USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 763 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 56 LYS NZ :NH3+ -166:sc= -0.0121 (180deg=-0.265) USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.37 X(o=-0.38,f=-0.6) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= -0.0468 (180deg=-0.447) USER MOD Single : A 34 ASN : amide:sc= -0.04 K(o=-0.04,f=-2!) USER MOD Single : A 36 ASN : amide:sc= -0.0922 K(o=-0.092,f=-1.5!) USER MOD Single : A 41 MET CE :methyl 178:sc= 0 (180deg=-0.00472) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 155:sc= -0.0825 (180deg=-0.748) USER MOD Single : A 53 SER OG : rot 130:sc= -3! USER MOD Single : A 54 TYR OH : rot -92:sc= -0.721 USER MOD Single : A 55 SER OG : rot 160:sc= -1.28 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 58 GLN : amide:sc= -2.17! C(o=-2.2!,f=-4.4!) USER MOD Single : A 60 SER OG : rot -10:sc= 0.347 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 67:sc= -2.88! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.763 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.94) USER MOD Single : A 86 LYS NZ :NH3+ 161:sc= -0.0727 (180deg=-0.462) USER MOD Single : A 87 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.42) USER MOD Single : A 88 HIS : no HD1:sc= -2.54 K(o=-2.5,f=-7.7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.23) USER MOD Single : A 98 GLN : amide:sc= -1.05 X(o=-1,f=-0.7) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -105:sc= 0.564 (180deg=-1.76!) USER MOD Single : A 103 ASN : amide:sc= -0.765 K(o=-0.77,f=-0.066) USER MOD Single : A 106 SER OG : rot 180:sc= -0.071 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -5.25! C(o=-5.2!,f=-11!) USER MOD Single : A 118 GLN : amide:sc=-0.00123 K(o=-0.0012,f=-1.4!) USER MOD Single : A 122 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.78) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -1.32 K(o=-1.3,f=0) USER MOD Single : A 126 ASN : amide:sc= -0.0393 K(o=-0.039,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 31 3.796 26.781 -17.400 1.00 0.00 N ATOM 2 CA MET A 31 3.574 28.236 -17.167 1.00 0.00 C ATOM 3 C MET A 31 2.733 28.427 -15.910 1.00 0.00 C ATOM 4 O MET A 31 1.685 29.070 -15.947 1.00 0.00 O ATOM 5 CB MET A 31 2.854 28.840 -18.374 1.00 0.00 C ATOM 6 CG MET A 31 3.762 28.763 -19.603 1.00 0.00 C ATOM 7 SD MET A 31 3.820 27.057 -20.205 1.00 0.00 S ATOM 8 CE MET A 31 2.378 27.150 -21.294 1.00 0.00 C ATOM 0 HA MET A 31 4.533 28.737 -17.034 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.924 28.303 -18.562 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.588 29.877 -18.170 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.389 29.424 -20.386 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.765 29.105 -19.349 1.00 0.00 H new ATOM 0 HE1 MET A 31 2.225 26.186 -21.779 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.495 27.405 -20.708 1.00 0.00 H new ATOM 0 HE3 MET A 31 2.544 27.915 -22.052 1.00 0.00 H new ATOM 18 N GLY A 32 3.202 27.869 -14.800 1.00 0.00 N ATOM 19 CA GLY A 32 2.489 27.986 -13.533 1.00 0.00 C ATOM 20 C GLY A 32 1.401 26.924 -13.417 1.00 0.00 C ATOM 21 O GLY A 32 0.546 26.994 -12.533 1.00 0.00 O ATOM 0 H GLY A 32 4.069 27.333 -14.751 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.191 27.884 -12.706 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.044 28.978 -13.453 1.00 0.00 H new ATOM 25 N LYS A 33 1.437 25.940 -14.312 1.00 0.00 N ATOM 26 CA LYS A 33 0.450 24.860 -14.303 1.00 0.00 C ATOM 27 C LYS A 33 1.135 23.508 -14.456 1.00 0.00 C ATOM 28 O LYS A 33 1.821 23.256 -15.447 1.00 0.00 O ATOM 29 CB LYS A 33 -0.551 25.062 -15.443 1.00 0.00 C ATOM 30 CG LYS A 33 -1.624 23.971 -15.381 1.00 0.00 C ATOM 31 CD LYS A 33 -2.671 24.222 -16.465 1.00 0.00 C ATOM 32 CE LYS A 33 -3.736 23.125 -16.406 1.00 0.00 C ATOM 33 NZ LYS A 33 -4.489 23.232 -15.125 1.00 0.00 N1+ ATOM 0 H LYS A 33 2.136 25.867 -15.051 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.077 24.879 -13.349 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.013 26.046 -15.365 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.037 25.027 -16.403 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.169 22.990 -15.521 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.096 23.966 -14.399 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.132 25.199 -16.322 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.198 24.233 -17.447 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.419 23.220 -17.250 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.267 22.144 -16.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.400 22.739 -15.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.935 22.798 -14.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.658 24.234 -14.904 1.00 0.00 H new ATOM 47 N ASN A 34 0.942 22.642 -13.467 1.00 0.00 N ATOM 48 CA ASN A 34 1.541 21.313 -13.496 1.00 0.00 C ATOM 49 C ASN A 34 3.050 21.411 -13.692 1.00 0.00 C ATOM 50 O ASN A 34 3.665 20.530 -14.293 1.00 0.00 O ATOM 51 CB ASN A 34 0.926 20.492 -14.633 1.00 0.00 C ATOM 52 CG ASN A 34 -0.512 20.117 -14.286 1.00 0.00 C ATOM 53 OD1 ASN A 34 -0.887 20.111 -13.115 1.00 0.00 O ATOM 54 ND2 ASN A 34 -1.343 19.805 -15.243 1.00 0.00 N ATOM 0 H ASN A 34 0.378 22.835 -12.639 1.00 0.00 H new ATOM 0 HA ASN A 34 1.343 20.821 -12.544 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.948 21.065 -15.560 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.515 19.591 -14.802 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.307 19.555 -15.020 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.029 19.811 -16.213 1.00 0.00 H new ATOM 61 N ASP A 35 3.640 22.487 -13.183 1.00 0.00 N ATOM 62 CA ASP A 35 5.080 22.685 -13.310 1.00 0.00 C ATOM 63 C ASP A 35 5.841 21.640 -12.502 1.00 0.00 C ATOM 64 O ASP A 35 6.770 21.011 -13.004 1.00 0.00 O ATOM 65 CB ASP A 35 5.456 24.084 -12.816 1.00 0.00 C ATOM 66 CG ASP A 35 4.960 25.136 -13.804 1.00 0.00 C ATOM 67 OD1 ASP A 35 4.704 24.779 -14.941 1.00 0.00 O ATOM 68 OD2 ASP A 35 4.833 26.282 -13.404 1.00 0.00 O1- ATOM 0 H ASP A 35 3.150 23.229 -12.683 1.00 0.00 H new ATOM 0 HA ASP A 35 5.351 22.581 -14.361 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.019 24.261 -11.833 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.537 24.160 -12.703 1.00 0.00 H new ATOM 73 N ASN A 36 5.438 21.461 -11.251 1.00 0.00 N ATOM 74 CA ASN