USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -139:sc= -0.0857 (180deg=-0.502) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00545) USER MOD Single : A 8 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.00073) USER MOD Single : A 13 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 19 CYS SG : rot 81:sc= 0.0411 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -61:sc= 1.02 USER MOD Single : A 27 HIS : no HD1:sc= -1.12 K(o=-0.71,f=-7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= -0.544 (180deg=-2.1!) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 1.77 (180deg=0.656) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0883) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.3!) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.15) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -124:sc= -0.881 (180deg=-1.73) USER MOD Single : A 69 GLN : amide:sc= -0.887 K(o=-0.89,f=-1.8) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 72 SER OG : rot 6:sc= 0.552 USER MOD Single : A 79 SER OG : rot 180:sc= -1.69! USER MOD Single : A 83 THR OG1 : rot -149:sc= 0.513 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= -1.61! (180deg=-1.81!) USER MOD Single : A 92 SER OG : rot 60:sc= 0.552 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -120:sc= -0.635 (180deg=-2.22) USER MOD Single : A 108 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00716) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.740 0.383 -2.499 1.00 0.00 N ATOM 2 CA MET A 1 -18.757 0.609 -1.447 1.00 0.00 C ATOM 3 C MET A 1 -18.731 2.057 -0.967 1.00 0.00 C ATOM 4 O MET A 1 -19.639 2.833 -1.263 1.00 0.00 O ATOM 5 CB MET A 1 -18.534 -0.336 -0.261 1.00 0.00 C ATOM 6 CG MET A 1 -18.852 -1.791 -0.564 1.00 0.00 C ATOM 7 SD MET A 1 -20.571 -2.043 -1.055 1.00 0.00 S ATOM 8 CE MET A 1 -21.437 -1.506 0.421 1.00 0.00 C ATOM 0 H1 MET A 1 -17.799 -0.600 -2.834 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.913 1.031 -3.294 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.792 0.559 -2.109 1.00 0.00 H new ATOM 0 HA MET A 1 -19.735 0.402 -1.882 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.495 -0.261 0.060 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.151 -0.006 0.575 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.196 -2.144 -1.360 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.638 -2.396 0.317 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.268 -2.182 0.621 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.751 -1.513 1.268 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.819 -0.496 0.272 1.00 0.00 H new ATOM 20 N ALA A 2 -17.686 2.419 -0.237 1.00 0.00 N ATOM 21 CA ALA A 2 -17.553 3.767 0.293 1.00 0.00 C ATOM 22 C ALA A 2 -16.110 4.045 0.677 1.00 0.00 C ATOM 23 O ALA A 2 -15.507 3.299 1.451 1.00 0.00 O ATOM 24 CB ALA A 2 -18.459 3.960 1.501 1.00 0.00 C ATOM 0 H ALA A 2 -16.915 1.795 0.002 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.853 4.470 -0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.345 4.975 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.496 3.797 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.186 3.247 2.279 1.00 0.00 H new ATOM 30 N PHE A 3 -15.557 5.112 0.120 1.00 0.00 N ATOM 31 CA PHE A 3 -14.192 5.509 0.423 1.00 0.00 C ATOM 32 C PHE A 3 -14.125 6.122 1.815 1.00 0.00 C ATOM 33 O PHE A 3 -13.198 5.845 2.579 1.00 0.00 O ATOM 34 CB PHE A 3 -13.677 6.502 -0.622 1.00 0.00 C ATOM 35 CG PHE A 3 -13.657 5.946 -2.018 1.00 0.00 C ATOM 36 CD1 PHE A 3 -12.762 4.948 -2.367 1.00 0.00 C ATOM 37 CD2 PHE A 3 -14.534 6.419 -2.979 1.00 0.00 C ATOM 38 CE1 PHE A 3 -12.741 4.434 -3.648 1.00 0.00 C ATOM 39 CE2 PHE A 3 -14.517 5.909 -4.264 1.00 0.00 C ATOM 40 CZ PHE A 3 -13.620 4.915 -4.599 1.00 0.00 C ATOM 0 H PHE A 3 -16.035 5.719 -0.546 1.00 0.00 H new ATOM 0 HA PHE A 3 -13.557 4.624 0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -14.303 7.394 -0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -12.669 6.814 -0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.072 4.567 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -15.240 7.195 -2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -12.038 3.656 -3.907 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -15.205 6.288 -5.005 1.00 0.00 H new ATOM 0 HZ PHE A 3 -13.605 4.514 -5.602 1.00 0.00 H new ATOM 50 N ALA A 4 -15.121 6.956 2.122 1.00 0.00 N ATOM 51 CA ALA A 4 -15.276 7.558 3.443 1.00 0.00 C ATOM 52 C ALA A 4 -13.972 8.186 3.934 1.00 0.00 C ATOM 53 O ALA A 4 -13.332 8.953 3.211 1.00 0.00 O ATOM 54 CB ALA A 4 -15.787 6.515 4.429 1.00 0.00 C ATOM 0 H ALA A 4 -15.844 7.232 1.457 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.008 8.362 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -15.901 6.970 5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.751 6.136 4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.075 5.692 4.490 1.00 0.00 H new ATOM 60 N GLY A 5 -13.590 7.876 5.165 1.00 0.00 N ATOM 61 CA GLY A 5 -12.302 8.301 5.666 1.00 0.00 C ATOM 62 C GLY A 5 -11.302 7.164 5.659 1.00 0.00 C ATOM 63 O GLY A 5 -10.180 7.310 6.146 1.00 0.00 O ATOM 0 H GLY A 5 -14.151 7.337 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.926 9.122 5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.413 8.683 6.681 1.00 0.00 H new ATOM 67 N ILE A 6 -11.713 6.026 5.099 1.00 0.00 N ATOM 68 CA ILE A 6 -10.822 4.884 4.936 1.00 0.00 C ATOM 69 C ILE A 6 -9.665 5.276 4.025 1.00 0.00 C ATOM 70 O ILE A 6 -8.539 4.802 4.175 1.00 0.00 O ATOM 71 CB ILE A 6 -11.573 3.658 4.363 1.00 0.00 C ATOM 72 CG1 ILE A 6 -12.612 3.153 5.367 1.00 0.00 C ATOM 73 CG2 ILE A 6 -10.607 2.538 4.004 1.00 0.00 C ATOM 74 CD1 ILE A 6 -12.010 2.636 6.658 1.00 0.00 C ATOM 0 H ILE A 6 -12.660 5.873 4.751 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.436 4.600 5.915 1.00 0.00 H new ATOM 0 HB ILE A 6 -12.081 3.974 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -13.305 3.962 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.195 2.357 4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.164 1.691 3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.900 2.894 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.064 2.226 4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.806 2.295 7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.339 1.805 6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.451 3.435 7.144 1.00 0.00 H new ATOM 86 N LEU A 7 -9.953 6.161 3.085 1.00 0.00 N ATOM 87 CA LEU A 7 -8.913 6.796 2.306 1.00 0.00 C ATOM 88 C LEU A 7 -9.310 8.222 1.982 1.00 0.00 C ATOM 89 O LEU A 7 -10.496 8.546 1.901 1.00 0.00 O ATOM 90 CB LEU A 7 -8.579 5.999 1.025 1.00 0.00 C ATOM 91 CG LEU A 7 -9.696 5.806 -0.021 1.00 0.00 C ATOM 92 CD1 LEU A 7 -10.010 7.097 -0.768 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.284 4.741 -1.016 1.00 0.00 C ATOM 0 H LEU A 7 -10.900 6.454 2.846 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.003 6.812 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.742 6.495 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.231 5.011 1.328 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.596 5.500 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.802 6.914 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.337 7.857 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.116 7.444 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.075 4.607 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.367 5.048 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.113 3.800 -0.492 1.00 0.00 H new ATOM 105 N ASN A 8 -8.320 9.076 1.838 1.00 0.00 N ATOM 106 CA ASN A 8 -8.549 10.424 1.367 1.00 0.00 C ATOM 107 C ASN A 8 -8.193 10.486 -0.104 1.00 0.00 C ATOM 108 O ASN A 8 -7.021 10.414 -0.471 1.00 0.00 O ATOM 109 CB ASN A 8 -7.721 11.435 2.163 1.00 0.00 C ATOM 110 CG ASN A 8 -8.092 11.476 3.637 1.00 0.00 C ATOM 111 OD1 ASN A 8 -7.273 11.834 4.486 1.00 0.00 O ATOM 112 ND2 ASN A 8 -9.318 11.092 3.960 1.00 0.00 N ATOM 0 H ASN A 8 -7.344 8.859 2.042 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.598 10.683 1.508 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.664 11.187 2.067 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.856 12.427 1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.610 11.086 4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.970 10.802 3.231 1.00 0.00 H new ATOM 119 N ASP A 9 -9.230 10.588 -0.935 1.00 0.00 N ATOM 120 CA ASP A 9 -9.093 10.578 -2.395 1.00 0.00 C ATOM 121 C ASP A 9 -7.992 11.515 -2.869 1.00 0.00 C ATOM 122 O ASP A 9 -7.262 11.198 -3.802 1.00 0.00 O ATOM 123 CB ASP A 9 -10.427 10.964 -3.042 1.00 0.00 C ATOM 124 CG ASP A 9 -10.296 11.292 -4.517 1.00 0.00 C ATOM 125 OD1 ASP A 9 -10.288 10.357 -5.345 1.00 0.00 O ATOM 126 OD2 ASP A 9 -10.208 12.491 -4.855 1.00 0.00 O ATOM 0 H ASP A 9 -10.194 10.680 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.815 9.568 -2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.135 10.144 -2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.843 11.825 -2.519 1.00 0.00 H new ATOM 131 N ALA A 10 -7.876 12.654 -2.211 1.00 0.00 N ATOM 132 CA ALA A 10 -6.853 13.638 -2.532 1.00 0.00 C ATOM 133 C ALA A 10 -5.454 13.085 -2.286 1.00 0.00 C ATOM 134 O ALA A 10 -4.588 13.172 -3.150 1.00 0.00 O ATOM 135 CB ALA A 10 -7.078 14.887 -1.700 1.00 0.00 C ATOM 0 H ALA A 10 -8.486 12.925 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.929 13.884 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.313 15.626 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.062 15.299 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.021 14.634 -0.641 1.00 0.00 H new ATOM 141 N ASP A 11 -5.245 12.502 -1.111 1.00 0.00 N ATOM 142 CA ASP A 11 -3.929 11.987 -0.736 1.00 0.00 C ATOM 143 C ASP A 11 -3.574 10.744 -1.528 1.00 0.00 C ATOM 144 O ASP A 11 -2.424 10.557 -1.931 1.00 0.00 O ATOM 145 CB ASP A 11 -3.868 11.688 0.764 1.00 0.00 C ATOM 146 CG ASP A 11 -3.759 12.944 1.605 1.00 0.00 C ATOM 147 OD1 ASP A 11 -4.805 13.540 1.940 1.00 0.00 O ATOM 148 OD2 ASP A 11 -2.622 13.336 1.948 1.00 0.00 O ATOM 0 H ASP A 11 -5.967 12.373 -0.402 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.198 12.761 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.761 11.135 1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.013 11.044 0.968 1.00 0.00 H new ATOM 153 N ILE A 12 -4.564 9.901 -1.754 1.00 0.00 N ATOM 154 CA ILE A 12 -4.385 8.712 -2.568 1.00 0.00 C ATOM 155 C ILE A 12 -4.011 9.111 -3.995 1.00 0.00 C ATOM 156 O ILE A 12 -3.063 8.579 -4.575 1.00 0.00 O ATOM 157 CB ILE A 12 -5.665 7.837 -2.553 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.673 6.906 -1.333 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.800 7.022 -3.832 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.656 7.620 0.001 1.00 0.00 C ATOM 0 H ILE A 12 -5.507 10.018 -1.383 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.573 8.117 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.519 8.511 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.559 6.273 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.807 6.247 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.708 6.421 -3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.853 7.695 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.936 6.366 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.663 6.886 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.757 8.231 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.536 8.258 0.084 1.00 0.00 H new ATOM 172 N THR A 13 -4.739 10.079 -4.531 1.00 0.00 N ATOM 173 CA THR A 13 -4.466 10.603 -5.859 1.00 0.00 C ATOM 174 C THR A 13 -3.101 11.286 -5.913 1.00 0.00 C ATOM 175 O THR A 13 -2.385 11.169 -6.902 1.00 0.00 O ATOM 176 CB THR A 13 -5.568 11.594 -6.283 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.818 10.903 -6.396 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.240 12.273 -7.600 1.00 0.00 C ATOM 0 H THR A 13 -5.530 10.520 -4.061 1.00 0.00 H new ATOM 0 HA THR A 13 -4.456 9.763 -6.554 1.00 0.00 H new ATOM 0 HB THR A 13 -5.635 12.367 -5.517 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.184 10.741 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.042 12.963 -7.863 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.304 12.824 -7.502 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.138 11.520 -8.382 1.00 0.00 H new ATOM 186 N ALA A 14 -2.739 11.980 -4.840 