USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 hydrogens (2 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 49 THR OG1 : rot -37:sc= 1.25 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 LYS N :NH3+ -150:sc= 1.02 (180deg=0.453) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0187 USER MOD Single : A 10 THR OG1 : rot -55:sc= 1.29 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.143 K(o=0.14,f=-2.6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -11:sc= 1.31 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.45) USER MOD Single : A 40 TYR OH : rot 79:sc= 0.336 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 62 ASN : amide:sc= 0.11 K(o=0.11,f=-3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.823 30.395 31.062 1.00 0.00 N ATOM 2 CA LYS A 1 13.680 31.442 31.675 1.00 0.00 C ATOM 3 C LYS A 1 14.507 32.135 30.599 1.00 0.00 C ATOM 4 O LYS A 1 14.862 31.515 29.596 1.00 0.00 O ATOM 5 CB LYS A 1 14.560 30.850 32.798 1.00 0.00 C ATOM 6 CG LYS A 1 15.376 31.876 33.608 1.00 0.00 C ATOM 7 CD LYS A 1 16.035 31.206 34.827 1.00 0.00 C ATOM 8 CE LYS A 1 16.867 32.214 35.632 1.00 0.00 C ATOM 9 NZ LYS A 1 17.394 31.619 36.884 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.953 30.287 31.622 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.577 30.673 30.090 1.00 0.00 H new ATOM 0 H3 LYS A 1 13.338 29.492 31.044 1.00 0.00 H new ATOM 0 HA LYS A 1 13.044 32.195 32.141 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.920 30.297 33.485 1.00 0.00 H new ATOM 0 HB3 LYS A 1 15.249 30.131 32.355 1.00 0.00 H new ATOM 0 HG2 LYS A 1 16.142 32.322 32.973 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.726 32.686 33.939 1.00 0.00 H new ATOM 0 HD2 LYS A 1 15.266 30.772 35.466 1.00 0.00 H new ATOM 0 HD3 LYS A 1 16.673 30.387 34.495 1.00 0.00 H new ATOM 0 HE2 LYS A 1 17.697 32.570 35.021 1.00 0.00 H new ATOM 0 HE3 LYS A 1 16.253 33.082 35.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 17.950 32.331 37.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 16.601 31.302 37.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 18.000 30.806 36.654 1.00 0.00 H new ATOM 25 N GLU A 2 14.840 33.414 30.788 1.00 0.00 N ATOM 26 CA GLU A 2 15.727 34.184 29.894 1.00 0.00 C ATOM 27 C GLU A 2 16.958 34.716 30.634 1.00 0.00 C ATOM 28 O GLU A 2 16.837 35.151 31.782 1.00 0.00 O ATOM 29 CB GLU A 2 14.982 35.351 29.228 1.00 0.00 C ATOM 30 CG GLU A 2 13.668 34.945 28.543 1.00 0.00 C ATOM 31 CD GLU A 2 12.453 34.938 29.478 1.00 0.00 C ATOM 32 OE1 GLU A 2 12.328 35.792 30.383 1.00 0.00 O ATOM 33 OE2 GLU A 2 11.563 34.073 29.293 1.00 0.00 O1- ATOM 0 H GLU A 2 14.498 33.959 31.579 1.00 0.00 H new ATOM 0 HA GLU A 2 16.060 33.493 29.120 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.768 36.109 29.982 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.637 35.812 28.489 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.474 35.630 27.717 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.787 33.951 28.112 1.00 0.00 H new ATOM 40 N GLY A 3 18.130 34.707 29.992 1.00 0.00 N ATOM 41 CA GLY A 3 19.374 35.159 30.620 1.00 0.00 C ATOM 42 C GLY A 3 20.609 35.225 29.712 1.00 0.00 C ATOM 43 O GLY A 3 20.605 34.780 28.566 1.00 0.00 O ATOM 0 H GLY A 3 18.243 34.389 29.030 1.00 0.00 H new ATOM 0 HA2 GLY A 3 19.205 36.151 31.040 1.00 0.00 H new ATOM 0 HA3 GLY A 3 19.598 34.494 31.454 1.00 0.00 H new ATOM 47 N TYR A 4 21.676 35.796 30.266 1.00 0.00 N ATOM 48 CA TYR A 4 22.988 36.010 29.649 1.00 0.00 C ATOM 49 C TYR A 4 23.737 34.692 29.361 1.00 0.00 C ATOM 50 O TYR A 4 23.839 33.833 30.243 1.00 0.00 O ATOM 51 CB TYR A 4 23.753 36.891 30.644 1.00 0.00 C ATOM 52 CG TYR A 4 25.162 37.310 30.282 1.00 0.00 C ATOM 53 CD1 TYR A 4 26.257 36.546 30.726 1.00 0.00 C ATOM 54 CD2 TYR A 4 25.373 38.546 29.641 1.00 0.00 C ATOM 55 CE1 TYR A 4 27.563 37.053 30.596 1.00 0.00 C ATOM 56 CE2 TYR A 4 26.676 39.057 29.512 1.00 0.00 C ATOM 57 CZ TYR A 4 27.772 38.326 30.021 1.00 0.00 C ATOM 58 OH TYR A 4 29.024 38.858 30.007 1.00 0.00 O ATOM 0 H TYR A 4 21.647 36.146 31.224 1.00 0.00 H new ATOM 0 HA TYR A 4 22.889 36.481 28.671 1.00 0.00 H new ATOM 0 HB2 TYR A 4 23.167 37.795 30.809 1.00 0.00 H new ATOM 0 HB3 TYR A 4 23.796 36.361 31.596 1.00 0.00 H new ATOM 0 HD1 TYR A 4 26.095 35.573 31.166 1.00 0.00 H new ATOM 0 HD2 TYR A 4 24.534 39.101 29.249 1.00 0.00 H new ATOM 0 HE1 TYR A 4 28.405 36.469 30.936 1.00 0.00 H new ATOM 0 HE2 TYR A 4 26.839 40.007 29.025 1.00 0.00 H new ATOM 0 HH TYR A 4 29.001 39.738 29.576 1.00 0.00 H new ATOM 68 N LEU A 5 24.271 34.508 28.146 1.00 0.00 N ATOM 69 CA LEU A 5 24.969 33.274 27.758 1.00 0.00 C ATOM 70 C LEU A 5 26.405 33.242 28.313 1.00 0.00 C ATOM 71 O LEU A 5 27.237 34.087 27.972 1.00 0.00 O ATOM 72 CB LEU A 5 24.945 33.107 26.226 1.00 0.00 C ATOM 73 CG LEU A 5 25.006 31.625 25.792 1.00 0.00 C ATOM 74 CD1 LEU A 5 23.588 31.062 25.710 1.00 0.00 C ATOM 75 CD2 LEU A 5 25.623 31.496 24.398 1.00 0.00 C ATOM 0 H LEU A 5 24.232 35.208 27.406 1.00 0.00 H new ATOM 0 HA LEU A 5 24.442 32.427 28.198 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.038 33.562 25.828 1.00 0.00 H new ATOM 0 HB3 LEU A 5 25.788 33.645 25.792 1.00 0.00 H new ATOM 0 HG LEU A 5 25.608 31.085 26.522 1.00 0.00 H new ATOM 0 HD11 LEU A 5 23.629 30.017 25.404 1.00 0.00 H new ATOM 0 HD12 LEU A 5 23.110 31.136 26.687 1.00 0.00 H new ATOM 0 HD13 LEU A 5 23.012 31.631 24.980 1.00 0.00 H new ATOM 0 HD21 LEU A 5 25.657 30.445 24.111 1.00 0.00 H new ATOM 0 HD22 LEU A 5 25.018 32.049 23.680 1.00 0.00 H new ATOM 0 HD23 LEU A 5 26.635 31.902 24.409 1.00 0.00 H new ATOM 87 N VAL A 6 26.715 32.234 29.135 1.00 0.00 N ATOM 88 CA VAL A 6 28.025 32.072 29.797 1.00 0.00 C ATOM 89 C VAL A 6 28.531 30.628 29.701 1.00 0.00 C ATOM 90 O VAL A 6 27.741 29.682 29.675 1.00 0.00 O ATOM 91 CB VAL A 6 27.949 32.605 31.247 1.00 0.00 C ATOM 92 CG1 VAL A 6 27.205 31.673 32.211 1.00 0.00 C ATOM 93 CG2 VAL A 6 29.338 32.871 31.821 1.00 0.00 C ATOM 0 H VAL A 6 26.055 31.492 29.367 1.00 0.00 H new ATOM 0 HA VAL A 6 28.770 32.671 29.273 1.00 0.00 H new ATOM 0 HB VAL A 6 27.383 33.533 31.167 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.193 32.114 33.208 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.181 31.533 31.864 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.711 30.708 32.247 1.00 0.00 H new ATOM 0 HG21 VAL A 6 29.245 33.244 32.841 1.00 0.00 H new ATOM 0 HG22 VAL A 6 29.914 31.945 31.825 1.00 0.00 H new ATOM 0 HG23 VAL A 6 29.849 33.614 31.208 1.00 0.00 H new ATOM 103 N ASP A 7 29.849 30.452 29.627 1.00 0.00 N ATOM 104 CA ASP A 7 30.511 29.143 29.612 1.00 0.00 C ATOM 105 C ASP A 7 30.296 28.367 30.924 1.00 0.00 C ATOM 106 O ASP A 7 30.787 28.765 31.981 1.00 0.00 O ATOM 107 CB ASP A 7 32.018 29.337 29.366 1.00 0.00 C ATOM 108 CG ASP A 7 32.818 28.045 29.540 1.00 0.00 C ATOM 109 OD1 ASP A 7 33.945 28.107 30.085 1.00 0.00 O ATOM 110 OD2 ASP A 7 32.325 26.969 29.129 1.00 0.00 O1- ATOM 0 H ASP A 7 30.504 31.232 29.574 1.00 0.00 H new ATOM 0 HA ASP A 7 30.067 28.555 28.809 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.170 29.720 28.357 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.400 30.091 30.054 1.00 0.00 H new ATOM 115 N TYR A 8 29.636 27.213 30.820 1.00 0.00 N ATOM 116 CA TYR A 8 29.356 26.284 31.918 1.00 0.00 C ATOM 117 C TYR A 8 30.618 25.773 32.647 1.00 0.00 C ATOM 118 O TYR A 8 30.515 25.357 33.804 1.00 0.00 O ATOM 119 CB TYR A 8 28.597 25.076 31.338 1.00 0.00 C ATOM 120 CG TYR A 8 29.470 24.135 30.516 1.00 0.00 C ATOM 121 CD1 TYR A 8 30.002 22.970 31.103 1.00 0.00 C ATOM 122 CD2 TYR A 8 29.807 24.455 29.185 1.00 0.00 C ATOM 123 CE1 TYR A 8 30.868 22.134 30.368 1.00 0.00 C ATOM 124 CE2 TYR A 8 30.660 23.620 28.442 1.00 0.00 C ATOM 125 CZ TYR A 8 31.195 22.457 29.035 1.00 0.00 C ATOM 126 OH TYR A 8 32.041 21.660 28.333 1.00 0.00 O ATOM 0 H TYR A 8 29.265 26.885 29.928 1.00 0.00 H new ATOM 0 HA TYR A 8 28.772 26.829 32.659 1.00 0.00 H new ATOM 0 HB2 TYR A 8 28.146 24.515 32.157 1.00 0.00 H new ATOM 0 HB3 TYR A 8 27.781 25.438 30.713 1.00 0.00 H new ATOM 0 HD1 TYR A 8 29.745 22.716 32.121 1.00 0.00 H new ATOM 0 HD2 TYR A 8 29.406 25.350 28.732 1.00 0.00 H new ATOM 0 HE1 TYR A 8 31.280 21.247 30.826 1.00 0.00 H new ATOM 0 HE2 TYR A 8 30.905 23.868 27.420 1.00 0.00 H new ATOM 0 HH TYR A 8 32.160 22.024 27.431 1.00 0.00 H new ATOM 136 N HIS A 9 31.775 25.755 31.965 1.00 0.00 N ATOM 137 CA HIS A 9 33.013 25.129 32.447 1.00 0.00 C ATOM 138 C HIS A 9 33.881 26.074 33.287 1.00 0.00 C ATOM 139 O HIS A 9 34.408 25.655 34.320 1.00 0.00 O ATOM 140 CB HIS A 9 33.784 24.573 31.238 1.00 0.00 C ATOM 141 CG HIS A 9 34.693 23.405 31.541 1.00 0.00 C ATOM 142 ND1 HIS A 9 35.824 23.411 32.367 1.00 0.00 N ATOM 143 CD2 HIS A 9 34.585 22.172 30.968 1.00 0.00 C ATOM 144 CE1 HIS A 9 36.353 22.175 32.281 1.00 0.00 C ATOM 145 NE2 HIS A 9 35.637 21.417 31.433 1.00 0.00 N ATOM 0 H HIS A 9 31.876 26.184 31.045 1.00 0.00 H new ATOM 0 HA HIS A 9 32.745 24.317 33.123 1.00 0.00 H new ATOM 0 HB2 HIS A 9 33.065 24.267 30.478 1.00 0.00 H new ATOM 0 HB3 HIS A 9 34.381 25.376 30.807 1.00 0.00 H new ATOM 0 HD2 HIS A 9 33.818 21.849 30.279 1.00 0.00 H new ATOM 0 HE1 HIS A 9 37.229 21.841 32.818 1.00 0.00 H new ATOM 0 HE2 HIS A 9 35.838 20.450 31.178 1.00 0.00 H new ATOM 153 N THR A 10 34.022 27.346 32.879 1.00 0.00 N ATOM 154 CA THR A 10 34.953 28.328 33.487 1.00 0.00 C ATOM 155 C THR A 10 34.419 29.760 33.621 1.00 0.00 C ATOM 156 O THR A 10 35.101 30.625 34.171 1.00 0.00 O ATOM 157 CB THR A 10 36.283 28.376 32.721 1.00 0.00 C ATOM 158 OG1 THR A 10 36.126 28.884 31.410 1.00 0.00 O ATOM 159 CG2 THR A 10 36.957 27.016 32.613 1.00 0.00 C ATOM 0 H THR A 10 33.485 27.734 32.103 1.00 0.00 H new ATOM 0 HA THR A 10 35.088 27.954 34.502 1.00 0.00 H new ATOM 0 HB THR A 10 36.913 29.043 33.309 1.00 0.00 H new ATOM 0 HG1 THR A 10 35.444 28.363 30.937 1.00 0.00 H new ATOM 0 HG21 THR A 10 37.892 27.116 32.061 1.00 0.00 H new ATOM 0 HG22 THR A 10 37.165 26.632 33.612 1.00 0.00 H new ATOM 0 HG23 THR A 10 36.298 26.324 32.088 1.00 0.00 H new ATOM 167 N GLY A 11 33.198 30.032 33.157 1.00 0.00 N ATOM 168 CA GLY A 11 32.525 31.334 33.310 1.00 0.00 C ATOM 169 C GLY A 11 32.842 32.414 32.264 1.00 0.00 C ATOM 170 O GLY A 11 32.435 33.562 32.448 1.00 0.00 O ATOM 0 H GLY A 11 32.635 29.345 32.655 1.00 0.00 H new ATOM 0 HA2 GLY A 11 31.449 31.161 33.302 1.00 0.00 H new ATOM 0 HA3 GLY A 11 32.777 31.731 34.293 1.00 0.00 H new ATOM 174 N CYS A 12 33.532 32.085 31.165 1.00 0.00 N ATOM 175 CA CYS A 12 33.763 33.004 30.040 1.00 0.00 C ATOM 176 C CYS A 12 32.456 33.529 29.410 1.00 0.00 C ATOM 177 O CYS A 12 31.497 32.772 29.231 1.00 0.00 O ATOM 178 CB CYS A 12 34.579 32.298 28.948 1.00 0.00 C ATOM 179 SG CYS A 12 36.176 31.608 29.445 1.00 0.00 S ATOM 0 H CYS A 12 33.950 31.165 31.029 1.00 0.00 H new ATOM 0 HA CYS A 12 34.305 33.858 30.447 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.972 31.491 28.538 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.752 33.008 28.140 1.00 0.00 H new ATOM 184 N LYS A 13 32.429 34.811 29.020 1.00 0.00 N ATOM 185 CA LYS A 13 31.272 35.448 28.353 1.00 0.00 C ATOM 186 C LYS A 13 31.207 35.173 26.842 1.00 0.00 C ATOM 187 O LYS A 13 32.238 34.938 26.208 1.00 0.00 O ATOM 188 CB LYS A 13 31.256 36.954 28.674 1.00 0.00 C ATOM 189 CG LYS A 13 32.329 37.790 27.947 1.00 0.00 C ATOM 190 CD LYS A 13 33.071 38.798 28.837 1.00 0.00 C ATOM 191 CE LYS A 13 32.165 39.819 29.527 1.00 0.00 C ATOM 192 NZ LYS A 13 32.956 40.892 30.170 1.00 0.00 N1+ ATOM 0 H LYS A 13 33.215 35.446 29.158 1.00 0.00 H new ATOM 0 HA LYS A 13 30.368 34.991 28.754 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.274 37.353 28.421 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.385 37.082 29.749 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.058 37.113 27.503 1.00 0.00 H new ATOM 0 HG3 LYS A 13 31.855 38.330 27.127 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.627 38.251 29.598 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.802 39.331 28.229 1.00 0.00 H new ATOM 0 HE2 LYS A 13 31.483 40.255 28.797 1.00 0.00 H new ATOM 0 HE3 LYS A 13 31.552 39.317 30.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 32.314 41.569 30.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 33.589 40.477 30.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 33.522 41.385 29.450 1.00 0.00 H new ATOM 206 N TYR A 14 30.016 35.275 26.249 1.00 0.00 N ATOM 207 CA TYR A 14 29.807 35.207 24.794 1.00 0.00 C ATOM 208 C TYR A 14 29.445 36.583 24.204 1.00 0.00 C ATOM 209 O TYR A 14 28.294 37.019 24.272 1.00 0.00 O ATOM 210 CB TYR A 14 28.751 34.139 24.481 1.00 0.00 C ATOM 211 CG TYR A 14 29.292 32.722 24.545 1.00 0.00 C ATOM 212 CD1 TYR A 14 29.866 32.158 23.389 1.00 0.00 C ATOM 213 CD2 TYR A 14 29.243 31.975 25.741 1.00 0.00 C ATOM 214 CE1 TYR A 14 30.379 30.849 23.424 1.00 0.00 C ATOM 215 CE2 TYR A 14 29.750 30.658 25.776 1.00 0.00 C ATOM 216 CZ TYR A 14 30.313 30.091 24.611 1.00 0.00 C ATOM 217 OH TYR A 14 30.826 28.831 24.613 1.00 0.00 O ATOM 0 H TYR A 14 29.151 35.410 26.773 1.00 0.00 H new ATOM 0 HA TYR A 14 30.741 34.916 24.314 1.00 0.00 H new ATOM 0 HB2 TYR A 14 27.925 34.237 25.186 1.00 0.00 H new ATOM 0 HB3 TYR A 14 28.345 34.321 23.486 1.00 0.00 H new ATOM 0 HD1 TYR A 14 29.912 32.731 22.475 1.00 0.00 H new ATOM 0 HD2 TYR A 14 28.817 32.412 26.632 1.00 0.00 H new ATOM 0 HE1 TYR A 14 30.825 30.423 22.538 1.00 0.00 H new ATOM 0 HE2 TYR A 14 29.708 30.086 26.691 1.00 0.00 H new ATOM 0 HH TYR A 14 30.710 28.432 25.500 1.00 0.00 H new ATOM 227 N THR A 15 30.432 37.266 23.614 1.00 0.00 N ATOM 228 CA THR A 15 30.254 38.579 22.959 1.00 0.00 C ATOM 229 C THR A 15 29.537 38.483 21.602 1.00 0.00 C ATOM 230 O THR A 15 29.445 37.405 21.006 1.00 0.00 O ATOM 231 CB THR A 15 31.577 39.345 22.792 1.00 0.00 C ATOM 232 OG1 THR A 15 32.425 38.709 21.861 1.00 0.00 O ATOM 233 CG2 THR A 15 32.332 39.529 24.107 1.00 0.00 C ATOM 0 H THR A 15 31.392 36.923 23.574 1.00 0.00 H new ATOM 0 HA THR A 15 29.615 39.141 23.640 1.00 0.00 H new ATOM 0 HB THR A 15 31.297 40.332 22.423 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.257 39.219 21.775 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.256 40.076 23.922 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.712 40.089 24.807 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.567 38.553 24.531 1.00 0.00 H new ATOM 241 N CYS A 16 29.023 39.613 21.113 1.00 0.00 N ATOM 242 CA CYS A 16 28.232 39.749 19.889 1.00 0.00 C ATOM 243 C CYS A 16 28.299 41.187 19.328 1.00 0.00 C ATOM 244 O CYS A 16 28.671 42.114 20.047 1.00 0.00 O ATOM 245 CB CYS A 16 26.788 39.357 20.237 1.00 0.00 C ATOM 246 SG CYS A 16 25.585 39.474 18.889 1.00 0.00 S ATOM 0 H CYS A 16 29.155 40.507 21.587 1.00 0.00 H new ATOM 0 HA CYS A 16 28.629 39.099 19.109 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.790 38.332 20.607 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.448 39.991 21.056 1.00 0.00 H new ATOM 251 N ALA A 17 27.916 41.381 18.065 1.00 0.00 N ATOM 252 CA ALA A 17 27.749 42.675 17.395 1.00 0.00 C ATOM 253 C ALA A 17 26.689 43.603 18.038 1.00 0.00 C ATOM 254 O ALA A 17 26.011 43.258 19.013 1.00 0.00 O ATOM 255 CB ALA A 17 27.375 42.364 15.937 1.00 0.00 C ATOM 0 H ALA A 17 27.702 40.598 17.447 1.00 0.00 H new ATOM 0 HA ALA A 17 28.682 43.231 17.483 1.00 0.00 H new ATOM 0 HB1 ALA A 17 27.238 43.297 15.390 1.00 0.00 H new ATOM 0 HB2 ALA A 17 28.173 41.784 15.472 1.00 0.00 H new ATOM 0 HB3 ALA A 17 26.449 41.790 15.913 1.00 0.00 H new ATOM 261 N LYS A 18 26.530 44.797 17.448 1.00 0.00 N ATOM 262 CA LYS A 18 25.448 45.757 17.728 1.00 0.00 C ATOM 263 C LYS A 18 24.056 45.110 17.583 1.00 0.00 C ATOM 264 O LYS A 18 23.905 44.104 16.887 1.00 0.00 O ATOM 265 CB LYS A 18 25.632 46.970 16.793 1.00 0.00 C ATOM 266 CG LYS A 18 24.816 48.207 17.197 1.00 0.00 C ATOM 267 CD LYS A 18 25.165 49.407 16.304 1.00 0.00 C ATOM 268 CE LYS A 18 24.298 50.603 16.701 1.00 0.00 C ATOM 269 NZ LYS A 18 24.587 51.793 15.876 1.00 0.00 N1+ ATOM 0 H LYS A 18 27.176 45.135 16.735 1.00 0.00 H new ATOM 0 HA LYS A 18 25.505 46.089 18.765 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.688 47.238 16.768 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.353 46.679 15.780 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.751 47.987 17.119 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.014 48.454 18.240 1.00 0.00 H new ATOM 0 HD2 LYS A 18 26.221 49.658 16.409 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.000 49.155 15.256 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.246 50.338 16.599 1.00 0.00 H new ATOM 0 HE3 LYS A 18 24.467 50.840 17.