A 36 6.084 20.488 -10.375 1.00 0.00 C ATOM 75 C ASN A 36 5.866 19.072 -10.898 1.00 0.00 C ATOM 76 O ASN A 36 6.749 18.221 -10.804 1.00 0.00 O ATOM 77 CB ASN A 36 5.529 20.608 -8.953 1.00 0.00 C ATOM 78 CG ASN A 36 6.084 21.861 -8.282 1.00 0.00 C ATOM 79 OD1 ASN A 36 7.222 22.253 -8.541 1.00 0.00 O ATOM 80 ND2 ASN A 36 5.341 22.518 -7.434 1.00 0.00 N ATOM 0 H ASN A 36 4.669 21.974 -10.819 1.00 0.00 H new ATOM 0 HA ASN A 36 7.154 20.695 -10.359 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.440 20.652 -8.981 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.798 19.725 -8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.703 23.359 -6.984 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.399 22.191 -7.221 1.00 0.00 H new ATOM 87 N ASP A 37 4.678 18.826 -11.440 1.00 0.00 N ATOM 88 CA ASP A 37 4.346 17.506 -11.963 1.00 0.00 C ATOM 89 C ASP A 37 5.152 17.208 -13.222 1.00 0.00 C ATOM 90 O ASP A 37 4.911 16.213 -13.907 1.00 0.00 O ATOM 91 CB ASP A 37 2.851 17.434 -12.283 1.00 0.00 C ATOM 92 CG ASP A 37 2.036 17.500 -10.996 1.00 0.00 C ATOM 93 OD1 ASP A 37 2.632 17.419 -9.936 1.00 0.00 O ATOM 94 OD2 ASP A 37 0.828 17.635 -11.091 1.00 0.00 O1- ATOM 0 H ASP A 37 3.934 19.518 -11.528 1.00 0.00 H new ATOM 0 HA ASP A 37 4.593 16.763 -11.205 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.572 18.256 -12.942 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.629 16.509 -12.816 1.00 0.00 H new ATOM 99 N ALA A 38 6.110 18.076 -13.515 1.00 0.00 N ATOM 100 CA ALA A 38 6.957 17.903 -14.690 1.00 0.00 C ATOM 101 C ALA A 38 7.928 16.750 -14.476 1.00 0.00 C ATOM 102 O ALA A 38 8.271 16.423 -13.341 1.00 0.00 O ATOM 103 CB ALA A 38 7.744 19.181 -14.975 1.00 0.00 C ATOM 0 H ALA A 38 6.321 18.905 -12.959 1.00 0.00 H new ATOM 0 HA ALA A 38 6.315 17.681 -15.542 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.370 19.034 -15.855 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.051 20.002 -15.156 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.373 19.420 -14.117 1.00 0.00 H new ATOM 109 N LEU A 39 8.375 16.137 -15.575 1.00 0.00 N ATOM 110 CA LEU A 39 9.316 15.019 -15.499 1.00 0.00 C ATOM 111 C LEU A 39 10.608 15.363 -16.219 1.00 0.00 C ATOM 112 O LEU A 39 10.596 15.771 -17.381 1.00 0.00 O ATOM 113 CB LEU A 39 8.694 13.775 -16.132 1.00 0.00 C ATOM 114 CG LEU A 39 7.506 13.301 -15.276 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.649 12.330 -16.090 1.00 0.00 C ATOM 116 CD2 LEU A 39 8.007 12.595 -14.004 1.00 0.00 C ATOM 0 H LEU A 39 8.102 16.395 -16.523 1.00 0.00 H new ATOM 0 HA LEU A 39 9.538 14.822 -14.450 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.359 13.998 -17.145 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.439 12.983 -16.210 1.00 0.00 H new ATOM 0 HG LEU A 39 6.913 14.169 -14.987 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.807 11.993 -15.485 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.277 12.833 -16.982 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.252 11.471 -16.383 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.154 12.266 -13.410 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.611 11.731 -14.281 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.612 13.287 -13.418 1.00 0.00 H new ATOM 128 N ILE A 40 11.729 15.199 -15.517 1.00 0.00 N ATOM 129 CA ILE A 40 13.041 15.503 -16.096 1.00 0.00 C ATOM 130 C ILE A 40 13.732 14.225 -16.547 1.00 0.00 C ATOM 131 O ILE A 40 13.810 13.247 -15.803 1.00 0.00 O ATOM 132 CB ILE A 40 13.913 16.221 -15.068 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.127 17.388 -14.465 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.175 16.753 -15.748 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.580 18.300 -15.572 1.00 0.00 C ATOM 0 H ILE A 40 11.758 14.861 -14.555 1.00 0.00 H new ATOM 0 HA ILE A 40 12.895 16.150 -16.961 1.00 0.00 H new ATOM 0 HB ILE A 40 14.195 15.524 -14.279 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.304 17.006 -13.861 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.771 17.962 -13.799 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.796 17.265 -15.013 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.734 15.922 -16.179 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.896 17.451 -16.537 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.024 19.124 -15.124 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.408 18.698 -16.158 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.918 17.727 -16.222 1.00 0.00 H new ATOM 147 N MET A 41 14.232 14.244 -17.776 1.00 0.00 N ATOM 148 CA MET A 41 14.917 13.081 -18.332 1.00 0.00 C ATOM 149 C MET A 41 16.361 13.028 -17.842 1.00 0.00 C ATOM 150 O MET A 41 17.085 14.020 -17.919 1.00 0.00 O ATOM 151 CB MET A 41 14.902 13.140 -19.863 1.00 0.00 C ATOM 152 CG MET A 41 15.545 11.873 -20.429 1.00 0.00 C ATOM 153 SD MET A 41 15.437 11.897 -22.235 1.00 0.00 S ATOM 154 CE MET A 41 15.330 10.108 -22.484 1.00 0.00 C ATOM 0 H MET A 41 14.178 15.046 -18.404 1.00 0.00 H new ATOM 0 HA MET A 41 14.394 12.185 -17.999 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.878 13.233 -20.224 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.443 14.021 -20.209 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.588 11.811 -20.117 1.00 0.00 H new ATOM 0 HG3 MET A 41 15.042 10.990 -20.036 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.219 9.895 -23.547 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.238 9.634 -22.112 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.468 9.716 -21.943 1.00 0.00 H new ATOM 164 N CYS A 42 16.775 11.866 -17.337 1.00 0.00 N ATOM 165 CA CYS A 42 18.139 11.704 -16.837 1.00 0.00 C ATOM 166 C CYS A 42 19.109 11.442 -17.988 1.00 0.00 C ATOM 167 O CYS A 42 18.994 10.457 -18.707 1.00 0.00 O ATOM 168 CB CYS A 42 18.191 10.543 -15.842 1.00 0.00 C ATOM 169 SG CYS A 42 19.841 10.453 -15.094 1.00 0.00 S ATOM 0 H CYS A 42 16.193 11.032 -17.264 1.00 0.00 H new ATOM 0 HA CYS A 42 18.436 12.626 -16.337 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.437 10.681 -15.067 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.959 9.606 -16.349 1.00 0.00 H new ATOM 174 N MET A 43 20.066 12.336 -18.155 1.00 0.00 N ATOM 175 CA MET A 43 21.042 12.191 -19.227 1.00 0.00 C ATOM 176 C MET A 43 21.861 10.924 -19.040 1.00 0.00 C ATOM 177 O MET A 43 22.745 10.621 -19.842 1.00 0.00 O ATOM 178 CB MET A 43 21.973 