1.00 0.00 N ATOM 187 CA ALA A 14 -1.458 12.672 -4.770 1.00 0.00 C ATOM 188 C ALA A 14 -0.298 11.696 -4.927 1.00 0.00 C ATOM 189 O ALA A 14 0.629 11.940 -5.699 1.00 0.00 O ATOM 190 CB ALA A 14 -1.335 13.433 -3.461 1.00 0.00 C ATOM 0 H ALA A 14 -3.316 12.078 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.415 13.384 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.373 13.944 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.138 14.167 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.406 12.735 -2.627 1.00 0.00 H new ATOM 196 N ALA A 15 -0.363 10.583 -4.204 1.00 0.00 N ATOM 197 CA ALA A 15 0.684 9.570 -4.263 1.00 0.00 C ATOM 198 C ALA A 15 0.695 8.871 -5.621 1.00 0.00 C ATOM 199 O ALA A 15 1.756 8.600 -6.184 1.00 0.00 O ATOM 200 CB ALA A 15 0.504 8.559 -3.141 1.00 0.00 C ATOM 0 H ALA A 15 -1.130 10.360 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 15 1.646 10.066 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.293 7.809 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.557 9.069 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.467 8.073 -3.241 1.00 0.00 H new ATOM 206 N LEU A 16 -0.494 8.592 -6.145 1.00 0.00 N ATOM 207 CA LEU A 16 -0.628 7.940 -7.445 1.00 0.00 C ATOM 208 C LEU A 16 -0.116 8.837 -8.568 1.00 0.00 C ATOM 209 O LEU A 16 0.550 8.372 -9.490 1.00 0.00 O ATOM 210 CB LEU A 16 -2.088 7.559 -7.705 1.00 0.00 C ATOM 211 CG LEU A 16 -2.609 6.368 -6.895 1.00 0.00 C ATOM 212 CD1 LEU A 16 -4.119 6.258 -7.024 1.00 0.00 C ATOM 213 CD2 LEU A 16 -1.951 5.079 -7.361 1.00 0.00 C ATOM 0 H LEU A 16 -1.381 8.807 -5.689 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.021 7.035 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.715 8.424 -7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.204 7.335 -8.765 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.357 6.530 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.473 5.407 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.584 7.171 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.385 6.118 -8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.333 4.243 -6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.176 4.916 -8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.872 5.153 -7.228 1.00 0.00 H new ATOM 225 N ALA A 17 -0.426 10.121 -8.484 1.00 0.00 N ATOM 226 CA ALA A 17 -0.011 11.080 -9.498 1.00 0.00 C ATOM 227 C ALA A 17 1.472 11.400 -9.376 1.00 0.00 C ATOM 228 O ALA A 17 2.118 11.781 -10.349 1.00 0.00 O ATOM 229 CB ALA A 17 -0.837 12.350 -9.391 1.00 0.00 C ATOM 0 H ALA A 17 -0.967 10.526 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.179 10.632 -10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.516 13.058 -10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.891 12.112 -9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.698 12.793 -8.405 1.00 0.00 H new ATOM 235 N ALA A 18 2.013 11.227 -8.176 1.00 0.00 N ATOM 236 CA ALA A 18 3.428 11.470 -7.933 1.00 0.00 C ATOM 237 C ALA A 18 4.268 10.361 -8.550 1.00 0.00 C ATOM 238 O ALA A 18 5.481 10.501 -8.720 1.00 0.00 O ATOM 239 CB ALA A 18 3.700 11.578 -6.441 1.00 0.00 C ATOM 0 H ALA A 18 1.491 10.919 -7.355 1.00 0.00 H new ATOM 0 HA ALA A 18 3.704 12.415 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.762 11.760 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.122 12.403 -6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.411 10.649 -5.950 1.00 0.00 H new ATOM 245 N CYS A 19 3.607 9.265 -8.887 1.00 0.00 N ATOM 246 CA CYS A 19 4.264 8.126 -9.508 1.00 0.00 C ATOM 247 C CYS A 19 3.722 7.907 -10.918 1.00 0.00 C ATOM 248 O CYS A 19 3.876 6.831 -11.488 1.00 0.00 O ATOM 249 CB CYS A 19 4.035 6.870 -8.664 1.00 0.00 C ATOM 250 SG CYS A 19 4.503 7.051 -6.927 1.00 0.00 S ATOM 0 H CYS A 19 2.606 9.140 -8.739 1.00 0.00 H new ATOM 0 HA CYS A 19 5.333 8.328 -9.569 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.981 6.596 -8.718 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.601 6.046 -9.098 1.00 0.00 H new ATOM 0 HG CYS A 19 3.551 7.658 -6.282 1.00 0.00 H new ATOM 256 N LYS A 20 3.094 8.944 -11.469 1.00 0.00 N ATOM 257 CA LYS A 20 2.425 8.858 -12.764 1.00 0.00 C ATOM 258 C LYS A 20 3.426 8.573 -13.883 1.00 0.00 C ATOM 259 O LYS A 20 3.113 7.879 -14.851 1.00 0.00 O ATOM 260 CB LYS A 20 1.683 10.167 -13.038 1.00 0.00 C ATOM 261 CG LYS A 20 0.791 10.129 -14.266 1.00 0.00 C ATOM 262 CD LYS A 20 0.103 11.468 -14.507 1.00 0.00 C ATOM 263 CE LYS A 20 -0.840 11.835 -13.368 1.00 0.00 C ATOM 264 NZ LYS A 20 -1.532 13.130 -13.611 1.00 0.00 N ATOM 0 H LYS A 20 3.035 9.864 -11.032 1.00 0.00 H new ATOM 0 HA LYS A 20 1.713 8.033 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.075 10.416 -12.168 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.413 10.968 -13.157 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.386 9.864 -15.140 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.038 9.350 -14.145 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.856 12.248 -14.621 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.456 11.426 -15.442 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.581 11.046 -13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.277 11.894 -12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.163 13.341 -12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.827 13.888 -13.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.090 13.066 -14.486 1.00 0.00 H new ATOM 278 N ALA A 21 4.626 9.115 -13.743 1.00 0.00 N ATOM 279 CA ALA A 21 5.677 8.901 -14.723 1.00 0.00 C ATOM 280 C ALA A 21 6.468 7.643 -14.392 1.00 0.00 C ATOM 281 O ALA A 21 6.859 7.431 -13.243 1.00 0.00 O ATOM 282 CB ALA A 21 6.600 10.109 -14.781 1.00 0.00 C ATOM 0 H ALA A 21 4.896 9.708 -12.958 1.00 0.00 H new ATOM 0 HA ALA A 21 5.215 8.769 -15.702 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.382 9.934 -15.520 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.026 10.992 -15.062 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.054 10.268 -13.803 1.00 0.00 H new ATOM 288 N GLU A 22 6.688 6.809 -15.398 1.00 0.00 N ATOM 289 CA GLU A 22 7.442 5.575 -15.227 1.00 0.00 C ATOM 290 C GLU A 22 8.858 5.881 -14.757 1.00 0.00 C ATOM 291 O GLU A 22 9.645 6.495 -15.476 1.00 0.00 O ATOM 292 CB GLU A 22 7.489 4.781 -16.535 1.00 0.00 C ATOM 293 CG GLU A 22 6.133 4.602 -17.200 1.00 0.00 C ATOM 294 CD GLU A 22 5.805 5.720 -18.171 1.00 0.00 C ATOM 295 OE1 GLU A 22 5.303 6.778 -17.733 1.00 0.00 O ATOM 296 OE2 GLU A 22 6.058 5.543 -19.382 1.00 0.00 O ATOM 0 H GLU A 22 6.352 6.966 -16.348 1.00 0.00 H new ATOM 0 HA GLU A 22 6.938 4.972 -14.472 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.159 5.286 -17.231 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.917 3.798 -16.336 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.116 3.650 -17.730 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.360 4.554 -16.433 1.00 0.00 H new ATOM 303 N GLY A 23 9.174 5.455 -13.545 1.00 0.00 N ATOM 304 CA GLY A 23 10.463 5.766 -12.962 1.00 0.00 C ATOM 305 C GLY A 23 10.330 6.742 -11.812 1.00 0.00 C ATOM 306 O GLY A 23 11.245 6.899 -11.005 1.00 0.00 O ATOM 0 H GLY A 23 8.559 4.897 -12.952 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.935 4.849 -12.610 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.117 6.188 -13.725 1.00 0.00 H new ATOM 310 N SER A 24 9.172 7.384 -11.731 1.00 0.00 N ATOM 311 CA SER A 24 8.885 8.332 -10.665 1.00 0.00 C ATOM 312 C SER A 24 8.095 7.647 -9.554 1.00 0.00 C ATOM 313 O SER A 24 7.442 8.301 -8.738 1.00 0.00 O ATOM 314 CB SER A 24 8.107 9.532 -11.226 1.00 0.00 C ATOM 315 OG SER A 24 7.859 10.511 -10.229 1.00 0.00 O ATOM 0 H SER A 24 8.410 7.263 -12.398 1.00 0.00 H new ATOM 0 HA SER A 24 9.824 8.694 -10.246 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.671 9.981 -12.044 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.160 9.189 -11.642 1.00 0.00 H new ATOM 0 HG SER A 24 7.323 10.117 -9.509 1.00 0.00 H new ATOM 321 N PHE A 25 8.162 6.324 -9.525 1.00 0.00 N ATOM 322 CA PHE A 25 7.452 5.553 -8.522 1.00 0.00 C ATOM 323 C PHE A 25 8.230 5.534 -7.217 1.00 0.00 C ATOM 324 O PHE A 25 9.432 5.262 -7.197 1.00 0.00 O ATOM 325 CB PHE A 25 7.187 4.121 -9.008 1.00 0.00 C ATOM 326 CG PHE A 25 8.425 3.335 -9.349 1.00 0.00 C ATOM 327 CD1 PHE A 25 9.037 3.478 -10.584 1.00 0.00 C ATOM 328 CD2 PHE A 25 8.971 2.445 -8.436 1.00 0.00 C ATOM 329 CE1 PHE A 25 10.167 2.751 -10.902 1.00 0.00 C ATOM 330 CE2 PHE A 25 10.102 1.718 -8.749 1.00 0.00 C ATOM 331 CZ PHE A 25 10.701 1.871 -9.982 1.00 0.00 C ATOM 0 H PHE A 25 8.701 5.765 -10.186 1.00 0.00 H new ATOM 0 HA PHE A 25 6.489 6.034 -8.349 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.634 3.586 -8.236 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.545 4.163 -9.888 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.625 4.167 -11.307 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.506 2.319 -7.469 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.632 2.871 -11.869 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.518 1.029 -8.028 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.586 1.303 -10.227 1.00 0.00 H new ATOM 341 N ASP A 26 7.548 5.855 -6.136 1.00 0.00 N ATOM 342 CA ASP A 26 8.141 5.780 -4.816 1.00 0.00 C ATOM 343 C ASP A 26 7.295 4.882 -3.929 1.00 0.00 C ATOM 344 O ASP A 26 6.358 5.334 -3.281 1.00 0.00 O ATOM 345 CB ASP A 26 8.279 7.174 -4.190 1.00 0.00 C ATOM 346 CG ASP A 26 9.320 8.041 -4.878 1.00 0.00 C ATOM 347 OD1 ASP A 26 10.531 7.819 -4.654 1.00 0.00 O ATOM 348 OD2 ASP A 26 8.938 8.959 -5.634 1.00 0.00 O ATOM 0 H ASP A 26 6.578 6.172 -6.146 1.00 0.00 H new ATOM 0 HA ASP A 26 9.142 5.358 -4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.314 7.679 -4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.543 7.068 -3.138 1.00 0.00 H new ATOM 353 N HIS A 27 7.639 3.595 -3.938 1.00 0.00 N ATOM 354 CA HIS A 27 6.939 2.561 -3.167 1.00 0.00 C ATOM 355 C HIS A 27 6.685 2.985 -1.732 1.00 0.00 C ATOM 356 O HIS A 27 5.551 2.971 -1.244 1.00 0.00 O ATOM 357 CB HIS A 27 7.773 1.266 -3.189 1.00 0.00 C ATOM 358 CG HIS A 27 7.458 0.285 -2.095 1.00 0.00 C ATOM 359 ND1 HIS A 27 6.386 -0.578 -2.134 1.00 0.00 N ATOM 360 CD2 HIS A 27 8.093 0.038 -0.922 1.00 0.00 C ATOM 361 CE1 HIS A 27 6.375 -1.307 -1.035 1.00 0.00 C ATOM 362 NE2 HIS A 27 7.401 -0.954 -0.286 1.00 0.00 N ATOM 0 H HIS A 27 8.420 3.234 -4.486 1.00 0.00 H new ATOM 0 HA HIS A 27 5.966 2.397 -3.631 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.626 0.774 -4.150 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.828 1.531 -3.125 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.981 0.534 -0.558 1.00 0.00 H new ATOM 0 HE1 HIS A 27 5.647 -2.066 -0.790 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.639 -1.356 0.621 1.00 0.00 H new ATOM 371 N LYS A 28 7.747 3.355 -1.071 1.00 0.00 N ATOM 372 CA LYS A 28 7.696 3.655 0.333 1.00 0.00 C ATOM 373 C LYS A 28 6.978 4.972 0.568 1.00 0.00 C ATOM 374 O LYS A 28 6.098 5.063 1.424 1.00 0.00 O ATOM 375 CB LYS A 28 9.113 3.707 0.846 1.00 0.00 C ATOM 376 CG LYS A 28 9.227 3.918 2.345 1.00 0.00 C ATOM 377 CD LYS A 28 10.676 3.934 2.793 1.00 0.00 C ATOM 378 CE LYS A 28 10.795 4.299 4.259 1.00 0.00 C ATOM 379 NZ LYS A 28 12.203 4.276 4.730 1.00 0.00 N ATOM 0 H LYS A 28 8.671 3.457 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 28 7.139 2.886 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.617 2.777 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.642 4.512 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.750 4.859 2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.692 3.125 2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.122 2.954 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.237 4.649 2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.376 5.292 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.203 3.604 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.236 4.532 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.596 3.322 4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.764 4.958 4.181 1.00 0.00 H new ATOM 393 N ALA A 29 7.343 5.980 -0.220 1.00 0.00 N ATOM 394 CA ALA A 29 6.693 7.278 -0.147 1.00 0.00 C ATOM 395 C ALA A 29 5.201 7.141 -0.403 1.00 0.00 C ATOM 396 O ALA A 29 4.405 7.867 0.176 1.00 0.00 O ATOM 397 CB ALA A 29 7.308 8.256 -1.131 1.00 0.00 C ATOM 0 H ALA A 29 8.086 5.919 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 29 6.843 7.671 