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.978 52.581 16.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.585 52.062 15.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 24.402 51.575 14.876 1.00 0.00 H new ATOM 283 N LEU A 19 23.057 45.697 18.244 1.00 0.00 N ATOM 284 CA LEU A 19 21.683 45.189 18.407 1.00 0.00 C ATOM 285 C LEU A 19 20.990 44.750 17.095 1.00 0.00 C ATOM 286 O LEU A 19 21.347 45.181 15.998 1.00 0.00 O ATOM 287 CB LEU A 19 20.826 46.279 19.093 1.00 0.00 C ATOM 288 CG LEU A 19 21.347 46.824 20.438 1.00 0.00 C ATOM 289 CD1 LEU A 19 20.447 47.962 20.918 1.00 0.00 C ATOM 290 CD2 LEU A 19 21.378 45.755 21.530 1.00 0.00 C ATOM 0 H LEU A 19 23.188 46.595 18.710 1.00 0.00 H new ATOM 0 HA LEU A 19 21.765 44.287 19.014 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.724 47.117 18.403 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.826 45.875 19.254 1.00 0.00 H new ATOM 0 HG LEU A 19 22.366 47.170 20.262 1.00 0.00 H new ATOM 0 HD11 LEU A 19 20.819 48.344 21.869 1.00 0.00 H new ATOM 0 HD12 LEU A 19 20.449 48.764 20.179 1.00 0.00 H new ATOM 0 HD13 LEU A 19 19.430 47.591 21.049 1.00 0.00 H new ATOM 0 HD21 LEU A 19 21.753 46.191 22.456 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.371 45.371 21.691 1.00 0.00 H new ATOM 0 HD23 LEU A 19 22.033 44.940 21.222 1.00 0.00 H new ATOM 302 N GLY A 20 19.942 43.933 17.211 1.00 0.00 N ATOM 303 CA GLY A 20 19.070 43.477 16.118 1.00 0.00 C ATOM 304 C GLY A 20 19.623 42.336 15.249 1.00 0.00 C ATOM 305 O GLY A 20 18.866 41.435 14.884 1.00 0.00 O ATOM 0 H GLY A 20 19.661 43.550 18.114 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.121 43.154 16.547 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.855 44.328 15.472 1.00 0.00 H new ATOM 309 N ASP A 21 20.928 42.341 14.960 1.00 0.00 N ATOM 310 CA ASP A 21 21.671 41.289 14.241 1.00 0.00 C ATOM 311 C ASP A 21 21.869 40.026 15.117 1.00 0.00 C ATOM 312 O ASP A 21 22.961 39.778 15.634 1.00 0.00 O ATOM 313 CB ASP A 21 23.013 41.884 13.757 1.00 0.00 C ATOM 314 CG ASP A 21 23.894 40.891 12.985 1.00 0.00 C ATOM 315 OD1 ASP A 21 25.138 40.962 13.084 1.00 0.00 O ATOM 316 OD2 ASP A 21 23.344 40.011 12.270 1.00 0.00 O1- ATOM 0 H ASP A 21 21.530 43.117 15.233 1.00 0.00 H new ATOM 0 HA ASP A 21 21.096 40.958 13.376 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.808 42.744 13.120 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.568 42.252 14.620 1.00 0.00 H new ATOM 321 N ASN A 22 20.801 39.260 15.350 1.00 0.00 N ATOM 322 CA ASN A 22 20.738 38.168 16.328 1.00 0.00 C ATOM 323 C ASN A 22 21.132 36.751 15.840 1.00 0.00 C ATOM 324 O ASN A 22 21.330 35.871 16.676 1.00 0.00 O ATOM 325 CB ASN A 22 19.300 38.123 16.877 1.00 0.00 C ATOM 326 CG ASN A 22 18.288 37.611 15.874 1.00 0.00 C ATOM 327 OD1 ASN A 22 18.146 38.113 14.768 1.00 0.00 O ATOM 328 ND2 ASN A 22 17.578 36.571 16.226 1.00 0.00 N ATOM 0 H ASN A 22 19.924 39.387 14.845 1.00 0.00 H new ATOM 0 HA ASN A 22 21.497 38.406 17.073 1.00 0.00 H new ATOM 0 HB2 ASN A 22 19.277 37.487 17.762 1.00 0.00 H new ATOM 0 HB3 ASN A 22 19.010 39.124 17.196 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.900 36.173 15.576 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.702 36.158 17.150 1.00 0.00 H new ATOM 335 N ASP A 23 21.215 36.484 14.533 1.00 0.00 N ATOM 336 CA ASP A 23 21.302 35.099 14.017 1.00 0.00 C ATOM 337 C ASP A 23 22.577 34.311 14.391 1.00 0.00 C ATOM 338 O ASP A 23 22.530 33.078 14.458 1.00 0.00 O ATOM 339 CB ASP A 23 21.060 35.067 12.499 1.00 0.00 C ATOM 340 CG ASP A 23 22.312 35.363 11.673 1.00 0.00 C ATOM 341 OD1 ASP A 23 22.962 34.423 11.174 1.00 0.00 O ATOM 342 OD2 ASP A 23 22.669 36.560 11.554 1.00 0.00 O1- ATOM 0 H ASP A 23 21.224 37.202 13.808 1.00 0.00 H new ATOM 0 HA ASP A 23 20.504 34.569 14.537 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.676 34.086 12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.288 35.795 12.247 1.00 0.00 H new ATOM 347 N TYR A 24 23.696 34.990 14.676 1.00 0.00 N ATOM 348 CA TYR A 24 24.896 34.359 15.241 1.00 0.00 C ATOM 349 C TYR A 24 24.652 33.911 16.693 1.00 0.00 C ATOM 350 O TYR A 24 24.973 32.776 17.053 1.00 0.00 O ATOM 351 CB TYR A 24 26.093 35.322 15.122 1.00 0.00 C ATOM 352 CG TYR A 24 27.291 34.957 15.982 1.00 0.00 C ATOM 353 CD1 TYR A 24 28.284 34.096 15.483 1.00 0.00 C ATOM 354 CD2 TYR A 24 27.397 35.461 17.295 1.00 0.00 C ATOM 355 CE1 TYR A 24 29.360 33.708 16.303 1.00 0.00 C ATOM 356 CE2 TYR A 24 28.468 35.066 18.122 1.00 0.00 C ATOM 357 CZ TYR A 24 29.445 34.172 17.634 1.00 0.00 C ATOM 358 OH TYR A 24 30.469 33.776 18.435 1.00 0.00 O ATOM 0 H TYR A 24 23.795 35.993 14.521 1.00 0.00 H new ATOM 0 HA TYR A 24 25.130 33.459 14.673 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.409 35.359 14.080 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.762 36.325 15.391 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.221 33.732 14.468 1.00 0.00 H new ATOM 0 HD2 TYR A 24 26.655 36.152 17.668 1.00 0.00 H new ATOM 0 HE1 TYR A 24 30.124 33.052 15.912 1.00 0.00 H new ATOM 0 HE2 TYR A 24 28.541 35.448 19.130 1.00 0.00 H new ATOM 0 HH TYR A 24 30.373 34.191 19.318 1.00 0.00 H new ATOM 368 N CYS A 25 24.039 34.767 17.518 1.00 0.00 N ATOM 369 CA CYS A 25 23.678 34.454 18.902 1.00 0.00 C ATOM 370 C CYS A 25 22.563 33.404 19.007 1.00 0.00 C ATOM 371 O CYS A 25 22.628 32.570 19.904 1.00 0.00 O ATOM 372 CB CYS A 25 23.316 35.753 19.623 1.00 0.00 C ATOM 373 SG CYS A 25 22.509 35.608 21.246 1.00 0.00 S ATOM 0 H CYS A 25 23.776 35.712 17.237 1.00 0.00 H new ATOM 0 HA CYS A 25 24.540 33.998 19.389 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.229 36.334 19.751 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.660 36.330 18.970 1.00 0.00 H new ATOM 378 N VAL A 26 21.598 33.350 18.077 1.00 0.00 N ATOM 379 CA VAL A 26 20.614 32.247 18.013 1.00 0.00 C ATOM 380 C VAL A 26 21.323 30.897 17.885 1.00 0.00 C ATOM 381 O VAL A 26 21.033 29.973 18.648 1.00 0.00 O ATOM 382 CB VAL A 26 19.612 32.440 16.856 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.702 31.221 16.643 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.706 33.638 17.135 1.00 0.00 C ATOM 0 H VAL A 26 21.474 34.058 17.354 1.00 0.00 H new ATOM 0 HA VAL A 26 20.049 32.261 18.945 1.00 0.00 H new ATOM 0 HB VAL A 26 20.216 32.592 15.961 1.00 0.00 H new ATOM 0 HG11 VAL A 26 18.019 31.417 15.816 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.312 30.348 16.411 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.128 31.032 17.550 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.004 33.763 16.311 