13.400 -19.244 1.00 0.00 C ATOM 179 CG MET A 43 22.760 13.466 -17.928 1.00 0.00 C ATOM 180 SD MET A 43 24.218 12.394 -18.047 1.00 0.00 S ATOM 181 CE MET A 43 25.479 13.665 -17.784 1.00 0.00 C ATOM 0 H MET A 43 20.191 13.163 -17.571 1.00 0.00 H new ATOM 0 HA MET A 43 20.507 12.126 -20.174 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.661 13.330 -20.087 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.395 14.314 -19.379 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.065 14.493 -17.724 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.129 13.150 -17.097 1.00 0.00 H new ATOM 0 HE1 MET A 43 26.468 13.209 -17.820 1.00 0.00 H new ATOM 0 HE2 MET A 43 25.400 14.422 -18.564 1.00 0.00 H new ATOM 0 HE3 MET A 43 25.329 14.130 -16.810 1.00 0.00 H new ATOM 191 N ARG A 44 21.573 10.186 -17.965 1.00 0.00 N ATOM 192 CA ARG A 44 22.303 8.953 -17.668 1.00 0.00 C ATOM 193 C ARG A 44 21.431 7.718 -17.880 1.00 0.00 C ATOM 194 O ARG A 44 21.481 7.086 -18.935 1.00 0.00 O ATOM 195 CB ARG A 44 22.810 8.988 -16.223 1.00 0.00 C ATOM 196 CG ARG A 44 23.858 7.879 -16.018 1.00 0.00 C ATOM 197 CD ARG A 44 25.248 8.411 -16.369 1.00 0.00 C ATOM 198 NE ARG A 44 26.237 7.350 -16.259 1.00 0.00 N ATOM 199 CZ ARG A 44 27.533 7.615 -16.357 1.00 0.00 C ATOM 200 NH1 ARG A 44 27.935 8.841 -16.552 1.00 0.00 N ATOM 201 NH2 ARG A 44 28.402 6.651 -16.260 1.00 0.00 N1+ ATOM 0 H ARG A 44 20.844 10.419 -17.290 1.00 0.00 H new ATOM 0 HA ARG A 44 23.147 8.889 -18.355 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.248 9.962 -16.004 1.00 0.00 H new ATOM 0 HB3 ARG A 44 21.979 8.850 -15.532 1.00 0.00 H new ATOM 0 HG2 ARG A 44 23.840 7.535 -14.984 1.00 0.00 H new ATOM 0 HG3 ARG A 44 23.619 7.019 -16.644 1.00 0.00 H new ATOM 0 HD2 ARG A 44 25.246 8.812 -17.383 1.00 0.00 H new ATOM 0 HD3 ARG A 44 25.510 9.232 -15.702 1.00 0.00 H new ATOM 0 HE ARG A 44 25.930 6.390 -16.104 1.00 0.00 H new ATOM 0 HH11 ARG A 44 27.253 9.595 -16.629 1.00 0.00 H new ATOM 0 HH12 ARG A 44 28.932 9.045 -16.627 1.00 0.00 H new ATOM 0 HH21 ARG A 44 28.086 5.693 -16.109 1.00 0.00 H new ATOM 0 HH22 ARG A 44 29.399 6.854 -16.335 1.00 0.00 H new ATOM 215 N CYS A 45 20.645 7.365 -16.867 1.00 0.00 N ATOM 216 CA CYS A 45 19.792 6.192 -16.943 1.00 0.00 C ATOM 217 C CYS A 45 18.524 6.494 -17.733 1.00 0.00 C ATOM 218 O CYS A 45 17.706 5.606 -17.970 1.00 0.00 O ATOM 219 CB CYS A 45 19.432 5.730 -15.532 1.00 0.00 C ATOM 220 SG CYS A 45 18.439 7.001 -14.704 1.00 0.00 S ATOM 0 H CYS A 45 20.584 7.876 -15.987 1.00 0.00 H new ATOM 0 HA CYS A 45 20.333 5.399 -17.459 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.876 4.793 -15.577 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.340 5.535 -14.961 1.00 0.00 H new ATOM 225 N ARG A 46 18.368 7.746 -18.151 1.00 0.00 N ATOM 226 CA ARG A 46 17.199 8.136 -18.925 1.00 0.00 C ATOM 227 C ARG A 46 15.912 7.730 -18.223 1.00 0.00 C ATOM 228 O ARG A 46 14.972 7.255 -18.860 1.00 0.00 O ATOM 229 CB ARG A 46 17.259 7.492 -20.308 1.00 0.00 C ATOM 230 CG ARG A 46 18.444 8.070 -21.087 1.00 0.00 C ATOM 231 CD ARG A 46 18.470 7.467 -22.493 1.00 0.00 C ATOM 232 NE ARG A 46 18.729 6.032 -22.423 1.00 0.00 N ATOM 233 CZ ARG A 46 19.969 5.557 -22.354 1.00 0.00 C ATOM 234 NH1 ARG A 46 20.984 6.379 -22.352 1.00 0.00 N ATOM 235 NH2 ARG A 46 20.173 4.270 -22.289 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.030 8.500 -17.968 1.00 0.00 H new ATOM 0 HA ARG A 46 17.203 9.221 -19.024 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.364 6.411 -20.214 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.330 7.676 -20.848 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.360 9.155 -21.146 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.377 7.850 -20.568 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.518 7.648 -22.992 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.240 7.954 -23.091 1.00 0.00 H new ATOM 0 HE ARG A 46 17.944 5.381 -22.427 1.00 0.00 H new ATOM 0 HH11 ARG A 46 20.825 7.385 -22.403 1.00 0.00 H new ATOM 0 HH12 ARG A 46 21.935 6.015 -22.299 1.00 0.00 H new ATOM 0 HH21 ARG A 46 19.381 3.627 -22.291 1.00 0.00 H new ATOM 0 HH22 ARG A 46 21.125 3.906 -22.236 1.00 0.00 H new ATOM 249 N LYS A 47 15.868 7.931 -16.907 1.00 0.00 N ATOM 250 CA LYS A 47 14.676 7.598 -16.128 1.00 0.00 C ATOM 251 C LYS A 47 13.886 8.860 -15.803 1.00 0.00 C ATOM 252 O LYS A 47 14.152 9.534 -14.809 1.00 0.00 O ATOM 253 CB LYS A 47 15.077 6.899 -14.829 1.00 0.00 C ATOM 254 CG LYS A 47 15.589 5.490 -15.144 1.00 0.00 C ATOM 255 CD LYS A 47 15.980 4.785 -13.845 1.00 0.00 C ATOM 256 CE LYS A 47 16.393 3.343 -14.149 1.00 0.00 C ATOM 257 NZ LYS A 47 16.765 2.657 -12.881 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.637 8.320 -16.361 1.00 0.00 H new ATOM 0 HA LYS A 47 14.052 6.929 -16.720 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.850 7.473 -14.319 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.223 6.845 -14.154 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.818 4.919 -15.662 1.00 0.00 H new ATOM 0 HG3 LYS A 47 16.448 5.545 -15.813 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.802 5.316 -13.364 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.143 4.795 -13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.574 2.813 -14.635 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.235 3.332 -14.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.046 1.677 -13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.559 3.159 -12.