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.801 9.218 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.366 8.384 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.199 7.870 -2.144 1.00 0.00 H new ATOM 403 N PHE A 30 4.834 6.201 -1.263 1.00 0.00 N ATOM 404 CA PHE A 30 3.437 5.917 -1.547 1.00 0.00 C ATOM 405 C PHE A 30 2.684 5.595 -0.264 1.00 0.00 C ATOM 406 O PHE A 30 1.759 6.312 0.105 1.00 0.00 O ATOM 407 CB PHE A 30 3.320 4.752 -2.540 1.00 0.00 C ATOM 408 CG PHE A 30 1.905 4.378 -2.886 1.00 0.00 C ATOM 409 CD1 PHE A 30 1.184 5.120 -3.807 1.00 0.00 C ATOM 410 CD2 PHE A 30 1.296 3.284 -2.289 1.00 0.00 C ATOM 411 CE1 PHE A 30 -0.116 4.778 -4.127 1.00 0.00 C ATOM 412 CE2 PHE A 30 -0.004 2.938 -2.605 1.00 0.00 C ATOM 413 CZ PHE A 30 -0.711 3.687 -3.525 1.00 0.00 C ATOM 0 H PHE A 30 5.493 5.618 -1.780 1.00 0.00 H new ATOM 0 HA PHE A 30 2.990 6.804 -1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.849 5.015 -3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.823 3.880 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.643 5.975 -4.280 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.845 2.695 -1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.667 5.364 -4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.466 2.083 -2.133 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.728 3.420 -3.773 1.00 0.00 H new ATOM 423 N PHE A 31 3.100 4.547 0.439 1.00 0.00 N ATOM 424 CA PHE A 31 2.364 4.101 1.623 1.00 0.00 C ATOM 425 C PHE A 31 2.429 5.111 2.768 1.00 0.00 C ATOM 426 O PHE A 31 1.444 5.296 3.486 1.00 0.00 O ATOM 427 CB PHE A 31 2.842 2.729 2.099 1.00 0.00 C ATOM 428 CG PHE A 31 2.593 1.639 1.099 1.00 0.00 C ATOM 429 CD1 PHE A 31 1.308 1.178 0.872 1.00 0.00 C ATOM 430 CD2 PHE A 31 3.636 1.073 0.389 1.00 0.00 C ATOM 431 CE1 PHE A 31 1.067 0.175 -0.044 1.00 0.00 C ATOM 432 CE2 PHE A 31 3.401 0.070 -0.528 1.00 0.00 C ATOM 433 CZ PHE A 31 2.114 -0.381 -0.744 1.00 0.00 C ATOM 0 H PHE A 31 3.929 3.996 0.217 1.00 0.00 H new ATOM 0 HA PHE A 31 1.321 4.018 1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.909 2.778 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.338 2.479 3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.483 1.609 1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.645 1.420 0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.059 -0.173 -0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.224 -0.363 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.929 -1.168 -1.460 1.00 0.00 H new ATOM 443 N THR A 32 3.568 5.775 2.937 1.00 0.00 N ATOM 444 CA THR A 32 3.717 6.729 4.031 1.00 0.00 C ATOM 445 C THR A 32 2.992 8.044 3.735 1.00 0.00 C ATOM 446 O THR A 32 2.465 8.690 4.641 1.00 0.00 O ATOM 447 CB THR A 32 5.204 6.987 4.384 1.00 0.00 C ATOM 448 OG1 THR A 32 5.302 7.901 5.481 1.00 0.00 O ATOM 449 CG2 THR A 32 5.982 7.537 3.198 1.00 0.00 C ATOM 0 H THR A 32 4.390 5.673 2.341 1.00 0.00 H new ATOM 0 HA THR A 32 3.249 6.275 4.904 1.00 0.00 H new ATOM 0 HB THR A 32 5.641 6.028 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.246 8.055 5.695 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.019 7.703 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.946 6.822 2.376 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.539 8.480 2.878 1.00 0.00 H new ATOM 457 N LYS A 33 2.930 8.420 2.468 1.00 0.00 N ATOM 458 CA LYS A 33 2.239 9.639 2.069 1.00 0.00 C ATOM 459 C LYS A 33 0.741 9.389 1.984 1.00 0.00 C ATOM 460 O LYS A 33 -0.071 10.260 2.303 1.00 0.00 O ATOM 461 CB LYS A 33 2.768 10.118 0.718 1.00 0.00 C ATOM 462 CG LYS A 33 2.144 11.412 0.220 1.00 0.00 C ATOM 463 CD LYS A 33 2.554 11.737 -1.213 1.00 0.00 C ATOM 464 CE LYS A 33 3.904 12.446 -1.294 1.00 0.00 C ATOM 465 NZ LYS A 33 5.049 11.560 -0.948 1.00 0.00 N ATOM 0 H LYS A 33 3.349 7.900 1.697 1.00 0.00 H new ATOM 0 HA LYS A 33 2.423 10.411 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.847 10.255 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.596 9.337 -0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.058 11.335 0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.440 12.231 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.598 10.815 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.790 12.365 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.044 12.834 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.899 13.303 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.871 11.811 -1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.289 11.679 0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.787 10.569 -1.126 1.00 0.00 H new ATOM 479 N VAL A 34 0.387 8.188 1.556 1.00 0.00 N ATOM 480 CA VAL A 34 -1.002 7.810 1.386 1.00 0.00 C ATOM 481 C VAL A 34 -1.664 7.552 2.743 1.00 0.00 C ATOM 482 O VAL A 34 -2.884 7.652 2.885 1.00 0.00 O ATOM 483 CB VAL A 34 -1.109 6.565 0.468 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.326 5.282 1.249 1.00 0.00 C ATOM 485 CG2 VAL A 34 -2.189 6.756 -0.569 1.00 0.00 C ATOM 0 H VAL A 34 1.053 7.453 1.318 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.532 8.634 0.909 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.151 6.463 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.394 4.442 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.490 5.125 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.251 5.356 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.246 5.870 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.147 6.910 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.955 7.626 -1.183 1.00 0.00 H new ATOM 495 N GLY A 35 -0.839 7.240 3.742 1.00 0.00 N ATOM 496 CA GLY A 35 -1.334 7.027 5.089 1.00 0.00 C ATOM 497 C GLY A 35 -1.777 5.597 5.323 1.00 0.00 C ATOM 498 O GLY A 35 -2.627 5.335 6.171 1.00 0.00 O ATOM 0 H GLY A 35 0.170 7.131 3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.553 7.284 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.172 7.699 5.276 1.00 0.00 H new ATOM 502 N LEU A 36 -1.194 4.666 4.578 1.00 0.00 N ATOM 503 CA LEU A 36 -1.607 3.269 4.653 1.00 0.00 C ATOM 504 C LEU A 36 -0.764 2.495 5.670 1.00 0.00 C ATOM 505 O LEU A 36 -1.112 1.382 6.061 1.00 0.00 O ATOM 506 CB LEU A 36 -1.493 2.611 3.275 1.00 0.00 C ATOM 507 CG LEU A 36 -2.404 1.403 3.048 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.864 1.835 3.017 1.00 0.00 C ATOM 509 CD2 LEU A 36 -2.040 0.692 1.756 1.00 0.00 C ATOM 0 H LEU A 36 -0.438 4.851 3.918 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.646 3.243 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.714 3.360 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.460 2.299 3.124 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.262 0.709 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.498 0.963 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.125 2.302 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.015 2.549 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.700 -0.164 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.152 1.380 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.007 0.349 1.808 1.00 0.00 H new ATOM 521 N ALA A 37 0.333 3.097 6.111 1.00 0.00 N ATOM 522 CA ALA A 37 1.272 2.420 7.003 1.00 0.00 C ATOM 523 C ALA A 37 0.719 2.306 8.423 1.00 0.00 C ATOM 524 O ALA A 37 1.107 1.418 9.183 1.00 0.00 O ATOM 525 CB ALA A 37 2.608 3.147 7.006 1.00 0.00 C ATOM 0 H ALA A 37 0.596 4.052 5.867 1.00 0.00 H new ATOM 0 HA ALA A 37 1.419 1.407 6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.300 2.634 7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.019 3.158 5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.464 4.171 7.350 1.00 0.00 H new ATOM 531 N ALA A 38 -0.189 3.201 8.779 1.00 0.00 N ATOM 532 CA ALA A 38 -0.785 3.195 10.109 1.00 0.00 C ATOM 533 C ALA A 38 -2.211 2.655 10.071 1.00 0.00 C ATOM 534 O ALA A 38 -3.066 3.065 10.854 1.00 0.00 O ATOM 535 CB ALA A 38 -0.762 4.596 10.701 1.00 0.00 C ATOM 0 H ALA A 38 -0.531 3.942 8.167 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.194 2.534 10.743 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.210 4.579 11.695 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.269 4.943 10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.328 5.271 10.060 1.00 0.00 H new ATOM 541 N LYS A 39 -2.460 1.727 9.159 1.00 0.00 N ATOM 542 CA LYS A 39 -3.787 1.150 9.003 1.00 0.00 C ATOM 543 C LYS A 39 -3.990 -0.057 9.900 1.00 0.00 C ATOM 544 O LYS A 39 -3.089 -0.880 10.077 1.00 0.00 O ATOM 545 CB LYS A 39 -4.030 0.757 7.551 1.00 0.00 C ATOM 546 CG LYS A 39 -4.232 1.946 6.636 1.00 0.00 C ATOM 547 CD LYS A 39 -5.430 2.772 7.067 1.00 0.00 C ATOM 548 CE LYS A 39 -5.723 3.892 6.090 1.00 0.00 C ATOM 549 NZ LYS A 39 -7.024 4.539 6.386 1.00 0.00 N ATOM 0 H LYS A 39 -1.760 1.357 8.515 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.506 1.914 9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.183 0.172 7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.908 0.113 7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.337 2.568 6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.374 1.600 5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.304 2.127 7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.245 3.192 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.926 4.635 6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.733 3.498 5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.416 4.946 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.685 3.832 6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.885 5.294 7.088 1.00 0.00 H new ATOM 563 N SER A 40 -5.184 -0.148 10.464 1.00 0.00 N ATOM 564 CA SER A 40 -5.558 -1.267 11.307 1.00 0.00 C ATOM 565 C SER A 40 -5.968 -2.463 10.443 1.00 0.00 C ATOM 566 O SER A 40 -6.305 -2.284 9.269 1.00 0.00 O ATOM 567 CB SER A 40 -6.705 -0.848 12.229 1.00 0.00 C ATOM 568 OG SER A 40 -6.418 0.388 12.863 1.00 0.00 O ATOM 0 H SER A 40 -5.918 0.551 10.349 1.00 0.00 H new ATOM 0 HA SER A 40 -4.705 -1.564 11.917 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.627 -0.761 11.653 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.871 -1.618 12.982 1.00 0.00 H new ATOM 0 HG SER A 40 -7.165 0.638 13.446 1.00 0.00 H new ATOM 574 N PRO A 41 -5.922 -3.690 10.996 1.00 0.00 N ATOM 575 CA PRO A 41 -6.233 -4.923 10.256 1.00 0.00 C ATOM 576 C PRO A 41 -7.472 -4.819 9.363 1.00 0.00 C ATOM 577 O PRO A 41 -7.435 -5.232 8.207 1.00 0.00 O ATOM 578 CB PRO A 41 -6.460 -5.939 11.369 1.00 0.00 C ATOM 579 CG PRO A 41 -5.559 -5.485 12.463 1.00 0.00 C ATOM 580 CD PRO A 41 -5.541 -3.982 12.393 1.00 0.00 C ATOM 0 HA PRO A 41 -5.434 -5.179 9.561 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.502 -5.953 11.690 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.214 -6.949 11.043 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.922 -5.826 13.433 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.556 -5.893 12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.243 -3.540 13.100 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.555 -3.582 12.631 1.00 0.00 H new ATOM 588 N ALA A 42 -8.551 -4.248 9.894 1.00 0.00 N ATOM 589 CA ALA A 42 -9.809 -4.133 9.156 1.00 0.00 C ATOM 590 C ALA A 42 -9.629 -3.365 7.848 1.00 0.00 C ATOM 591 O ALA A 42 -10.157 -3.766 6.805 1.00 0.00 O ATOM 592 CB ALA A 42 -10.867 -3.462 10.017 1.00 0.00 C ATOM 0 H ALA A 42 -8.580 -3.856 10.835 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.137 -5.142 8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.797 -3.383 9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.035 -4.056 10.916 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.528 -2.465 10.299 1.00 0.00 H new ATOM 598 N ASP A 43 -8.862 -2.283 7.900 1.00 0.00 N ATOM 599 CA ASP A 43 -8.644 -1.447 6.724 1.00 0.00 C ATOM 600 C ASP A 43 -7.731 -2.180 5.754 1.00 0.00 C ATOM 601 O ASP A 43 -8.028 -2.298 4.573 1.00 0.00 O ATOM 602 CB ASP A 43 -8.035 -0.096 7.128 1.00 0.00 C ATOM 603 CG ASP A 43 -8.002 0.924 5.999 1.00 0.00 C ATOM 604 OD1 ASP A 43 -7.493 0.611 4.905 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.460 2.069 6.226 1.00 0.00 O ATOM 0 H ASP A 43 -8.381 -1.964 8.741 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.599 -1.249 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.606 0.315 7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.019 -0.259 7.488 1.00 0.00 H new ATOM 610 N ILE A 44 -6.643 -2.725 6.273 1.00 0.00 N ATOM 611 CA ILE