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.154 33.469 18.060 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.313 34.538 17.234 1.00 0.00 H new ATOM 394 N ARG A 27 22.304 30.804 16.978 1.00 0.00 N ATOM 395 CA ARG A 27 23.133 29.608 16.790 1.00 0.00 C ATOM 396 C ARG A 27 23.980 29.294 18.023 1.00 0.00 C ATOM 397 O ARG A 27 23.951 28.159 18.485 1.00 0.00 O ATOM 398 CB ARG A 27 23.966 29.770 15.511 1.00 0.00 C ATOM 399 CG ARG A 27 23.078 29.560 14.279 1.00 0.00 C ATOM 400 CD ARG A 27 23.807 29.926 12.987 1.00 0.00 C ATOM 401 NE ARG A 27 22.936 29.757 11.812 1.00 0.00 N ATOM 402 CZ ARG A 27 22.003 30.582 11.379 1.00 0.00 C ATOM 403 NH1 ARG A 27 21.695 31.694 11.973 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 21.333 30.302 10.308 1.00 0.00 N ATOM 0 H ARG A 27 22.547 31.567 16.347 1.00 0.00 H new ATOM 0 HA ARG A 27 22.487 28.739 16.667 1.00 0.00 H new ATOM 0 HB2 ARG A 27 24.414 30.763 15.482 1.00 0.00 H new ATOM 0 HB3 ARG A 27 24.785 29.051 15.507 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.759 28.519 14.234 1.00 0.00 H new ATOM 0 HG3 ARG A 27 22.177 30.166 14.372 1.00 0.00 H new ATOM 0 HD2 ARG A 27 24.151 30.959 13.041 1.00 0.00 H new ATOM 0 HD3 ARG A 27 24.693 29.301 12.878 1.00 0.00 H new ATOM 0 HE ARG A 27 23.070 28.903 11.270 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.185 31.971 12.824 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.963 32.291 11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.526 29.441 9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.612 30.942 9.976 1.00 0.00 H new ATOM 418 N GLU A 28 24.650 30.277 18.630 1.00 0.00 N ATOM 419 CA GLU A 28 25.391 30.035 19.880 1.00 0.00 C ATOM 420 C GLU A 28 24.485 29.589 21.037 1.00 0.00 C ATOM 421 O GLU A 28 24.853 28.658 21.749 1.00 0.00 O ATOM 422 CB GLU A 28 26.194 31.269 20.329 1.00 0.00 C ATOM 423 CG GLU A 28 27.346 31.698 19.410 1.00 0.00 C ATOM 424 CD GLU A 28 28.279 30.559 18.981 1.00 0.00 C ATOM 425 OE1 GLU A 28 28.493 29.588 19.746 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.823 30.625 17.852 1.00 0.00 O1- ATOM 0 H GLU A 28 24.698 31.236 18.286 1.00 0.00 H new ATOM 0 HA GLU A 28 26.078 29.223 19.644 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.505 32.108 20.430 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.602 31.070 21.320 1.00 0.00 H new ATOM 0 HG2 GLU A 28 26.927 32.163 18.517 1.00 0.00 H new ATOM 0 HG3 GLU A 28 27.935 32.460 19.920 1.00 0.00 H new ATOM 433 N CYS A 29 23.307 30.194 21.204 1.00 0.00 N ATOM 434 CA CYS A 29 22.317 29.881 22.238 1.00 0.00 C ATOM 435 C CYS A 29 21.795 28.445 22.094 1.00 0.00 C ATOM 436 O CYS A 29 21.825 27.689 23.065 1.00 0.00 O ATOM 437 CB CYS A 29 21.209 30.944 22.136 1.00 0.00 C ATOM 438 SG CYS A 29 19.608 30.660 22.942 1.00 0.00 S ATOM 0 H CYS A 29 23.003 30.952 20.593 1.00 0.00 H new ATOM 0 HA CYS A 29 22.759 29.917 23.234 1.00 0.00 H new ATOM 0 HB2 CYS A 29 21.613 31.874 22.535 1.00 0.00 H new ATOM 0 HB3 CYS A 29 21.014 31.110 21.076 1.00 0.00 H new ATOM 443 N ARG A 30 21.406 28.041 20.876 1.00 0.00 N ATOM 444 CA ARG A 30 20.889 26.692 20.579 1.00 0.00 C ATOM 445 C ARG A 30 21.965 25.607 20.414 1.00 0.00 C ATOM 446 O ARG A 30 21.617 24.447 20.198 1.00 0.00 O ATOM 447 CB ARG A 30 19.914 26.779 19.393 1.00 0.00 C ATOM 448 CG ARG A 30 20.593 26.657 18.021 1.00 0.00 C ATOM 449 CD ARG A 30 19.650 27.008 16.870 1.00 0.00 C ATOM 450 NE ARG A 30 18.521 26.060 16.741 1.00 0.00 N ATOM 451 CZ ARG A 30 17.945 25.668 15.620 1.00 0.00 C ATOM 452 NH1 ARG A 30 18.300 26.124 14.457 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 16.974 24.804 15.622 1.00 0.00 N ATOM 0 H ARG A 30 21.441 28.648 20.057 1.00 0.00 H new ATOM 0 HA ARG A 30 20.347 26.347 21.460 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.168 25.990 19.490 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.382 27.729 19.441 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.462 27.315 17.989 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.959 25.639 17.889 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.258 28.014 17.022 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.213 27.023 15.937 1.00 0.00 H new ATOM 0 HE ARG A 30 18.150 25.670 17.607 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.050 26.812 14.386 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.829 25.795 13.615 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.641 24.413 16.503 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.545 24.517 14.742 1.00 0.00 H new ATOM 467 N LEU A 31 23.252 25.963 20.486 1.00 0.00 N ATOM 468 CA LEU A 31 24.383 25.022 20.574 1.00 0.00 C ATOM 469 C LEU A 31 24.965 24.927 21.999 1.00 0.00 C ATOM 470 O LEU A 31 25.441 23.856 22.389 1.00 0.00 O ATOM 471 CB LEU A 31 25.468 25.417 19.551 1.00 0.00 C ATOM 472 CG LEU A 31 25.074 25.164 18.081 1.00 0.00 C ATOM 473 CD1 LEU A 31 26.088 25.824 17.144 1.00 0.00 C ATOM 474 CD2 LEU A 31 25.040 23.670 17.743 1.00 0.00 C ATOM 0 H LEU A 31 23.548 26.939 20.485 1.00 0.00 H new ATOM 0 HA LEU A 31 24.009 24.027 20.334 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.701 26.474 19.676 1.00 0.00 H new ATOM 0 HB3 LEU A 31 26.379 24.861 19.772 1.00 0.00 H new ATOM 0 HG LEU A 31 24.078 25.586 17.948 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.801 25.639 16.109 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.109 26.898 17.329 1.00 0.00 H new ATOM 0 HD13 LEU A 31 27.078 25.405 17.326 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.758 23.540 16.698 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.026 23.237 17.909 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.311 23.169 18.381 1.00 0.00 H new ATOM 486 N ARG A 32 24.905 26.014 22.783 1.00 0.00 N ATOM 487 CA ARG A 32 25.251 26.077 24.212 1.00 0.00 C ATOM 488 C ARG A 32 24.194 25.347 25.040 1.00 0.00 C ATOM 489 O ARG A 32 24.530 24.438 25.790 1.00 0.00 O ATOM 490 CB ARG A 32 25.418 27.564 24.583 1.00 0.00 C ATOM 491 CG ARG A 32 25.931 27.946 25.976 1.00 0.00 C ATOM 492 CD ARG A 32 27.265 27.303 26.353 1.00 0.00 C ATOM 493 NE ARG A 32 26.990 26.013 26.971 1.00 0.00 N ATOM 494 CZ ARG A 32 27.498 24.820 26.719 1.00 0.00 C ATOM 495 NH1 ARG A 32 28.372 24.589 25.785 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 27.105 23.804 27.419 1.00 0.00 N ATOM 0 H ARG A 32 24.599 26.917 22.421 1.00 0.00 H new ATOM 0 HA ARG A 32 26.190 25.567 24.428 1.00 0.00 H new ATOM 0 HB2 ARG A 32 26.096 28.008 23.853 1.00 0.00 H new ATOM 0 HB3 ARG A 32 24.448 28.044 24.450 1.00 0.00 H new ATOM 0 HG2 ARG A 32 26.036 29.030 26.027 1.00 0.00 H new ATOM 0 HG3 ARG A 32 25.183 27.663 26.716 1.00 0.00 H new ATOM 0 HD2 ARG A 32 27.889 27.175 25.468 1.00 0.00 H new ATOM 0 HD3 ARG A 32 27.815 27.945 27.041 1.00 0.00 H new ATOM 0 HE ARG A 32 26.295 26.034 27.717 1.00 0.00 H new ATOM 0 HH11 ARG A 32 28.704 25.353 25.197 1.00 0.00 H new ATOM 0 HH12 ARG A 32 28.726 23.643 25.641 1.00 0.00 H new ATOM 0 HH21 ARG A 32 26.411 23.930 28.155 1.00 0.00 H new ATOM 0 HH22 ARG A 32 27.490 22.878 27.234 1.00 0.00 H new ATOM 510 N TYR A 33 22.923 25.674 24.832 1.00 0.00 N ATOM 511 CA TYR A 33 21.771 24.916 25.331 1.00 0.00 C ATOM 512 C TYR A 33 21.152 24.106 24.169 1.00 0.00 C ATOM 513 O TYR A 33 21.743 23.999 23.092 1.00 0.00 O ATOM 514 CB TYR A 33 20.805 25.878 26.046 1.00 0.00 C ATOM 515 CG TYR A 33 21.437 26.598 27.230 1.00 0.00 C ATOM 516 CD1 TYR A 33 21.526 25.951 28.480 1.00 0.00 C ATOM 517 CD2 TYR A 33 21.949 27.903 27.083 1.00 0.00 C ATOM 518 CE1 TYR A 33 22.116 26.610 29.577 1.00 0.00 C ATOM 519 CE2 TYR A 33 22.528 28.567 28.186 1.00 0.00 C ATOM 520 CZ TYR A 33 22.611 27.920 29.436 1.00 0.00 C ATOM 521 OH TYR A 33 23.167 28.552 30.507 1.00 0.00 O ATOM 0 H TYR A 33 22.653 26.498 24.296 1.00 