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.950 2.656 -12.235 1.00 0.00 H new ATOM 271 N VAL A 48 12.909 9.170 -16.650 1.00 0.00 N ATOM 272 CA VAL A 48 12.081 10.354 -16.448 1.00 0.00 C ATOM 273 C VAL A 48 11.407 10.298 -15.086 1.00 0.00 C ATOM 274 O VAL A 48 10.656 9.366 -14.790 1.00 0.00 O ATOM 275 CB VAL A 48 11.012 10.439 -17.551 1.00 0.00 C ATOM 276 CG1 VAL A 48 11.595 11.119 -18.790 1.00 0.00 C ATOM 277 CG2 VAL A 48 10.552 9.025 -17.915 1.00 0.00 C ATOM 0 H VAL A 48 12.672 8.622 -17.477 1.00 0.00 H new ATOM 0 HA VAL A 48 12.717 11.238 -16.493 1.00 0.00 H new ATOM 0 HB VAL A 48 10.165 11.022 -17.189 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.832 11.176 -19.567 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.925 12.125 -18.531 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.444 10.542 -19.156 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.794 9.079 -18.697 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.403 8.447 -18.274 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.131 8.541 -17.034 1.00 0.00 H new ATOM 287 N LYS A 49 11.685 11.296 -14.256 1.00 0.00 N ATOM 288 CA LYS A 49 11.117 11.364 -12.912 1.00 0.00 C ATOM 289 C LYS A 49 10.721 12.790 -12.568 1.00 0.00 C ATOM 290 O LYS A 49 11.140 13.737 -13.231 1.00 0.00 O ATOM 291 CB LYS A 49 12.129 10.853 -11.894 1.00 0.00 C ATOM 292 CG LYS A 49 12.278 9.324 -11.997 1.00 0.00 C ATOM 293 CD LYS A 49 11.134 8.626 -11.248 1.00 0.00 C ATOM 294 CE LYS A 49 11.369 7.119 -11.254 1.00 0.00 C ATOM 295 NZ LYS A 49 12.609 6.812 -10.494 1.00 0.00 N1+ ATOM 0 H LYS A 49 12.303 12.073 -14.490 1.00 0.00 H new ATOM 0 HA LYS A 49 10.225 10.738 -12.883 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.095 11.330 -12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.810 11.126 -10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.275 9.021 -13.044 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.237 9.016 -11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.079 8.992 -10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.180 8.858 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.518 6.605 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.458 6.757 -12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.562 5.838 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.433 6.909 -11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.701 7.474 -9.697 1.00 0.00 H new ATOM 309 N GLY A 50 9.909 12.933 -11.527 1.00 0.00 N ATOM 310 CA GLY A 50 9.445 14.248 -11.094 1.00 0.00 C ATOM 311 C GLY A 50 10.373 14.842 -10.046 1.00 0.00 C ATOM 312 O GLY A 50 11.418 14.274 -9.731 1.00 0.00 O ATOM 0 H GLY A 50 9.558 12.156 -10.967 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.387 14.917 -11.953 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.438 14.165 -10.686 1.00 0.00 H new ATOM 316 N ILE A 51 9.990 16.000 -9.513 1.00 0.00 N ATOM 317 CA ILE A 51 10.805 16.662 -8.504 1.00 0.00 C ATOM 318 C ILE A 51 11.064 15.736 -7.309 1.00 0.00 C ATOM 319 O ILE A 51 11.818 16.079 -6.398 1.00 0.00 O ATOM 320 CB ILE A 51 10.097 17.935 -8.024 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.058 18.772 -7.175 1.00 0.00 C ATOM 322 CG2 ILE A 51 8.874 17.558 -7.179 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.473 20.166 -6.973 1.00 0.00 C ATOM 0 H ILE A 51 9.132 16.492 -9.760 1.00 0.00 H new ATOM 0 HA ILE A 51 11.764 16.919 -8.953 1.00 0.00 H new ATOM 0 HB ILE A 51 9.778 18.514 -8.891 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.222 18.291 -6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.029 18.841 -7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.373 18.464 -6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.184 16.966 -7.781 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.194 16.975 -6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.156 20.763 -6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.332 20.645 -7.942 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.512 20.087 -6.464 1.00 0.00 H new ATOM 335 N ASP A 52 10.434 14.568 -7.312 1.00 0.00 N ATOM 336 CA ASP A 52 10.604 13.617 -6.224 1.00 0.00 C ATOM 337 C ASP A 52 11.963 12.936 -6.306 1.00 0.00 C ATOM 338 O ASP A 52 12.705 12.883 -5.324 1.00 0.00 O ATOM 339 CB ASP A 52 9.497 12.563 -6.293 1.00 0.00 C ATOM 340 CG ASP A 52 9.480 11.905 -7.670 1.00 0.00 C ATOM 341 OD1 ASP A 52 10.030 12.485 -8.593 1.00 0.00 O ATOM 342 OD2 ASP A 52 8.916 10.829 -7.783 1.00 0.00 O1- ATOM 0 H ASP A 52 9.804 14.259 -8.052 1.00 0.00 H new ATOM 0 HA ASP A 52 10.545 14.156 -5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.656 11.808 -5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.531 13.026 -6.091 1.00 0.00 H new ATOM 347 N SER A 53 12.281 12.414 -7.482 1.00 0.00 N ATOM 348 CA SER A 53 13.560 11.727 -7.687 1.00 0.00 C ATOM 349 C SER A 53 14.622 12.707 -8.179 1.00 0.00 C ATOM 350 O SER A 53 15.760 12.320 -8.438 1.00 0.00 O ATOM 351 CB SER A 53 13.403 10.584 -8.699 1.00 0.00 C ATOM 352 OG SER A 53 13.897 11.000 -9.962 1.00 0.00 O ATOM 0 H SER A 53 11.681 12.449 -8.306 1.00 0.00 H new ATOM 0 HA SER A 53 13.877 11.311 -6.730 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.946 9.703 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.354 10.299 -8.783 1.00 0.00 H new ATOM 0 HG SER A 53 14.517 10.325 -10.309 1.00 0.00 H new ATOM 358 N TYR A 54 14.241 13.978 -8.302 1.00 0.00 N ATOM 359 CA TYR A 54 15.165 15.021 -8.761 1.00 0.00 C ATOM 360 C TYR A 54 15.347 16.088 -7.692 1.00 0.00 C ATOM 361 O TYR A 54 14.376 16.622 -7.157 1.00 0.00 O ATOM 362 CB TYR A 54 14.622 15.660 -10.060 1.00 0.00 C ATOM 363 CG TYR A 54 15.244 14.991 -11.268 1.00 0.00 C ATOM 364 CD1 TYR A 54 14.920 13.668 -11.584 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.156 15.696 -12.060 1.00 0.00 C ATOM 366 CE1 TYR A 54 15.505 13.051 -12.693 1.00 0.00 C ATOM 367 CE2 TYR A 54 16.741 15.080 -13.167 1.00 0.00 C ATOM 368 CZ TYR A 54 16.416 13.757 -13.483 1.00 0.00 C ATOM 369 OH TYR A 54 16.993 13.148 -14.576 1.00 0.00 O ATOM 0 H TYR A 54 13.301 14.313 -8.091 1.00 0.00 H new ATOM 0 HA TYR A 54 16.136 14.566 -8.959 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.537 15.560 -10.098 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.845 16.727 -10.070 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.218 13.123 -10.971 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.408 16.717 -11.815 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.253 12.030 -12.939 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.444 15.625 -13.779 1.00 0.00 H new ATOM 0 HH TYR A 54 17.840 12.733 -14.310 1.00 0.00 H new ATOM 379 N SER A 55 16.603 16.394 -7.391 1.00 0.00 N ATOM 380 CA SER A 55 16.911 17.398 -6.389 1.00 0.00 C ATOM 381 C SER A 55 16.314 18.742 -6.790 1.00 0.00 C ATOM 382 O SER A 55 16.126 19.021 -7.975 1.00 0.00 O ATOM 383 CB SER A 55 18.427 17.535 -6.238 1.00 0.00 C ATOM 384 OG SER A 55 18.710 18.561 -5.296 1.00 0.00 O ATOM 0 H SER A 55 17.419 15.962 -7.826 1.00 0.00 H new ATOM 0 HA SER A 55 16.480 17.087 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.859 16.591 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.881 17.772 -7.200 1.00 0.00 H new ATOM 0 HG SER A 55 19.621 18.448 -4.953 1.00 0.00 H new ATOM 390 N LYS A 56 16.016 19.568 -5.796 1.00 0.00 