A 44 -5.714 -3.486 5.450 1.00 0.00 C ATOM 612 C ILE A 44 -6.395 -4.734 4.867 1.00 0.00 C ATOM 613 O ILE A 44 -5.983 -5.257 3.832 1.00 0.00 O ATOM 614 CB ILE A 44 -4.440 -3.864 6.252 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.545 -2.634 6.442 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.651 -4.985 5.583 1.00 0.00 C ATOM 617 CD1 ILE A 44 -3.227 -1.897 5.158 1.00 0.00 C ATOM 0 H ILE A 44 -6.381 -2.656 7.256 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.405 -2.854 4.617 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.768 -4.228 7.226 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.033 -1.946 7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.611 -2.946 6.910 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.769 -5.215 6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.277 -5.874 5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.343 -4.668 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.590 -1.040 5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.709 -2.568 4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.153 -1.552 4.698 1.00 0.00 H new ATOM 629 N LYS A 45 -7.464 -5.188 5.510 1.00 0.00 N ATOM 630 CA LYS A 45 -8.223 -6.321 5.004 1.00 0.00 C ATOM 631 C LYS A 45 -8.956 -5.940 3.721 1.00 0.00 C ATOM 632 O LYS A 45 -8.884 -6.650 2.717 1.00 0.00 O ATOM 633 CB LYS A 45 -9.217 -6.826 6.050 1.00 0.00 C ATOM 634 CG LYS A 45 -9.814 -8.175 5.695 1.00 0.00 C ATOM 635 CD LYS A 45 -8.742 -9.254 5.655 1.00 0.00 C ATOM 636 CE LYS A 45 -9.289 -10.577 5.152 1.00 0.00 C ATOM 637 NZ LYS A 45 -10.376 -11.095 6.018 1.00 0.00 N ATOM 0 H LYS A 45 -7.822 -4.790 6.378 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.522 -7.126 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.715 -6.899 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.020 -6.097 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.577 -8.443 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.309 -8.114 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.925 -8.930 5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.326 -9.389 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.664 -10.451 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.482 -11.309 5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.640 -12.052 5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.048 -11.128 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.203 -10.469 5.949 1.00 0.00 H new ATOM 651 N LYS A 46 -9.647 -4.808 3.726 1.00 0.00 N ATOM 652 CA LYS A 46 -10.283 -4.354 2.500 1.00 0.00 C ATOM 653 C LYS A 46 -9.208 -3.977 1.489 1.00 0.00 C ATOM 654 O LYS A 46 -9.425 -4.050 0.287 1.00 0.00 O ATOM 655 CB LYS A 46 -11.289 -3.208 2.745 1.00 0.00 C ATOM 656 CG LYS A 46 -10.750 -2.009 3.515 1.00 0.00 C ATOM 657 CD LYS A 46 -9.939 -1.065 2.637 1.00 0.00 C ATOM 658 CE LYS A 46 -10.810 -0.318 1.641 1.00 0.00 C ATOM 659 NZ LYS A 46 -10.028 0.698 0.889 1.00 0.00 N ATOM 0 H LYS A 46 -9.779 -4.205 4.538 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.877 -5.172 2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.658 -2.861 1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.145 -3.610 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.583 -1.462 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.126 -2.360 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.413 -0.348 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.180 -1.633 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.255 -1.026 0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.631 0.169 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.652 1.190 0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.624 1.387 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.260 0.229 0.368 1.00 0.00 H new ATOM 673 N VAL A 47 -8.029 -3.613 1.990 1.00 0.00 N ATOM 674 CA VAL A 47 -6.877 -3.367 1.135 1.00 0.00 C ATOM 675 C VAL A 47 -6.437 -4.659 0.447 1.00 0.00 C ATOM 676 O VAL A 47 -6.002 -4.633 -0.699 1.00 0.00 O ATOM 677 CB VAL A 47 -5.697 -2.743 1.912 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.460 -2.639 1.036 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.078 -1.369 2.438 1.00 0.00 C ATOM 0 H VAL A 47 -7.850 -3.483 2.986 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.185 -2.646 0.378 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.467 -3.396 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.645 -2.196 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.168 -3.634 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.678 -2.012 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.236 -0.942 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.337 -0.718 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.935 -1.460 3.106 1.00 0.00 H new ATOM 689 N PHE A 48 -6.563 -5.788 1.143 1.00 0.00 N ATOM 690 CA PHE A 48 -6.370 -7.099 0.516 1.00 0.00 C ATOM 691 C PHE A 48 -7.244 -7.203 -0.726 1.00 0.00 C ATOM 692 O PHE A 48 -6.808 -7.679 -1.777 1.00 0.00 O ATOM 693 CB PHE A 48 -6.676 -8.234 1.519 1.00 0.00 C ATOM 694 CG PHE A 48 -7.669 -9.288 1.063 1.00 0.00 C ATOM 695 CD1 PHE A 48 -7.368 -10.168 0.030 1.00 0.00 C ATOM 696 CD2 PHE A 48 -8.900 -9.405 1.687 1.00 0.00 C ATOM 697 CE1 PHE A 48 -8.272 -11.132 -0.367 1.00 0.00 C ATOM 698 CE2 PHE A 48 -9.808 -10.371 1.295 1.00 0.00 C ATOM 699 CZ PHE A 48 -9.493 -11.234 0.267 1.00 0.00 C ATOM 0 H PHE A 48 -6.796 -5.824 2.135 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.328 -7.204 0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.739 -8.732 1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.052 -7.785 2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.413 -10.096 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.154 -8.731 2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.024 -11.806 -1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.763 -10.450 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.201 -11.989 -0.042 1.00 0.00 H new ATOM 709 N GLU A 49 -8.470 -6.725 -0.602 1.00 0.00 N ATOM 710 CA GLU A 49 -9.399 -6.724 -1.722 1.00 0.00 C ATOM 711 C GLU A 49 -9.012 -5.668 -2.763 1.00 0.00 C ATOM 712 O GLU A 49 -9.482 -5.709 -3.895 1.00 0.00 O ATOM 713 CB GLU A 49 -10.824 -6.495 -1.214 1.00 0.00 C ATOM 714 CG GLU A 49 -11.244 -7.506 -0.158 1.00 0.00 C ATOM 715 CD GLU A 49 -12.667 -7.319 0.315 1.00 0.00 C ATOM 716 OE1 GLU A 49 -13.582 -7.893 -0.312 1.00 0.00 O ATOM 717 OE2 GLU A 49 -12.882 -6.617 1.326 1.00 0.00 O ATOM 0 H GLU A 49 -8.846 -6.333 0.261 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.352 -7.696 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.899 -5.490 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.517 -6.545 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.132 -8.512 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.571 -7.430 0.696 1.00 0.00 H new ATOM 724 N ILE A 50 -8.165 -4.721 -2.371 1.00 0.00 N ATOM 725 CA ILE A 50 -7.643 -3.719 -3.298 1.00 0.00 C ATOM 726 C ILE A 50 -6.731 -4.356 -4.352 1.00 0.00 C ATOM 727 O ILE A 50 -6.923 -4.137 -5.546 1.00 0.00 O ATOM 728 CB ILE A 50 -6.884 -2.593 -2.540 1.00 0.00 C ATOM 729 CG1 ILE A 50 -7.847 -1.590 -1.897 1.00 0.00 C ATOM 730 CG2 ILE A 50 -5.931 -1.853 -3.454 1.00 0.00 C ATOM 731 CD1 ILE A 50 -9.277 -2.052 -1.817 1.00 0.00 C ATOM 0 H ILE A 50 -7.824 -4.625 -1.415 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.497 -3.275 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.313 -3.085 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.496 -1.364 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.812 -0.659 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.418 -1.074 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.198 -2.551 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.490 -1.400 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.884 -1.278 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.653 -2.249 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.332 -2.965 -1.224 1.00 0.00 H new ATOM 743 N ILE A 51 -5.754 -5.157 -3.917 1.00 0.00 N ATOM 744 CA ILE A 51 -4.856 -5.815 -4.867 1.00 0.00 C ATOM 745 C ILE A 51 -5.596 -6.939 -5.577 1.00 0.00 C ATOM 746 O ILE A 51 -5.289 -7.265 -6.721 1.00 0.00 O ATOM 747 CB ILE A 51 -3.521 -6.359 -4.248 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.753 -7.005 -2.857 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.482 -5.246 -4.178 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.693 -6.030 -1.693 1.00 0.00 C ATOM 0 H ILE A 51 -5.568 -5.362 -2.935 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.552 -5.040 -5.571 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.141 -7.145 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.727 -7.494 -2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.005 -7.783 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.560 -5.636 -3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.283 -4.871 -5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.859 -4.435 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.866 -6.566 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.711 -5.558 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.459 -5.265 -1.819 1.00 0.00 H new ATOM 762 N ASP A 52 -6.596 -7.513 -4.909 1.00 0.00 N ATOM 763 CA ASP A 52 -7.434 -8.518 -5.549 1.00 0.00 C ATOM 764 C ASP A 52 -8.588 -7.825 -6.275 1.00 0.00 C ATOM 765 O ASP A 52 -9.747 -7.972 -5.885 1.00 0.00 O ATOM 766 CB ASP A 52 -8.027 -9.510 -4.542 1.00 0.00 C ATOM 767 CG ASP A 52 -8.379 -10.846 -5.184 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.923 -11.125 -6.325 1.00 0.00 O ATOM 769 OD2 ASP A 52 -9.125 -11.625 -4.562 1.00 0.00 O ATOM 0 H ASP A 52 -6.841 -7.302 -3.941 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.802 -9.072 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.314 -9.674 -3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.922 -9.078 -4.094 1.00 0.00 H new ATOM 774 N GLN A 53 -8.270 -7.072 -7.323 1.00 0.00 N ATOM 775 CA GLN A 53 -9.268 -6.279 -8.042 1.00 0.00 C ATOM 776 C GLN A 53 -10.385 -7.165 -8.600 1.00 0.00 C ATOM 777 O GLN A 53 -11.548 -6.757 -8.669 1.00 0.00 O ATOM 778 CB GLN A 53 -8.592 -5.485 -9.167 1.00 0.00 C ATOM 779 CG GLN A 53 -9.523 -4.522 -9.891 1.00 0.00 C ATOM 780 CD GLN A 53 -9.961 -5.025 -11.253 1.00 0.00 C ATOM 781 OE1 GLN A 53 -10.032 -6.228 -11.498 1.00 0.00 O ATOM 782 NE2 GLN A 53 -10.267 -4.104 -12.148 1.00 0.00 N ATOM 0 H GLN A 53 -7.324 -6.992 -7.697 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.723 -5.581 -7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.757 -4.922 -8.750 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.175 -6.184 -9.891 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.405 -4.347 -9.275 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.021 -3.562 -10.010 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.196 -3.115 -11.907 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.575 -4.381 -13.080 1.00 0.00 H new ATOM 791 N ASP A 54 -10.025 -8.381 -8.979 1.00 0.00 N ATOM 792 CA ASP A 54 -10.987 -9.348 -9.503 1.00 0.00 C ATOM 793 C ASP A 54 -11.786 -9.990 -8.378 1.00 0.00 C ATOM 794 O ASP A 54 -12.864 -10.531 -8.617 1.00 0.00 O ATOM 795 CB ASP A 54 -10.289 -10.472 -10.280 1.00 0.00 C ATOM 796 CG ASP A 54 -9.535 -9.999 -11.502 1.00 0.00 C ATOM 797 OD1 ASP A 54 -10.183 -9.547 -12.471 1.00 0.00 O ATOM 798 OD2 ASP A 54 -8.291 -10.109 -11.514 1.00 0.00 O ATOM 0 H ASP A 54 -9.067 -8.727 -8.934 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.649 -8.794 -10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.595 -10.984 -9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.035 -11.205 -10.587 1.00 0.00 H new ATOM 803 N LYS A 55 -11.256 -9.917 -7.154 1.00 0.00 N ATOM 804 CA LYS A 55 -11.852 -10.607 -6.008 1.00 0.00 C ATOM 805 C LYS A 55 -11.965 -12.103 -6.284 1.00 0.00 C ATOM 806 O LYS A 55 -13.059 -12.663 -6.346 1.00 0.00 O ATOM 807 CB LYS A 55 -13.219 -10.013 -5.669 1.00 0.00 C ATOM 808 CG LYS A 55 -13.157 -8.774 -4.790 1.00 0.00 C ATOM 809 CD LYS A 55 -12.664 -9.101 -3.389 1.00 0.00 C ATOM 810 CE LYS A 55 -13.572 -10.106 -2.696 1.00 0.00 C ATOM 811 NZ LYS A 55 -13.144 -10.374 -1.301 1.00 0.00 N ATOM 0 H LYS A 55 -10.414 -9.386 -6.932 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.200 -10.466 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.734 -9.762 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.819 -10.772 -5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.495 -8.038 -5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.146 -8.320 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.652 -9.501 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.614 -8.187 -2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.595 -9.730 -2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.576 -11.039 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.748 -11.113 -0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.154 -10.693 -1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.229 -9.503 -0.738 1.00 0.00 H new ATOM 825 N SER A 56 -10.822 -12.745 -6.458 1.00 0.00 N ATOM 826 CA SER A 56 -10.781 -14.141 -6.855 1.00 0.00 C ATOM 827 C SER A 56 -9.964 -14.974 -5.873 1.00 0.00 C ATOM 828 O SER A 56 -9.717 -16.156 -6.114 1.00 0.00 O ATOM 829 CB SER A 56 -10.174 -14.243 -8.248 1.00 0.00 C ATOM 830 OG SER A 56 -8.900 -13.620 -8.280 1.00 0.00 O ATOM 0 H SER A 56 -9.905 -12.318 -6.329 1.00 0.00 H new ATOM 0 HA SER A 56 -11.798 -14.532 -6.858 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.081 -15.290 -8.535 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.835 -13.771 -8.975 1.00 0.00 H new ATOM 0 HG SER A 56 -8.522 -13.695 -9.181 1.00 0.00 H new ATOM 836 N ASP A 57 -9.527 -14.333 -4.787 1.00 0.00 N ATOM 837 CA ASP A 57 -8.719 -14.976 -3.740 1.00 0.00 C ATOM 838 C ASP A 57 -7.272 -15.160 -4.192 1.00 0.00 C ATOM 839 O ASP A 57 -6.440 -15.679 -3.447 1.00 0.00 O ATOM 840 CB ASP A 57 -9.308 -16.324 -3.298 1.00 0.00 C ATOM 841 CG ASP A 57 -10.660 -16.182 -2.630 1.00 0.00 C ATOM 842 OD1 ASP A 57 -10.705 -15.779 -1.450 1.00 0.00 O ATOM 843 OD2 ASP A 57 -11.687 -16.476 -3.280 1.00 0.00 O ATOM 0 H ASP A 57 -9.723 -13.349 -4.605 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.736 -14.306 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.403 -16.976 -4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.617 -16.809 -2.609 1.00 0.00 H new ATOM 848 N PHE A 58 -6.981 -14.742 -5.418 1.00 0.00 N ATOM 849 CA PHE A 58 -5.612 -14.710 -5.919 1.00 0.00 C ATOM 850 C PHE A 58 -5.332 -13.341 -6.514 1.00 0.00 C ATOM 851 O PHE A 58 -6.119 -12.824 -7.316 1.00 0.00 O ATOM 852 CB PHE A 58 -5.361 -15.799 -6.966 1.00 0.00 C ATOM 853 CG PHE A 58 -5.655 -17.188 -6.473 1.00 0.00 C ATOM 854 CD1 PHE A 58 -4.742 -17.860 -5.675 1.00 0.00 C ATOM 855 CD2 PHE A 58 -6.843 -17.819 -6.803 1.00 0.00 C ATOM 856 CE1 PHE A 58 -5.011 -19.133 -5.216 1.00 0.00 C ATOM 857 CE2 PHE A 58 -7.117 -19.093 -6.345 1.00 0.00 C ATOM 858 CZ PHE A 58 -6.199 -19.751 -5.550 1.00 0.00 C ATOM 0 H PHE A 58 -7.679 -14.419 -6.087 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.938 -14.902 -5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.976 -15.596 -7.843 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.321 -15.749 -7.287 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.811 -17.382 -5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.563 -17.309 -7.426 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.292 -19.646 -4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.048 -19.574 -6.608 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.410 -20.747 -5.190 1.00 0.00 H new ATOM 868 N VAL A 59 -4.225 -12.754 -6.111 1.00 0.00 N ATOM 869 CA VAL A 59 -3.892 -11.389 -6.483 1.00 0.00 C ATOM 870 C VAL A 59 -2.688 -11.346 -7.425 1.00 0.00 C ATOM 871 O VAL A 59 -1.554 -11.299 -6.975 1.00 0.00 O ATOM 872 CB VAL A 59 -3.585 -10.563 -5.222 1.00 0.00 C ATOM 873 CG1 VAL A 59 -3.107 -9.183 -5.572 1.00 0.00 C ATOM 874 CG2 VAL A 59 -4.789 -10.501 -4.297 1.00 0.00 C ATOM 0 H VAL A 59 -3.530 -13.206 -5.517 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.751 -10.965 -7.004 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.779 -11.069 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.899 -8.627 -4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.197 -9.253 -6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.877 -8.666 -6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.540 -9.910 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.626 -10.038 -4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.066 -11.510 -3.992 1.00 0.00 H new ATOM 884 N GLU A 60 -2.936 -11.368 -8.730 1.00 0.00 N ATOM 885 CA GLU A 60 -1.851 -11.387 -9.713 1.00 0.00 C ATOM 886 C GLU A 60 -1.477 -9.981 -10.194 1.00 0.00 C ATOM 887 O GLU A 60 -2.221 -9.027 -9.972 1.00 0.00 O ATOM 888 CB GLU A 60 -2.228 -12.271 -10.900 1.00 0.00 C ATOM 889 CG GLU A 60 -2.369 -13.738 -10.536 1.00 0.00 C ATOM 890 CD GLU A 60 -2.791 -14.590 -11.710 1.00 0.00 C ATOM 891 OE1 GLU A 60 -1.973 -14.786 -12.633 1.00 0.00 O ATOM 892 OE2 GLU A 60 -3.947 -15.060 -11.725 1.00 0.00 O ATOM 0 H GLU A 60 -3.873 -11.373 -9.133 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.973 -11.802 -9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.168 -11.917 -11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.470 -12.168 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.419 -14.105 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.101 -13.841 -9.735 1.00 0.00 H new ATOM 899 N GLU A 61 -0.332 -9.861 -10.860 1.00 0.00 N ATOM 900 CA GLU A 61 0.133 -8.579 -11.396 1.00 0.00 C ATOM 901 C GLU A 61 -0.830 -8.035 -12.442 1.00 0.00 C ATOM 902 O GLU A 61 -1.108 -6.835 -12.482 1.00 0.00 O ATOM 903 CB GLU A 61 1.518 -8.736 -12.011 1.00 0.00 C ATOM 904 CG GLU A 61 2.116 -7.432 -12.508 1.00 0.00 C ATOM 905 CD GLU A 61 3.435 -7.632 -13.218 1.00 0.00 C ATOM 906 OE1 GLU A 61 4.217 -8.509 -12.807 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.692 -6.918 -14.207 1.00 0.00 O ATOM 0 H GLU A 61 0.298 -10.642 -11.044 1.00 0.00 H new ATOM 0 HA GLU A 61 0.180 -7.871 -10.569 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.187 -9.173 -11.270 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.459 -9.439 -12.842 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.412 -6.949 -13.186 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.260 -6.758 -11.664 1.00 0.00 H new ATOM 914 N ASP A 62 -1.340 -8.925 -13.286 1.00 0.00 N ATOM 915 CA ASP A 62 -2.326 -8.549 -14.300 1.00 0.00 C ATOM 916 C ASP A 62 -3.562 -7.951 -13.651 1.00 0.00 C ATOM 917 O ASP A 62 -4.319 -7.211 -14.279 1.00 0.00 O ATOM 918 CB ASP A 62 -2.718 -9.760 -15.147 1.00 0.00 C ATOM 919 CG ASP A 62 -1.731 -10.033 -16.258 1.00 0.00 C ATOM 920 OD1 ASP A 62 -0.616 -10.524 -15.977 1.00 0.00 O ATOM 921 OD2 ASP A 62 -2.063 -9.754 -17.428 1.00 0.00 O ATOM 0 H ASP A 62 -1.089 -9.913 -13.290 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.872 -7.799 -14.948 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.791 -10.639 -14.506 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.706 -9.595 -15.576 1.00 0.00 H new ATOM 926 N GLU A 63 -3.743 -8.278 -12.386 1.00 0.00 N ATOM 927 CA GLU A 63 -4.837 -7.760 -11.592 1.00 0.00 C ATOM 928 C GLU A 63 -4.432 -6.447 -10.931 1.00 0.00 C ATOM 929 O GLU A 63 -5.224 -5.506 -10.863 1.00 0.00 O ATOM 930 CB GLU A 63 -5.213 -8.801 -10.552 1.00 0.00 C ATOM 931 CG GLU A 63 -6.210 -8.335 -9.524 1.00 0.00 C ATOM 932 CD GLU A 63 -6.656 -9.480 -8.664 1.00 0.00 C ATOM 933 OE1 GLU A 63 -5.820 -10.237 -8.164 1.00 0.00 O ATOM 934 OE2 GLU A 63 -7.857 -9.704 -8.506 1.00 0.00 O ATOM 0 H GLU A 63 -3.130 -8.915 -11.878 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.699 -7.557 -12.227 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.620 -9.674 -11.063 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.308 -9.125 -10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.764 -7.559 -8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.072 -7.889 -10.021 1.00 0.00 H new ATOM 941 N LEU A 64 -3.184 -6.382 -10.466 1.00 0.00 N ATOM 942 CA LEU A 64 -2.637 -5.154 -9.907 1.00 0.00 C ATOM 943 C LEU A 64 -2.627 -4.046 -10.944 1.00 0.00 C ATOM 944 O LEU A 64 -2.520 -2.875 -10.616 1.00 0.00 O ATOM 945 CB LEU A 64 -1.232 -5.355 -9.351 1.00 0.00 C ATOM 946 CG LEU A 64 -1.187 -5.664 -7.858 1.00 0.00 C ATOM 947 CD1 LEU A 64 -1.038 -7.155 -7.617 1.00 0.00 C ATOM 948 CD2 LEU A 64 -0.073 -4.876 -7.192 1.00 0.00 C ATOM 0 H LEU A 64 -2.535 -7.169 -10.467 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.287 -4.866 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.752 -6.170 -9.894 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.646 -4.456 -9.542 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.132 -5.357 -7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.008 -7.349 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.885 -7.681 -8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.114 -7.507 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.052 -5.106 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.883 -5.147 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.249 -3.809 -7.330 1.00 0.00 H new ATOM 960 N LYS A 65 -2.718 -4.427 -12.202 1.00 0.00 N ATOM 961 CA LYS A 65 -2.834 -3.459 -13.272 1.00 0.00 C ATOM 962 C LYS A 65 -4.035 -2.548 -13.055 1.00 0.00 C ATOM 963 O LYS A 65 -3.930 -1.330 -13.172 1.00 0.00 O ATOM 964 CB LYS A 65 -2.963 -4.173 -14.616 1.00 0.00 C ATOM 965 CG LYS A 65 -1.730 -4.074 -15.492 1.00 0.00 C ATOM 966 CD LYS A 65 -0.479 -4.563 -14.786 1.00 0.00 C ATOM 967 CE LYS A 65 0.680 -4.616 -15.756 1.00 0.00 C ATOM 968 NZ LYS A 65 1.942 -5.051 -15.110 1.00 0.00 N ATOM 0 H LYS A 65 -2.714 -5.400 -12.508 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.932 -2.847 -13.274 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.184 -5.225 -14.436 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.813 -3.757 -15.156 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.884 -4.658 -16.399 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.589 -3.038 -15.800 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.238 -3.899 -13.956 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.654 -5.552 -14.363 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.438 -5.300 -16.570 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.824 -3.631 -16.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.678 -4.333 -15.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.786 -5.170 -14.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.248 -5.956 -15.521 1.00 0.00 H new ATOM 982 N LEU A 66 -5.183 -3.139 -12.759 1.00 0.00 N ATOM 983 CA LEU A 66 -6.402 -2.365 -12.580 1.00 0.00 C ATOM 984 C LEU A 66 -6.772 -2.193 -11.109 1.00 0.00 C ATOM 985 O LEU A 66 -7.825 -1.628 -10.795 1.00 0.00 O ATOM 986 CB LEU A 66 -7.566 -2.977 -13.365 1.00 0.00 C ATOM 987 CG LEU A 66 -7.387 -2.999 -14.888 1.00 0.00 C ATOM 988 CD1 LEU A 66 -6.695 -1.727 -15.365 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.619 -4.237 -15.328 1.00 0.00 C ATOM 0 H LEU A 66 -5.296 -4.146 -12.638 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.202 -1.370 -12.978 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.719 -3.999 -13.019 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.474 -2.421 -13.130 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.375 -3.040 -15.347 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.577 -1.761 -16.448 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.298 -0.861 -15.093 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.714 -1.648 -14.895 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.506 -4.229 -16.412 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.635 -4.240 -14.860 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.166 -5.131 -15.027 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.917 -2.661 -10.200 1.00 0.00 N ATOM 1002 CA PHE A 67 -6.203 -2.520 -8.772 1.00 0.00 C ATOM 1003 C PHE A 67 -6.269 -1.039 -8.415 1.00 0.00 C ATOM 1004 O PHE A 67 -6.926 -0.642 -7.455 1.00 0.00 O ATOM 1005 CB PHE A 67 -5.174 -3.266 -7.895 1.00 0.00 C ATOM 1006 CG PHE A 67 -4.052 -2.432 -7.308 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -4.252 -1.697 -6.153 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -2.796 -2.413 -7.885 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -3.230 -0.958 -5.591 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -1.766 -1.678 -7.328 1.00 0.00 C ATOM 1011 CZ PHE A 67 -1.984 -0.949 -6.180 1.00 0.00 C ATOM 0 H PHE A 67 -5.039 -3.131 -10.419 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.169 -2.982 -8.567 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.709 -3.744 -7.074 