0.00 H new ATOM 0 HA TYR A 33 22.060 24.179 26.080 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.444 26.617 25.331 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.936 25.318 26.392 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.141 24.949 28.597 1.00 0.00 H new ATOM 0 HD2 TYR A 33 21.898 28.396 26.124 1.00 0.00 H new ATOM 0 HE1 TYR A 33 22.189 26.108 30.530 1.00 0.00 H new ATOM 0 HE2 TYR A 33 22.908 29.572 28.072 1.00 0.00 H new ATOM 0 HH TYR A 33 23.460 29.449 30.242 1.00 0.00 H new ATOM 531 N TYR A 34 19.998 23.472 24.385 1.00 0.00 N ATOM 532 CA TYR A 34 19.305 22.628 23.393 1.00 0.00 C ATOM 533 C TYR A 34 18.831 23.388 22.141 1.00 0.00 C ATOM 534 O TYR A 34 18.542 24.583 22.179 1.00 0.00 O ATOM 535 CB TYR A 34 18.117 21.909 24.057 1.00 0.00 C ATOM 536 CG TYR A 34 17.461 22.695 25.175 1.00 0.00 C ATOM 537 CD1 TYR A 34 16.638 23.801 24.885 1.00 0.00 C ATOM 538 CD2 TYR A 34 17.757 22.372 26.512 1.00 0.00 C ATOM 539 CE1 TYR A 34 16.101 24.574 25.930 1.00 0.00 C ATOM 540 CE2 TYR A 34 17.230 23.149 27.556 1.00 0.00 C ATOM 541 CZ TYR A 34 16.400 24.247 27.269 1.00 0.00 C ATOM 542 OH TYR A 34 15.910 24.990 28.288 1.00 0.00 O ATOM 0 H TYR A 34 19.502 23.529 25.275 1.00 0.00 H new ATOM 0 HA TYR A 34 20.042 21.905 23.042 1.00 0.00 H new ATOM 0 HB2 TYR A 34 17.369 21.688 23.296 1.00 0.00 H new ATOM 0 HB3 TYR A 34 18.460 20.953 24.453 1.00 0.00 H new ATOM 0 HD1 TYR A 34 16.419 24.056 23.859 1.00 0.00 H new ATOM 0 HD2 TYR A 34 18.390 21.526 26.735 1.00 0.00 H new ATOM 0 HE1 TYR A 34 15.462 25.416 25.708 1.00 0.00 H new ATOM 0 HE2 TYR A 34 17.463 22.903 28.582 1.00 0.00 H new ATOM 0 HH TYR A 34 15.510 25.811 27.932 1.00 0.00 H new ATOM 552 N GLN A 35 18.659 22.654 21.039 1.00 0.00 N ATOM 553 CA GLN A 35 18.297 23.180 19.711 1.00 0.00 C ATOM 554 C GLN A 35 17.025 24.052 19.664 1.00 0.00 C ATOM 555 O GLN A 35 16.930 24.948 18.824 1.00 0.00 O ATOM 556 CB GLN A 35 18.147 21.989 18.758 1.00 0.00 C ATOM 557 CG GLN A 35 17.026 21.006 19.142 1.00 0.00 C ATOM 558 CD GLN A 35 16.879 19.845 18.168 1.00 0.00 C ATOM 559 OE1 GLN A 35 17.645 19.659 17.228 1.00 0.00 O ATOM 560 NE2 GLN A 35 15.894 19.007 18.378 1.00 0.00 N ATOM 0 H GLN A 35 18.771 21.640 21.042 1.00 0.00 H new ATOM 0 HA GLN A 35 19.100 23.855 19.415 1.00 0.00 H new ATOM 0 HB2 GLN A 35 17.956 22.365 17.753 1.00 0.00 H new ATOM 0 HB3 GLN A 35 19.092 21.447 18.721 1.00 0.00 H new ATOM 0 HG2 GLN A 35 17.225 20.611 20.138 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.081 21.547 19.196 1.00 0.00 H new ATOM 0 HE21 GLN A 35 15.254 19.157 19.158 1.00 0.00 H new ATOM 0 HE22 GLN A 35 15.767 18.205 17.761 1.00 0.00 H new ATOM 569 N SER A 36 16.063 23.816 20.562 1.00 0.00 N ATOM 570 CA SER A 36 14.797 24.556 20.645 1.00 0.00 C ATOM 571 C SER A 36 14.889 25.882 21.422 1.00 0.00 C ATOM 572 O SER A 36 13.877 26.581 21.559 1.00 0.00 O ATOM 573 CB SER A 36 13.713 23.642 21.227 1.00 0.00 C ATOM 574 OG SER A 36 13.605 22.472 20.433 1.00 0.00 O ATOM 0 H SER A 36 16.144 23.086 21.270 1.00 0.00 H new ATOM 0 HA SER A 36 14.534 24.849 19.629 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.960 23.376 22.255 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.757 24.165 21.254 1.00 0.00 H new ATOM 0 HG SER A 36 12.913 21.886 20.806 1.00 0.00 H new ATOM 580 N ALA A 37 16.079 26.232 21.930 1.00 0.00 N ATOM 581 CA ALA A 37 16.369 27.553 22.500 1.00 0.00 C ATOM 582 C ALA A 37 16.418 28.653 21.414 1.00 0.00 C ATOM 583 O ALA A 37 16.591 28.372 20.225 1.00 0.00 O ATOM 584 CB ALA A 37 17.683 27.485 23.289 1.00 0.00 C ATOM 0 H ALA A 37 16.877 25.597 21.956 1.00 0.00 H new ATOM 0 HA ALA A 37 15.559 27.826 23.176 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.903 28.464 23.715 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.588 26.754 24.092 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.493 27.189 22.622 1.00 0.00 H new ATOM 590 N HIS A 38 16.275 29.919 21.816 1.00 0.00 N ATOM 591 CA HIS A 38 16.291 31.087 20.914 1.00 0.00 C ATOM 592 C HIS A 38 16.846 32.339 21.608 1.00 0.00 C ATOM 593 O HIS A 38 16.805 32.407 22.835 1.00 0.00 O ATOM 594 CB HIS A 38 14.873 31.320 20.373 1.00 0.00 C ATOM 595 CG HIS A 38 14.824 32.470 19.408 1.00 0.00 C ATOM 596 ND1 HIS A 38 15.525 32.531 18.203 1.00 0.00 N ATOM 597 CD2 HIS A 38 14.161 33.644 19.601 1.00 0.00 C ATOM 598 CE1 HIS A 38 15.239 33.733 17.678 1.00 0.00 C ATOM 599 NE2 HIS A 38 14.434 34.422 18.502 1.00 0.00 N ATOM 0 H HIS A 38 16.142 30.172 22.795 1.00 0.00 H new ATOM 0 HA HIS A 38 16.963 30.881 20.081 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.520 30.415 19.878 1.00 0.00 H new ATOM 0 HB3 HIS A 38 14.195 31.514 21.204 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.545 33.910 20.447 1.00 0.00 H new ATOM 0 HE1 HIS A 38 15.605 34.094 16.728 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.083 35.366 18.339 1.00 0.00 H new ATOM 607 N GLY A 39 17.359 33.335 20.875 1.00 0.00 N ATOM 608 CA GLY A 39 18.070 34.466 21.489 1.00 0.00 C ATOM 609 C GLY A 39 18.243 35.736 20.645 1.00 0.00 C ATOM 610 O GLY A 39 17.769 35.838 19.509 1.00 0.00 O ATOM 0 H GLY A 39 17.296 33.382 19.858 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.542 34.739 22.403 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.061 34.120 21.784 1.00 0.00 H new ATOM 614 N TYR A 40 18.926 36.708 21.251 1.00 0.00 N ATOM 615 CA TYR A 40 19.323 38.006 20.686 1.00 0.00 C ATOM 616 C TYR A 40 20.496 38.614 21.469 1.00 0.00 C ATOM 617 O TYR A 40 20.887 38.100 22.510 1.00 0.00 O ATOM 618 CB TYR A 40 18.123 38.968 20.641 1.00 0.00 C ATOM 619 CG TYR A 40 17.538 39.336 21.996 1.00 0.00 C ATOM 620 CD1 TYR A 40 16.417 38.649 22.509 1.00 0.00 C ATOM 621 CD2 TYR A 40 18.121 40.374 22.747 1.00 0.00 C ATOM 622 CE1 TYR A 40 15.893 38.994 23.771 1.00 0.00 C ATOM 623 CE2 TYR A 40 17.611 40.712 24.012 1.00 0.00 C ATOM 624 CZ TYR A 40 16.493 40.025 24.526 1.00 0.00 C ATOM 625 OH TYR A 40 16.002 40.361 25.745 1.00 0.00 O ATOM 0 H TYR A 40 19.240 36.606 22.216 1.00 0.00 H new ATOM 0 HA TYR A 40 19.662 37.842 19.663 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.430 39.883 20.135 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.338 38.516 20.035 1.00 0.00 H new ATOM 0 HD1 TYR A 40 15.960 37.858 21.934 1.00 0.00 H new ATOM 0 HD2 TYR A 40 18.967 40.915 22.348 1.00 0.00 H new ATOM 0 HE1 TYR A 40 15.033 38.470 24.160 1.00 0.00 H new ATOM 0 HE2 TYR A 40 18.075 41.497 24.590 1.00 0.00 H new ATOM 0 HH TYR A 40 16.310 39.713 26.412 1.00 0.00 H new ATOM 635 N CYS A 41 21.083 39.702 20.976 1.00 0.00 N ATOM 636 CA CYS A 41 22.215 40.376 21.626 1.00 0.00 C ATOM 637 C CYS A 41 21.821 41.681 22.328 1.00 0.00 C ATOM 638 O CYS A 41 20.920 42.401 21.892 1.00 0.00 O ATOM 639 CB CYS A 41 23.344 40.587 20.621 1.00 0.00 C ATOM 640 SG CYS A 41 23.847 39.042 19.825 1.00 0.00 S ATOM 0 H CYS A 41 20.787 40.148 20.107 1.00 0.00 H new ATOM 0 HA CYS A 41 22.571 39.720 22.421 1.00 0.00 H new ATOM 0 HB2 CYS A 41 23.023 41.298 19.860 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.202 41.029 21.128 1.00 0.00 H new ATOM 645 N TYR A 42 22.509 41.985 23.428 1.00 0.00 N ATOM 646 CA TYR A 42 22.283 43.165 24.260 1.00 0.00 C ATOM 647 C TYR A 42 23.621 43.603 24.874 1.00 0.00 C ATOM 648 O TYR A 42 24.379 42.753 25.347 1.00 0.00 O ATOM 649 CB TYR A 42 21.220 42.810 25.316 1.00 0.00 C ATOM 650 CG TYR A 42 20.554 43.993 25.989 1.00 0.00 C ATOM 651 CD1 TYR A 42 19.489 44.651 25.343 1.00 0.00 C ATOM 652 CD2 TYR A 42 20.962 44.411 27.271 1.00 0.00 C ATOM 653 CE1 TYR A 42 18.829 45.721 25.979 1.00 0.00 C ATOM 654 CE2 TYR A 42 20.310 45.488 27.905 1.00 0.00 C ATOM 655 CZ TYR A 42 19.243 46.149 27.259 1.00 0.00 C ATOM 656 OH TYR A 42 18.622 47.199 27.852 1.00 0.00 O ATOM 0 H TYR A 42 23.265 41.396 23.776 