N ATOM 391 CA LYS A 56 15.434 20.881 -6.052 1.00 0.00 C ATOM 392 C LYS A 56 16.341 21.700 -6.963 1.00 0.00 C ATOM 393 O LYS A 56 15.868 22.427 -7.836 1.00 0.00 O ATOM 394 CB LYS A 56 15.225 21.622 -4.728 1.00 0.00 C ATOM 395 CG LYS A 56 16.569 21.796 -4.016 1.00 0.00 C ATOM 396 CD LYS A 56 16.343 22.424 -2.639 1.00 0.00 C ATOM 397 CE LYS A 56 17.697 22.721 -1.990 1.00 0.00 C ATOM 398 NZ LYS A 56 18.404 21.440 -1.705 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.166 19.355 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 56 14.473 20.745 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.772 22.596 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.536 21.065 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 56 17.063 20.830 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 56 17.228 22.428 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.764 23.342 -2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.765 21.748 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 56 18.301 23.342 -2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.554 23.283 -1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 19.200 21.619 -1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.744 20.770 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 18.762 21.036 -2.594 1.00 0.00 H new ATOM 412 N THR A 57 17.644 21.578 -6.753 1.00 0.00 N ATOM 413 CA THR A 57 18.611 22.311 -7.560 1.00 0.00 C ATOM 414 C THR A 57 18.599 21.808 -9.002 1.00 0.00 C ATOM 415 O THR A 57 18.511 22.595 -9.941 1.00 0.00 O ATOM 416 CB THR A 57 20.022 22.149 -6.969 1.00 0.00 C ATOM 417 OG1 THR A 57 20.984 22.209 -8.013 1.00 0.00 O ATOM 418 CG2 THR A 57 20.134 20.799 -6.254 1.00 0.00 C ATOM 0 H THR A 57 18.055 20.982 -6.035 1.00 0.00 H new ATOM 0 HA THR A 57 18.335 23.365 -7.553 1.00 0.00 H new ATOM 0 HB THR A 57 20.205 22.952 -6.255 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.883 22.107 -7.636 1.00 0.00 H new ATOM 0 HG21 THR A 57 21.135 20.690 -5.838 1.00 0.00 H new ATOM 0 HG22 THR A 57 19.399 20.751 -5.450 1.00 0.00 H new ATOM 0 HG23 THR A 57 19.947 19.994 -6.965 1.00 0.00 H new ATOM 426 N GLN A 58 18.691 20.492 -9.169 1.00 0.00 N ATOM 427 CA GLN A 58 18.700 19.900 -10.501 1.00 0.00 C ATOM 428 C GLN A 58 17.404 20.215 -11.235 1.00 0.00 C ATOM 429 O GLN A 58 17.419 20.608 -12.400 1.00 0.00 O ATOM 430 CB GLN A 58 18.872 18.384 -10.389 1.00 0.00 C ATOM 431 CG GLN A 58 20.260 18.065 -9.829 1.00 0.00 C ATOM 432 CD GLN A 58 20.396 16.564 -9.600 1.00 0.00 C ATOM 433 OE1 GLN A 58 19.486 15.802 -9.924 1.00 0.00 O ATOM 434 NE2 GLN A 58 21.483 16.093 -9.054 1.00 0.00 N ATOM 0 H GLN A 58 18.760 19.820 -8.404 1.00 0.00 H new ATOM 0 HA GLN A 58 19.532 20.322 -11.065 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.102 17.967 -9.739 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.748 17.920 -11.368 1.00 0.00 H new ATOM 0 HG2 GLN A 58 21.029 18.407 -10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.415 18.600 -8.892 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.236 16.727 -8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 58 21.580 15.090 -8.895 1.00 0.00 H new ATOM 443 N TRP A 59 16.285 20.045 -10.544 1.00 0.00 N ATOM 444 CA TRP A 59 14.981 20.318 -11.136 1.00 0.00 C ATOM 445 C TRP A 59 14.849 21.798 -11.485 1.00 0.00 C ATOM 446 O TRP A 59 14.289 22.151 -12.520 1.00 0.00 O ATOM 447 CB TRP A 59 13.869 19.922 -10.162 1.00 0.00 C ATOM 448 CG TRP A 59 12.538 20.233 -10.770 1.00 0.00 C ATOM 449 CD1 TRP A 59 11.830 19.395 -11.561 1.00 0.00 C ATOM 450 CD2 TRP A 59 11.747 21.452 -10.654 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.652 20.018 -11.933 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.555 21.289 -11.400 1.00 0.00 C ATOM 453 CE3 TRP A 59 11.942 22.669 -9.975 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.597 22.301 -11.476 1.00 0.00 C ATOM 455 CZ3 TRP A 59 10.980 23.688 -10.049 1.00 0.00 C ATOM 456 CH2 TRP A 59 9.808 23.504 -10.797 1.00 0.00 C ATOM 0 H TRP A 59 16.253 19.721 -9.577 1.00 0.00 H new ATOM 0 HA TRP A 59 14.890 19.730 -12.049 1.00 0.00 H new ATOM 0 HB2 TRP A 59 13.935 18.859 -9.931 1.00 0.00 H new ATOM 0 HB3 TRP A 59 13.986 20.461 -9.222 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.135 18.401 -11.854 1.00 0.00 H new ATOM 0 HE1 TRP A 59 9.942 19.591 -12.528 1.00 0.00 H new ATOM 0 HE3 TRP A 59 12.839 22.820 -9.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.698 22.155 -12.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 11.143 24.619 -9.527 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.070 24.291 -10.848 1.00 0.00 H new ATOM 467 N SER A 60 15.365 22.656 -10.612 1.00 0.00 N ATOM 468 CA SER A 60 15.299 24.099 -10.833 1.00 0.00 C ATOM 469 C SER A 60 16.227 24.522 -11.972 1.00 0.00 C ATOM 470 O SER A 60 15.970 25.510 -12.658 1.00 0.00 O ATOM 471 CB SER A 60 15.689 24.841 -9.555 1.00 0.00 C ATOM 472 OG SER A 60 17.007 24.467 -9.175 1.00 0.00 O ATOM 0 H SER A 60 15.832 22.381 -9.748 1.00 0.00 H new ATOM 0 HA SER A 60 14.275 24.353 -11.107 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.637 25.918 -9.716 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.987 24.604 -8.755 1.00 0.00 H new ATOM 0 HG SER A 60 17.301 23.707 -9.719 1.00 0.00 H new ATOM 478 N LYS A 61 17.301 23.764 -12.164 1.00 0.00 N ATOM 479 CA LYS A 61 18.263 24.060 -13.222 1.00 0.00 C ATOM 480 C LYS A 61 17.616 23.904 -14.588 1.00 0.00 C ATOM 481 O LYS A 61 18.018 24.546 -15.556 1.00 0.00 O ATOM 482 CB LYS A 61 19.482 23.130 -13.105 1.00 0.00 C ATOM 483 CG LYS A 61 20.483 23.707 -12.104 1.00 0.00 C ATOM 484 CD LYS A 61 21.634 22.720 -11.913 1.00 0.00 C ATOM 485 CE LYS A 61 22.562 23.246 -10.827 1.00 0.00 C ATOM 486 NZ LYS A 61 23.658 22.263 -10.589 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.528 22.943 -11.604 1.00 0.00 H new ATOM 0 HA LYS A 61 18.594 25.092 -13.110 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.164 22.138 -12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.956 23.013 -14.080 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.864 24.663 -12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.991 23.899 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.247 21.739 -11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 61 22.181 22.594 -12.847 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.980 24.207 -11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 61 22.003 23.413 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.292 22.623 -9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.251 21.355 -10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 24.197 22.125 -11.468 1.00 0.00 H new ATOM 500 N THR A 62 16.625 23.035 -14.656 1.00 0.00 N ATOM 501 CA THR A 62 15.941 22.783 -15.917 1.00 0.00 C ATOM 502 C THR A 62 15.166 24.012 -16.378 1.00 0.00 C ATOM 503 O THR A 62 14.630 24.038 -17.483 1.00 0.00 O ATOM 504 CB THR A 62 14.981 21.604 -15.779 1.00 0.00 C ATOM 505 OG1 THR A 62 13.961 21.935 -14.850 1.00 0.00 O ATOM 506 CG2 THR A 62 15.742 20.378 -15.287 1.00 0.00 C ATOM 0 H THR A 62 16.276 22.495 -13.864 1.00 0.00 H new ATOM 0 HA THR A 62 16.701 22.547 -16.662 1.00 0.00 H new ATOM 0 HB THR A 62 14.534 21.384 -16.748 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.405 22.654 -15.217 1.00 0.00 H new ATOM 0 HG21 THR A 62 15.054 19.538 -15.189 1.00 0.00 H new ATOM 0 HG22 THR A 62 16.525 20.125 -16.002 1.00 0.00 H new ATOM 0 HG23 THR A 62 16.191 20.594 -14.318 1.00 0.00 H new ATOM 514 N PHE A 63 15.103 25.026 -15.521 1.00 0.00 N ATOM 515 CA PHE A 63 14.385 26.259 -15.837 1.00 0.00 C ATOM 516 C PHE A 63 15.342 27.440 -15.809 1.00 0.00 C ATOM 517 O PHE A 63 16.238 27.511 -14.965 1.00 0.00 O ATOM 518 CB PHE A 63 13.284 26.491 -14.804 1.00 0.00 C ATOM 519 CG PHE A 63 12.368 25.298 -14.768 1.00 0.00 C ATOM 520 CD1 PHE A 63 12.675 24.212 -13.947 1.00 0.00 C ATOM 521 CD2 PHE A 63 11.216 25.282 -15.552 1.00 0.00 C ATOM 522 CE1 PHE A 63 11.826 23.098 -13.910 1.00 0.00 C ATOM 523 CE2 PHE A 63 10.361 24.169 -15.520 1.00 0.00 C ATOM 524 CZ PHE A 63 10.668 23.075 -14.698 1.00 0.00 C ATOM 0 H PHE A 63 15.541 25.019 -14.600 1.00 0.00 H new ATOM 0 HA PHE A 63 13.948 26.166 -16.831 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.723 26.655 -13.820 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.719 27.389 -15.055 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.568 24.230 -13.340 1.00 0.00 H new ATOM 0 HD2 PHE A 63 10.981 26.126 -16.184 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.064 22.258 -13.275 1.00 0.00 H new ATOM 0 HE2 PHE A 63 9.468 24.155 -16.127 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.013 22.217 -14.673 1.00 0.00 H new ATOM 534 N THR A 64 15.146 28.370 -16.736 1.00 0.00 N ATOM 535 CA THR A 64 15.986 29.562 -16.827 1.00 0.00 C ATOM 536 C THR A 64 15.146 30.807 -16.608 1.00 0.00 C ATOM 537 O THR A 64 13.927 30.792 -16.773 1.00 0.00 O ATOM 538 CB THR A 64 16.656 29.626 -18.213 1.00 0.00 C ATOM 539 OG1 THR A 64 15.739 29.180 -19.202 1.00 0.00 O ATOM 540 CG2 THR A 64 17.906 28.735 -18.234 1.00 0.00 C ATOM 0 H THR A 64 14.409 28.322 -17.440 1.00 0.00 H new ATOM 0 HA THR A 64 16.756 29.511 -16.057 1.00 0.00 H new ATOM 0 HB THR A 64 16.949 30.655 -18.422 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.164 29.222 -20.084 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.373 28.786 -19.218 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.612 29.080 -17.479 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.622 27.705 -18.021 1.00 0.00 H new ATOM 548 N PHE A 65 15.813 31.880 -16.225 1.00 0.00 N ATOM 549 CA PHE A 65 15.135 33.152 -15.971 1.00 0.00 C ATOM 550 C PHE A 65 15.331 34.104 -17.142 1.00 0.00 C ATOM 551 O PHE A 65 16.436 34.248 -17.665 1.00 0.00 O ATOM 552 CB PHE A 65 15.682 33.791 -14.671 1.00 0.00 C ATOM 553 CG PHE A 65 14.539 34.138 -13.739 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.673 33.128 -13.308 1.00 0.00 C ATOM 555 CD2 PHE A 65 14.340 35.459 -13.320 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.607 33.438 -12.458 1.00 0.00 C ATOM 557 CE2 PHE A 65 13.273 35.767 -12.472 1.00 0.00 C ATOM 558 CZ PHE A 65 12.408 34.758 -12.043 1.00 0.00 C ATOM 0 H PHE A 65 16.823 31.903 -16.081 1.00 0.00 H new ATOM 0 HA PHE A 65 14.068 32.961 -15.854 1.00 0.00 H new ATOM 0 HB2 PHE A 65 16.367 33.101 -14.178 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.252 34.689 -14.910 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.828 32.109 -13.632 1.00 0.00 H new ATOM 0 HD2 PHE A 65 15.010 36.238 -13.652 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.938 32.659 -12.123 1.00 0.00 H new ATOM 0 HE2 PHE A 65 13.117 36.785 -12.148 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.583 34.998 -11.389 1.00 0.00 H new ATOM 568 N VAL A 66 14.246 34.761 -17.544 1.00 0.00 N ATOM 569 CA VAL A 66 14.303 35.710 -18.651 1.00 0.00 C ATOM 570 C VAL A 66 13.449 36.939 -18.350 1.00 0.00 C ATOM 571 O VAL A 66 12.303 36.819 -17.921 1.00 0.00 O ATOM 572 CB VAL A 66 13.814 35.037 -19.933 1.00 0.00 C ATOM 573 CG1 VAL A 66 12.291 34.899 -19.896 1.00 0.00 C ATOM 574 CG2 VAL A 66 14.219 35.884 -21.143 1.00 0.00 C ATOM 0 H VAL A 66 13.323 34.655 -17.123 1.00 0.00 H new ATOM 0 HA VAL A 66 15.336 36.031 -18.783 1.00 0.00 H new ATOM 0 HB VAL A 66 14.264 34.048 -20.013 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.947 34.419 -20.812 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.001 34.293 -19.038 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.838 35.887 -19.812 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.870 35.403 -22.057 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.771 36.874 -21.060 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.304 35.978 -21.174 1.00 0.00 H new ATOM 584 N ARG A 67 14.008 38.117 -18.595 1.00 0.00 N ATOM 585 CA ARG A 67 13.280 39.357 -18.358 1.00 0.00 C ATOM 586 C ARG A 67 12.522 39.299 -17.034 1.00 0.00 C ATOM 587 O ARG A 67 11.509 39.975 -16.858 1.00 0.00 O ATOM 588 CB ARG A 67 12.296 39.608 -19.502 1.00 0.00 C ATOM 589 CG ARG A 67 13.070 39.952 -20.775 1.00 0.00 C ATOM 590 CD ARG A 67 12.090 40.149 -21.932 1.00 0.00 C ATOM 591 NE ARG A 67 12.818 40.431 -23.166 1.00 0.00 N ATOM 592 CZ ARG A 67 13.191 41.668 -23.481 1.00 0.00 C ATOM 593 NH1 ARG A 67 12.911 42.657 -22.679 1.00 0.00 N ATOM 594 NH2 ARG A 67 13.838 41.890 -24.591 1.00 0.00 N1+ ATOM 0 H ARG A 67 14.955 38.240 -18.954 1.00 0.00 H new ATOM 0 HA ARG A 67 14.001 40.173 -18.309 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.680 38.724 -19.666 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.621 40.424 -19.243 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.656 40.858 -20.623 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.773 39.154 -21.012 