USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=23 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 52 THR OG1 : rot 180:sc= 0.0226 USER MOD Set 1.2: A 53 ASN : amide:sc= 0.66 K(o=0.68,f=-3.3!) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 163:sc= 1.01 (180deg=0) USER MOD Set 2.2: A 32 GLN : amide:sc= 0.867 K(o=1.9,f=-3.3) USER MOD Single : A 1 SER OG : rot 180:sc=-0.00577 USER MOD Single : A 2 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.239 K(o=0.24,f=-0.28) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot -125:sc= 0.283 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -114:sc= 0.0764 (180deg=0) USER MOD Single : A 12 CYS SG : rot 83:sc= 0.215 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 -176:sc= -0.393 (180deg=-0.449) 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= 0.169 K(o=0.17,f=-4.2!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -128:sc= 0 (180deg=-0.0819) USER MOD Single : A 36 CYS SG : rot 20:sc= -0.364 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -169:sc= 0 (180deg=-0.15) USER MOD Single : A 50 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.56) USER MOD Single : A 51 SER OG : rot 136:sc= 1.29 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.674 K(o=0.67,f=-0.29) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.348 K(o=0.35,f=-0.59) USER MOD Single : A 67 ASN : amide:sc= 1.87 K(o=1.9,f=-3.8!) USER MOD Single : A 68 TYR OH : rot 150:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.66) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 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 17.714 0.949 10.270 1.00 0.00 N ATOM 2 CA GLY A -3 16.318 0.758 9.817 1.00 0.00 C ATOM 3 C GLY A -3 15.889 -0.703 9.887 1.00 0.00 C ATOM 4 O GLY A -3 16.714 -1.597 10.070 1.00 0.00 O ATOM 0 H1 GLY A -3 17.721 1.510 11.146 1.00 0.00 H new ATOM 0 H2 GLY A -3 18.151 0.022 10.449 1.00 0.00 H new ATOM 0 H3 GLY A -3 18.253 1.449 9.534 1.00 0.00 H new ATOM 0 HA2 GLY A -3 15.651 1.361 10.433 1.00 0.00 H new ATOM 0 HA3 GLY A -3 16.217 1.117 8.793 1.00 0.00 H new ATOM 10 N SER A -2 14.592 -0.968 9.731 1.00 0.00 N ATOM 11 CA SER A -2 13.995 -2.312 9.886 1.00 0.00 C ATOM 12 C SER A -2 14.230 -3.258 8.686 1.00 0.00 C ATOM 13 O SER A -2 13.992 -4.462 8.784 1.00 0.00 O ATOM 14 CB SER A -2 12.485 -2.179 10.144 1.00 0.00 C ATOM 15 OG SER A -2 12.220 -1.298 11.231 1.00 0.00 O ATOM 0 H SER A -2 13.909 -0.250 9.490 1.00 0.00 H new ATOM 0 HA SER A -2 14.503 -2.769 10.736 1.00 0.00 H new ATOM 0 HB2 SER A -2 11.992 -1.809 9.245 1.00 0.00 H new ATOM 0 HB3 SER A -2 12.063 -3.161 10.358 1.00 0.00 H new ATOM 0 HG SER A -2 11.252 -1.232 11.370 1.00 0.00 H new ATOM 21 N SER A -1 14.716 -2.735 7.557 1.00 0.00 N ATOM 22 CA SER A -1 15.062 -3.472 6.332 1.00 0.00 C ATOM 23 C SER A -1 15.960 -2.608 5.424 1.00 0.00 C ATOM 24 O SER A -1 15.988 -1.377 5.553 1.00 0.00 O ATOM 25 CB SER A -1 13.790 -3.890 5.576 1.00 0.00 C ATOM 26 OG SER A -1 14.108 -4.735 4.476 1.00 0.00 O ATOM 0 H SER A -1 14.889 -1.734 7.465 1.00 0.00 H new ATOM 0 HA SER A -1 15.609 -4.372 6.614 1.00 0.00 H new ATOM 0 HB2 SER A -1 13.113 -4.409 6.254 1.00 0.00 H new ATOM 0 HB3 SER A -1 13.266 -3.003 5.219 1.00 0.00 H new ATOM 0 HG SER A -1 13.735 -4.355 3.653 1.00 0.00 H new ATOM 32 N GLY A 0 16.687 -3.239 4.492 1.00 0.00 N ATOM 33 CA GLY A 0 17.538 -2.556 3.508 1.00 0.00 C ATOM 34 C GLY A 0 16.774 -2.023 2.290 1.00 0.00 C ATOM 35 O GLY A 0 17.285 -1.143 1.598 1.00 0.00 O ATOM 0 H GLY A 0 16.701 -4.255 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 0 18.048 -1.726 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 0 18.309 -3.247 3.167 1.00 0.00 H new ATOM 39 N SER A 1 15.564 -2.525 2.023 1.00 0.00 N ATOM 40 CA SER A 1 14.727 -2.164 0.864 1.00 0.00 C ATOM 41 C SER A 1 13.292 -2.731 0.976 1.00 0.00 C ATOM 42 O SER A 1 12.948 -3.440 1.926 1.00 0.00 O ATOM 43 CB SER A 1 15.396 -2.642 -0.444 1.00 0.00 C ATOM 44 OG SER A 1 14.844 -1.983 -1.578 1.00 0.00 O ATOM 0 H SER A 1 15.121 -3.218 2.626 1.00 0.00 H new ATOM 0 HA SER A 1 14.641 -1.078 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 1 16.468 -2.452 -0.397 1.00 0.00 H new ATOM 0 HB3 SER A 1 15.267 -3.719 -0.548 1.00 0.00 H new ATOM 0 HG SER A 1 15.287 -2.304 -2.391 1.00 0.00 H new ATOM 50 N SER A 2 12.452 -2.451 -0.021 1.00 0.00 N ATOM 51 CA SER A 2 11.113 -3.023 -0.241 1.00 0.00 C ATOM 52 C SER A 2 10.692 -2.837 -1.716 1.00 0.00 C ATOM 53 O SER A 2 11.448 -2.265 -2.512 1.00 0.00 O ATOM 54 CB SER A 2 10.076 -2.450 0.749 1.00 0.00 C ATOM 55 OG SER A 2 9.865 -1.054 0.591 1.00 0.00 O ATOM 0 H SER A 2 12.699 -1.777 -0.745 1.00 0.00 H new ATOM 0 HA SER A 2 11.155 -4.094 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.128 -2.972 0.615 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.408 -2.648 1.768 1.00 0.00 H new ATOM 0 HG SER A 2 9.199 -0.748 1.242 1.00 0.00 H new ATOM 61 N GLY A 3 9.513 -3.345 -2.109 1.00 0.00 N ATOM 62 CA GLY A 3 9.048 -3.363 -3.501 1.00 0.00 C ATOM 63 C GLY A 3 8.087 -2.224 -3.812 1.00 0.00 C ATOM 64 O GLY A 3 8.475 -1.209 -4.381 1.00 0.00 O ATOM 0 H GLY A 3 8.848 -3.760 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.908 -3.300 -4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.556 -4.314 -3.704 1.00 0.00 H new ATOM 68 N ILE A 4 6.810 -2.399 -3.467 1.00 0.00 N ATOM 69 CA ILE A 4 5.723 -1.486 -3.882 1.00 0.00 C ATOM 70 C ILE A 4 5.617 -0.221 -3.016 1.00 0.00 C ATOM 71 O ILE A 4 5.333 0.862 -3.527 1.00 0.00 O ATOM 72 CB ILE A 4 4.397 -2.271 -3.995 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.242 -1.448 -4.597 1.00 0.00 C ATOM 74 CG2 ILE A 4 3.946 -2.841 -2.639 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.481 -0.966 -6.032 1.00 0.00 C ATOM 0 H ILE A 4 6.491 -3.178 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 4 5.969 -1.099 -4.871 1.00 0.00 H new ATOM 0 HB ILE A 4 4.622 -3.088 -4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.335 -2.052 -4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.062 -0.581 -3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.010 -3.385 -2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.710 -3.518 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.798 -2.025 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.617 -0.396 -6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.368 -0.333 -6.060 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.629 -1.826 -6.685 1.00 0.00 H new ATOM 87 N LYS A 5 5.946 -0.317 -1.727 1.00 0.00 N ATOM 88 CA LYS A 5 6.032 0.835 -0.815 1.00 0.00 C ATOM 89 C LYS A 5 7.195 1.762 -1.225 1.00 0.00 C ATOM 90 O LYS A 5 7.043 2.983 -1.303 1.00 0.00 O ATOM 91 CB LYS A 5 6.165 0.269 0.613 1.00 0.00 C ATOM 92 CG LYS A 5 5.588 1.143 1.735 1.00 0.00 C ATOM 93 CD LYS A 5 6.429 2.380 2.079 1.00 0.00 C ATOM 94 CE LYS A 5 5.887 2.977 3.385 1.00 0.00 C ATOM 95 NZ LYS A 5 6.673 4.143 3.859 1.00 0.00 N ATOM 0 H LYS A 5 6.164 -1.206 -1.277 1.00 0.00 H new ATOM 0 HA LYS A 5 5.141 1.461 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.672 -0.703 0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.222 0.098 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.589 1.468 1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.478 0.534 2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.478 2.107 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.375 3.113 1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.851 3.280 3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.887 2.208 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.261 4.503 4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.657 3.852 4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.653 4.892 3.137 1.00 0.00 H new ATOM 109 N ASN A 6 8.329 1.159 -1.595 1.00 0.00 N ATOM 110 CA ASN A 6 9.480 1.822 -2.212 1.00 0.00 C ATOM 111 C ASN A 6 9.138 2.426 -3.587 1.00 0.00 C ATOM 112 O ASN A 6 9.575 3.533 -3.898 1.00 0.00 O ATOM 113 CB ASN A 6 10.591 0.771 -2.351 1.00 0.00 C ATOM 114 CG ASN A 6 11.960 1.300 -2.763 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.253 2.489 -2.728 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.845 0.400 -3.150 1.00 0.00 N ATOM 0 H ASN A 6 8.475 0.158 -1.468 1.00 0.00 H new ATOM 0 HA ASN A 6 9.798 2.654 -1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.695 0.252 -1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.274 0.030 -3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.783 0.692 -3.424 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.591 -0.587 -3.175 1.00 0.00 H new ATOM 123 N PHE A 7 8.319 1.740 -4.396 1.00 0.00 N ATOM 124 CA PHE A 7 7.938 2.192 -5.737 1.00 0.00 C ATOM 125 C PHE A 7 7.105 3.476 -5.689 1.00 0.00 C ATOM 126 O PHE A 7 7.396 4.403 -6.441 1.00 0.00 O ATOM 127 CB PHE A 7 7.179 1.078 -6.467 1.00 0.00 C ATOM 128 CG PHE A 7 6.742 1.441 -7.871 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.634 1.294 -8.949 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.445 1.936 -8.099 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.226 1.636 -10.251 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.039 2.281 -9.399 1.00 0.00 C ATOM 133 CZ PHE A 7 5.929 2.126 -10.477 1.00 0.00 C ATOM 0 H PHE A 7 7.900 0.848 -4.134 1.00 0.00 H new ATOM 0 HA PHE A 7 8.850 2.422 -6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.813 0.192 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.299 0.810 -5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.632 0.919 -8.777 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.760 2.051 -7.272 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.911 1.522 -11.078 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.044 2.665 -9.570 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.615 2.384 -11.478 1.00 0.00 H new ATOM 143 N LEU A 8 6.121 3.565 -4.784 1.00 0.00 N ATOM 144 CA LEU A 8 5.339 4.792 -4.598 1.00 0.00 C ATOM 145 C LEU A 8 6.223 5.951 -4.117 1.00 0.00 C ATOM 146 O LEU A 8 6.130 7.059 -4.644 1.00 0.00 O ATOM 147 CB LEU A 8 4.176 4.512 -3.629 1.00 0.00 C ATOM 148 CG LEU A 8 3.214 5.709 -3.427 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.679 6.299 -4.742 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.022 5.271 -2.566 1.00 0.00 C ATOM 0 H LEU A 8 5.848 2.799 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 8 4.923 5.101 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.605 3.661 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.586 4.223 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 8 3.796 6.489 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.012 7.133 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.513 6.652 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.132 5.531 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.346 6.114 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.491 4.460 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.381 4.927 -1.596 1.00 0.00 H new ATOM 162 N TYR A 9 7.122 5.690 -3.165 1.00 0.00 N ATOM 163 CA TYR A 9 8.055 6.693 -2.648 1.00 0.00 C ATOM 164 C TYR A 9 9.035 7.207 -3.721 1.00 0.00 C ATOM 165 O TYR A 9 9.251 8.415 -3.839 1.00 0.00 O ATOM 166 CB TYR A 9 8.794 6.096 -1.442 1.00 0.00 C ATOM 167 CG TYR A 9 9.660 7.096 -0.701 1.00 0.00 C ATOM 168 CD1 TYR A 9 9.099 7.897 0.312 1.00 0.00 C ATOM 169 CD2 TYR A 9 11.023 7.237 -1.033 1.00 0.00 C ATOM 170 CE1 TYR A 9 9.892 8.843 0.990 1.00 0.00 C ATOM 171 CE2 TYR A 9 11.821 8.183 -0.362 1.00 0.00 C ATOM 172 CZ TYR A 9 11.256 8.991 0.652 1.00 0.00 C ATOM 173 OH TYR A 9 12.020 9.910 1.308 1.00 0.00 O ATOM 0 H TYR A 9 7.223 4.773 -2.730 1.00 0.00 H new ATOM 0 HA TYR A 9 7.487 7.569 -2.336 