1.00 0.00 H new ATOM 0 HA TYR A 42 21.907 44.009 23.681 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.450 42.202 24.842 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.686 42.192 26.083 1.00 0.00 H new ATOM 0 HD1 TYR A 42 19.178 44.335 24.358 1.00 0.00 H new ATOM 0 HD2 TYR A 42 21.776 43.905 27.769 1.00 0.00 H new ATOM 0 HE1 TYR A 42 18.005 46.215 25.486 1.00 0.00 H new ATOM 0 HE2 TYR A 42 20.627 45.808 28.887 1.00 0.00 H new ATOM 0 HH TYR A 42 19.026 47.365 28.729 1.00 0.00 H new ATOM 666 N ALA A 43 23.945 44.900 24.846 1.00 0.00 N ATOM 667 CA ALA A 43 25.219 45.458 25.324 1.00 0.00 C ATOM 668 C ALA A 43 26.472 44.708 24.802 1.00 0.00 C ATOM 669 O ALA A 43 27.431 44.487 25.547 1.00 0.00 O ATOM 670 CB ALA A 43 25.164 45.611 26.853 1.00 0.00 C ATOM 0 H ALA A 43 23.312 45.612 24.481 1.00 0.00 H new ATOM 0 HA ALA A 43 25.341 46.451 24.891 1.00 0.00 H new ATOM 0 HB1 ALA A 43 26.107 46.024 27.211 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.348 46.281 27.122 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.998 44.636 27.311 1.00 0.00 H new ATOM 676 N PHE A 44 26.451 44.285 23.531 1.00 0.00 N ATOM 677 CA PHE A 44 27.504 43.513 22.849 1.00 0.00 C ATOM 678 C PHE A 44 27.758 42.093 23.409 1.00 0.00 C ATOM 679 O PHE A 44 28.830 41.523 23.197 1.00 0.00 O ATOM 680 CB PHE A 44 28.771 44.365 22.645 1.00 0.00 C ATOM 681 CG PHE A 44 28.530 45.670 21.901 1.00 0.00 C ATOM 682 CD1 PHE A 44 28.461 45.675 20.495 1.00 0.00 C ATOM 683 CD2 PHE A 44 28.365 46.877 22.607 1.00 0.00 C ATOM 684 CE1 PHE A 44 28.235 46.877 19.799 1.00 0.00 C ATOM 685 CE2 PHE A 44 28.129 48.078 21.911 1.00 0.00 C ATOM 686 CZ PHE A 44 28.066 48.079 20.506 1.00 0.00 C ATOM 0 H PHE A 44 25.660 44.481 22.918 1.00 0.00 H new ATOM 0 HA PHE A 44 27.115 43.284 21.857 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.205 44.590 23.619 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.507 43.777 22.096 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.582 44.752 19.948 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.420 46.882 23.686 1.00 0.00 H new ATOM 0 HE1 PHE A 44 28.191 46.875 18.720 1.00 0.00 H new ATOM 0 HE2 PHE A 44 27.996 49.000 22.457 1.00 0.00 H new ATOM 0 HZ PHE A 44 27.888 49.001 19.972 1.00 0.00 H new ATOM 696 N ALA A 45 26.765 41.476 24.061 1.00 0.00 N ATOM 697 CA ALA A 45 26.806 40.075 24.504 1.00 0.00 C ATOM 698 C ALA A 45 25.477 39.329 24.280 1.00 0.00 C ATOM 699 O ALA A 45 24.399 39.928 24.250 1.00 0.00 O ATOM 700 CB ALA A 45 27.274 40.018 25.961 1.00 0.00 C ATOM 0 H ALA A 45 25.892 41.946 24.301 1.00 0.00 H new ATOM 0 HA ALA A 45 27.527 39.543 23.882 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.305 38.980 26.293 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.269 40.455 26.041 1.00 0.00 H new ATOM 0 HB3 ALA A 45 26.581 40.578 26.588 1.00 0.00 H new ATOM 706 N CYS A 46 25.557 38.010 24.092 1.00 0.00 N ATOM 707 CA CYS A 46 24.428 37.152 23.725 1.00 0.00 C ATOM 708 C CYS A 46 23.491 36.833 24.913 1.00 0.00 C ATOM 709 O CYS A 46 23.933 36.515 26.019 1.00 0.00 O ATOM 710 CB CYS A 46 24.996 35.895 23.047 1.00 0.00 C ATOM 711 SG CYS A 46 23.809 34.640 22.488 1.00 0.00 S ATOM 0 H CYS A 46 26.432 37.495 24.193 1.00 0.00 H new ATOM 0 HA CYS A 46 23.781 37.682 23.026 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.582 36.213 22.184 1.00 0.00 H new ATOM 0 HB3 CYS A 46 25.687 35.419 23.743 1.00 0.00 H new ATOM 716 N TRP A 47 22.185 36.896 24.658 1.00 0.00 N ATOM 717 CA TRP A 47 21.074 36.634 25.577 1.00 0.00 C ATOM 718 C TRP A 47 20.203 35.507 24.999 1.00 0.00 C ATOM 719 O TRP A 47 19.919 35.478 23.801 1.00 0.00 O ATOM 720 CB TRP A 47 20.290 37.939 25.765 1.00 0.00 C ATOM 721 CG TRP A 47 19.188 37.940 26.777 1.00 0.00 C ATOM 722 CD1 TRP A 47 17.880 37.731 26.504 1.00 0.00 C ATOM 723 CD2 TRP A 47 19.257 38.248 28.202 1.00 0.00 C ATOM 724 NE1 TRP A 47 17.127 37.933 27.645 1.00 0.00 N ATOM 725 CE2 TRP A 47 17.925 38.240 28.725 1.00 0.00 C ATOM 726 CE3 TRP A 47 20.299 38.598 29.094 1.00 0.00 C ATOM 727 CZ2 TRP A 47 17.645 38.552 30.060 1.00 0.00 C ATOM 728 CZ3 TRP A 47 20.024 38.905 30.442 1.00 0.00 C ATOM 729 CH2 TRP A 47 18.703 38.881 30.925 1.00 0.00 C ATOM 0 H TRP A 47 21.848 37.152 23.730 1.00 0.00 H new ATOM 0 HA TRP A 47 21.429 36.305 26.554 1.00 0.00 H new ATOM 0 HB2 TRP A 47 20.998 38.721 26.038 1.00 0.00 H new ATOM 0 HB3 TRP A 47 19.863 38.217 24.802 1.00 0.00 H new ATOM 0 HD1 TRP A 47 17.484 37.449 25.540 1.00 0.00 H new ATOM 0 HE1 TRP A 47 16.110 37.864 27.683 1.00 0.00 H new ATOM 0 HE3 TRP A 47 21.318 38.630 28.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 16.627 38.540 30.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.834 39.161 31.109 1.00 0.00 H new ATOM 0 HH2 TRP A 47 18.502 39.115 31.960 1.00 0.00 H new ATOM 740 N CYS A 48 19.792 34.559 25.838 1.00 0.00 N ATOM 741 CA CYS A 48 19.173 33.299 25.426 1.00 0.00 C ATOM 742 C CYS A 48 17.895 33.010 26.233 1.00 0.00 C ATOM 743 O CYS A 48 17.775 33.398 27.396 1.00 0.00 O ATOM 744 CB CYS A 48 20.269 32.229 25.522 1.00 0.00 C ATOM 745 SG CYS A 48 19.930 30.542 24.949 1.00 0.00 S ATOM 0 H CYS A 48 19.882 34.647 26.850 1.00 0.00 H new ATOM 0 HA CYS A 48 18.810 33.327 24.399 1.00 0.00 H new ATOM 0 HB2 CYS A 48 21.131 32.595 24.965 1.00 0.00 H new ATOM 0 HB3 CYS A 48 20.570 32.164 26.568 1.00 0.00 H new ATOM 750 N THR A 49 16.923 32.358 25.595 1.00 0.00 N ATOM 751 CA THR A 49 15.535 32.200 26.066 1.00 0.00 C ATOM 752 C THR A 49 15.026 30.760 25.941 1.00 0.00 C ATOM 753 O THR A 49 15.614 29.943 25.228 1.00 0.00 O ATOM 754 CB THR A 49 14.588 33.162 25.322 1.00 0.00 C ATOM 755 OG1 THR A 49 14.399 32.760 23.986 1.00 0.00 O ATOM 756 CG2 THR A 49 15.086 34.604 25.254 1.00 0.00 C ATOM 0 H THR A 49 17.082 31.903 24.696 1.00 0.00 H new ATOM 0 HA THR A 49 15.541 32.450 27.127 1.00 0.00 H new ATOM 0 HB THR A 49 13.668 33.122 25.905 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.239 32.402 23.630 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.362 35.214 24.714 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.209 34.995 26.264 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.044 34.634 24.735 1.00 0.00 H new ATOM 764 N HIS A 50 13.924 30.458 26.641 1.00 0.00 N ATOM 765 CA HIS A 50 13.381 29.104 26.864 1.00 0.00 C ATOM 766 C HIS A 50 14.335 28.210 27.671 1.00 0.00 C ATOM 767 O HIS A 50 14.308 26.983 27.551 1.00 0.00 O ATOM 768 CB HIS A 50 12.846 28.469 25.567 1.00 0.00 C ATOM 769 CG HIS A 50 12.003 29.411 24.742 1.00 0.00 C ATOM 770 ND1 HIS A 50 10.739 29.900 25.092 1.00 0.00 N ATOM 771 CD2 HIS A 50 12.397 30.001 23.578 1.00 0.00 C ATOM 772 CE1 HIS A 50 10.428 30.810 24.153 1.00 0.00 C ATOM 773 NE2 HIS A 50 11.391 30.867 23.221 1.00 0.00 N ATOM 0 H HIS A 50 13.359 31.180 27.088 1.00 0.00 H new ATOM 0 HA HIS A 50 12.505 29.209 27.504 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.687 28.125 24.966 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.254 27.589 25.819 1.00 0.00 H new ATOM 0 HD2 HIS A 50 13.318 29.823 23.042 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.530 31.410 24.149 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.379 31.454 22.387 1.00 0.00 H new ATOM 781 N LEU A 51 15.198 28.825 28.489 1.00 0.00 N ATOM 782 CA LEU A 51 16.144 28.154 29.382 1.00 0.00 C ATOM 783 C LEU A 51 15.423 27.491 30.560 1.00 0.00 C ATOM 784 O LEU A 51 14.535 28.094 31.163 1.00 0.00 O ATOM 785 CB LEU A 51 17.181 29.161 29.918 1.00 0.00 C ATOM 786 CG LEU A 51 18.027 29.879 28.852 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.945 30.900 29.526 1.00 0.00 C ATOM 788 CD2 LEU A 51 18.886 28.879 28.085 1.00 0.00 C ATOM 0 H LEU A 51 15.257 29.842 28.547 1.00 0.00 H new ATOM 0 HA LEU A 51 16.650 27.380 28.805 1.00 0.00 H new ATOM 0 HB2 