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.479 39.255 -22.057 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.410 40.970 -21.706 1.00 0.00 H new ATOM 0 HE ARG A 67 13.045 39.664 -23.799 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.406 42.482 -21.810 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.197 43.606 -22.920 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.058 41.115 -25.217 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.124 42.838 -24.833 1.00 0.00 H new ATOM 608 N GLY A 68 13.022 38.490 -16.103 1.00 0.00 N ATOM 609 CA GLY A 68 12.388 38.359 -14.800 1.00 0.00 C ATOM 610 C GLY A 68 11.224 37.375 -14.852 1.00 0.00 C ATOM 611 O GLY A 68 10.268 37.492 -14.087 1.00 0.00 O ATOM 0 H GLY A 68 13.859 37.920 -16.228 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.121 38.021 -14.068 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.030 39.333 -14.467 1.00 0.00 H new ATOM 615 N ARG A 69 11.307 36.405 -15.759 1.00 0.00 N ATOM 616 CA ARG A 69 10.253 35.399 -15.909 1.00 0.00 C ATOM 617 C ARG A 69 10.852 34.001 -15.937 1.00 0.00 C ATOM 618 O ARG A 69 11.977 33.809 -16.387 1.00 0.00 O ATOM 619 CB ARG A 69 9.477 35.647 -17.203 1.00 0.00 C ATOM 620 CG ARG A 69 8.681 36.947 -17.076 1.00 0.00 C ATOM 621 CD ARG A 69 7.922 37.207 -18.377 1.00 0.00 C ATOM 622 NE ARG A 69 7.181 38.460 -18.286 1.00 0.00 N ATOM 623 CZ ARG A 69 6.524 38.947 -19.334 1.00 0.00 C ATOM 624 NH1 ARG A 69 6.533 38.301 -20.467 1.00 0.00 N ATOM 625 NH2 ARG A 69 5.871 40.072 -19.230 1.00 0.00 N1+ ATOM 0 H ARG A 69 12.091 36.292 -16.402 1.00 0.00 H new ATOM 0 HA ARG A 69 9.577 35.477 -15.058 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.165 35.710 -18.046 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.804 34.813 -17.402 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.982 36.879 -16.242 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.353 37.778 -16.862 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.621 37.249 -19.212 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.236 36.384 -18.577 1.00 0.00 H new ATOM 0 HE ARG A 69 7.167 38.971 -17.403 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.044 37.422 -20.549 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.029 38.675 -21.271 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.865 40.578 -18.344 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.367 40.445 -20.034 1.00 0.00 H new ATOM 639 N THR A 70 10.089 33.027 -15.448 1.00 0.00 N ATOM 640 CA THR A 70 10.556 31.644 -15.416 1.00 0.00 C ATOM 641 C THR A 70 10.256 30.950 -16.739 1.00 0.00 C ATOM 642 O THR A 70 9.106 30.890 -17.174 1.00 0.00 O ATOM 643 CB THR A 70 9.862 30.888 -14.283 1.00 0.00 C ATOM 644 OG1 THR A 70 10.079 31.571 -13.059 1.00 0.00 O ATOM 645 CG2 THR A 70 10.431 29.471 -14.191 1.00 0.00 C ATOM 0 H THR A 70 9.152 33.168 -15.071 1.00 0.00 H new ATOM 0 HA THR A 70 11.633 31.647 -15.251 1.00 0.00 H new ATOM 0 HB THR A 70 8.792 30.834 -14.482 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.633 31.088 -12.332 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.936 28.932 -13.383 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.261 28.949 -15.133 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.501 29.521 -13.991 1.00 0.00 H new ATOM 653 N VAL A 71 11.302 30.426 -17.377 1.00 0.00 N ATOM 654 CA VAL A 71 11.151 29.731 -18.658 1.00 0.00 C ATOM 655 C VAL A 71 11.878 28.392 -18.631 1.00 0.00 C ATOM 656 O VAL A 71 13.006 28.293 -18.158 1.00 0.00 O ATOM 657 CB VAL A 71 11.706 30.602 -19.791 1.00 0.00 C ATOM 658 CG1 VAL A 71 10.759 31.778 -20.063 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.085 31.147 -19.394 1.00 0.00 C ATOM 0 H VAL A 71 12.260 30.468 -17.031 1.00 0.00 H new ATOM 0 HA VAL A 71 10.091 29.547 -18.830 1.00 0.00 H new ATOM 0 HB VAL A 71 11.795 29.994 -20.692 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.162 32.391 -20.869 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.779 31.397 -20.352 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.662 32.383 -19.161 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.478 31.766 -20.201 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.992 31.747 -18.489 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.766 30.316 -19.210 1.00 0.00 H new ATOM 669 N SER A 72 11.217 27.361 -19.143 1.00 0.00 N ATOM 670 CA SER A 72 11.810 26.032 -19.173 1.00 0.00 C ATOM 671 C SER A 72 13.013 26.004 -20.108 1.00 0.00 C ATOM 672 O SER A 72 13.027 26.685 -21.135 1.00 0.00 O ATOM 673 CB SER A 72 10.779 25.012 -19.641 1.00 0.00 C ATOM 674 OG SER A 72 11.344 23.710 -19.582 1.00 0.00 O ATOM 0 H SER A 72 10.279 27.419 -19.539 1.00 0.00 H new ATOM 0 HA SER A 72 12.140 25.780 -18.165 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.889 25.063 -19.013 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.464 25.238 -20.660 1.00 0.00 H new ATOM 0 HG SER A 72 10.682 23.052 -19.881 1.00 0.00 H new ATOM 680 N VAL A 73 14.020 25.219 -19.747 1.00 0.00 N ATOM 681 CA VAL A 73 15.224 25.112 -20.561 1.00 0.00 C ATOM 682 C VAL A 73 14.937 24.329 -21.846 1.00 0.00 C ATOM 683 O VAL A 73 14.168 23.367 -21.839 1.00 0.00 O ATOM 684 CB VAL A 73 16.334 24.420 -19.770 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.504 24.078 -20.702 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.827 25.356 -18.663 1.00 0.00 C ATOM 0 H VAL A 73 14.028 24.650 -18.901 1.00 0.00 H new ATOM 0 HA VAL A 73 15.549 26.117 -20.829 1.00 0.00 H new ATOM 0 HB VAL A 73 15.943 23.502 -19.331 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.291 23.585 -20.132 1.00 0.00 H new ATOM 0 HG12 VAL A 73 17.157 23.412 -21.492 1.00 0.00 H new ATOM 0 HG13 VAL A 73 17.896 24.994 -21.145 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.619 24.865 -18.097 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.214 26.273 -19.107 1.00 0.00 H new ATOM 0 HG23 VAL A 73 16.000 25.597 -17.995 1.00 0.00 H new ATOM 696 N SER A 74 15.567 24.743 -22.940 1.00 0.00 N ATOM 697 CA SER A 74 15.377 24.068 -24.219 1.00 0.00 C ATOM 698 C SER A 74 16.030 22.686 -24.212 1.00 0.00 C ATOM 699 O SER A 74 15.436 21.708 -24.668 1.00 0.00 O ATOM 700 CB SER A 74 15.981 24.904 -25.345 1.00 0.00 C ATOM 701 OG SER A 74 15.238 26.105 -25.482 1.00 0.00 O ATOM 0 H SER A 74 16.208 25.536 -22.968 1.00 0.00 H new ATOM 0 HA SER A 74 14.306 23.949 -24.381 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.025 