594 1.00 0.00 H new ATOM 1294 N VAL A 80 5.405 -1.372 -12.434 1.00 0.00 N ATOM 1295 CA VAL A 80 5.010 -1.621 -11.036 1.00 0.00 C ATOM 1296 C VAL A 80 5.615 -2.939 -10.515 1.00 0.00 C ATOM 1297 O VAL A 80 5.360 -3.987 -11.117 1.00 0.00 O ATOM 1298 CB VAL A 80 3.470 -1.636 -10.871 1.00 0.00 C ATOM 1299 CG1 VAL A 80 3.072 -1.857 -9.403 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.840 -0.315 -11.352 1.00 0.00 C ATOM 0 H VAL A 80 4.677 -1.615 -13.106 1.00 0.00 H new ATOM 0 HA VAL A 80 5.405 -0.798 -10.440 1.00 0.00 H new ATOM 0 HB VAL A 80 3.099 -2.459 -11.481 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.985 -1.863 -9.318 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.468 -2.812 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.480 -1.053 -8.790 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.759 -0.359 -11.222 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.242 0.513 -10.769 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.073 -0.163 -12.406 1.00 0.00 H new ATOM 1310 N PRO A 81 6.375 -2.928 -9.398 1.00 0.00 N ATOM 1311 CA PRO A 81 6.893 -4.139 -8.770 1.00 0.00 C ATOM 1312 C PRO A 81 5.788 -4.809 -7.944 1.00 0.00 C ATOM 1313 O PRO A 81 5.162 -4.177 -7.094 1.00 0.00 O ATOM 1314 CB PRO A 81 8.067 -3.675 -7.906 1.00 0.00 C ATOM 1315 CG PRO A 81 7.670 -2.260 -7.492 1.00 0.00 C ATOM 1316 CD PRO A 81 6.837 -1.752 -8.671 1.00 0.00 C ATOM 0 HA PRO A 81 7.223 -4.886 -9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.208 -4.322 -7.040 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.003 -3.682 -8.464 1.00 0.00 H new ATOM 0 HG2 PRO A 81 7.094 -2.261 -6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 81 8.545 -1.633 -7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.993 -1.158 -8.320 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.434 -1.108 -9.317 1.00 0.00 H new ATOM 1324 N ALA A 82 5.545 -6.098 -8.201 1.00 0.00 N ATOM 1325 CA ALA A 82 4.468 -6.868 -7.577 1.00 0.00 C ATOM 1326 C ALA A 82 4.807 -8.368 -7.488 1.00 0.00 C ATOM 1327 O ALA A 82 5.168 -8.989 -8.490 1.00 0.00 O ATOM 1328 CB ALA A 82 3.181 -6.627 -8.383 1.00 0.00 C ATOM 0 H ALA A 82 6.101 -6.643 -8.860 1.00 0.00 H new ATOM 0 HA ALA A 82 4.331 -6.533 -6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.362 -7.191 -7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.938 -5.564 -8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.329 -6.954 -9.412 1.00 0.00 H new ATOM 1334 N VAL A 83 4.642 -8.958 -6.299 1.00 0.00 N ATOM 1335 CA VAL A 83 4.776 -10.406 -6.042 1.00 0.00 C ATOM 1336 C VAL A 83 3.527 -11.214 -6.451 1.00 0.00 C ATOM 1337 O VAL A 83 3.560 -12.445 -6.464 1.00 0.00 O ATOM 1338 CB VAL A 83 5.124 -10.717 -4.557 1.00 0.00 C ATOM 1339 CG1 VAL A 83 6.449 -11.484 -4.512 1.00 0.00 C ATOM 1340 CG2 VAL A 83 5.229 -9.502 -3.614 1.00 0.00 C ATOM 0 H VAL A 83 4.404 -8.429 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 83 5.606 -10.721 -6.674 1.00 0.00 H new ATOM 0 HB VAL A 83 4.279 -11.297 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.705 -11.708 -3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.350 -12.414 -5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.237 -10.876 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.475 -9.842 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.010 -8.831 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.276 -8.973 -3.595 1.00 0.00 H new ATOM 1350 N GLY A 84 2.427 -10.525 -6.785 1.00 0.00 N ATOM 1351 CA GLY A 84 1.127 -11.101 -7.140 1.00 0.00 C ATOM 1352 C GLY A 84 -0.006 -10.077 -7.067 1.00 0.00 C ATOM 1353 O GLY A 84 0.228 -8.868 -7.127 1.00 0.00 O ATOM 0 H GLY A 84 2.421 -9.505 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.178 -11.511 -8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.906 -11.931 -6.470 1.00 0.00 H new ATOM 1357 N ILE A 85 -1.242 -10.558 -6.932 1.00 0.00 N ATOM 1358 CA ILE A 85 -2.463 -9.742 -6.795 1.00 0.00 C ATOM 1359 C ILE A 85 -2.939 -9.770 -5.332 1.00 0.00 C ATOM 1360 O ILE A 85 -3.032 -10.845 -4.738 1.00 0.00 O ATOM 1361 CB ILE A 85 -3.560 -10.269 -7.756 1.00 0.00 C ATOM 1362 CG1 ILE A 85 -3.089 -10.405 -9.225 1.00 0.00 C ATOM 1363 CG2 ILE A 85 -4.823 -9.387 -7.683 1.00 0.00 C ATOM 1364 CD1 ILE A 85 -2.577 -9.117 -9.886 1.00 0.00 C ATOM 0 H ILE A 85 -1.434 -11.560 -6.914 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.249 -8.708 -7.065 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.795 -11.276 -7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.295 -11.151 -9.264 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.918 -10.790 -9.818 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.578 -9.776 -8.366 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.214 -9.395 -6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.570 -8.365 -7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.274 -9.330 -10.911 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.370 -8.370 -9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.722 -8.736 -9.327 1.00 0.00 H new ATOM 1376 N VAL A 86 -3.256 -8.603 -4.759 1.00 0.00 N ATOM 1377 CA VAL A 86 -3.717 -8.423 -3.372 1.00 0.00 C ATOM 1378 C VAL A 86 -4.804 -7.330 -3.308 1.00 0.00 C ATOM 1379 O VAL A 86 -4.623 -6.278 -3.928 1.00 0.00 O ATOM 1380 CB VAL A 86 -2.556 -8.072 -2.411 1.00 0.00 C ATOM 1381 CG1 VAL A 86 -1.699 -9.305 -2.083 1.00 0.00 C ATOM 1382 CG2 VAL A 86 -1.633 -6.939 -2.903 1.00 0.00 C ATOM 0 H VAL A 86 -3.197 -7.721 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.137 -9.374 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.057 -7.709 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.894 -9.019 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.320 -10.064 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.274 -9.708 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.849 -6.762 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.180 -7.225 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.216 -6.028 -3.039 1.00 0.00 H new ATOM 1392 N PRO A 87 -5.937 -7.558 -2.610 1.00 0.00 N ATOM 1393 CA PRO A 87 -7.069 -6.633 -2.600 1.00 0.00 C ATOM 1394 C PRO A 87 -6.947 -5.563 -1.495 1.00 0.00 C ATOM 1395 O PRO A 87 -6.341 -5.824 -0.450 1.00 0.00 O ATOM 1396 CB PRO A 87 -8.293 -7.523 -2.359 1.00 0.00 C ATOM 1397 CG PRO A 87 -7.743 -8.619 -1.447 1.00 0.00 C ATOM 1398 CD PRO A 87 -6.317 -8.811 -1.964 1.00 0.00 C ATOM 0 HA PRO A 87 -7.128 -6.073 -3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.106 -6.973 -1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.685 -7.931 -3.290 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.756 -8.317 -0.400 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.326 -9.537 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.637 -9.047 -1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.269 -9.641 -2.669 1.00 0.00 H new ATOM 1406 N PRO A 88 -7.556 -4.374 -1.683 1.00 0.00 N ATOM 1407 CA PRO A 88 -7.713 -3.366 -0.637 1.00 0.00 C ATOM 1408 C PRO A 88 -8.860 -3.749 0.328 1.00 0.00 C ATOM 1409 O PRO A 88 -9.631 -4.666 0.022 1.00 0.00 O ATOM 1410 CB PRO A 88 -8.024 -2.075 -1.401 1.00 0.00 C ATOM 1411 CG PRO A 88 -8.830 -2.569 -2.599 1.00 0.00 C ATOM 1412 CD PRO A 88 -8.170 -3.909 -2.922 1.00 0.00 C ATOM 0 HA PRO A 88 -6.826 -3.266 -0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.595 -1.374 -0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.114 -1.561 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.886 -2.687 -2.355 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.772 -1.877 -3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.906 -4.627 -3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.422 -3.795 -3.707 1.00 0.00 H new ATOM 1420 N PRO A 89 -9.013 -3.052 1.475 1.00 0.00 N ATOM 1421 CA PRO A 89 -10.154 -3.198 2.377 1.00 0.00 C ATOM 1422 C PRO A 89 -11.494 -3.046 1.641 1.00 0.00 C ATOM 1423 O PRO A 89 -11.708 -2.079 0.910 1.00 0.00 O ATOM 1424 CB PRO A 89 -9.975 -2.120 3.453 1.00 0.00 C ATOM 1425 CG PRO A 89 -8.464 -1.909 3.489 1.00 0.00 C ATOM 1426 CD PRO A 89 -8.074 -2.085 2.023 1.00 0.00 C ATOM 0 HA PRO A 89 -10.182 -4.196 2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.503 -1.202 3.195 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -10.359 -2.448 4.419 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.201 -0.920 3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.967 -2.636 4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.131 -1.138 1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.048 -2.441 1.932 1.00 0.00 H new ATOM 1434 N SER A 90 -12.392 -4.015 1.828 1.00 0.00 N ATOM 1435 CA SER A 90 -13.656 -4.160 1.085 1.00 0.00 C ATOM 1436 C SER A 90 -14.576 -5.213 1.746 1.00 0.00 C ATOM 1437 O SER A 90 -14.219 -5.817 2.766 1.00 0.00 O ATOM 1438 CB SER A 90 -13.356 -4.521 -0.386 1.00 0.00 C ATOM 1439 OG SER A 90 -14.501 -4.340 -1.213 1.00 0.00 O ATOM 0 H SER A 90 -12.259 -4.749 2.524 1.00 0.00 H new ATOM 0 HA SER A 90 -14.189 -3.209 1.109 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.539 -3.901 -0.754 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.023 -5.557 -0.447 1.00 0.00 H new ATOM 0 HG SER A 90 -14.277 -4.575 -2.138 1.00 0.00 H new ATOM 1445 N GLY A 91 -15.765 -5.445 1.173 1.00 0.00 N ATOM 1446 CA GLY A 91 -16.776 -6.391 1.667 1.00 0.00 C ATOM 1447 C GLY A 91 -17.801 -5.750 2.623 1.00 0.00 C ATOM 1448 O GLY A 91 -17.981 -4.526 2.581 1.00 0.00 O ATOM 0 H GLY A 91 -16.060 -4.963 0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -17.304 -6.823 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.275 -7.211 2.181 1.00 0.00 H new ATOM 1452 N PRO A 92 -18.500 -6.560 3.448 1.00 0.00 N ATOM 1453 CA PRO A 92 -19.521 -6.102 4.393 1.00 0.00 C ATOM 1454 C PRO A 92 -19.009 -5.067 5.404 1.00 0.00 C ATOM 1455 O PRO A 92 -17.831 -5.041 5.754 1.00 0.00 O ATOM 1456 CB PRO A 92 -20.021 -7.363 5.111 1.00 0.00 C ATOM 1457 CG PRO A 92 -19.756 -8.473 4.098 1.00 0.00 C ATOM 1458 CD PRO A 92 -18.454 -8.016 3.443 1.00 0.00 C ATOM 0 HA PRO A 92 -20.313 -5.585 3.852 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -19.484 -7.534 6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -21.080 -7.291 5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -19.649 -9.445 4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -20.565 -8.563 3.373 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.588 -8.382 3.995 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -18.371 -8.402 2.427 1.00 0.00 H new ATOM 1466 N SER A 93 -19.921 -4.236 5.915 1.00 0.00 N ATOM 1467 CA SER A 93 -19.646 -3.092 6.808 1.00 0.00 C ATOM 1468 C SER A 93 -19.320 -3.477 8.274 1.00 0.00 C ATOM 1469 O SER A 93 -19.469 -2.661 9.186 1.00 0.00 O ATOM 1470 CB SER A 93 -20.838 -2.115 6.760 1.00 0.00 C ATOM 1471 OG SER A 93 -21.186 -1.762 5.423 1.00 0.00 O ATOM 0 H SER A 93 -20.915 -4.341 5.713 1.00 0.00 H new ATOM 0 HA SER A 93 -18.738 -2.620 6.432 1.00 0.00 H new ATOM 0 HB2 SER A 93 -21.699 -2.569 7.251 1.00 0.00 H new ATOM 0 HB3 SER A 93 -20.591 -1.213 7.320 1.00 0.00 H new ATOM 0 HG SER A 93 -21.946 -1.143 5.435 1.00 0.00 H new ATOM 1477 N SER A 94 -18.922 -4.730 8.521 1.00 0.00 N ATOM 1478 CA SER A 94 -18.493 -5.294 9.823 1.00 0.00 C ATOM 1479 C SER A 94 -19.628 -5.466 10.863 1.00 0.00 C ATOM 1480 O SER A 94 -19.369 -5.838 12.012 1.00 0.00 O ATOM 1481 CB SER A 94 -17.300 -4.516 10.418 1.00 0.00 C ATOM 1482 OG SER A 94 -16.199 -4.465 9.515 1.00 0.00 O ATOM 0 H SER A 94 -18.886 -5.427 7.777 1.00 0.00 H new ATOM 0 HA SER A 94 -18.166 -6.307 9.589 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.614 -3.502 10.666 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.985 -4.989 11.349 1.00 0.00 H new ATOM 0 HG SER A 94 -15.463 -3.964 9.924 1.00 0.00 H new ATOM 1488 N GLY A 95 -20.888 -5.222 10.473 1.00 0.00 N ATOM 1489 CA GLY A 95 -22.089 -5.372 11.311 1.00 0.00 C ATOM 1490 C GLY A 95 -23.372 -4.959 10.590 1.00 0.00 C ATOM 1491 O GLY A 95 -24.020 -3.987 11.039 1.00 0.00 O ATOM 1492 OXT GLY A 95 -23.723 -5.610 9.581 1.00 0.00 O ATOM 0 H GLY A 95 -21.108 -4.903 9.530 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -22.176 -6.411 11.630 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -21.975 -4.770 12.212 1.00 0.00 H new TER 1496 GLY A 95