LEU A 51 16.658 29.914 30.508 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.854 28.636 30.596 1.00 0.00 H new ATOM 0 HG LEU A 51 17.352 30.379 28.158 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.543 31.407 28.769 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.342 31.633 30.063 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.605 30.389 30.227 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.477 29.406 27.336 1.00 0.00 H new ATOM 0 HD22 LEU A 51 19.553 28.366 28.778 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.243 28.150 27.593 1.00 0.00 H new ATOM 800 N TYR A 52 15.853 26.285 30.921 1.00 0.00 N ATOM 801 CA TYR A 52 15.435 25.599 32.143 1.00 0.00 C ATOM 802 C TYR A 52 15.929 26.289 33.425 1.00 0.00 C ATOM 803 O TYR A 52 16.906 27.038 33.440 1.00 0.00 O ATOM 804 CB TYR A 52 15.854 24.114 32.099 1.00 0.00 C ATOM 805 CG TYR A 52 17.265 23.721 31.661 1.00 0.00 C ATOM 806 CD1 TYR A 52 17.468 22.401 31.212 1.00 0.00 C ATOM 807 CD2 TYR A 52 18.366 24.605 31.687 1.00 0.00 C ATOM 808 CE1 TYR A 52 18.734 21.970 30.773 1.00 0.00 C ATOM 809 CE2 TYR A 52 19.637 24.178 31.258 1.00 0.00 C ATOM 810 CZ TYR A 52 19.825 22.862 30.789 1.00 0.00 C ATOM 811 OH TYR A 52 21.045 22.472 30.333 1.00 0.00 O ATOM 0 H TYR A 52 16.515 25.746 30.362 1.00 0.00 H new ATOM 0 HA TYR A 52 14.347 25.654 32.180 1.00 0.00 H new ATOM 0 HB2 TYR A 52 15.702 23.706 33.098 1.00 0.00 H new ATOM 0 HB3 TYR A 52 15.156 23.602 31.436 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.639 21.709 31.205 1.00 0.00 H new ATOM 0 HD2 TYR A 52 18.232 25.617 32.039 1.00 0.00 H new ATOM 0 HE1 TYR A 52 18.869 20.957 30.424 1.00 0.00 H new ATOM 0 HE2 TYR A 52 20.472 24.862 31.288 1.00 0.00 H new ATOM 0 HH TYR A 52 21.679 23.215 30.418 1.00 0.00 H new ATOM 821 N GLU A 53 15.287 25.970 34.545 1.00 0.00 N ATOM 822 CA GLU A 53 15.666 26.442 35.880 1.00 0.00 C ATOM 823 C GLU A 53 17.078 25.996 36.317 1.00 0.00 C ATOM 824 O GLU A 53 17.668 26.619 37.203 1.00 0.00 O ATOM 825 CB GLU A 53 14.597 25.997 36.893 1.00 0.00 C ATOM 826 CG GLU A 53 14.453 24.476 37.140 1.00 0.00 C ATOM 827 CD GLU A 53 13.575 23.722 36.122 1.00 0.00 C ATOM 828 OE1 GLU A 53 13.338 22.505 36.324 1.00 0.00 O ATOM 829 OE2 GLU A 53 13.101 24.324 35.128 1.00 0.00 O1- ATOM 0 H GLU A 53 14.468 25.362 34.553 1.00 0.00 H new ATOM 0 HA GLU A 53 15.713 27.530 35.843 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.815 26.476 37.848 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.633 26.378 36.557 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.447 24.029 37.138 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.037 24.324 38.136 1.00 0.00 H new ATOM 836 N GLN A 54 17.644 24.962 35.679 1.00 0.00 N ATOM 837 CA GLN A 54 19.002 24.455 35.930 1.00 0.00 C ATOM 838 C GLN A 54 20.118 25.259 35.212 1.00 0.00 C ATOM 839 O GLN A 54 21.283 24.853 35.220 1.00 0.00 O ATOM 840 CB GLN A 54 19.074 22.957 35.567 1.00 0.00 C ATOM 841 CG GLN A 54 17.961 22.062 36.148 1.00 0.00 C ATOM 842 CD GLN A 54 17.947 21.900 37.672 1.00 0.00 C ATOM 843 OE1 GLN A 54 18.875 22.253 38.395 1.00 0.00 O ATOM 844 NE2 GLN A 54 16.884 21.335 38.203 1.00 0.00 N ATOM 0 H GLN A 54 17.156 24.439 34.952 1.00 0.00 H new ATOM 0 HA GLN A 54 19.195 24.587 36.995 1.00 0.00 H new ATOM 0 HB2 GLN A 54 19.055 22.866 34.481 1.00 0.00 H new ATOM 0 HB3 GLN A 54 20.036 22.569 35.902 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.998 22.469 35.838 1.00 0.00 H new ATOM 0 HG3 GLN A 54 18.048 21.072 35.699 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.111 21.040 37.606 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.833 21.192 39.212 1.00 0.00 H new ATOM 853 N ALA A 55 19.783 26.374 34.546 1.00 0.00 N ATOM 854 CA ALA A 55 20.746 27.273 33.903 1.00 0.00 C ATOM 855 C ALA A 55 21.599 28.079 34.911 1.00 0.00 C ATOM 856 O ALA A 55 21.346 28.080 36.121 1.00 0.00 O ATOM 857 CB ALA A 55 19.974 28.196 32.949 1.00 0.00 C ATOM 0 H ALA A 55 18.816 26.680 34.439 1.00 0.00 H new ATOM 0 HA ALA A 55 21.466 26.671 33.348 1.00 0.00 H new ATOM 0 HB1 ALA A 55 20.670 28.876 32.458 1.00 0.00 H new ATOM 0 HB2 ALA A 55 19.461 27.596 32.197 1.00 0.00 H new ATOM 0 HB3 ALA A 55 19.242 28.773 33.514 1.00 0.00 H new ATOM 863 N VAL A 56 22.600 28.797 34.388 1.00 0.00 N ATOM 864 CA VAL A 56 23.503 29.695 35.133 1.00 0.00 C ATOM 865 C VAL A 56 23.797 30.965 34.318 1.00 0.00 C ATOM 866 O VAL A 56 23.795 30.927 33.084 1.00 0.00 O ATOM 867 CB VAL A 56 24.775 28.935 35.574 1.00 0.00 C ATOM 868 CG1 VAL A 56 25.633 28.474 34.390 1.00 0.00 C ATOM 869 CG2 VAL A 56 25.653 29.761 36.520 1.00 0.00 C ATOM 0 H VAL A 56 22.816 28.770 33.391 1.00 0.00 H new ATOM 0 HA VAL A 56 23.013 30.029 36.047 1.00 0.00 H new ATOM 0 HB VAL A 56 24.403 28.058 36.103 1.00 0.00 H new ATOM 0 HG11 VAL A 56 26.512 27.947 34.761 1.00 0.00 H new ATOM 0 HG12 VAL A 56 25.050 27.806 33.756 1.00 0.00 H new ATOM 0 HG13 VAL A 56 25.948 29.341 33.810 1.00 0.00 H new ATOM 0 HG21 VAL A 56 26.533 29.181 36.799 1.00 0.00 H new ATOM 0 HG22 VAL A 56 25.966 30.677 36.019 1.00 0.00 H new ATOM 0 HG23 VAL A 56 25.085 30.013 37.416 1.00 0.00 H new ATOM 879 N VAL A 57 24.023 32.094 34.996 1.00 0.00 N ATOM 880 CA VAL A 57 24.258 33.430 34.407 1.00 0.00 C ATOM 881 C VAL A 57 25.365 34.176 35.168 1.00 0.00 C ATOM 882 O VAL A 57 25.602 33.880 36.343 1.00 0.00 O ATOM 883 CB VAL A 57 22.962 34.276 34.365 1.00 0.00 C ATOM 884 CG1 VAL A 57 21.939 33.713 33.373 1.00 0.00 C ATOM 885 CG2 VAL A 57 22.272 34.407 35.728 1.00 0.00 C ATOM 0 H VAL A 57 24.050 32.110 36.016 1.00 0.00 H new ATOM 0 HA VAL A 57 24.585 33.277 33.378 1.00 0.00 H new ATOM 0 HB VAL A 57 23.296 35.263 34.045 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.046 34.338 33.377 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.370 33.703 32.372 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.672 32.697 33.663 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.372 35.012 35.623 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.003 33.417 36.096 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.950 34.885 36.435 1.00 0.00 H new ATOM 895 N TRP A 58 26.029 35.138 34.507 1.00 0.00 N ATOM 896 CA TRP A 58 27.197 35.892 35.023 1.00 0.00 C ATOM 897 C TRP A 58 28.398 34.974 35.408 1.00 0.00 C ATOM 898 O TRP A 58 28.290 33.754 35.251 1.00 0.00 O ATOM 899 CB TRP A 58 26.715 36.864 36.122 1.00 0.00 C ATOM 900 CG TRP A 58 25.385 37.503 35.844 1.00 0.00 C ATOM 901 CD1 TRP A 58 24.254 37.280 36.549 1.00 0.00 C ATOM 902 CD2 TRP A 58 24.998 38.388 34.746 1.00 0.00 C ATOM 903 NE1 TRP A 58 23.189 37.914 35.944 1.00 0.00 N ATOM 904 CE2 TRP A 58 23.585 38.585 34.806 1.00 0.00 C ATOM 905 CE3 TRP A 58 25.685 39.016 33.684 1.00 0.00 C ATOM 906 CZ2 TRP A 58 22.889 39.324 33.842 1.00 0.00 C ATOM 907 CZ3 TRP A 58 24.998 39.798 32.733 1.00 0.00 C ATOM 908 CH2 TRP A 58 23.600 39.937 32.797 1.00 0.00 C ATOM 0 H TRP A 58 25.763 35.427 33.566 1.00 0.00 H new ATOM 0 HA TRP A 58 27.627 36.501 34.228 1.00 0.00 H new ATOM 0 HB2 TRP A 58 26.655 36.324 37.067 1.00 0.00 H new ATOM 0 HB3 TRP A 58 27.462 37.648 36.250 1.00 0.00 H new ATOM 0 HD1 TRP A 58 24.193 36.692 37.453 1.00 0.00 H new ATOM 0 HE1 TRP A 58 22.231 37.890 36.293 1.00 0.00 H new ATOM 0 HE3 TRP A 58 26.755 38.895 33.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 21.815 39.422 33.