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.730 -4.062 -8.493 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.224 -1.701 -5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.616 -2.982 -8.786 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.407 -0.388 -4.691 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.791 -1.675 -7.793 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.182 -0.373 -5.743 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.595 -0.227 -9.220 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.612 1.216 -9.049 1.00 0.00 C ATOM 1023 C LEU A 68 -7.019 1.737 -9.253 1.00 0.00 C ATOM 1024 O LEU A 68 -7.523 2.511 -8.446 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.668 1.918 -10.041 1.00 0.00 C ATOM 1026 CG LEU A 68 -3.200 1.471 -10.036 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.651 1.425 -8.620 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -3.041 0.126 -10.729 1.00 0.00 C ATOM 0 H LEU A 68 -5.026 -0.549 -10.003 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.269 1.433 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.063 1.773 -11.046 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.698 2.989 -9.838 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.621 2.206 -10.594 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.609 1.105 -8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.716 2.417 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.233 0.720 -8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.992 -0.170 -10.713 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.638 -0.624 -10.209 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.379 0.207 -11.762 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.658 1.274 -10.323 1.00 0.00 N ATOM 1041 CA GLN A 69 -9.023 1.669 -10.638 1.00 0.00 C ATOM 1042 C GLN A 69 -9.978 1.146 -9.574 1.00 0.00 C ATOM 1043 O GLN A 69 -11.104 1.627 -9.438 1.00 0.00 O ATOM 1044 CB GLN A 69 -9.434 1.132 -12.010 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.512 1.563 -13.140 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.954 1.019 -14.483 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.563 -0.045 -14.565 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -8.646 1.740 -15.549 1.00 0.00 N ATOM 0 H GLN A 69 -7.247 0.620 -10.990 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.070 2.758 -10.659 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.460 0.043 -11.970 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.447 1.467 -12.232 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.480 2.652 -13.184 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.498 1.223 -12.929 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.139 2.619 -15.441 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.915 1.417 -16.478 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.514 0.159 -8.818 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.306 -0.410 -7.736 1.00 0.00 C ATOM 1059 C ASN A 70 -10.160 0.442 -6.478 1.00 0.00 C ATOM 1060 O ASN A 70 -11.135 0.706 -5.772 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.864 -1.848 -7.452 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.786 -2.564 -6.484 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -10.596 -2.515 -5.268 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -11.791 -3.237 -7.021 1.00 0.00 N ATOM 0 H ASN A 70 -8.593 -0.264 -8.934 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.354 -0.421 -8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.826 -2.404 -8.389 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.853 -1.839 -7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.445 -3.741 -6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.912 -3.251 -8.034 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.934 0.881 -6.221 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.631 1.723 -5.070 1.00 0.00 C ATOM 1073 C PHE A 71 -9.183 3.132 -5.293 1.00 0.00 C ATOM 1074 O PHE A 71 -9.607 3.808 -4.356 1.00 0.00 O ATOM 1075 CB PHE A 71 -7.111 1.758 -4.859 1.00 0.00 C ATOM 1076 CG PHE A 71 -6.668 2.261 -3.511 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -7.316 1.859 -2.352 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -5.580 3.112 -3.402 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -6.890 2.299 -1.114 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -5.153 3.559 -2.167 1.00 0.00 C ATOM 1081 CZ PHE A 71 -5.807 3.151 -1.021 1.00 0.00 C ATOM 0 H PHE A 71 -8.124 0.664 -6.802 1.00 0.00 H new ATOM 0 HA PHE A 71 -9.103 1.313 -4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.716 0.752 -5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.667 2.388 -5.629 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.164 1.194 -2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.060 3.430 -4.293 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.403 1.977 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.308 4.228 -2.097 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.472 3.497 -0.054 1.00 0.00 H new ATOM 1091 N SER A 72 -9.157 3.566 -6.544 1.00 0.00 N ATOM 1092 CA SER A 72 -9.750 4.829 -6.956 1.00 0.00 C ATOM 1093 C SER A 72 -10.131 4.750 -8.432 1.00 0.00 C ATOM 1094 O SER A 72 -9.303 4.444 -9.285 1.00 0.00 O ATOM 1095 CB SER A 72 -8.782 5.988 -6.709 1.00 0.00 C ATOM 1096 OG SER A 72 -8.582 6.193 -5.319 1.00 0.00 O ATOM 0 H SER A 72 -8.721 3.048 -7.307 1.00 0.00 H new ATOM 0 HA SER A 72 -10.646 5.013 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.827 5.779 -7.191 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.175 6.898 -7.162 1.00 0.00 H new ATOM 0 HG SER A 72 -9.032 5.483 -4.816 1.00 0.00 H new ATOM 1102 N ALA A 73 -11.397 5.034 -8.715 1.00 0.00 N ATOM 1103 CA ALA A 73 -11.977 4.810 -10.037 1.00 0.00 C ATOM 1104 C ALA A 73 -11.244 5.568 -11.141 1.00 0.00 C ATOM 1105 O ALA A 73 -11.164 5.099 -12.275 1.00 0.00 O ATOM 1106 CB ALA A 73 -13.447 5.188 -10.023 1.00 0.00 C ATOM 0 H ALA A 73 -12.051 5.425 -8.037 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.869 3.749 -10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.875 5.019 -11.011 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.973 4.576 -9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.550 6.240 -9.758 1.00 0.00 H new ATOM 1112 N GLY A 74 -10.705 6.732 -10.810 1.00 0.00 N ATOM 1113 CA GLY A 74 -10.015 7.529 -11.805 1.00 0.00 C ATOM 1114 C GLY A 74 -8.507 7.458 -11.676 1.00 0.00 C ATOM 1115 O GLY A 74 -7.802 8.384 -12.077 1.00 0.00 O ATOM 0 H GLY A 74 -10.732 7.138 -9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.306 7.191 -12.800 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.334 8.568 -11.716 1.00 0.00 H new ATOM 1119 N ALA A 75 -8.006 6.362 -11.119 1.00 0.00 N ATOM 1120 CA ALA A 75 -6.569 6.184 -10.949 1.00 0.00 C ATOM 1121 C ALA A 75 -5.932 5.627 -12.215 1.00 0.00 C ATOM 1122 O ALA A 75 -6.600 5.001 -13.041 1.00 0.00 O ATOM 1123 CB ALA A 75 -6.280 5.270 -9.770 1.00 0.00 C ATOM 0 H ALA A 75 -8.572 5.585 -10.778 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.132 7.163 -10.750 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.202 5.149 -9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.692 5.708 -8.861 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.738 4.296 -9.943 1.00 0.00 H new ATOM 1129 N ARG A 76 -4.637 5.865 -12.362 1.00 0.00 N ATOM 1130 CA ARG A 76 -3.899 5.412 -13.532 1.00 0.00 C ATOM 1131 C ARG A 76 -3.307 4.024 -13.309 1.00 0.00 C ATOM 1132 O ARG A 76 -2.819 3.716 -12.223 1.00 0.00 O ATOM 1133 CB ARG A 76 -2.790 6.405 -13.911 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.404 7.401 -12.824 1.00 0.00 C ATOM 1135 CD ARG A 76 -1.353 6.831 -11.891 1.00 0.00 C ATOM 1136 NE ARG A 76 -0.196 6.344 -12.643 1.00 0.00 N ATOM 1137 CZ ARG A 76 0.914 5.857 -12.096 1.00 0.00 C ATOM 1138 NH1 ARG A 76 1.102 5.910 -10.785 1.00 0.00 N ATOM 1139 NH2 ARG A 76 1.851 5.341 -12.872 1.00 0.00 N ATOM 0 H ARG A 76 -4.072 6.373 -11.681 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.608 5.356 -14.358 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.902 5.840 -14.195 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.109 6.961 -14.793 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.026 8.314 -13.284 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.289 7.676 -12.251 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.036 7.597 -11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.782 6.016 -11.308 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.244 6.381 -13.661 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.391 6.328 -10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.957 5.533 -10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.720 5.318 -13.883 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.705 4.966 -12.460 1.00 0.00 H new ATOM 1153 N ALA A 77 -3.354 3.197 -14.349 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.849 1.831 -14.277 1.00 0.00 C ATOM 1155 C ALA A 77 -1.330 1.807 -14.327 1.00 0.00 C ATOM 1156 O ALA A 77 -0.710 2.548 -15.098 1.00 0.00 O ATOM 1157 CB ALA A 77 -3.414 0.989 -15.412 1.00 0.00 C ATOM 0 H ALA A 77 -3.740 3.452 -15.258 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.173 1.408 -13.326 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.025 -0.027 -15.340 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.502 0.967 -15.342 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.121 1.423 -16.368 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.740 0.949 -13.512 1.00 0.00 N ATOM 1164 CA LEU A 78 0.706 0.830 -13.446 1.00 0.00 C ATOM 1165 C LEU A 78 1.173 -0.306 -14.341 1.00 0.00 C ATOM 1166 O LEU A 78 0.887 -1.474 -14.060 1.00 0.00 O ATOM 1167 CB LEU A 78 1.160 0.543 -12.012 1.00 0.00 C ATOM 1168 CG LEU A 78 0.454 1.336 -10.911 1.00 0.00 C ATOM 1169 CD1 LEU A 78 1.053 1.008 -9.554 1.00 0.00 C ATOM 1170 CD2 LEU A 78 0.525 2.827 -11.182 1.00 0.00 C ATOM 0 H LEU A 78 -1.243 0.322 -12.884 1.00 0.00 H new ATOM 0 HA LEU A 78 1.139 1.773 -13.780 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.019 -0.519 -11.814 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.230 0.741 -11.945 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.597 1.047 -10.905 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.539 1.581 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.938 -0.057 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.112 1.265 -9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.015 3.367 -10.384 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.568 3.140 -11.223 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.043 3.047 -12.134 1.00 0.00 H new ATOM 1182 N SER A 79 1.897 0.018 -15.401 1.00 0.00 N ATOM 1183 CA SER A 79 2.432 -1.005 -16.285 1.00 0.00 C ATOM 1184 C SER A 79 3.785 -0.600 -16.839 1.00 0.00 C ATOM 1185 O SER A 79 3.886 -0.031 -17.926 1.00 0.00 O ATOM 1186 CB SER A 79 1.455 -1.302 -17.426 1.00 0.00 C ATOM 1187 OG SER A 79 0.201 -1.735 -16.928 1.00 0.00 O ATOM 0 H SER A 79 2.126 0.975 -15.669 1.00 0.00 H new ATOM 0 HA SER A 79 2.566 -1.913 -15.697 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.319 -0.407 -18.033 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.875 -2.069 -18.077 1.00 0.00 H new ATOM 0 HG SER A 79 -0.404 -1.916 -17.678 1.00 0.00 H new ATOM 1193 N ASP A 80 4.815 -0.919 -16.075 1.00 0.00 N ATOM 1194 CA ASP A 80 6.190 -0.622 -16.442 1.00 0.00 C ATOM 1195 C ASP A 80 7.088 -1.164 -15.353 1.00 0.00 C ATOM 1196 O ASP A 80 6.706 -2.102 -14.649 1.00 0.00 O ATOM 1197 CB ASP A 80 6.391 0.891 -16.612 1.00 0.00 C ATOM 1198 CG ASP A 80 7.597 1.232 -17.467 1.00 0.00 C ATOM 1199 OD1 ASP A 80 7.444 1.337 -18.702 1.00 0.00 O ATOM 1200 OD2 ASP A 80 8.700 1.398 -16.905 1.00 0.00 O ATOM 0 H ASP A 80 4.721 -1.394 -15.177 1.00 0.00 H new ATOM 0 HA ASP A 80 6.435 -1.089 -17.396 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.498 1.323 -17.063 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.506 1.350 -15.630 1.00 0.00 H new ATOM 1205 N ALA A 81 8.260 -0.590 -15.196 1.00 0.00 N ATOM 1206 CA ALA A 81 9.159 -1.004 -14.144 1.00 0.00 C ATOM 1207 C ALA A 81 8.553 -0.703 -12.777 1.00 0.00 C ATOM 1208 O ALA A 81 8.977 -1.255 -11.760 1.00 0.00 O ATOM 1209 CB ALA A 81 10.511 -0.325 -14.296 1.00 0.00 C ATOM 0 H ALA A 81 8.612 0.165 -15.784 1.00 0.00 H new ATOM 0 HA ALA A 81 9.310 -2.081 -14.223 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.174 -0.650 -13.494 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.947 -0.594 -15.258 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.383 0.756 -14.245 1.00 0.00 H new ATOM 1215 N GLU A 82 7.530 0.152 -12.765 1.00 0.00 N ATOM 1216 CA GLU A 82 6.952 0.629 -11.523 1.00 0.00 C ATOM 1217 C GLU A 82 6.129 -0.471 -10.872 1.00 0.00 C ATOM 1218 O GLU A 82 6.205 -0.676 -9.662 1.00 0.00 O ATOM 1219 CB GLU A 82 6.105 1.882 -11.770 1.00 0.00 C ATOM 1220 CG GLU A 82 4.978 1.693 -12.771 1.00 0.00 C ATOM 1221 CD GLU A 82 4.253 2.986 -13.073 1.00 0.00 C ATOM 1222 OE1 GLU A 82 3.666 3.575 -12.143 1.00 0.00 O ATOM 1223 OE2 GLU A 82 4.264 3.413 -14.246 1.00 0.00 O ATOM 0 H GLU A 82 7.089 0.525 -13.606 1.00 0.00 H new ATOM 0 HA GLU A 82 7.757 0.901 -10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.680 2.211 -10.822 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.756 2.682 -12.122 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.382 1.282 -13.696 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.268 0.964 -12.381 1.00 0.00 H new ATOM 1230 N THR A 83 5.369 -1.191 -11.686 1.00 0.00 N ATOM 1231 CA THR A 83 4.598 -2.316 -11.200 1.00 0.00 C ATOM 1232 C THR A 83 5.526 -3.390 -10.682 1.00 0.00 C ATOM 1233 O THR A 83 5.326 -3.916 -9.605 1.00 0.00 O ATOM 1234 CB THR A 83 3.737 -2.930 -12.308 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.369 -1.917 -13.249 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.489 -3.580 -11.721 1.00 0.00 C ATOM 0 H THR A 83 5.273 -1.012 -12.686 1.00 0.00 H new ATOM 0 HA THR A 83 3.950 -1.945 -10.406 1.00 0.00 H new ATOM 0 HB THR A 83 4.317 -3.700 -12.817 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.495 -2.132 -13.636 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.891 -4.010 -12.524 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.781 -4.366 -11.025 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.901 -2.829 -11.193 1.00 0.00 H new ATOM 1244 N LYS A 84 6.555 -3.686 -11.462 1.00 0.00 N ATOM 1245 CA LYS A 84 7.475 -4.769 -11.147 1.00 0.00 C ATOM 1246 C LYS A 84 8.145 -4.564 -9.788 1.00 0.00 C ATOM 1247 O LYS A 84 8.033 -5.412 -8.911 1.00 0.00 O ATOM 1248 CB LYS A 84 8.523 -4.898 -12.253 1.00 0.00 C ATOM 1249 CG LYS A 84 9.550 -5.991 -12.001 1.00 0.00 C ATOM 1250 CD LYS A 84 10.583 -6.058 -13.117 1.00 0.00 C ATOM 1251 CE LYS A 84 11.389 -4.773 -13.213 1.00 0.00 C ATOM 1252 NZ LYS A 84 12.488 -4.872 -14.209 1.00 0.00 N ATOM 0 H LYS A 84 6.775 -3.187 -12.324 1.00 0.00 H new ATOM 0 HA LYS A 84 6.902 -5.694 -11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.018 -5.098 -13.198 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.040 -3.945 -12.364 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.052 -5.808 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.045 -6.953 -11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.256 -6.897 -12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.082 -6.245 -14.067 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.727 -3.951 -13.485 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.808 -4.535 -12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.010 -3.973 -14.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.135 -5.639 -13.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.089 -5.073 -15.148 1.00 0.00 H new ATOM 1266 N VAL A 85 8.818 -3.433 -9.607 1.00 0.00 N ATOM 1267 CA VAL A 85 9.545 -3.171 -8.365 1.00 0.00 C ATOM 1268 C VAL A 85 8.593 -3.092 -7.169 1.00 0.00 C ATOM 1269 O VAL A 85 8.835 -3.700 -6.122 1.00 0.00 O ATOM 1270 CB VAL A 85 10.367 -1.867 -8.457 1.00 0.00 C ATOM 1271 CG1 VAL A 85 11.104 -1.593 -7.153 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.348 -1.936 -9.618 1.00 0.00 C ATOM 0 H VAL A 85 8.877 -2.685 -10.298 1.00 0.00 H new ATOM 0 HA VAL A 85 10.229 -4.007 -8.217 1.00 0.00 H new ATOM 0 HB VAL A 85 9.675 -1.044 -8.634 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.675 -0.669 -7.245 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.383 -1.495 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.782 -2.419 -6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.919 -1.009 -9.668 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.029 -2.774 -9.469 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.800 -2.075 -10.550 1.00 0.00 H new ATOM 1282 N PHE A 86 7.501 -2.359 -7.341 1.00 0.00 N ATOM 1283 CA PHE A 86 6.512 -2.184 -6.284 1.00 0.00 C ATOM 1284 C PHE A 86 5.836 -3.516 -5.940 1.00 0.00 C ATOM 1285 O PHE A 86 5.521 -3.779 -4.782 1.00 0.00 O ATOM 1286 CB PHE A 86 5.496 -1.117 -6.716 1.00 0.00 C ATOM 1287 CG PHE A 86 4.247 -1.044 -5.880 1.00 0.00 C ATOM 1288 CD1 PHE A 86 4.207 -0.254 -4.744 1.00 0.00 C ATOM 1289 CD2 PHE A 86 3.111 -1.753 -6.241 1.00 0.00 C ATOM 1290 CE1 PHE A 86 3.059 -0.172 -3.983 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.960 -1.677 -5.481 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.933 -0.884 -4.350 1.00 0.00 C ATOM 0 H PHE A 86 7.276 -1.873 -8.209 1.00 0.00 H new ATOM 0 HA PHE A 86 7.006 -1.842 -5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.985 -0.143 -6.695 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.211 -1.308 -7.750 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.084 0.304 -4.450 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.126 -2.371 -7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.040 0.449 -3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.083 -2.237 -5.770 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.034 -0.821 -3.754 1.00 0.00 H new ATOM 1302 N LEU A 87 5.640 -4.353 -6.949 1.00 0.00 N ATOM 1303 CA LEU A 87 5.067 -5.686 -6.769 1.00 0.00 C ATOM 1304 C LEU A 87 6.060 -6.590 -6.043 1.00 0.00 C ATOM 1305 O LEU A 87 5.703 -7.289 -5.098 1.00 0.00 O ATOM 1306 CB LEU A 87 4.726 -6.287 -8.138 1.00 0.00 C ATOM 1307 CG LEU A 87 3.933 -7.595 -8.134 1.00 0.00 C ATOM 1308 CD1 LEU A 87 2.438 -7.326 -8.018 1.00 0.00 C ATOM 1309 CD2 LEU A 87 4.242 -8.391 -9.391 1.00 0.00 C ATOM 0 H LEU A 87 5.873 -4.130 -7.917 1.00 0.00 H new ATOM 0 HA LEU A 87 4.159 -5.606 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.159 -5.547 -8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.658 -6.455 -8.678 1.00 0.00 H new ATOM 0 HG LEU A 87 4.232 -8.181 -7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.897 -8.272 -8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.235 -6.792 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.110 -6.721 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.674 -9.321 -9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.966 -7.806 -10.269 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.308 -8.617 -9.426 1.00 0.00 H new ATOM 1321 N LYS A 88 7.317 -6.545 -6.482 1.00 0.00 N ATOM 1322 CA LYS A 88 8.378 -7.380 -5.917 1.00 0.00 C ATOM 1323 C LYS A 88 8.660 -7.033 -4.462 1.00 0.00 C ATOM 1324 O LYS A 88 9.290 -7.812 -3.746 1.00 0.00 O ATOM 1325 CB LYS A 88 9.659 -7.267 -6.746 1.00 0.00 C ATOM 1326 CG LYS A 88 9.548 -7.921 -8.106 1.00 0.00 C ATOM 1327 CD LYS A 88 9.336 -9.410 -7.951 1.00 0.00 C ATOM 1328 CE LYS A 88 9.218 -10.112 -9.288 1.00 0.00 C ATOM 1329 NZ LYS A 88 8.972 -11.565 -9.115 1.00 0.00 N ATOM 0 H LYS A 88 7.628 -5.932 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 88 8.026 -8.411 -5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.909 -6.214 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.482 -7.724 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.719 -7.484 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.453 -7.733 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.167 -9.837 -7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.433 -9.588 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.405 -9.669 -9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.132 -9.962 -9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.695 -11.981 -10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.839 -12.026 -8.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.208 -11.708 -8.423 1.00 0.00 H new ATOM 1343 N ALA A 89 8.206 -5.861 -4.032 1.00 0.00 N ATOM 1344 CA ALA A 89 8.283 -5.486 -2.624 1.00 0.00 C ATOM 1345 C ALA A 89 7.531 -6.501 -1.770 1.00 0.00 C ATOM 1346 O ALA A 89 7.830 -6.689 -0.592 1.00 0.00 O ATOM 1347 CB ALA A 89 7.718 -4.093 -2.411 1.00 0.00 C ATOM 0 H ALA A 89 7.782 -5.156 -4.635 1.00 0.00 H new ATOM 0 HA ALA A 89 9.330 -5.480 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.784 -3.831 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.289 -3.375 -2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.675 -4.072 -2.725 1.00 0.00 H new ATOM 1353 N GLY A 90 6.551 -7.149 -2.386 1.00 0.00 N ATOM 1354 CA GLY A 90 5.823 -8.207 -1.727 1.00 0.00 C ATOM 1355 C GLY A 90 6.090 -9.548 -2.376 1.00 0.00 C ATOM 1356 O GLY A 90 6.453 -10.505 -1.696 1.00 0.00 O ATOM 0 H GLY A 90 6.248 -6.955 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.108 -8.247 -0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.755 -7.991 -1.760 1.00 0.00 H new ATOM 1360 N ASP A 91 5.933 -9.601 -3.702 1.00 0.00 N ATOM 1361 CA ASP A 91 6.148 -10.826 -4.477 1.00 0.00 C ATOM 1362 C ASP A 91 7.583 -11.312 -4.318 1.00 0.00 C ATOM 1363 O ASP A 91 8.487 -10.864 -5.020 1.00 0.00 O ATOM 1364 CB ASP A 91 5.854 -10.574 -5.962 1.00 0.00 C ATOM 1365 CG ASP A 91 6.051 -11.810 -6.828 1.00 0.00 C ATOM 1366 OD1 ASP A 91 7.211 -12.129 -7.171 1.00 0.00 O ATOM 1367 OD2 ASP A 91 5.050 -12.446 -7.195 1.00 0.00 O ATOM 0 H ASP A 91 5.654 -8.799 -4.267 1.00 0.00 H new ATOM 0 HA ASP A 91 5.469 -11.592 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.828 -10.223 -6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.503 -9.777 -6.324 1.00 0.00 H new ATOM 1372 N SER A 92 7.793 -12.199 -3.364 1.00 0.00 N ATOM 1373 CA SER A 92 9.114 -12.748 -3.119 1.00 0.00 C ATOM 1374 C SER A 92 9.240 -14.126 -3.756 1.00 0.00 C ATOM 1375 O SER A 92 10.317 -14.721 -3.783 1.00 0.00 O ATOM 1376 CB SER A 92 9.370 -12.815 -1.616 1.00 0.00 C ATOM 1377 OG SER A 92 9.061 -11.570 -1.004 1.00 0.00 O ATOM 0 H SER A 92 7.065 -12.555 -2.745 1.00 0.00 H new ATOM 0 HA SER A 92 9.864 -12.100 -3.571 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.764 -13.605 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.413 -13.070 -1.430 1.00 0.00 H new ATOM 0 HG SER A 92 8.117 -11.356 -1.157 1.00 0.00 H new ATOM 1383 N ASP A 93 8.123 -14.624 -4.268 1.00 0.00 N ATOM 1384 CA ASP A 93 8.073 -15.968 -4.841 1.00 0.00 C ATOM 1385 C ASP A 93 8.476 -15.950 -6.306 1.00 0.00 C ATOM 1386 O ASP A 93 8.912 -16.962 -6.855 1.00 0.00 O ATOM 1387 CB ASP A 93 6.669 -16.566 -4.730 1.00 0.00 C ATOM 1388 CG ASP A 93 5.988 -16.249 -3.421 1.00 0.00 C ATOM 1389 OD1 ASP A 93 5.385 -15.158 -3.320 1.00 0.00 O ATOM 1390 OD2 ASP A 93 6.045 -17.072 -2.485 1.00 0.00 O ATOM 0 H ASP A 93 7.237 -14.120 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 93 8.774 -16.581 -4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.056 -16.192 -5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.732 -17.648 -4.846 1.00 0.00 H new ATOM 1395 N GLY A 94 8.314 -14.796 -6.939 1.00 0.00 N ATOM 1396 CA GLY A 94 8.632 -14.670 -8.346 1.00 0.00 C ATOM 1397 C GLY A 94 7.531 -15.216 -9.225 1.00 0.00 C ATOM 1398 O GLY A 94 7.752 -15.517 -10.399 1.00 0.00 O ATOM 0 H GLY A 94 7.967 -13.943 -6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.802 -13.621 -8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.561 -15.200 -8.557 1.00 0.00 H new ATOM 1402 N ASP A 95 6.335 -15.323 -8.665 1.00 0.00 N ATOM 1403 CA ASP A 95 5.218 -15.929 -9.369 1.00 0.00 C ATOM 1404 C ASP A 95 4.275 -14.883 -9.957 1.00 0.00 C ATOM 1405 O ASP A 95 3.347 -15.229 -10.687 1.00 0.00 O ATOM 1406 CB ASP A 95 4.458 -16.920 -8.467 1.00 0.00 C ATOM 1407 CG ASP A 95 4.121 -16.391 -7.079 1.00 0.00 C ATOM 1408 OD1 ASP A 95 4.474 -15.241 -6.754 1.00 0.00 O ATOM 1409 OD2 ASP A 95 3.510 -17.150 -6.293 1.00 0.00 O ATOM 0 H ASP A 95 6.114 -14.997 -7.724 1.00 0.00 H new ATOM 0 HA ASP A 95 5.636 -16.490 -10.205 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.532 -17.207 -8.966 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.056 -17.825 -8.360 1.00 0.00 H new ATOM 1414 N GLY A 96 4.506 -13.610 -9.649 1.00 0.00 N ATOM 1415 CA GLY A 96 3.788 -12.549 -10.340 1.00 0.00 C ATOM 1416 C GLY A 96 2.513 -12.135 -9.638 1.00 0.00 C ATOM 1417 O GLY A 96 1.543 -11.743 -10.285 1.00 0.00 O ATOM 0 H GLY A 96 5.170 -13.294 -8.942 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.440 -11.681 -10.436 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.547 -12.880 -11.350 1.00 0.00 H new ATOM 1421 N LYS A 97 2.500 -12.242 -8.321 1.00 0.00 N ATOM 1422 CA LYS A 97 1.296 -11.978 -7.545 1.00 0.00 C ATOM 1423 C LYS A 97 1.638 -11.386 -6.193 1.00 0.00 C ATOM 1424 O LYS A 97 2.794 -11.362 -5.775 1.00 0.00 O ATOM 1425 CB LYS A 97 0.506 -13.275 -7.348 1.00 0.00 C ATOM 1426 CG LYS A 97 1.290 -14.357 -6.632 1.00 0.00 C ATOM 1427 CD LYS A 97 0.405 -15.504 -6.179 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.639 -15.058 -5.168 1.00 0.00 C ATOM 1429 NZ LYS A 97 -1.470 -16.195 -4.696 1.00 0.00 N ATOM 0 H LYS A 97 3.311 -12.510 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 97 0.690 -11.258 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.399 -13.057 -6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.190 -13.650 -8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.066 -14.739 -7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.794 -13.926 -5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.093 -15.940 -7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.024 -16.286 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.144 -14.591 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.281 -14.301 -5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.170 -15.851 -4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.962 -16.625 -5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.861 -16.906 -4.244 1.00 0.00 H new ATOM 1443 N ILE A 98 0.618 -10.914 -5.514 1.00 0.00 N ATOM 1444 CA ILE A 98 0.773 -10.354 -4.196 1.00 0.00 C ATOM 1445 C ILE A 98 -0.034 -11.148 -3.190 1.00 0.00 C ATOM 1446 O ILE A 98 -1.267 -11.100 -3.186 1.00 0.00 O ATOM 1447 CB ILE A 98 0.327 -8.875 -4.139 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.259 -7.990 -4.960 1.00 0.00 C ATOM 1449 CG2 ILE A 98 0.267 -8.380 -2.707 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.697 -8.022 -4.492 1.00 0.00 C ATOM 0 H ILE A 98 -0.341 -10.908 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 98 1.834 -10.404 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.673 -8.817 -4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.219 -8.304 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.897 -6.963 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.049 -7.337 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.446 -8.982 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.253 -8.465 -2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.300 -7.369 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.751 -7.679 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.078 -9.041 -4.556 1.00 0.00 H new ATOM 1462 N GLY A 99 0.656 -11.909 -2.368 1.00 0.00 N ATOM 1463 CA GLY A 99 0.028 -12.434 -1.190 1.00 0.00 C ATOM 1464 C GLY A 99 -0.316 -11.285 -0.284 1.00 0.00 C ATOM 1465 O GLY A 99 0.445 -10.326 -0.196 1.00 0.00 O ATOM 0 H GLY A 99 1.634 -12.171 -2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.871 -12.990 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.696 -13.130 -0.683 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.454 -11.341 0.361 1.00 0.00 N ATOM 1470 CA VAL A 100 -1.906 -10.225 1.171 1.00 0.00 C ATOM 1471 C VAL A 100 -0.906 -9.908 2.277 1.00 0.00 C ATOM 1472 O VAL A 100 -0.621 -8.742 2.560 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.281 -10.524 1.761 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -3.717 -9.425 2.714 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.283 -10.709 0.639 1.00 0.00 C ATOM 0 H VAL A 100 -2.086 -12.141 0.345 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.983 -9.348 0.529 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.227 -11.447 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.700 -9.664 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.998 -9.344 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.766 -8.477 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.265 -10.923 1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.334 -9.798 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.971 -11.540 0.006 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.356 -10.951 2.877 1.00 0.00 N ATOM 1486 CA ASP A 101 0.696 -10.792 3.873 1.00 0.00 C ATOM 1487 C ASP A 101 1.949 -10.176 3.242 1.00 0.00 C ATOM 1488 O ASP A 101 2.689 -9.448 3.904 1.00 0.00 O ATOM 1489 CB ASP A 101 1.029 -12.137 4.529 1.00 0.00 C ATOM 1490 CG ASP A 101 1.614 -13.143 3.560 1.00 0.00 C ATOM 1491 OD1 ASP A 101 2.852 -13.178 3.409 1.00 0.00 O ATOM 1492 OD2 ASP A 101 0.839 -13.914 2.953 1.00 0.00 O ATOM 0 H ASP A 101 -0.620 -11.919 2.693 1.00 0.00 H new ATOM 0 HA ASP A 101 0.333 -10.115 4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.735 -11.972 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.124 -12.552 4.972 1.00 0.00 H new ATOM 1497 N GLU A 102 2.168 -10.455 1.953 1.00 0.00 N ATOM 1498 CA GLU A 102 3.276 -9.854 1.212 1.00 0.00 C ATOM 1499 C GLU A 102 3.022 -8.361 1.029 1.00 0.00 C ATOM 1500 O GLU A 102 3.941 -7.546 1.097 1.00 0.00 O ATOM 1501 CB GLU A 102 3.462 -10.519 -0.166 1.00 0.00 C ATOM 1502 CG GLU A 102 3.773 -12.009 -0.106 1.00 0.00 C ATOM 1503 CD GLU A 102 4.088 -12.610 -1.467 1.00 0.00 C ATOM 1504 OE1 GLU A 102 3.184 -12.742 -2.310 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.234 -13.009 -1.714 1.00 0.00 O ATOM 0 H GLU A 102 1.592 -11.093 1.404 1.00 0.00 H new ATOM 0 HA GLU A 102 4.188 -10.009 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.555 -10.372 -0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.269 -10.012 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.620 -12.170 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.922 -12.534 0.328 1.00 0.00 H new ATOM 1512 N PHE A 103 1.760 -8.007 0.807 1.00 0.00 N ATOM 1513 CA PHE A 103 1.386 -6.614 0.619 1.00 0.00 C ATOM 1514 C PHE A 103 1.484 -5.861 1.935 1.00 0.00 C ATOM 1515 O PHE A 103 2.065 -4.784 1.991 1.00 0.00 O ATOM 1516 CB PHE A 103 -0.029 -6.494 0.052 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.316 -5.142 -0.544 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.233 -4.781 -1.764 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -1.131 -4.236 0.111 1.00 0.00 C ATOM 1520 CE1 PHE A 103 -0.025 -3.542 -2.318 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.393 -2.995 -0.439 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.838 -2.649 -1.655 1.00 0.00 C ATOM 0 H PHE A 103 0.983 -8.665 0.753 1.00 0.00 H new ATOM 0 HA PHE A 103 2.079 -6.174 -0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.174 -7.259 -0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.749 -6.695 0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.871 -5.477 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.567 -4.501 1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.410 -3.274 -3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -2.031 -2.297 0.082 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.041 -1.680 -2.086 1.00 0.00 H new ATOM 1532 N GLY A 104 0.929 -6.443 2.995 1.00 0.00 N ATOM 1533 CA GLY A 104 1.018 -5.834 4.311 1.00 0.00 C ATOM 1534 C GLY A 104 2.457 -5.577 4.711 1.00 0.00 C ATOM 1535 O GLY A 104 2.783 -4.530 5.279 1.00 0.00 O ATOM 0 H GLY A 104 0.419 -7.326 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.465 -4.895 4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.546 -6.485 5.047 1.00 0.00 H new ATOM 1539 N ALA A 105 3.325 -6.527 4.383 1.00 0.00 N ATOM 1540 CA ALA A 105 4.746 -6.401 4.659 1.00 0.00 C ATOM 1541 C ALA A 105 5.363 -5.261 3.858 1.00 0.00 C ATOM 1542 O ALA A 105 6.263 -4.578 4.339 1.00 0.00 O ATOM 1543 CB ALA A 105 5.461 -7.708 4.354 1.00 0.00 C ATOM 0 H ALA A 105 3.064 -7.399 3.922 1.00 0.00 H new ATOM 0 HA ALA A 105 4.865 -6.172 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.525 -7.599 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.047 -8.503 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.324 -7.961 3.303 1.00 0.00 H new ATOM 1549 N MET A 106 4.869 -5.042 2.640 1.00 0.00 N ATOM 1550 CA MET A 106 5.406 -3.990 1.784 1.00 0.00 C ATOM 1551 C MET A 106 4.833 -2.628 2.179 1.00 0.00 C ATOM 1552 O MET A 106 5.383 -1.586 1.829 1.00 0.00 O ATOM 1553 CB MET A 106 5.124 -4.273 0.299 1.00 0.00 C ATOM 1554 CG MET A 106 3.823 -3.667 -0.212 1.00 0.00 C ATOM 1555 SD MET A 106 3.742 -3.565 -2.012 1.00 0.00 S ATOM 1556 CE MET A 106 3.687 -5.296 -2.454 1.00 0.00 C ATOM 0 H MET A 106 4.104 -5.576 2.228 1.00 0.00 H new ATOM 0 HA MET A 106 6.487 -3.973 1.925 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.951 -3.887 -0.297 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.096 -5.352 0.144 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.986 -4.264 0.149 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.706 -2.668 0.207 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.544 -5.539 -3.082 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.716 -5.904 -1.550 1.00 0.00 H new ATOM 0 HE3 MET A 106 2.767 -5.503 -3.000 1.00 0.00 H new ATOM 1566 N ILE A 107 3.721 -2.639 2.904 1.00 0.00 N ATOM 1567 CA ILE A 107 3.126 -1.405 3.398 1.00 0.00 C ATOM 1568 C ILE A 107 3.946 -0.900 4.572 1.00 0.00 C ATOM 1569 O ILE A 107 4.089 0.304 4.797 1.00 0.00 O ATOM 1570 CB ILE A 107 1.655 -1.611 3.839 1.00 0.00 C ATOM 1571 CG1 ILE A 107 0.818 -2.114 2.664 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.075 -0.314 4.380 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.605 -2.458 3.039 1.00 0.00 C ATOM 0 H ILE A 107 3.215 -3.486 3.162 1.00 0.00 H new ATOM 0 HA ILE A 107 3.127 -0.675 2.588 1.00 0.00 H new ATOM 0 HB ILE A 107 1.632 -2.358 4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.806 -1.352 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.296 -2.996 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.041 -0.477 4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.659 0.015 5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.108 0.451 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.140 -2.808 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.602 -3.242 3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.101 -1.572 3.436 1.00 0.00 H new ATOM 1585 N LYS A 108 4.503 -1.851 5.297 1.00 0.00 N ATOM 1586 CA LYS A 108 5.344 -1.561 6.442 1.00 0.00 C ATOM 1587 C LYS A 108 6.800 -1.373 6.016 1.00 0.00 C ATOM 1588 O LYS A 108 7.542 -0.615 6.638 1.00 0.00 O ATOM 1589 CB LYS A 108 5.175 -2.685 7.473 1.00 0.00 C ATOM 1590 CG LYS A 108 6.308 -2.833 8.483 1.00 0.00 C ATOM 1591 CD LYS A 108 7.373 -3.803 7.989 1.00 0.00 C ATOM 1592 CE LYS A 108 8.415 -4.092 9.056 1.00 0.00 C ATOM 1593 NZ LYS A 108 9.212 -2.887 9.411 1.00 0.00 N ATOM 0 H LYS A 108 4.385 -2.847 5.109 1.00 0.00 H new ATOM 0 HA LYS A 108 5.039 -0.621 6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.247 -2.516 8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 108 5.063 -3.629 6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 108 6.760 -1.859 8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.906 -3.185 9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 108 6.900 -4.736 7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.862 -3.388 7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 108 7.920 -4.473 9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.085 -4.876 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.942 -3.146 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.666 -2.507 8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.586 -2.165 9.821 1.00 0.00 H new ATOM 1607 N ALA A 109 7.204 -2.060 4.958 1.00 0.00 N ATOM 1608 CA ALA A 109 8.556 -1.938 4.441 1.00 0.00 C ATOM 1609 C ALA A 109 8.544 -1.290 3.064 1.00 0.00 C ATOM 1610 O ALA A 109 8.803 -0.073 2.980 1.00 0.00 O ATOM 1611 CB ALA A 109 9.235 -3.297 4.385 1.00 0.00 C ATOM 1612 OXT ALA A 109 8.258 -1.989 2.071 1.00 0.00 O ATOM 0 H ALA A 109 6.612 -2.709 4.440 1.00 0.00 H new ATOM 0 HA ALA A 109 9.124 -1.300 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.246 -3.183 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.279 -3.723 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.667 -3.961 3.733 1.00 0.00 H new TER 1618 ALA A 109 HETATM 1619 CA CA A 201 -7.242 -11.379 -7.927 1.00 0.00 CA HETATM 1620 CA CA A 202 4.069 -14.034 -3.218 1.00 0.00 CA