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.063 5.679 -0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.418 5.270 -1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.056 7.785 0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.456 6.617 -1.804 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.458 9.455 1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.864 8.292 -0.621 1.00 0.00 H new ATOM 0 HH TYR A 9 12.935 9.885 0.957 1.00 0.00 H new ATOM 183 N ALA A 10 9.583 6.307 -4.545 1.00 0.00 N ATOM 184 CA ALA A 10 10.480 6.637 -5.655 1.00 0.00 C ATOM 185 C ALA A 10 9.757 7.364 -6.802 1.00 0.00 C ATOM 186 O ALA A 10 10.292 8.323 -7.351 1.00 0.00 O ATOM 187 CB ALA A 10 11.148 5.343 -6.139 1.00 0.00 C ATOM 0 H ALA A 10 9.410 5.306 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 10 11.238 7.335 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.821 5.568 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.715 4.898 -5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.383 4.642 -6.474 1.00 0.00 H new ATOM 193 N TRP A 11 8.521 6.967 -7.125 1.00 0.00 N ATOM 194 CA TRP A 11 7.666 7.647 -8.101 1.00 0.00 C ATOM 195 C TRP A 11 7.372 9.092 -7.674 1.00 0.00 C ATOM 196 O TRP A 11 7.533 10.019 -8.467 1.00 0.00 O ATOM 197 CB TRP A 11 6.372 6.844 -8.270 1.00 0.00 C ATOM 198 CG TRP A 11 5.361 7.468 -9.180 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.249 7.268 -10.513 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.299 8.404 -8.828 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.209 8.031 -11.012 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.603 8.768 -10.017 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.850 8.977 -7.619 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.542 9.682 -10.005 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.773 9.881 -7.595 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.124 10.242 -8.788 1.00 0.00 C ATOM 0 H TRP A 11 8.080 6.148 -6.707 1.00 0.00 H new ATOM 0 HA TRP A 11 8.185 7.701 -9.058 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.622 5.854 -8.652 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.918 6.702 -7.289 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.876 6.612 -11.099 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.926 8.046 -11.992 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.343 8.716 -6.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.049 9.954 -10.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.443 10.300 -6.656 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.307 10.948 -8.768 1.00 0.00 H new ATOM 217 N CYS A 12 7.020 9.292 -6.399 1.00 0.00 N ATOM 218 CA CYS A 12 6.868 10.625 -5.801 1.00 0.00 C ATOM 219 C CYS A 12 8.169 11.446 -5.899 1.00 0.00 C ATOM 220 O CYS A 12 8.136 12.597 -6.335 1.00 0.00 O ATOM 221 CB CYS A 12 6.425 10.474 -4.339 1.00 0.00 C ATOM 222 SG CYS A 12 4.717 9.877 -4.210 1.00 0.00 S ATOM 0 H CYS A 12 6.831 8.529 -5.748 1.00 0.00 H new ATOM 0 HA CYS A 12 6.107 11.172 -6.358 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.092 9.780 -3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.513 11.435 -3.831 1.00 0.00 H new ATOM 0 HG CYS A 12 4.701 8.581 -4.317 1.00 0.00 H new ATOM 228 N GLY A 13 9.317 10.845 -5.567 1.00 0.00 N ATOM 229 CA GLY A 13 10.630 11.505 -5.570 1.00 0.00 C ATOM 230 C GLY A 13 11.125 11.907 -6.963 1.00 0.00 C ATOM 231 O GLY A 13 11.833 12.905 -7.095 1.00 0.00 O ATOM 0 H GLY A 13 9.362 9.866 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.578 12.396 -4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.361 10.837 -5.115 1.00 0.00 H new ATOM 235 N LYS A 14 10.694 11.205 -8.018 1.00 0.00 N ATOM 236 CA LYS A 14 10.968 11.555 -9.424 1.00 0.00 C ATOM 237 C LYS A 14 10.070 12.701 -9.941 1.00 0.00 C ATOM 238 O LYS A 14 10.295 13.224 -11.036 1.00 0.00 O ATOM 239 CB LYS A 14 10.825 10.285 -10.285 1.00 0.00 C ATOM 240 CG LYS A 14 11.999 9.314 -10.077 1.00 0.00 C ATOM 241 CD LYS A 14 11.758 7.994 -10.820 1.00 0.00 C ATOM 242 CE LYS A 14 12.944 7.046 -10.597 1.00 0.00 C ATOM 243 NZ LYS A 14 12.767 5.761 -11.322 1.00 0.00 N ATOM 0 H LYS A 14 10.133 10.359 -7.920 1.00 0.00 H new ATOM 0 HA LYS A 14 11.987 11.934 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.890 9.782 -10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.767 10.565 -11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.922 9.772 -10.432 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.129 9.118 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.838 7.529 -10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.629 8.184 -11.885 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.863 7.528 -10.931 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.057 6.849 -9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.588 5.148 -11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.904 5.289 -10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.685 5.946 -12.342 1.00 0.00 H new ATOM 257 N ARG A 15 9.075 13.100 -9.139 1.00 0.00 N ATOM 258 CA ARG A 15 8.075 14.141 -9.413 1.00 0.00 C ATOM 259 C ARG A 15 8.123 15.297 -8.389 1.00 0.00 C ATOM 260 O ARG A 15 7.229 16.142 -8.376 1.00 0.00 O ATOM 261 CB ARG A 15 6.685 13.478 -9.445 1.00 0.00 C ATOM 262 CG ARG A 15 6.543 12.410 -10.546 1.00 0.00 C ATOM 263 CD ARG A 15 5.164 11.742 -10.541 1.00 0.00 C ATOM 264 NE ARG A 15 4.086 12.684 -10.905 1.00 0.00 N ATOM 265 CZ ARG A 15 3.218 12.562 -11.904 1.00 0.00 C ATOM 266 NH1 ARG A 15 3.238 11.578 -12.775 1.00 0.00 N ATOM 267 NH2 ARG A 15 2.263 13.446 -12.070 1.00 0.00 N ATOM 0 H ARG A 15 8.938 12.677 -8.221 1.00 0.00 H new ATOM 0 HA ARG A 15 8.297 14.596 -10.378 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.487 13.019 -8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.927 14.247 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.717 12.870 -11.519 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.312 11.649 -10.411 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.165 10.906 -11.240 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.965 11.330 -9.552 1.00 0.00 H new ATOM 0 HE ARG A 15 3.998 13.519 -10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.949 10.850 -12.706 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.542 11.542 -13.520 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.182 14.236 -11.429 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.602 13.344 -12.840 1.00 0.00 H new ATOM 281 N LYS A 16 9.141 15.329 -7.513 1.00 0.00 N ATOM 282 CA LYS A 16 9.354 16.334 -6.448 1.00 0.00 C ATOM 283 C LYS A 16 8.259 16.320 -5.349 1.00 0.00 C ATOM 284 O LYS A 16 7.944 17.350 -4.747 1.00 0.00 O ATOM 285 CB LYS A 16 9.609 17.737 -7.053 1.00 0.00 C ATOM 286 CG LYS A 16 10.789 17.757 -8.042 1.00 0.00 C ATOM 287 CD LYS A 16 11.152 19.174 -8.511 1.00 0.00 C ATOM 288 CE LYS A 16 10.018 19.827 -9.314 1.00 0.00 C ATOM 289 NZ LYS A 16 10.400 21.178 -9.807 1.00 0.00 N ATOM 0 H LYS A 16 9.876 14.622 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 16 10.261 16.046 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.708 18.076 -7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.805 18.445 -6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.660 17.302 -7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.540 17.145 -8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.385 19.793 -7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.052 19.133 -9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.758 19.191 -10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.128 19.906 -8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.610 21.588 -10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.624 21.792 -8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.234 21.100 -10.423 1.00 0.00 H new ATOM 303 N MET A 17 7.671 15.146 -5.091 1.00 0.00 N ATOM 304 CA MET A 17 6.623 14.887 -4.088 1.00 0.00 C ATOM 305 C MET A 17 7.101 13.890 -3.016 1.00 0.00 C ATOM 306 O MET A 17 8.163 13.273 -3.152 1.00 0.00 O ATOM 307 CB MET A 17 5.369 14.336 -4.794 1.00 0.00 C ATOM 308 CG MET A 17 4.782 15.316 -5.815 1.00 0.00 C ATOM 309 SD MET A 17 3.172 14.841 -6.501 1.00 0.00 S ATOM 310 CE MET A 17 3.567 13.214 -7.189 1.00 0.00 C ATOM 0 H MET A 17 7.926 14.302 -5.604 1.00 0.00 H new ATOM 0 HA MET A 17 6.388 15.826 -3.587 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.622 13.403 -5.297 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.611 14.100 -4.047 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.684 16.293 -5.342 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.490 15.429 -6.636 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.696 12.818 -7.711 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.398 13.307 -7.889 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.846 12.536 -6.382 1.00 0.00 H new ATOM 320 N THR A 18 6.276 13.682 -1.983 1.00 0.00 N ATOM 321 CA THR A 18 6.466 12.683 -0.913 1.00 0.00 C ATOM 322 C THR A 18 5.095 12.110 -0.518 1.00 0.00 C ATOM 323 O THR A 18 4.174 12.910 -0.319 1.00 0.00 O ATOM 324 CB THR A 18 7.149 13.322 0.310 1.00 0.00 C ATOM 325 OG1 THR A 18 8.299 14.040 -0.086 1.00 0.00 O ATOM 326 CG2 THR A 18 7.595 12.281 1.339 1.00 0.00 C ATOM 0 H THR A 18 5.421 14.225 -1.860 1.00 0.00 H new ATOM 0 HA THR A 18 7.109 11.881 -1.277 1.00 0.00 H new ATOM 0 HB THR A 18 6.407 13.980 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.721 14.442 0.702 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.071 12.783 2.182 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.728 11.723 1.692 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.305 11.594 0.878 1.00 0.00 H new ATOM 334 N PRO A 19 4.922 10.776 -0.403 1.00 0.00 N ATOM 335 CA PRO A 19 3.661 10.169 0.016 1.00 0.00 C ATOM 336 C PRO A 19 3.474 10.285 1.535 1.00 0.00 C ATOM 337 O PRO A 19 4.445 10.323 2.294 1.00 0.00 O ATOM 338 CB PRO A 19 3.748 8.709 -0.435 1.00 0.00 C ATOM 339 CG PRO A 19 5.240 8.406 -0.315 1.00 0.00 C ATOM 340 CD PRO A 19 5.905 9.734 -0.678 1.00 0.00 C ATOM 0 HA PRO A 19 2.799 10.669 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.150 8.054 0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.390 8.579 -1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.505 8.087 0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.543 7.607 -0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.810 9.889 -0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.201 9.746 -1.727 1.00 0.00 H new ATOM 348 N ALA A 20 2.215 10.312 1.977 1.00 0.00 N ATOM 349 CA ALA A 20 1.828 10.425 3.383 1.00 0.00 C ATOM 350 C ALA A 20 0.888 9.278 3.784 1.00 0.00 C ATOM 351 O ALA A 20 -0.221 9.161 3.260 1.00 0.00 O ATOM 352 CB ALA A 20 1.183 11.801 3.602 1.00 0.00 C ATOM 0 H ALA A 20 1.414 10.254 1.348 1.00 0.00 H new ATOM 0 HA ALA A 20 2.707 10.342 4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.888 11.902 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.899 12.583 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.303 11.896 2.966 1.00 0.00 H new ATOM 358 N TYR A 21 1.341 8.441 4.721 1.00 0.00 N ATOM 359 CA TYR A 21 0.636 7.248 5.212 1.00 0.00 C ATOM 360 C TYR A 21 -0.063 7.500 6.567 1.00 0.00 C ATOM 361 O TYR A 21 0.351 8.371 7.339 1.00 0.00 O ATOM 362 CB TYR A 21 1.631 6.078 5.337 1.00 0.00 C ATOM 363 CG TYR A 21 2.244 5.579 4.037 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.353 6.239 3.469 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.730 4.426 3.409 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.928 5.766 2.274 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.308 3.940 2.221 1.00 0.00 C ATOM 368 CZ TYR A 