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 25.550 40.294 31.949 1.00 0.00 H new ATOM 0 HH2 TRP A 58 23.076 40.512 32.047 1.00 0.00 H new ATOM 919 N PRO A 59 29.571 35.486 35.848 1.00 0.00 N ATOM 920 CA PRO A 59 30.761 34.657 36.082 1.00 0.00 C ATOM 921 C PRO A 59 30.541 33.520 37.088 1.00 0.00 C ATOM 922 O PRO A 59 29.828 33.680 38.083 1.00 0.00 O ATOM 923 CB PRO A 59 31.856 35.610 36.573 1.00 0.00 C ATOM 924 CG PRO A 59 31.451 36.948 35.965 1.00 0.00 C ATOM 925 CD PRO A 59 29.926 36.889 36.012 1.00 0.00 C ATOM 0 HA PRO A 59 31.032 34.152 35.155 1.00 0.00 H new ATOM 0 HB2 PRO A 59 31.891 35.656 37.661 1.00 0.00 H new ATOM 0 HB3 PRO A 59 32.844 35.297 36.235 1.00 0.00 H new ATOM 0 HG2 PRO A 59 31.842 37.788 36.539 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.821 37.058 34.946 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.550 37.278 36.958 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.488 37.497 35.221 1.00 0.00 H new ATOM 933 N LEU A 60 31.173 32.368 36.847 1.00 0.00 N ATOM 934 CA LEU A 60 31.203 31.246 37.790 1.00 0.00 C ATOM 935 C LEU A 60 32.404 31.412 38.739 1.00 0.00 C ATOM 936 O LEU A 60 33.535 31.460 38.248 1.00 0.00 O ATOM 937 CB LEU A 60 31.288 29.899 37.039 1.00 0.00 C ATOM 938 CG LEU A 60 29.924 29.359 36.561 1.00 0.00 C ATOM 939 CD1 LEU A 60 29.379 30.072 35.323 1.00 0.00 C ATOM 940 CD2 LEU A 60 30.051 27.878 36.216 1.00 0.00 C ATOM 0 H LEU A 60 31.684 32.186 35.983 1.00 0.00 H new ATOM 0 HA LEU A 60 30.281 31.245 38.371 1.00 0.00 H new ATOM 0 HB2 LEU A 60 31.943 30.017 36.176 1.00 0.00 H new ATOM 0 HB3 LEU A 60 31.751 29.159 37.692 1.00 0.00 H new ATOM 0 HG LEU A 60 29.231 29.534 37.384 1.00 0.00 H new ATOM 0 HD11 LEU A 60 28.418 29.638 35.047 1.00 0.00 H new ATOM 0 HD12 LEU A 60 29.249 31.132 35.541 1.00 0.00 H new ATOM 0 HD13 LEU A 60 30.081 29.955 34.497 1.00 0.00 H new ATOM 0 HD21 LEU A 60 29.086 27.499 35.879 1.00 0.00 H new ATOM 0 HD22 LEU A 60 30.788 27.751 35.423 1.00 0.00 H new ATOM 0 HD23 LEU A 60 30.369 27.325 37.099 1.00 0.00 H new ATOM 952 N PRO A 61 32.214 31.459 40.072 1.00 0.00 N ATOM 953 CA PRO A 61 33.319 31.562 41.028 1.00 0.00 C ATOM 954 C PRO A 61 34.155 30.276 41.128 1.00 0.00 C ATOM 955 O PRO A 61 35.315 30.339 41.528 1.00 0.00 O ATOM 956 CB PRO A 61 32.669 31.949 42.360 1.00 0.00 C ATOM 957 CG PRO A 61 31.265 31.359 42.259 1.00 0.00 C ATOM 958 CD PRO A 61 30.936 31.476 40.772 1.00 0.00 C ATOM 0 HA PRO A 61 34.044 32.309 40.706 1.00 0.00 H new ATOM 0 HB2 PRO A 61 33.217 31.538 43.208 1.00 0.00 H new ATOM 0 HB3 PRO A 61 32.641 33.030 42.493 1.00 0.00 H new ATOM 0 HG2 PRO A 61 31.240 30.323 42.595 1.00 0.00 H new ATOM 0 HG3 PRO A 61 30.553 31.911 42.872 1.00 0.00 H new ATOM 0 HD2 PRO A 61 30.303 30.650 40.447 1.00 0.00 H new ATOM 0 HD3 PRO A 61 30.391 32.397 40.565 1.00 0.00 H new ATOM 966 N ASN A 62 33.614 29.123 40.715 1.00 0.00 N ATOM 967 CA ASN A 62 34.254 27.806 40.819 1.00 0.00 C ATOM 968 C ASN A 62 35.681 27.762 40.224 1.00 0.00 C ATOM 969 O ASN A 62 36.588 27.221 40.865 1.00 0.00 O ATOM 970 CB ASN A 62 33.387 26.756 40.090 1.00 0.00 C ATOM 971 CG ASN A 62 31.954 26.588 40.571 1.00 0.00 C ATOM 972 OD1 ASN A 62 31.204 27.544 40.750 1.00 0.00 O ATOM 973 ND2 ASN A 62 31.512 25.363 40.740 1.00 0.00 N ATOM 0 H ASN A 62 32.690 29.080 40.286 1.00 0.00 H new ATOM 0 HA ASN A 62 34.340 27.589 41.884 1.00 0.00 H new ATOM 0 HB2 ASN A 62 33.361 27.015 39.031 1.00 0.00 H new ATOM 0 HB3 ASN A 62 33.886 25.790 40.170 1.00 0.00 H new ATOM 0 HD21 ASN A 62 30.544 25.204 41.020 1.00 0.00 H new ATOM 0 HD22 ASN A 62 32.136 24.570 40.591 1.00 0.00 H new ATOM 980 N LYS A 63 35.859 28.313 39.012 1.00 0.00 N ATOM 981 CA LYS A 63 37.111 28.375 38.233 1.00 0.00 C ATOM 982 C LYS A 63 37.279 29.757 37.584 1.00 0.00 C ATOM 983 O LYS A 63 36.364 30.582 37.645 1.00 0.00 O ATOM 984 CB LYS A 63 37.130 27.248 37.183 1.00 0.00 C ATOM 985 CG LYS A 63 37.247 25.884 37.879 1.00 0.00 C ATOM 986 CD LYS A 63 37.345 24.727 36.890 1.00 0.00 C ATOM 987 CE LYS A 63 37.342 23.416 37.687 1.00 0.00 C ATOM 988 NZ LYS A 63 37.149 22.227 36.824 1.00 0.00 N1+ ATOM 0 H LYS A 63 35.085 28.756 38.517 1.00 0.00 H new ATOM 0 HA LYS A 63 37.957 28.228 38.904 1.00 0.00 H new ATOM 0 HB2 LYS A 63 36.220 27.283 36.584 1.00 0.00 H new ATOM 0 HB3 LYS A 63 37.967 27.390 36.500 1.00 0.00 H new ATOM 0 HG2 LYS A 63 38.127 25.883 38.522 1.00 0.00 H new ATOM 0 HG3 LYS A 63 36.381 25.734 38.524 1.00 0.00 H new ATOM 0 HD2 LYS A 63 36.507 24.750 36.193 1.00 0.00 H new ATOM 0 HD3 LYS A 63 38.256 24.810 36.297 1.00 0.00 H new ATOM 0 HE2 LYS A 63 38.284 23.320 38.226 1.00 0.00 H new ATOM 0 HE3 LYS A 63 36.549 23.451 38.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 37.155 21.368 37.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 36.238 22.302 36.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 37.919 22.175 36.127 1.00 0.00 H new ATOM 1002 N ARG A 64 38.440 30.031 36.977 1.00 0.00 N ATOM 1003 CA ARG A 64 38.710 31.256 36.193 1.00 0.00 C ATOM 1004 C ARG A 64 38.598 31.012 34.688 1.00 0.00 C ATOM 1005 O ARG A 64 39.018 29.964 34.199 1.00 0.00 O ATOM 1006 CB ARG A 64 40.107 31.804 36.538 1.00 0.00 C ATOM 1007 CG ARG A 64 40.326 32.235 38.002 1.00 0.00 C ATOM 1008 CD ARG A 64 39.450 33.404 38.476 1.00 0.00 C ATOM 1009 NE ARG A 64 38.078 32.961 38.763 1.00 0.00 N ATOM 1010 CZ ARG A 64 36.976 33.673 38.838 1.00 0.00 C ATOM 1011 NH1 ARG A 64 36.939 34.964 38.736 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 35.847 33.073 39.021 1.00 0.00 N ATOM 0 H ARG A 64 39.239 29.398 37.014 1.00 0.00 H new ATOM 0 HA ARG A 64 37.952 31.992 36.461 1.00 0.00 H new ATOM 0 HB2 ARG A 64 40.845 31.041 36.291 1.00 0.00 H new ATOM 0 HB3 ARG A 64 40.307 32.661 35.895 1.00 0.00 H new ATOM 0 HG2 ARG A 64 40.141 31.377 38.648 1.00 0.00 H new ATOM 0 HG3 ARG A 64 41.373 32.511 38.130 1.00 0.00 H new ATOM 0 HD2 ARG A 64 39.886 33.848 39.371 1.00 0.00 H new ATOM 0 HD3 ARG A 64 39.431 34.181 37.711 1.00 0.00 H new ATOM 0 HE ARG A 64 37.966 31.961 38.927 1.00 0.00 H new ATOM 0 HH11 ARG A 64 37.801 35.489 38.588 1.00 0.00 H new ATOM 0 HH12 ARG A 64 36.048 35.456 38.804 1.00 0.00 H new ATOM 0 HH21 ARG A 64 35.817 32.057 39.106 1.00 0.00 H new ATOM 0 HH22 ARG A 64 34.985 33.615 39.081 1.00 0.00 H new ATOM 1026 N CYS A 65 38.093 31.998 33.949 1.00 0.00 N ATOM 1027 CA CYS A 65 38.137 31.999 32.483 1.00 0.00 C ATOM 1028 C CYS A 65 39.565 32.320 32.004 1.00 0.00 C ATOM 1029 O CYS A 65 40.137 33.323 32.440 1.00 0.00 O ATOM 1030 CB CYS A 65 37.129 33.023 31.943 1.00 0.00 C ATOM 1031 SG CYS A 65 37.195 33.217 30.144 1.00 0.00 S ATOM 0 H CYS A 65 37.641 32.821 34.348 1.00 0.00 H new ATOM 0 HA CYS A 65 37.866 31.014 32.104 1.00 0.00 H new ATOM 0 HB2 CYS A 65 36.123 32.718 32.232 1.00 0.00 H new ATOM 0 HB3 CYS A 65 37.317 33.989 32.412 1.00 0.00 H new ATOM 1036 N LYS A 66 40.144 31.506 31.112 1.00 0.00 N ATOM 1037 CA LYS A 66 41.533 31.684 30.643 1.00 0.00 C ATOM 1038 C LYS A 66 41.713 32.970 29.831 1.00 0.00 C ATOM 1039 O LYS A 66 40.924 33.280 28.937 1.00 0.00 O ATOM 1040 CB LYS A 66 42.006 30.466 29.832 1.00 0.00 C ATOM 1041 CG LYS A 66 42.119 29.197 30.688 1.00 0.00 C ATOM 1042 CD LYS A 66 42.721 28.047 29.873 1.00 0.00 C ATOM 1043 CE LYS A 66 42.654 26.738 30.664 1.00 0.00 C ATOM 1044 NZ LYS A 66 43.234 25.624 29.882 1.00 0.00 N1+ ATOM 0 H LYS A 66 39.668 30.707 30.694 1.00 0.00 H new ATOM 0 HA LYS A 66 42.154 31.772 31.535 1.00 0.00 H new ATOM 0 HB2 LYS A 66 41.310 30.287 29.013 1.00 0.00 H new ATOM 0 HB3 LYS A 66 42.975 30.686 29.384 1.00 0.00 H new ATOM 0 HG2 LYS A 66 42.741 29.395 31.561 1.00 0.00 H new ATOM 0 HG3 LYS A 66 41.134 28.912 31.056 1.00 0.00 H new ATOM 0 HD2 LYS A 66 42.181 27.938 28.932 1.00 0.00 H new ATOM 0 HD3 LYS A 66 43.757 28.275 29.622 1.00 0.00 H new ATOM 0 HE2 LYS A 66 43.193 26.848 31.605 1.00 0.00 H new ATOM 0 HE3 LYS A 66 41.618 26.512 30.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 43.179 24.745 30.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 42.702 25.508 28.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 44.229 25.834 29.664 1.00 0.00 H new HETATM 1058 N NH2 A 67 42.779 33.706 30.080 1.00 0.00 N TER 1061 NH2 A 67