21 3.405 4.616 1.642 1.00 0.00 C ATOM 369 OH TYR A 21 3.961 4.155 0.488 1.00 0.00 O ATOM 0 H TYR A 21 2.243 8.579 5.177 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.142 6.999 4.490 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.439 6.384 6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.121 5.244 5.818 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.764 7.112 3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.886 3.911 3.843 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.771 6.283 1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.913 3.051 1.752 1.00 0.00 H new ATOM 0 HH TYR A 21 4.838 4.572 0.358 1.00 0.00 H new ATOM 379 N GLU A 22 -1.090 6.706 6.887 1.00 0.00 N ATOM 380 CA GLU A 22 -1.804 6.723 8.175 1.00 0.00 C ATOM 381 C GLU A 22 -2.288 5.308 8.532 1.00 0.00 C ATOM 382 O GLU A 22 -2.756 4.581 7.660 1.00 0.00 O ATOM 383 CB GLU A 22 -2.963 7.736 8.113 1.00 0.00 C ATOM 384 CG GLU A 22 -3.621 7.950 9.482 1.00 0.00 C ATOM 385 CD GLU A 22 -4.641 9.098 9.436 1.00 0.00 C ATOM 386 OE1 GLU A 22 -4.242 10.274 9.614 1.00 0.00 O ATOM 387 OE2 GLU A 22 -5.850 8.833 9.237 1.00 0.00 O ATOM 0 H GLU A 22 -1.461 6.011 6.239 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.127 7.042 8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.590 8.689 7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.712 7.385 7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.117 7.032 9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.855 8.170 10.226 1.00 0.00 H new ATOM 394 N ILE A 23 -2.167 4.901 9.803 1.00 0.00 N ATOM 395 CA ILE A 23 -2.358 3.509 10.271 1.00 0.00 C ATOM 396 C ILE A 23 -3.372 3.430 11.430 1.00 0.00 C ATOM 397 O ILE A 23 -3.464 4.351 12.247 1.00 0.00 O ATOM 398 CB ILE A 23 -0.972 2.907 10.643 1.00 0.00 C ATOM 399 CG1 ILE A 23 -0.116 2.740 9.362 1.00 0.00 C ATOM 400 CG2 ILE A 23 -1.064 1.562 11.397 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.313 2.242 9.603 1.00 0.00 C ATOM 0 H ILE A 23 -1.927 5.543 10.559 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.789 2.911 9.468 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.499 3.610 11.329 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.621 2.043 8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.069 3.699 8.846 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.060 1.202 11.623 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.617 1.703 12.326 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.580 0.831 10.775 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.834 2.156 8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.841 2.948 10.243 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.281 1.266 10.088 1.00 0.00 H new ATOM 413 N ARG A 24 -4.101 2.306 11.514 1.00 0.00 N ATOM 414 CA ARG A 24 -5.062 1.969 12.579 1.00 0.00 C ATOM 415 C ARG A 24 -4.929 0.496 12.982 1.00 0.00 C ATOM 416 O ARG A 24 -4.850 -0.380 12.123 1.00 0.00 O ATOM 417 CB ARG A 24 -6.488 2.254 12.077 1.00 0.00 C ATOM 418 CG ARG A 24 -7.563 2.079 13.163 1.00 0.00 C ATOM 419 CD ARG A 24 -8.963 2.343 12.602 1.00 0.00 C ATOM 420 NE ARG A 24 -9.996 2.086 13.621 1.00 0.00 N ATOM 421 CZ ARG A 24 -11.310 2.173 13.448 1.00 0.00 C ATOM 422 NH1 ARG A 24 -11.844 2.524 12.295 1.00 0.00 N ATOM 423 NH2 ARG A 24 -12.118 1.905 14.451 1.00 0.00 N ATOM 0 H ARG A 24 -4.034 1.572 10.809 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.852 2.580 13.457 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.533 3.273 11.692 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.712 1.588 11.244 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.515 1.068 13.567 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.364 2.762 13.989 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.033 3.376 12.260 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.137 1.707 11.734 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.670 1.815 14.549 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.243 2.739 11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.858 2.580 12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.735 1.632 15.356 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.128 1.970 14.324 1.00 0.00 H new ATOM 437 N ALA A 25 -4.948 0.209 14.281 1.00 0.00 N ATOM 438 CA ALA A 25 -4.947 -1.155 14.829 1.00 0.00 C ATOM 439 C ALA A 25 -6.383 -1.707 14.945 1.00 0.00 C ATOM 440 O ALA A 25 -7.287 -0.983 15.367 1.00 0.00 O ATOM 441 CB ALA A 25 -4.237 -1.137 16.187 1.00 0.00 C ATOM 0 H ALA A 25 -4.965 0.930 15.002 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.410 -1.822 14.154 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.228 -2.143 16.606 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.212 -0.789 16.057 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.765 -0.466 16.865 1.00 0.00 H new ATOM 447 N VAL A 26 -6.591 -2.976 14.585 1.00 0.00 N ATOM 448 CA VAL A 26 -7.912 -3.638 14.511 1.00 0.00 C ATOM 449 C VAL A 26 -7.830 -5.124 14.897 1.00 0.00 C ATOM 450 O VAL A 26 -6.751 -5.716 14.896 1.00 0.00 O ATOM 451 CB VAL A 26 -8.563 -3.487 13.110 1.00 0.00 C ATOM 452 CG1 VAL A 26 -8.900 -2.025 12.770 1.00 0.00 C ATOM 453 CG2 VAL A 26 -7.707 -4.090 11.980 1.00 0.00 C ATOM 0 H VAL A 26 -5.825 -3.598 14.327 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.547 -3.129 15.236 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.492 -4.054 13.174 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.353 -1.977 11.780 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.599 -1.632 13.508 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.987 -1.429 12.781 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.216 -3.953 11.026 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.739 -3.590 11.950 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.560 -5.154 12.163 1.00 0.00 H new ATOM 463 N GLY A 27 -8.980 -5.730 15.216 1.00 0.00 N ATOM 464 CA GLY A 27 -9.115 -7.158 15.541 1.00 0.00 C ATOM 465 C GLY A 27 -8.840 -7.504 17.009 1.00 0.00 C ATOM 466 O GLY A 27 -8.671 -6.630 17.861 1.00 0.00 O ATOM 0 H GLY A 27 -9.867 -5.228 15.257 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.124 -7.482 15.287 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.430 -7.727 14.912 1.00 0.00 H new ATOM 470 N ASN A 28 -8.805 -8.808 17.296 1.00 0.00 N ATOM 471 CA ASN A 28 -8.494 -9.378 18.615 1.00 0.00 C ATOM 472 C ASN A 28 -7.109 -8.929 19.129 1.00 0.00 C ATOM 473 O ASN A 28 -6.153 -8.858 18.363 1.00 0.00 O ATOM 474 CB ASN A 28 -8.589 -10.911 18.495 1.00 0.00 C ATOM 475 CG ASN A 28 -8.137 -11.633 19.759 1.00 0.00 C ATOM 476 OD1 ASN A 28 -6.961 -11.920 19.934 1.00 0.00 O ATOM 477 ND2 ASN A 28 -9.039 -11.914 20.681 1.00 0.00 N ATOM 0 H ASN A 28 -8.999 -9.523 16.594 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.210 -9.015 19.352 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.619 -11.190 18.272 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.979 -11.243 17.655 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.757 -12.374 21.547 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.018 -11.671 20.528 1.00 0.00 H new ATOM 484 N LYS A 29 -6.977 -8.649 20.431 1.00 0.00 N ATOM 485 CA LYS A 29 -5.749 -8.094 21.034 1.00 0.00 C ATOM 486 C LYS A 29 -4.522 -9.013 20.913 1.00 0.00 C ATOM 487 O LYS A 29 -3.437 -8.568 20.536 1.00 0.00 O ATOM 488 CB LYS A 29 -6.023 -7.798 22.517 1.00 0.00 C ATOM 489 CG LYS A 29 -7.179 -6.821 22.775 1.00 0.00 C ATOM 490 CD LYS A 29 -7.032 -5.446 22.100 1.00 0.00 C ATOM 491 CE LYS A 29 -5.761 -4.703 22.543 1.00 0.00 C ATOM 492 NZ LYS A 29 -5.511 -3.499 21.709 1.00 0.00 N ATOM 0 H LYS A 29 -7.725 -8.801 21.107 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.503 -7.188 20.480 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.239 -8.737 23.027 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.116 -7.393 22.966 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.106 -7.280 22.432 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.276 -6.672 23.850 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.014 -5.577 21.018 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.905 -4.836 22.333 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.857 -4.409 23.588 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.905 -5.375 22.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.837 -2.874 22.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.115 -3.788 20.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.406 -2.991 21.556 1.00 0.00 H new ATOM 506 N ASN A 30 -4.701 -10.301 21.203 1.00 0.00 N ATOM 507 CA ASN A 30 -3.640 -11.315 21.088 1.00 0.00 C ATOM 508 C ASN A 30 -3.282 -11.663 19.622 1.00 0.00 C ATOM 509 O ASN A 30 -2.141 -12.026 19.331 1.00 0.00 O ATOM 510 CB ASN A 30 -4.063 -12.563 21.882 1.00 0.00 C ATOM 511 CG ASN A 30 -2.939 -13.591 22.008 1.00 0.00 C ATOM 512 OD1 ASN A 30 -1.801 -13.267 22.326 1.00 0.00 O ATOM 513 ND2 ASN A 30 -3.225 -14.860 21.773 1.00 0.00 N ATOM 0 H ASN A 30 -5.591 -10.679 21.527 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.725 -10.899 21.510 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.388 -12.262 22.878 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.920 -13.026 21.393 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.498 -15.571 21.856 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.173 -15.129 21.508 1.00 0.00 H new ATOM 520 N ARG A 31 -4.240 -11.511 18.695 1.00 0.00 N ATOM 521 CA ARG A 31 -4.119 -11.770 17.248 1.00 0.00 C ATOM 522 C ARG A 31 -4.359 -10.483 16.429 1.00 0.00 C ATOM 523 O ARG A 31 -5.178 -10.460 15.506 1.00 0.00 O ATOM 524 CB ARG A 31 -5.087 -12.902 16.849 1.00 0.00 C ATOM 525 CG ARG A 31 -4.847 -14.216 17.614 1.00 0.00 C ATOM 526 CD ARG A 31 -5.748 -15.356 17.113 1.00 0.00 C ATOM 527 NE ARG A 31 -7.186 -15.050 17.265 1.00 0.00 N ATOM 528 CZ ARG A 31 -7.916 -15.146 18.372 1.00 0.00 C ATOM 529 NH1 ARG A 31 -7.408 -15.555 19.516 1.00 0.00 N ATOM 530 NH2 ARG A 31 -9.191 -14.830 18.338 1.00 0.00 N ATOM 0 H ARG A 31 -5.173 -11.186 18.947 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.103 -12.093 17.023 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.111 -12.572 17.024 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.991 -13.091 15.780 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.802 -14.509 17.509 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.028 -14.053 18.677 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.531 -15.552 16.063 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.514 -16.268 17.662 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.672 -14.730 16.428 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.422 -15.811 19.574 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.000 -15.616 20.344 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.615 -14.513 17.466 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.757 -14.901 19.184 1.00 0.00 H new ATOM 544 N GLN A 32 -3.699 -9.387 16.812 1.00 0.00 N ATOM 545 CA GLN A 32 -3.994 -8.041 16.303 1.00 0.00 C ATOM 546 C GLN A 32 -3.498 -7.819 14.864 1.00 0.00 C ATOM 547 O GLN A 32 -2.515 -8.412 14.416 1.00 0.00 O ATOM 548 CB GLN A 32 -3.449 -6.994 17.293 1.00 0.00 C ATOM 549 CG GLN A 32 -4.080 -5.600 17.121 1.00 0.00 C ATOM 550 CD GLN A 32 -3.696 -4.654 18.260 1.00 0.00 C ATOM 551 OE1 GLN A 32 -4.408 -4.500 19.246 1.00 0.00 O ATOM 552 NE2 GLN A 32 -2.565 -3.985 18.175 1.00 0.00 N ATOM 0 H GLN A 32 -2.937 -9.407 17.490 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.076 -7.927 16.237 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.626 -7.341 18.311 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.369 -6.914 17.167 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.761 -5.172 16.171 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.165 -5.696 17.079 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.963 -4.103 17.360 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.291 -3.349 18.924 1.00 0.00 H new ATOM 561 N LYS A 33 -4.202 -6.941 14.148 1.00 0.00 N ATOM 562 CA LYS A 33 -3.997 -6.577 12.743 1.00 0.00 C ATOM 563 C LYS A 33 -3.955 -5.048 12.577 1.00 0.00 C ATOM 564 O LYS A 33 -4.389 -4.300 13.463 1.00 0.00 O ATOM 565 CB LYS A 33 -5.136 -7.197 11.911 1.00 0.00 C ATOM 566 CG LYS A 33 -4.991 -8.720 11.769 1.00 0.00 C ATOM 567 CD LYS A 33 -6.125 -9.312 10.925 1.00 0.00 C ATOM 568 CE LYS A 33 -5.961 -10.836 10.828 1.00 0.00 C ATOM 569 NZ LYS A 33 -7.051 -11.461 10.034 1.00 0.00 N ATOM 0 H LYS A 33 -4.983 -6.431 14.561 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.039 -6.963 12.394 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.093 -6.967 12.380 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.149 -6.741 10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.031 -8.955 11.308 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.991 -9.181 12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.089 -9.069 11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.116 -8.872 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.999 -11.069 10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.950 -11.265 11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.904 -12.490 9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.967 -11.260 10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.046 -11.071 9.070 1.00 0.00 H new ATOM 583 N PHE A 34 -3.458 -4.574 11.435 1.00 0.00 N ATOM 584 CA PHE A 34 -3.241 -3.159 11.142 1.00 0.00 C ATOM 585 C PHE A 34 -3.760 -2.797 9.747 1.00 0.00 C ATOM 586 O PHE A 34 -3.338 -3.376 8.746 1.00 0.00 O ATOM 587 CB PHE A 34 -1.747 -2.828 11.275 1.00 0.00 C ATOM 588 CG PHE A 34 -1.190 -3.039 12.669 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.334 -2.038 13.648 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.547 -4.248 12.996 1.00 0.00 C ATOM 591 CE1 PHE A 34 -0.828 -2.243 14.945 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.039 -4.451 14.291 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.174 -3.446 15.265 1.00 0.00 C ATOM 0 H PHE A 34 -3.187 -5.184 10.664 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.801 -2.563 11.862 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.185 -3.444 10.573 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.588 -1.789 10.985 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.833 -1.112 13.404 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.444 -5.022 12.250 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.942 -1.475 15.696 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.455 -5.379 14.538 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.224 -3.598 16.257 1.00 0.00 H new ATOM 603 N MET A 35 -4.650 -1.805 9.700 1.00 0.00 N ATOM 604 CA MET A 35 -5.104 -1.137 8.479 1.00 0.00 C ATOM 605 C MET A 35 -4.185 0.048 8.176 1.00 0.00 C ATOM 606 O MET A 35 -3.620 0.654 9.089 1.00 0.00 O ATOM 607 CB MET A 35 -6.548 -0.630 8.625 1.00 0.00 C ATOM 608 CG MET A 35 -7.529 -1.720 9.061 1.00 0.00 C ATOM 609 SD MET A 35 -9.278 -1.267 8.930 1.00 0.00 S ATOM 610 CE MET A 35 -9.487 -1.387 7.134 1.00 0.00 C ATOM 0 H MET A 35 -5.090 -1.431 10.541 1.00 0.00 H new ATOM 0 HA MET A 35 -5.072 -1.860 7.664 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.569 0.181 9.353 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.878 -0.213 7.673 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.353 -2.610 8.457 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.315 -1.989 10.095 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.929 -0.465 6.757 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.516 -1.543 6.664 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.143 -2.226 6.899 1.00 0.00 H new ATOM 620 N CYS A 36 -4.077 0.419 6.902 1.00 0.00 N ATOM 621 CA CYS A 36 -3.280 1.549 6.439 1.00 0.00 C ATOM 622 C CYS A 36 -3.981 2.283 5.290 1.00 0.00 C ATOM 623 O CYS A 36 -4.633 1.663 4.451 1.00 0.00 O ATOM 624 CB CYS A 36 -1.892 1.029 6.044 1.00 0.00 C ATOM 625 SG CYS A 36 -0.766 2.418 5.728 1.00 0.00 S ATOM 0 H CYS A 36 -4.554 -0.071 6.145 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.166 2.283 7.236 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.491 0.401 6.840 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.970 0.405 5.154 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.232 3.492 6.294 1.00 0.00 H new ATOM 631 N GLU A 37 -3.798 3.596 5.240 1.00 0.00 N ATOM 632 CA GLU A 37 -4.188 4.487 4.152 1.00 0.00 C ATOM 633 C GLU A 37 -2.950 5.249 3.657 1.00 0.00 C ATOM 634 O GLU A 37 -2.003 5.447 4.421 1.00 0.00 O ATOM 635 CB GLU A 37 -5.246 5.493 4.638 1.00 0.00 C ATOM 636 CG GLU A 37 -6.586 4.846 5.020 1.00 0.00 C ATOM 637 CD GLU A 37 -7.603 5.873 5.548 1.00 0.00 C ATOM 638 OE1 GLU A 37 -7.576 7.049 5.112 1.00 0.00 O ATOM 639 OE2 GLU A 37 -8.448 5.501 6.395 1.00 0.00 O ATOM 0 H GLU A 37 -3.346 4.099 6.004 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.611 3.895 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.853 6.031 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.419 6.231 3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.003 4.340 4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.415 4.084 5.780 1.00 0.00 H new ATOM 646 N VAL A 38 -2.965 5.708 2.403 1.00 0.00 N ATOM 647 CA VAL A 38 -1.913 6.552 1.811 1.00 0.00 C ATOM 648 C VAL A 38 -2.493 7.576 0.828 1.00 0.00 C ATOM 649 O VAL A 38 -3.443 7.287 0.097 1.00 0.00 O ATOM 650 CB VAL A 38 -0.783 5.709 1.170 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.224 4.992 -0.112 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.461 6.558 0.853 1.00 0.00 C ATOM 0 H VAL A 38 -3.724 5.501 1.753 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.459 7.114 2.627 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.533 4.958 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.389 4.418 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.051 4.319 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.546 5.728 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.228 5.926 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.192 7.352 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.845 6.998 1.773 1.00 0.00 H new ATOM 662 N ARG A 39 -1.906 8.775 0.840 1.00 0.00 N ATOM 663 CA ARG A 39 -2.280 9.951 0.045 1.00 0.00 C ATOM 664 C ARG A 39 -1.025 10.647 -0.509 1.00 0.00 C ATOM 665 O ARG A 39 0.075 10.472 0.017 1.00 0.00 O ATOM 666 CB ARG A 39 -3.085 10.925 0.931 1.00 0.00 C ATOM 667 CG ARG A 39 -4.469 10.380 1.320 1.00 0.00 C ATOM 668 CD ARG A 39 -5.179 11.311 2.313 1.00 0.00 C ATOM 669 NE ARG A 39 -6.524 10.816 2.662 1.00 0.00 N ATOM 670 CZ ARG A 39 -6.818 9.785 3.448 1.00 0.00 C ATOM 671 NH1 ARG A 39 -5.912 9.078 4.085 1.00 0.00 N ATOM 672 NH2 ARG A 39 -8.060 9.403 3.623 1.00 0.00 N ATOM 0 H ARG A 39 -1.106 8.964 1.443 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.893 9.635 -0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.517 11.138 1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.208 11.870 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.081 10.265 0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.361 9.389 1.761 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.579 11.402 3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.259 12.309 1.882 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.313 11.319 2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.924 9.311 3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.197 8.297 4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.817 9.899 3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.269 8.610 4.229 1.00 0.00 H new ATOM 686 N VAL A 40 -1.198 11.459 -1.552 1.00 0.00 N ATOM 687 CA VAL A 40 -0.148 12.276 -2.196 1.00 0.00 C ATOM 688 C VAL A 40 -0.749 13.643 -2.547 1.00 0.00 C ATOM 689 O VAL A 40 -1.879 13.712 -3.033 1.00 0.00 O ATOM 690 CB VAL A 40 0.427 11.593 -3.464 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.556 12.427 -4.093 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.990 10.189 -3.177 1.00 0.00 C ATOM 0 H VAL A 40 -2.109 11.576 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 40 0.684 12.392 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.415 11.511 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.935 11.917 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.171 13.407 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.364 12.549 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.379 9.758 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.793 10.262 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.197 9.552 -2.785 1.00 0.00 H new ATOM 702 N GLU A 41 -0.011 14.723 -2.274 1.00 0.00 N ATOM 703 CA GLU A 41 -0.455 16.102 -2.511 1.00 0.00 C ATOM 704 C GLU A 41 -0.783 16.348 -3.998 1.00 0.00 C ATOM 705 O GLU A 41 0.014 16.031 -4.884 1.00 0.00 O ATOM 706 CB GLU A 41 0.619 17.078 -1.997 1.00 0.00 C ATOM 707 CG GLU A 41 0.150 18.538 -2.038 1.00 0.00 C ATOM 708 CD GLU A 41 1.198 19.472 -1.413 1.00 0.00 C ATOM 709 OE1 GLU A 41 1.139 19.719 -0.185 1.00 0.00 O ATOM 710 OE2 GLU A 41 2.082 19.975 -2.147 1.00 0.00 O ATOM 0 H GLU A 41 0.926 14.664 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.380 16.273 -1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.886 16.814 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.521 16.972 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.037 18.835 -3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.794 18.635 -1.502 1.00 0.00 H new ATOM 717 N GLY A 42 -1.968 16.910 -4.266 1.00 0.00 N ATOM 718 CA GLY A 42 -2.478 17.178 -5.620 1.00 0.00 C ATOM 719 C GLY A 42 -3.383 16.080 -6.194 1.00 0.00 C ATOM 720 O GLY A 42 -3.873 16.238 -7.313 1.00 0.00 O ATOM 0 H GLY A 42 -2.615 17.198 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.033 18.116 -5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.631 17.319 -6.291 1.00 0.00 H new ATOM 724 N PHE A 43 -3.639 15.001 -5.441 1.00 0.00 N ATOM 725 CA PHE A 43 -4.524 13.894 -5.822 1.00 0.00 C ATOM 726 C PHE A 43 -5.643 13.717 -4.784 1.00 0.00 C ATOM 727 O PHE A 43 -5.383 13.639 -3.581 1.00 0.00 O ATOM 728 CB PHE A 43 -3.698 12.607 -5.985 1.00 0.00 C ATOM 729 CG PHE A 43 -2.615 12.699 -7.046 1.00 0.00 C ATOM 730 CD1 PHE A 43 -2.903 12.390 -8.389 1.00 0.00 C ATOM 731 CD2 PHE A 43 -1.324 13.136 -6.695 1.00 0.00 C ATOM 732 CE1 PHE A 43 -1.905 12.517 -9.373 1.00 0.00 C ATOM 733 CE2 PHE A 43 -0.332 13.272 -7.680 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.620 12.961 -9.020 1.00 0.00 C ATOM 0 H PHE A 43 -3.221 14.872 -4.520 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.998 14.122 -6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.236 12.360 -5.029 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.369 11.786 -6.236 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.892 12.055 -8.665 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.095 13.367 -5.665 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.127 12.273 -10.401 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.655 13.616 -7.407 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.144 13.063 -9.776 1.00 0.00 H new ATOM 744 N ASN A 44 -6.894 13.660 -5.251 1.00 0.00 N ATOM 745 CA ASN A 44 -8.086 13.573 -4.394 1.00 0.00 C ATOM 746 C ASN A 44 -8.336 12.156 -3.827 1.00 0.00 C ATOM 747 O ASN A 44 -8.991 12.002 -2.794 1.00 0.00 O ATOM 748 CB ASN A 44 -9.290 14.080 -5.208 1.00 0.00 C ATOM 749 CG ASN A 44 -10.574 14.146 -4.386 1.00 0.00 C ATOM 750 OD1 ASN A 44 -11.447 13.292 -4.490 1.00 0.00 O ATOM 751 ND2 ASN A 44 -10.731 15.161 -3.553 1.00 0.00 N ATOM 0 H ASN A 44 -7.113 13.673 -6.247 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.928 14.196 -3.514 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.065 15.071 -5.602 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.446 13.424 -6.065 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.581 15.235 -2.994 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.002 15.870 -3.469 1.00 0.00 H new ATOM 758 N TYR A 45 -7.797 11.120 -4.478 1.00 0.00 N ATOM 759 CA TYR A 45 -7.914 9.719 -4.059 1.00 0.00 C ATOM 760 C TYR A 45 -7.083 9.388 -2.801 1.00 0.00 C ATOM 761 O TYR A 45 -6.078 10.041 -2.506 1.00 0.00 O ATOM 762 CB TYR A 45 -7.503 8.830 -5.240 1.00 0.00 C ATOM 763 CG TYR A 45 -7.775 7.349 -5.051 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.085 6.857 -5.199 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.727 6.464 -4.725 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.352 5.485 -5.034 1.00 0.00 C ATOM 767 CE2 TYR A 45 -6.986 5.090 -4.555 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.299 4.595 -4.717 1.00 0.00 C ATOM 769 OH TYR A 45 -8.546 3.263 -4.581 1.00 0.00 O ATOM 0 H TYR A 45 -7.253 11.235 -5.333 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.950 9.531 -3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.029 9.170 -6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.438 8.968 -5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.890 7.536 -5.440 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.722 6.841 -4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.359 5.112 -5.149 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.182 4.416 -4.301 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.712 2.796 -4.364 1.00 0.00 H new ATOM 779 N ALA A 46 -7.488 8.337 -2.083 1.00 0.00 N ATOM 780 CA ALA A 46 -6.733 7.730 -0.988 1.00 0.00 C ATOM 781 C ALA A 46 -6.751 6.201 -1.136 1.00 0.00 C ATOM 782 O ALA A 46 -7.817 5.580 -1.117 1.00 0.00 O ATOM 783 CB ALA A 46 -7.342 8.193 0.342 1.00 0.00 C ATOM 0 H ALA A 46 -8.379 7.872 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.689 8.044 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.789 7.748 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.285 9.279 0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.385 7.881 0.393 1.00 0.00 H new ATOM 789 N GLY A 47 -5.566 5.602 -1.297 1.00 0.00 N ATOM 790 CA GLY A 47 -5.385 4.151 -1.398 1.00 0.00 C ATOM 791 C GLY A 47 -5.263 3.531 -0.013 1.00 0.00 C ATOM 792 O GLY A 47 -4.782 4.189 0.913 1.00 0.00 O ATOM 0 H GLY A 47 -4.691 6.122 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.229 3.709 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.492 3.930 -1.982 1.00 0.00 H new ATOM 796 N MET A 48 -5.687 2.277 0.143 1.00 0.00 N ATOM 797 CA MET A 48 -5.796 1.613 1.441 1.00 0.00 C ATOM 798 C MET A 48 -5.558 0.099 1.391 1.00 0.00 C ATOM 799 O MET A 48 -5.796 -0.561 0.378 1.00 0.00 O ATOM 800 CB MET A 48 -7.150 1.953 2.080 1.00 0.00 C ATOM 801 CG MET A 48 -8.360 1.450 1.278 1.00 0.00 C ATOM 802 SD MET A 48 -9.971 1.806 2.030 1.00 0.00 S ATOM 803 CE MET A 48 -9.914 0.690 3.458 1.00 0.00 C ATOM 0 H MET A 48 -5.968 1.686 -0.640 1.00 0.00 H new ATOM 0 HA MET A 48 -4.989 1.999 2.065 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.186 1.524 3.081 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.226 3.034 2.194 1.00 0.00 H new ATOM 0 HG2 MET A 48 -8.331 1.898 0.285 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.267 0.372 1.145 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.901 0.637 3.918 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.613 -0.305 3.130 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.194 1.066 4.185 1.00 0.00 H new ATOM 813 N GLY A 49 -5.070 -0.443 2.510 1.00 0.00 N ATOM 814 CA GLY A 49 -4.749 -1.857 2.710 1.00 0.00 C ATOM 815 C GLY A 49 -4.858 -2.291 4.170 1.00 0.00 C ATOM 816 O GLY A 49 -5.131 -1.484 5.058 1.00 0.00 O ATOM 0 H GLY A 49 -4.879 0.119 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.420 -2.466 2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.737 -2.048 2.354 1.00 0.00 H new ATOM 820 N ASN A 50 -4.620 -3.577 4.420 1.00 0.00 N ATOM 821 CA ASN A 50 -4.596 -4.186 5.751 1.00 0.00 C ATOM 822 C ASN A 50 -3.660 -5.403 5.774 1.00 0.00 C ATOM 823 O ASN A 50 -3.411 -6.024 4.739 1.00 0.00 O ATOM 824 CB ASN A 50 -6.035 -4.536 6.163 1.00 0.00 C ATOM 825 CG ASN A 50 -6.139 -5.381 7.429 1.00 0.00 C ATOM 826 OD1 ASN A 50 -5.993 -4.899 8.542 1.00 0.00 O ATOM 827 ND2 ASN A 50 -6.378 -6.671 7.285 1.00 0.00 N ATOM 0 H ASN A 50 -4.432 -4.249 3.676 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.196 -3.482 6.481 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.593 -3.611 6.311 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.515 -5.070 5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.442 -7.273 8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.499 -7.066 6.353 1.00 0.00 H new ATOM 834 N SER A 51 -3.151 -5.746 6.954 1.00 0.00 N ATOM 835 CA SER A 51 -2.285 -6.914 7.190 1.00 0.00 C ATOM 836 C SER A 51 -2.119 -7.230 8.691 1.00 0.00 C ATOM 837 O SER A 51 -2.706 -6.564 9.546 1.00 0.00 O ATOM 838 CB SER A 51 -0.915 -6.703 6.521 1.00 0.00 C ATOM 839 OG SER A 51 -0.269 -7.951 6.346 1.00 0.00 O ATOM 0 H SER A 51 -3.331 -5.208 7.802 1.00 0.00 H new ATOM 0 HA SER A 51 -2.773 -7.778 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.043 -6.211 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.298 -6.047 7.134 1.00 0.00 H new ATOM 0 HG SER A 51 0.123 -7.993 5.449 1.00 0.00 H new ATOM 845 N THR A 52 -1.295 -8.231 9.023 1.00 0.00 N ATOM 846 CA THR A 52 -0.897 -8.598 10.396 1.00 0.00 C ATOM 847 C THR A 52 0.153 -7.662 10.991 1.00 0.00 C ATOM 848 O THR A 52 0.429 -7.733 12.188 1.00 0.00 O ATOM 849 CB THR A 52 -0.358 -10.033 10.425 1.00 0.00 C ATOM 850 OG1 THR A 52 0.707 -10.138 9.499 1.00 0.00 O ATOM 851 CG2 THR A 52 -1.445 -11.048 10.068 1.00 0.00 C ATOM 0 H THR A 52 -0.868 -8.833 8.319 1.00 0.00 H new ATOM 0 HA THR A 52 -1.796 -8.511 11.006 1.00 0.00 H new ATOM 0 HB THR A 52 -0.013 -10.254 11.435 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.061 -11.052 9.510 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.027 -12.054 10.099 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.263 -10.973 10.785 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.821 -10.841 9.066 1.00 0.00 H new ATOM 859 N ASN A 53 0.742 -6.788 10.172 1.00 0.00 N ATOM 860 CA ASN A 53 1.873 -5.931 10.524 1.00 0.00 C ATOM 861 C ASN A 53 1.866 -4.608 9.738 1.00 0.00 C ATOM 862 O ASN A 53 1.379 -4.531 8.607 1.00 0.00 O ATOM 863 CB ASN A 53 3.183 -6.715 10.323 1.00 0.00 C ATOM 864 CG ASN A 53 3.481 -6.981 8.852 1.00 0.00 C ATOM 865 OD1 ASN A 53 4.150 -6.190 8.196 1.00 0.00 O ATOM 866 ND2 ASN A 53 2.983 -8.070 8.294 1.00 0.00 N ATOM 0 H ASN A 53 0.432 -6.654 9.210 1.00 0.00 H new ATOM 0 HA ASN A 53 1.787 -5.651 11.574 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.009 -6.156 10.763 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.121 -7.664 10.856 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.153 -8.261 7.307 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.428 -8.720 8.851 1.00 0.00 H new ATOM 873 N LYS A 54 2.437 -3.558 10.337 1.00 0.00 N ATOM 874 CA LYS A 54 2.419 -2.189 9.797 1.00 0.00 C ATOM 875 C LYS A 54 3.198 -2.011 8.482 1.00 0.00 C ATOM 876 O LYS A 54 2.862 -1.134 7.685 1.00 0.00 O ATOM 877 CB LYS A 54 2.967 -1.238 10.876 1.00 0.00 C ATOM 878 CG LYS A 54 2.035 -1.131 12.095 1.00 0.00 C ATOM 879 CD LYS A 54 2.551 -0.075 13.081 1.00 0.00 C ATOM 880 CE LYS A 54 1.629 0.003 14.305 1.00 0.00 C ATOM 881 NZ LYS A 54 2.112 1.002 15.295 1.00 0.00 N ATOM 0 H LYS A 54 2.933 -3.634 11.225 1.00 0.00 H new ATOM 0 HA LYS A 54 1.384 -1.956 9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.947 -1.589 11.201 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.110 -0.248 10.444 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.029 -0.869 11.768 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.967 -2.098 12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.564 -0.325 13.395 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.600 0.897 12.591 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.621 0.266 13.985 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.568 -0.977 14.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.464 1.027 16.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.064 0.737 15.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.146 1.942 14.851 1.00 0.00 H new ATOM 895 N LYS A 55 4.227 -2.826 8.229 1.00 0.00 N ATOM 896 CA LYS A 55 5.038 -2.747 7.002 1.00 0.00 C ATOM 897 C LYS A 55 4.248 -3.249 5.781 1.00 0.00 C ATOM 898 O LYS A 55 4.079 -2.516 4.806 1.00 0.00 O ATOM 899 CB LYS A 55 6.363 -3.519 7.166 1.00 0.00 C ATOM 900 CG LYS A 55 7.400 -2.847 8.088 1.00 0.00 C ATOM 901 CD LYS A 55 7.220 -3.058 9.602 1.00 0.00 C ATOM 902 CE LYS A 55 7.326 -4.542 9.991 1.00 0.00 C ATOM 903 NZ LYS A 55 7.363 -4.727 11.466 1.00 0.00 N ATOM 0 H LYS A 55 4.525 -3.562 8.869 1.00 0.00 H new ATOM 0 HA LYS A 55 5.282 -1.699 6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.141 -4.512 7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.810 -3.657 6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.389 -3.211 7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.387 -1.775 7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.976 -2.487 10.141 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.249 -2.671 9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.477 -5.087 9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.226 -4.970 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.435 -5.741 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.187 -4.228 11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.493 -4.342 11.886 1.00 0.00 H new ATOM 917 N ASP A 56 3.691 -4.459 5.857 1.00 0.00 N ATOM 918 CA ASP A 56 2.899 -5.047 4.772 1.00 0.00 C ATOM 919 C ASP A 56 1.567 -4.310 4.558 1.00 0.00 C ATOM 920 O ASP A 56 1.127 -4.169 3.421 1.00 0.00 O ATOM 921 CB ASP A 56 2.683 -6.537 5.053 1.00 0.00 C ATOM 922 CG ASP A 56 2.065 -7.269 3.850 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.793 -7.503 2.858 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.869 -7.640 3.927 1.00 0.00 O ATOM 0 H ASP A 56 3.776 -5.062 6.675 1.00 0.00 H new ATOM 0 HA ASP A 56 3.454 -4.937 3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.637 -6.999 5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.032 -6.651 5.920 1.00 0.00 H new ATOM 929 N ALA A 57 0.970 -3.751 5.619 1.00 0.00 N ATOM 930 CA ALA A 57 -0.206 -2.883 5.503 1.00 0.00 C ATOM 931 C ALA A 57 0.081 -1.618 4.668 1.00 0.00 C ATOM 932 O ALA A 57 -0.724 -1.268 3.803 1.00 0.00 O ATOM 933 CB ALA A 57 -0.715 -2.548 6.910 1.00 0.00 C ATOM 0 H ALA A 57 1.288 -3.888 6.578 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.988 -3.415 4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.590 -1.902 6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.986 -3.468 7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.068 -2.035 7.468 1.00 0.00 H new ATOM 939 N GLN A 58 1.239 -0.973 4.869 1.00 0.00 N ATOM 940 CA GLN A 58 1.685 0.157 4.040 1.00 0.00 C ATOM 941 C GLN A 58 1.957 -0.273 2.595 1.00 0.00 C ATOM 942 O GLN A 58 1.550 0.431 1.676 1.00 0.00 O ATOM 943 CB GLN A 58 2.946 0.808 4.629 1.00 0.00 C ATOM 944 CG GLN A 58 2.664 1.675 5.862 1.00 0.00 C ATOM 945 CD GLN A 58 3.959 2.104 6.548 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.576 3.109 6.218 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.434 1.337 7.507 1.00 0.00 N ATOM 0 H GLN A 58 1.894 -1.220 5.611 1.00 0.00 H new ATOM 0 HA GLN A 58 0.875 0.886 4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.657 0.027 4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.421 1.422 3.863 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.097 2.558 5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.044 1.119 6.566 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.926 0.498 7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.310 1.582 7.969 1.00 0.00 H new ATOM 956 N SER A 59 2.580 -1.431 2.364 1.00 0.00 N ATOM 957 CA SER A 59 2.763 -1.972 1.009 1.00 0.00 C ATOM 958 C SER A 59 1.427 -2.227 0.290 1.00 0.00 C ATOM 959 O SER A 59 1.298 -1.950 -0.904 1.00 0.00 O ATOM 960 CB SER A 59 3.574 -3.274 1.054 1.00 0.00 C ATOM 961 OG SER A 59 4.873 -3.058 1.585 1.00 0.00 O ATOM 0 H SER A 59 2.970 -2.018 3.102 1.00 0.00 H new ATOM 0 HA SER A 59 3.307 -1.215 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.049 -4.011 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.655 -3.689 0.049 1.00 0.00 H new ATOM 0 HG SER A 59 5.364 -3.906 1.602 1.00 0.00 H new ATOM 967 N ASN A 60 0.402 -2.692 1.011 1.00 0.00 N ATOM 968 CA ASN A 60 -0.924 -2.950 0.447 1.00 0.00 C ATOM 969 C ASN A 60 -1.684 -1.637 0.164 1.00 0.00 C ATOM 970 O ASN A 60 -2.323 -1.512 -0.882 1.00 0.00 O ATOM 971 CB ASN A 60 -1.703 -3.911 1.367 1.00 0.00 C ATOM 972 CG ASN A 60 -1.046 -5.292 1.492 1.00 0.00 C ATOM 973 OD1 ASN A 60 -0.292 -5.737 0.632 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.313 -6.019 2.564 1.00 0.00 N ATOM 0 H ASN A 60 0.471 -2.901 2.007 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.813 -3.439 -0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.789 -3.465 2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.716 -4.031 0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.893 -6.942 2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.939 -5.656 3.283 1.00 0.00 H new ATOM 981 N ALA A 61 -1.545 -0.621 1.028 1.00 0.00 N ATOM 982 CA ALA A 61 -2.048 0.735 0.780 1.00 0.00 C ATOM 983 C ALA A 61 -1.364 1.400 -0.426 1.00 0.00 C ATOM 984 O ALA A 61 -2.041 1.984 -1.273 1.00 0.00 O ATOM 985 CB ALA A 61 -1.867 1.568 2.054 1.00 0.00 C ATOM 0 H ALA A 61 -1.075 -0.720 1.928 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.107 0.674 0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.237 2.579 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.425 1.110 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.810 1.608 2.315 1.00 0.00 H new ATOM 991 N ALA A 62 -0.040 1.255 -0.544 1.00 0.00 N ATOM 992 CA ALA A 62 0.736 1.747 -1.679 1.00 0.00 C ATOM 993 C ALA A 62 0.297 1.081 -2.990 1.00 0.00 C ATOM 994 O ALA A 62 0.004 1.784 -3.959 1.00 0.00 O ATOM 995 CB ALA A 62 2.224 1.536 -1.381 1.00 0.00 C ATOM 0 H ALA A 62 0.529 0.784 0.160 1.00 0.00 H new ATOM 0 HA ALA A 62 0.556 2.813 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.818 1.899 -2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.496 2.085 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.418 0.474 -1.231 1.00 0.00 H new ATOM 1001 N ARG A 63 0.152 -0.253 -3.006 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.321 -0.993 -4.182 1.00 0.00 C ATOM 1003 C ARG A 63 -1.690 -0.507 -4.667 1.00 0.00 C ATOM 1004 O ARG A 63 -1.897 -0.403 -5.876 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.354 -2.506 -3.881 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.685 -3.374 -5.110 1.00 0.00 C ATOM 1007 CD ARG A 63 0.337 -3.249 -6.254 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.146 -3.882 -7.492 1.00 0.00 N ATOM 1009 CZ ARG A 63 -0.892 -3.311 -8.432 1.00 0.00 C ATOM 1010 NH1 ARG A 63 -1.403 -2.101 -8.298 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -1.138 -3.965 -9.546 1.00 0.00 N ATOM 0 H ARG A 63 0.360 -0.847 -2.203 1.00 0.00 H new ATOM 0 HA ARG A 63 0.385 -0.804 -4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.614 -2.810 -3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.093 -2.697 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.744 -4.418 -4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.670 -3.096 -5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.545 -2.196 -6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.277 -3.711 -5.953 1.00 0.00 H new ATOM 0 HE ARG A 63 0.118 -4.856 -7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.230 -1.566 -7.447 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.970 -1.701 -9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.757 -4.901 -9.682 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.709 -3.536 -10.274 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.590 -0.165 -3.745 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.933 0.341 -4.035 1.00 0.00 C ATOM 1027 C ASP A 64 -3.927 1.793 -4.553 1.00 0.00 C ATOM 1028 O ASP A 64 -4.695 2.120 -5.457 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.782 0.180 -2.766 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.279 0.422 -3.007 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.866 -0.273 -3.871 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.859 1.274 -2.298 1.00 0.00 O ATOM 0 H ASP A 64 -2.399 -0.234 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.368 -0.240 -4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.642 -0.825 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.425 0.876 -2.007 1.00 0.00 H new ATOM 1037 N PHE A 65 -3.012 2.648 -4.072 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.825 3.999 -4.617 1.00 0.00 C ATOM 1039 C PHE A 65 -2.130 3.980 -5.988 1.00 0.00 C ATOM 1040 O PHE A 65 -2.521 4.723 -6.884 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.066 4.875 -3.613 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.056 6.347 -3.987 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.116 7.183 -3.589 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -1.012 6.881 -4.766 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.141 8.535 -3.975 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -1.032 8.236 -5.142 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.100 9.061 -4.756 1.00 0.00 C ATOM 0 H PHE A 65 -2.385 2.424 -3.299 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.812 4.433 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.518 4.761 -2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.038 4.520 -3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.916 6.783 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.193 6.248 -5.076 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.961 9.169 -3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.223 8.643 -5.730 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.121 10.097 -5.059 1.00 0.00 H new ATOM 1057 N VAL A 66 -1.157 3.088 -6.195 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.521 2.877 -7.514 1.00 0.00 C ATOM 1059 C VAL A 66 -1.538 2.365 -8.537 1.00 0.00 C ATOM 1060 O VAL A 66 -1.516 2.781 -9.693 1.00 0.00 O ATOM 1061 CB VAL A 66 0.688 1.922 -7.414 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.279 1.546 -8.781 1.00 0.00 C ATOM 1063 CG2 VAL A 66 1.788 2.593 -6.585 1.00 0.00 C ATOM 0 H VAL A 66 -0.783 2.489 -5.459 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.150 3.843 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 66 0.327 1.006 -6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.125 0.873 -8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.517 1.050 -9.383 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.615 2.448 -9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.646 1.925 -6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.093 3.521 -7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.409 2.811 -5.586 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.488 1.535 -8.101 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.610 1.089 -8.934 1.00 0.00 C ATOM 1075 C ASN A 67 -4.464 2.283 -9.421 1.00 0.00 C ATOM 1076 O ASN A 67 -4.797 2.354 -10.604 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.390 -0.007 -8.176 1.00 0.00 C ATOM 1078 CG ASN A 67 -5.899 0.144 -8.252 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -6.557 -0.368 -9.150 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -6.473 0.875 -7.320 1.00 0.00 N ATOM 0 H ASN A 67 -2.502 1.151 -7.156 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.247 0.635 -9.856 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.112 -0.981 -8.579 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.086 0.003 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.482 1.023 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.909 1.293 -6.580 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.716 3.288 -8.575 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.328 4.558 -8.992 1.00 0.00 C ATOM 1089 C TYR A 68 -4.438 5.344 -9.972 1.00 0.00 C ATOM 1090 O TYR A 68 -4.926 5.771 -11.019 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.706 5.377 -7.749 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.880 6.866 -7.987 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -7.062 7.364 -8.566 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.843 7.754 -7.635 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.220 8.748 -8.776 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -4.992 9.136 -7.845 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.189 9.641 -8.402 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.355 10.986 -8.553 1.00 0.00 O ATOM 0 H TYR A 68 -4.501 3.245 -7.579 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.240 4.339 -9.548 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.635 4.979 -7.340 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.936 5.234 -6.991 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.851 6.683 -8.850 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.931 7.371 -7.202 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.128 9.127 -9.222 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.192 9.812 -7.581 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.840 11.458 -7.866 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.129 5.461 -9.706 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.184 6.156 -10.596 1.00 0.00 C ATOM 1110 C LEU A 69 -2.096 5.526 -11.997 1.00 0.00 C ATOM 1111 O LEU A 69 -1.966 6.252 -12.981 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.792 6.227 -9.955 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.659 7.073 -8.674 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.774 6.910 -8.147 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.979 8.554 -8.933 1.00 0.00 C ATOM 0 H LEU A 69 -2.694 5.077 -8.867 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.574 7.165 -10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.471 5.211 -9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.097 6.621 -10.696 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.379 6.725 -7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.897 7.500 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.963 5.859 -7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.481 7.255 -8.902 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.874 9.117 -8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.289 8.950 -9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.001 8.647 -9.300 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.227 4.203 -12.108 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.341 3.494 -13.401 1.00 0.00 C ATOM 1129 C VAL A 70 -3.668 3.818 -14.097 1.00 0.00 C ATOM 1130 O VAL A 70 -3.677 4.101 -15.294 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.187 1.964 -13.233 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.498 1.183 -14.522 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.760 1.609 -12.797 1.00 0.00 C ATOM 0 H VAL A 70 -2.258 3.580 -11.301 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.523 3.848 -14.029 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.911 1.676 -12.471 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.372 0.116 -14.340 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.525 1.380 -14.828 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.817 1.499 -15.312 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.672 0.528 -12.684 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.053 1.954 -13.551 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.540 2.092 -11.845 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.779 3.830 -13.348 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.119 4.135 -13.883 1.00 0.00 C ATOM 1145 C ARG A 71 -6.264 5.581 -14.389 1.00 0.00 C ATOM 1146 O ARG A 71 -7.063 5.827 -15.295 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.202 3.815 -12.839 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.391 2.302 -12.657 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.330 2.009 -11.483 1.00 0.00 C ATOM 1150 NE ARG A 71 -8.356 0.572 -11.165 1.00 0.00 N ATOM 1151 CZ ARG A 71 -9.112 -0.373 -11.710 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -9.986 -0.118 -12.660 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -8.982 -1.610 -11.286 1.00 0.00 N ATOM 0 H ARG A 71 -4.777 3.628 -12.348 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.254 3.494 -14.754 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.930 4.265 -11.884 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.146 4.265 -13.146 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.798 1.869 -13.571 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.425 1.829 -12.483 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.007 2.572 -10.607 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.337 2.348 -11.726 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.713 0.264 -10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.102 0.835 -13.004 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.548 -0.874 -13.052 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.310 -1.829 -10.551 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.554 -2.351 -11.692 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.460 6.523 -13.879 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.353 7.907 -14.403 1.00 0.00 C ATOM 1169 C ILE A 72 -4.153 8.120 -15.350 1.00 0.00 C ATOM 1170 O ILE A 72 -3.895 9.248 -15.766 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.411 8.955 -13.263 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.182 8.908 -12.332 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.718 8.796 -12.461 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -3.994 10.182 -11.501 1.00 0.00 C ATOM 0 H ILE A 72 -4.853 6.350 -13.078 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.232 8.063 -15.028 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.394 9.938 -13.734 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.279 8.056 -11.659 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.288 8.740 -12.932 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.748 9.538 -11.663 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.571 8.942 -13.123 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.760 7.796 -12.029 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.111 10.078 -10.870 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.865 11.035 -12.167 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.871 10.340 -10.874 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.418 7.054 -15.693 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.311 7.028 -16.665 1.00 0.00 C ATOM 1188 C ASN A 73 -1.047 7.809 -16.219 1.00 0.00 C ATOM 1189 O ASN A 73 -0.209 8.184 -17.042 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.828 7.421 -18.067 1.00 0.00 C ATOM 1191 CG ASN A 73 -1.888 7.005 -19.200 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -1.285 5.937 -19.185 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -1.748 7.828 -20.225 1.00 0.00 N ATOM 0 H ASN A 73 -3.586 6.137 -15.280 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.952 6.000 -16.718 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.804 6.963 -18.228 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.973 8.501 -18.103 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.139 7.575 -21.003 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.249 8.716 -20.238 1.00 0.00 H new ATOM 1200 N GLU A 74 -0.884 8.034 -14.909 1.00 0.00 N ATOM 1201 CA GLU A 74 0.291 8.683 -14.299 1.00 0.00 C ATOM 1202 C GLU A 74 1.390 7.679 -13.874 1.00 0.00 C ATOM 1203 O GLU A 74 2.484 8.082 -13.474 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.157 9.558 -13.117 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.012 10.767 -13.531 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.272 11.723 -14.482 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.847 12.170 -14.135 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.807 12.046 -15.568 1.00 0.00 O ATOM 0 H GLU A 74 -1.586 7.762 -14.221 1.00 0.00 H new ATOM 0 HA GLU A 74 0.749 9.312 -15.062 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.725 8.945 -12.418 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.725 9.914 -12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.923 10.414 -14.015 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.317 11.313 -12.638 1.00 0.00 H new ATOM 1215 N VAL A 75 1.117 6.376 -14.004 1.00 0.00 N ATOM 1216 CA VAL A 75 2.061 5.251 -13.876 1.00 0.00 C ATOM 1217 C VAL A 75 1.765 4.257 -15.006 1.00 0.00 C ATOM 1218 O VAL A 75 0.601 3.970 -15.284 1.00 0.00 O ATOM 1219 CB VAL A 75 1.925 4.539 -12.505 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.824 3.299 -12.413 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.339 5.421 -11.321 1.00 0.00 C ATOM 0 H VAL A 75 0.172 6.055 -14.215 1.00 0.00 H new ATOM 0 HA VAL A 75 3.080 5.632 -13.943 1.00 0.00 H new ATOM 0 HB VAL A 75 0.867 4.285 -12.447 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.698 2.830 -11.437 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.548 2.591 -13.194 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.865 3.594 -12.542 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.220 4.863 -10.392 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.382 5.717 -11.435 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.710 6.311 -11.293 1.00 0.00 H new ATOM 1231 N LYS A 76 2.804 3.708 -15.648 1.00 0.00 N ATOM 1232 CA LYS A 76 2.660 2.589 -16.592 1.00 0.00 C ATOM 1233 C LYS A 76 2.629 1.257 -15.824 1.00 0.00 C ATOM 1234 O LYS A 76 3.548 0.957 -15.061 1.00 0.00 O ATOM 1235 CB LYS A 76 3.809 2.588 -17.619 1.00 0.00 C ATOM 1236 CG LYS A 76 3.921 3.901 -18.411 1.00 0.00 C ATOM 1237 CD LYS A 76 5.019 3.802 -19.477 1.00 0.00 C ATOM 1238 CE LYS A 76 5.115 5.121 -20.257 1.00 0.00 C ATOM 1239 NZ LYS A 76 6.165 5.066 -21.307 1.00 0.00 N ATOM 0 H LYS A 76 3.766 4.025 -15.529 1.00 0.00 H new ATOM 0 HA LYS A 76 1.722 2.710 -17.133 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.750 2.404 -17.100 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.663 1.763 -18.316 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.966 4.127 -18.886 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.141 4.724 -17.731 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.976 3.579 -19.005 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.801 2.981 -20.160 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.152 5.342 -20.717 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.333 5.936 -19.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.199 5.975 -21.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.088 4.880 -20.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.944 4.305 -21.980 1.00 0.00 H new ATOM 1253 N SER A 77 1.607 0.429 -16.035 1.00 0.00 N ATOM 1254 CA SER A 77 1.426 -0.841 -15.307 1.00 0.00 C ATOM 1255 C SER A 77 2.642 -1.781 -15.403 1.00 0.00 C ATOM 1256 O SER A 77 3.007 -2.421 -14.415 1.00 0.00 O ATOM 1257 CB SER A 77 0.166 -1.554 -15.818 1.00 0.00 C ATOM 1258 OG SER A 77 0.194 -1.698 -17.234 1.00 0.00 O ATOM 0 H SER A 77 0.873 0.615 -16.718 1.00 0.00 H new ATOM 0 HA SER A 77 1.317 -0.587 -14.253 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.086 -2.536 -15.352 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.719 -0.989 -15.525 1.00 0.00 H new ATOM 0 HG SER A 77 -0.619 -2.157 -17.532 1.00 0.00 H new ATOM 1264 N GLU A 78 3.344 -1.783 -16.543 1.00 0.00 N ATOM 1265 CA GLU A 78 4.527 -2.621 -16.790 1.00 0.00 C ATOM 1266 C GLU A 78 5.726 -2.316 -15.867 1.00 0.00 C ATOM 1267 O GLU A 78 6.634 -3.142 -15.746 1.00 0.00 O ATOM 1268 CB GLU A 78 4.905 -2.593 -18.276 1.00 0.00 C ATOM 1269 CG GLU A 78 5.438 -1.227 -18.696 1.00 0.00 C ATOM 1270 CD GLU A 78 5.702 -1.168 -20.208 1.00 0.00 C ATOM 1271 OE1 GLU A 78 6.772 -1.637 -20.663 1.00 0.00 O ATOM 1272 OE2 GLU A 78 4.838 -0.651 -20.954 1.00 0.00 O ATOM 0 H GLU A 78 3.101 -1.190 -17.337 1.00 0.00 H new ATOM 0 HA GLU A 78 4.243 -3.640 -16.527 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.659 -3.355 -18.474 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.032 -2.844 -18.879 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.720 -0.454 -18.420 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.360 -1.013 -18.156 1.00 0.00 H new ATOM 1279 N GLU A 79 5.717 -1.168 -15.178 1.00 0.00 N ATOM 1280 CA GLU A 79 6.735 -0.779 -14.195 1.00 0.00 C ATOM 1281 C GLU A 79 6.386 -1.214 -12.757 1.00 0.00 C ATOM 1282 O GLU A 79 7.264 -1.220 -11.894 1.00 0.00 O ATOM 1283 CB GLU A 79 6.906 0.749 -14.220 1.00 0.00 C ATOM 1284 CG GLU A 79 7.460 1.310 -15.538 1.00 0.00 C ATOM 1285 CD GLU A 79 8.913 0.874 -15.790 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.830 1.397 -15.114 1.00 0.00 O ATOM 1287 OE2 GLU A 79 9.153 0.025 -16.682 1.00 0.00 O ATOM 0 H GLU A 79 4.984 -0.468 -15.292 1.00 0.00 H new ATOM 0 HA GLU A 79 7.657 -1.288 -14.476 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.940 1.213 -14.021 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.573 1.040 -13.408 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.834 0.976 -16.365 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.407 2.399 -15.518 1.00 0.00 H new ATOM 1294 N VAL A 80 5.129 -1.579 -12.483 1.00 0.00 N ATOM 1295 CA VAL A 80 4.610 -1.796 -11.118 1.00 0.00 C ATOM 1296 C VAL A 80 5.072 -3.156 -10.557 1.00 0.00 C ATOM 1297 O VAL A 80 4.781 -4.183 -11.177 1.00 0.00 O ATOM 1298 CB VAL A 80 3.065 -1.697 -11.065 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.544 -1.883 -9.630 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.576 -0.333 -11.587 1.00 0.00 C ATOM 0 H VAL A 80 4.430 -1.735 -13.209 1.00 0.00 H new ATOM 0 HA VAL A 80 5.020 -1.001 -10.495 1.00 0.00 H new ATOM 0 HB VAL A 80 2.678 -2.493 -11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.457 -1.808 -9.625 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.842 -2.864 -9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.964 -1.109 -8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.488 -0.293 -11.538 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.996 0.464 -10.973 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.897 -0.202 -12.620 1.00 0.00 H new ATOM 1310 N PRO A 81 5.757 -3.197 -9.393 1.00 0.00 N ATOM 1311 CA PRO A 81 6.197 -4.437 -8.760 1.00 0.00 C ATOM 1312 C PRO A 81 5.071 -5.082 -7.936 1.00 0.00 C ATOM 1313 O PRO A 81 4.215 -4.397 -7.375 1.00 0.00 O ATOM 1314 CB PRO A 81 7.377 -4.032 -7.874 1.00 0.00 C ATOM 1315 CG PRO A 81 7.000 -2.622 -7.429 1.00 0.00 C ATOM 1316 CD PRO A 81 6.262 -2.053 -8.642 1.00 0.00 C ATOM 0 HA PRO A 81 6.481 -5.188 -9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.495 -4.706 -7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.318 -4.044 -8.424 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.365 -2.636 -6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.881 -2.030 -7.180 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.445 -1.403 -8.329 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.931 -1.451 -9.256 1.00 0.00 H new ATOM 1324 N ALA A 82 5.099 -6.413 -7.835 1.00 0.00 N ATOM 1325 CA ALA A 82 4.171 -7.196 -7.018 1.00 0.00 C ATOM 1326 C ALA A 82 4.754 -7.465 -5.615 1.00 0.00 C ATOM 1327 O ALA A 82 5.909 -7.878 -5.489 1.00 0.00 O ATOM 1328 CB ALA A 82 3.861 -8.503 -7.763 1.00 0.00 C ATOM 0 H ALA A 82 5.782 -6.988 -8.329 1.00 0.00 H new ATOM 0 HA ALA A 82 3.248 -6.637 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.170 -9.104 -7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.408 -8.273 -8.728 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.784 -9.061 -7.919 1.00 0.00 H new ATOM 1334 N VAL A 83 3.949 -7.275 -4.562 1.00 0.00 N ATOM 1335 CA VAL A 83 4.317 -7.516 -3.158 1.00 0.00 C ATOM 1336 C VAL A 83 4.652 -8.990 -2.837 1.00 0.00 C ATOM 1337 O VAL A 83 5.327 -9.273 -1.848 1.00 0.00 O ATOM 1338 CB VAL A 83 3.183 -6.971 -2.255 1.00 0.00 C ATOM 1339 CG1 VAL A 83 2.027 -7.957 -2.017 1.00 0.00 C ATOM 1340 CG2 VAL A 83 3.753 -6.447 -0.943 1.00 0.00 C ATOM 0 H VAL A 83 2.992 -6.938 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 83 5.247 -6.984 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 83 2.732 -6.145 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.279 -7.492 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.572 -8.221 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.410 -8.857 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.943 -6.068 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.265 -7.255 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.460 -5.643 -1.149 1.00 0.00 H new ATOM 1350 N GLY A 84 4.207 -9.922 -3.691 1.00 0.00 N ATOM 1351 CA GLY A 84 4.506 -11.355 -3.641 1.00 0.00 C ATOM 1352 C GLY A 84 4.038 -12.073 -4.909 1.00 0.00 C ATOM 1353 O GLY A 84 3.086 -11.634 -5.558 1.00 0.00 O ATOM 0 H GLY A 84 3.598 -9.682 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.579 -11.499 -3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.021 -11.798 -2.771 1.00 0.00 H new ATOM 1357 N ILE A 85 4.704 -13.172 -5.273 1.00 0.00 N ATOM 1358 CA ILE A 85 4.420 -13.976 -6.479 1.00 0.00 C ATOM 1359 C ILE A 85 4.297 -15.458 -6.082 1.00 0.00 C ATOM 1360 O ILE A 85 5.217 -16.011 -5.476 1.00 0.00 O ATOM 1361 CB ILE A 85 5.509 -13.747 -7.562 1.00 0.00 C ATOM 1362 CG1 ILE A 85 5.647 -12.242 -7.906 1.00 0.00 C ATOM 1363 CG2 ILE A 85 5.177 -14.570 -8.825 1.00 0.00 C ATOM 1364 CD1 ILE A 85 6.689 -11.913 -8.983 1.00 0.00 C ATOM 0 H ILE A 85 5.480 -13.543 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 85 3.473 -13.661 -6.918 1.00 0.00 H new ATOM 0 HB ILE A 85 6.467 -14.083 -7.165 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.677 -11.870 -8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.904 -11.699 -6.996 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.946 -14.404 -9.580 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.142 -15.629 -8.570 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.209 -14.259 -9.218 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.710 -10.836 -9.152 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.672 -12.248 -8.652 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.426 -12.421 -9.911 1.00 0.00 H new ATOM 1376 N VAL A 86 3.172 -16.095 -6.422 1.00 0.00 N ATOM 1377 CA VAL A 86 2.836 -17.500 -6.099 1.00 0.00 C ATOM 1378 C VAL A 86 2.007 -18.083 -7.262 1.00 0.00 C ATOM 1379 O VAL A 86 1.050 -17.424 -7.684 1.00 0.00 O ATOM 1380 CB VAL A 86 2.034 -17.608 -4.771 1.00 0.00 C ATOM 1381 CG1 VAL A 86 1.757 -19.074 -4.389 1.00 0.00 C ATOM 1382 CG2 VAL A 86 2.736 -16.942 -3.573 1.00 0.00 C ATOM 0 H VAL A 86 2.434 -15.632 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 86 3.761 -18.062 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 86 1.103 -17.079 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.195 -19.107 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.178 -19.553 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.702 -19.602 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.120 -17.056 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.704 -17.416 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.882 -15.882 -3.780 1.00 0.00 H new ATOM 1392 N PRO A 87 2.342 -19.274 -7.804 1.00 0.00 N ATOM 1393 CA PRO A 87 1.618 -19.876 -8.925 1.00 0.00 C ATOM 1394 C PRO A 87 0.235 -20.410 -8.493 1.00 0.00 C ATOM 1395 O PRO A 87 0.048 -20.705 -7.309 1.00 0.00 O ATOM 1396 CB PRO A 87 2.526 -21.001 -9.435 1.00 0.00 C ATOM 1397 CG PRO A 87 3.287 -21.432 -8.184 1.00 0.00 C ATOM 1398 CD PRO A 87 3.473 -20.115 -7.431 1.00 0.00 C ATOM 0 HA PRO A 87 1.409 -19.144 -9.705 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.949 -21.823 -9.858 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.201 -20.650 -10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.723 -22.157 -7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.242 -21.895 -8.431 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.497 -20.282 -6.354 1.00 0.00 H new ATOM 0 HD3 PRO A 87 4.417 -19.641 -7.701 1.00 0.00 H new ATOM 1406 N PRO A 88 -0.735 -20.555 -9.423 1.00 0.00 N ATOM 1407 CA PRO A 88 -2.080 -21.046 -9.122 1.00 0.00 C ATOM 1408 C PRO A 88 -2.065 -22.431 -8.439 1.00 0.00 C ATOM 1409 O PRO A 88 -1.490 -23.369 -9.001 1.00 0.00 O ATOM 1410 CB PRO A 88 -2.823 -21.091 -10.464 1.00 0.00 C ATOM 1411 CG PRO A 88 -2.106 -20.032 -11.296 1.00 0.00 C ATOM 1412 CD PRO A 88 -0.660 -20.156 -10.823 1.00 0.00 C ATOM 0 HA PRO A 88 -2.577 -20.387 -8.410 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -2.760 -22.076 -10.926 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.882 -20.861 -10.346 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -2.200 -20.224 -12.365 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.507 -19.035 -11.115 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.118 -20.895 -11.412 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.130 -19.210 -10.932 1.00 0.00 H new ATOM 1420 N PRO A 89 -2.680 -22.586 -7.247 1.00 0.00 N ATOM 1421 CA PRO A 89 -2.712 -23.847 -6.510 1.00 0.00 C ATOM 1422 C PRO A 89 -3.825 -24.776 -7.016 1.00 0.00 C ATOM 1423 O PRO A 89 -4.792 -24.342 -7.643 1.00 0.00 O ATOM 1424 CB PRO A 89 -2.941 -23.439 -5.051 1.00 0.00 C ATOM 1425 CG PRO A 89 -3.826 -22.200 -5.180 1.00 0.00 C ATOM 1426 CD PRO A 89 -3.291 -21.530 -6.447 1.00 0.00 C ATOM 0 HA PRO A 89 -1.790 -24.414 -6.638 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.432 -24.229 -4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -2.004 -23.215 -4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.879 -22.464 -5.276 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.739 -21.549 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -4.096 -21.042 -6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.561 -20.759 -6.200 1.00 0.00 H new ATOM 1434 N SER A 90 -3.717 -26.068 -6.696 1.00 0.00 N ATOM 1435 CA SER A 90 -4.715 -27.097 -7.051 1.00 0.00 C ATOM 1436 C SER A 90 -6.008 -27.038 -6.205 1.00 0.00 C ATOM 1437 O SER A 90 -6.937 -27.818 -6.432 1.00 0.00 O ATOM 1438 CB SER A 90 -4.089 -28.498 -6.930 1.00 0.00 C ATOM 1439 OG SER A 90 -2.888 -28.608 -7.687 1.00 0.00 O ATOM 0 H SER A 90 -2.924 -26.441 -6.175 1.00 0.00 H new ATOM 0 HA SER A 90 -5.008 -26.889 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.879 -28.713 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.804 -29.246 -7.272 1.00 0.00 H new ATOM 0 HG SER A 90 -2.518 -29.510 -7.585 1.00 0.00 H new ATOM 1445 N GLY A 91 -6.083 -26.142 -5.211 1.00 0.00 N ATOM 1446 CA GLY A 91 -7.243 -25.988 -4.326 1.00 0.00 C ATOM 1447 C GLY A 91 -7.497 -27.271 -3.516 1.00 0.00 C ATOM 1448 O GLY A 91 -6.569 -27.731 -2.841 1.00 0.00 O ATOM 0 H GLY A 91 -5.325 -25.493 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.077 -25.152 -3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.126 -25.747 -4.918 1.00 0.00 H new ATOM 1452 N PRO A 92 -8.708 -27.867 -3.566 1.00 0.00 N ATOM 1453 CA PRO A 92 -9.011 -29.127 -2.889 1.00 0.00 C ATOM 1454 C PRO A 92 -8.461 -30.362 -3.627 1.00 0.00 C ATOM 1455 O PRO A 92 -8.445 -31.449 -3.054 1.00 0.00 O ATOM 1456 CB PRO A 92 -10.540 -29.163 -2.806 1.00 0.00 C ATOM 1457 CG PRO A 92 -10.966 -28.452 -4.090 1.00 0.00 C ATOM 1458 CD PRO A 92 -9.896 -27.373 -4.256 1.00 0.00 C ATOM 0 HA PRO A 92 -8.533 -29.167 -1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.919 -30.184 -2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.909 -28.650 -1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.988 -29.133 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.963 -28.021 -4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.687 -27.192 -5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.228 -26.427 -3.830 1.00 0.00 H new ATOM 1466 N SER A 93 -7.994 -30.230 -4.876 1.00 0.00 N ATOM 1467 CA SER A 93 -7.558 -31.360 -5.719 1.00 0.00 C ATOM 1468 C SER A 93 -6.110 -31.824 -5.443 1.00 0.00 C ATOM 1469 O SER A 93 -5.579 -32.685 -6.147 1.00 0.00 O ATOM 1470 CB SER A 93 -7.743 -31.013 -7.208 1.00 0.00 C ATOM 1471 OG SER A 93 -9.086 -30.631 -7.498 1.00 0.00 O ATOM 0 H SER A 93 -7.906 -29.325 -5.338 1.00 0.00 H new ATOM 0 HA SER A 93 -8.195 -32.204 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.067 -30.202 -7.479 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.469 -31.873 -7.819 1.00 0.00 H new ATOM 0 HG SER A 93 -9.167 -30.416 -8.451 1.00 0.00 H new ATOM 1477 N SER A 94 -5.453 -31.276 -4.417 1.00 0.00 N ATOM 1478 CA SER A 94 -4.105 -31.672 -3.971 1.00 0.00 C ATOM 1479 C SER A 94 -4.066 -32.983 -3.154 1.00 0.00 C ATOM 1480 O SER A 94 -2.983 -33.531 -2.915 1.00 0.00 O ATOM 1481 CB SER A 94 -3.488 -30.522 -3.158 1.00 0.00 C ATOM 1482 OG SER A 94 -4.307 -30.173 -2.046 1.00 0.00 O ATOM 0 H SER A 94 -5.851 -30.523 -3.855 1.00 0.00 H new ATOM 0 HA SER A 94 -3.523 -31.872 -4.871 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.499 -30.814 -2.806 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.354 -29.652 -3.800 1.00 0.00 H new ATOM 0 HG SER A 94 -3.888 -29.441 -1.548 1.00 0.00 H new ATOM 1488 N GLY A 95 -5.229 -33.512 -2.740 1.00 0.00 N ATOM 1489 CA GLY A 95 -5.372 -34.764 -1.981 1.00 0.00 C ATOM 1490 C GLY A 95 -6.826 -35.105 -1.655 1.00 0.00 C ATOM 1491 O GLY A 95 -7.528 -35.629 -2.548 1.00 0.00 O ATOM 1492 OXT GLY A 95 -7.252 -34.853 -0.505 1.00 0.00 O ATOM 0 H GLY A 95 -6.125 -33.064 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.933 -35.581 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.806 -34.686 -1.052 1.00 0.00 H new TER 1496 GLY A 95