25.130 -25.127 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.965 24.343 -26.280 1.00 0.00 H new ATOM 0 HG SER A 74 15.622 26.647 -26.202 1.00 0.00 H new ATOM 707 N ASP A 75 17.255 22.610 -23.695 1.00 0.00 N ATOM 708 CA ASP A 75 17.985 21.343 -23.635 1.00 0.00 C ATOM 709 C ASP A 75 18.712 21.216 -22.296 1.00 0.00 C ATOM 710 O ASP A 75 19.908 21.494 -22.205 1.00 0.00 O ATOM 711 CB ASP A 75 18.999 21.272 -24.779 1.00 0.00 C ATOM 712 CG ASP A 75 18.268 21.373 -26.113 1.00 0.00 C ATOM 713 OD1 ASP A 75 18.024 22.486 -26.550 1.00 0.00 O ATOM 714 OD2 ASP A 75 17.957 20.338 -26.676 1.00 0.00 O1- ATOM 0 H ASP A 75 17.763 23.408 -23.312 1.00 0.00 H new ATOM 0 HA ASP A 75 17.273 20.523 -23.732 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.724 22.081 -24.687 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.557 20.337 -24.728 1.00 0.00 H new ATOM 719 N PRO A 76 18.010 20.822 -21.266 1.00 0.00 N ATOM 720 CA PRO A 76 18.595 20.679 -19.904 1.00 0.00 C ATOM 721 C PRO A 76 19.373 19.380 -19.739 1.00 0.00 C ATOM 722 O PRO A 76 18.948 18.328 -20.215 1.00 0.00 O ATOM 723 CB PRO A 76 17.369 20.711 -18.986 1.00 0.00 C ATOM 724 CG PRO A 76 16.236 20.173 -19.813 1.00 0.00 C ATOM 725 CD PRO A 76 16.579 20.457 -21.284 1.00 0.00 C ATOM 0 HA PRO A 76 19.321 21.462 -19.684 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.529 20.103 -18.096 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.160 21.725 -18.646 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.111 19.103 -19.646 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.296 20.651 -19.537 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.400 19.582 -21.909 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.968 21.266 -21.685 1.00 0.00 H new ATOM 733 N LYS A 77 20.511 19.460 -19.054 1.00 0.00 N ATOM 734 CA LYS A 77 21.344 18.285 -18.808 1.00 0.00 C ATOM 735 C LYS A 77 21.701 18.190 -17.333 1.00 0.00 C ATOM 736 O LYS A 77 22.471 19.001 -16.814 1.00 0.00 O ATOM 737 CB LYS A 77 22.622 18.366 -19.644 1.00 0.00 C ATOM 738 CG LYS A 77 22.285 18.119 -21.115 1.00 0.00 C ATOM 739 CD LYS A 77 23.565 18.179 -21.945 1.00 0.00 C ATOM 740 CE LYS A 77 23.237 17.871 -23.402 1.00 0.00 C ATOM 741 NZ LYS A 77 24.489 17.910 -24.213 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.878 20.326 -18.659 1.00 0.00 H new ATOM 0 HA LYS A 77 20.783 17.395 -19.094 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.085 19.345 -19.525 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.344 17.627 -19.296 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.808 17.146 -21.232 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.574 18.867 -21.467 1.00 0.00 H new ATOM 0 HD2 LYS A 77 24.019 19.167 -21.864 1.00 0.00 H new ATOM 0 HD3 LYS A 77 24.292 17.462 -21.565 1.00 0.00 H new ATOM 0 HE2 LYS A 77 22.770 16.889 -23.481 1.00 0.00 H new ATOM 0 HE3 LYS A 77 22.520 18.597 -23.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 24.266 17.700 -25.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 24.916 18.856 -24.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 25.159 17.201 -23.852 1.00 0.00 H new ATOM 755 N VAL A 78 21.139 17.193 -16.665 1.00 0.00 N ATOM 756 CA VAL A 78 21.397 16.981 -15.240 1.00 0.00 C ATOM 757 C VAL A 78 21.387 15.492 -14.910 1.00 0.00 C ATOM 758 O VAL A 78 20.918 14.673 -15.701 1.00 0.00 O ATOM 759 CB VAL A 78 20.340 17.712 -14.400 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.686 19.202 -14.324 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.964 17.540 -15.054 1.00 0.00 C ATOM 0 H VAL A 78 20.501 16.516 -17.083 1.00 0.00 H new ATOM 0 HA VAL A 78 22.382 17.383 -15.002 1.00 0.00 H new ATOM 0 HB VAL A 78 20.322 17.293 -13.394 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.935 19.720 -13.727 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.665 19.325 -13.861 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.704 19.623 -15.329 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.211 18.058 -14.460 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.984 17.960 -16.060 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.717 16.480 -15.108 1.00 0.00 H new ATOM 771 N ILE A 79 21.908 15.149 -13.737 1.00 0.00 N ATOM 772 CA ILE A 79 21.963 13.755 -13.297 1.00 0.00 C ATOM 773 C ILE A 79 20.951 13.510 -12.182 1.00 0.00 C ATOM 774 O ILE A 79 20.748 14.361 -11.315 1.00 0.00 O ATOM 775 CB ILE A 79 23.367 13.418 -12.797 1.00 0.00 C ATOM 776 CG1 ILE A 79 24.379 13.736 -13.899 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.443 11.926 -12.464 1.00 0.00 C ATOM 778 CD1 ILE A 79 25.794 13.466 -13.388 1.00 0.00 C ATOM 0 H ILE A 79 22.299 15.816 -13.072 1.00 0.00 H new ATOM 0 HA ILE A 79 21.719 13.115 -14.145 1.00 0.00 H new ATOM 0 HB ILE A 79 23.590 14.005 -11.906 1.00 0.00 H new ATOM 0 HG12 ILE A 79 24.177 13.126 -14.780 1.00 0.00 H new ATOM 0 HG13 ILE A 79 24.284 14.778 -14.204 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.444 11.683 -12.107 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.714 11.689 -11.689 1.00 0.00 H new ATOM 0 HG23 ILE A 79 23.225 11.342 -13.358 1.00 0.00 H new ATOM 0 HD11 ILE A 79 26.514 13.693 -14.174 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.994 14.095 -12.520 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.885 12.417 -13.105 1.00 0.00 H new ATOM 790 N CYS A 80 20.321 12.341 -12.208 1.00 0.00 N ATOM 791 CA CYS A 80 19.333 11.988 -11.196 1.00 0.00 C ATOM 792 C CYS A 80 20.023 11.547 -9.906 1.00 0.00 C ATOM 793 O CYS A 80 21.231 11.307 -9.886 1.00 0.00 O ATOM 794 CB CYS A 80 18.429 10.864 -11.711 1.00 0.00 C ATOM 795 SG CYS A 80 19.334 9.301 -11.710 1.00 0.00 S ATOM 0 H CYS A 80 20.476 11.624 -12.916 1.00 0.00 H new ATOM 0 HA CYS A 80 18.725 12.868 -10.986 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.542 10.782 -11.083 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.085 11.095 -12.719 1.00 0.00 H new ATOM 800 N ARG A 81 19.247 11.448 -8.834 1.00 0.00 N ATOM 801 CA ARG A 81 19.784 11.038 -7.540 1.00 0.00 C ATOM 802 C ARG A 81 20.268 9.589 -7.585 1.00 0.00 C ATOM 803 O ARG A 81 21.142 9.191 -6.818 1.00 0.00 O ATOM 804 CB ARG A 81 18.716 11.189 -6.455 1.00 0.00 C ATOM 805 CG ARG A 81 18.523 12.669 -6.128 1.00 0.00 C ATOM 806 CD ARG A 81 17.397 12.822 -5.108 1.00 0.00 C ATOM 807 NE ARG A 81 17.256 14.222 -4.719 1.00 0.00 N ATOM 808 CZ ARG A 81 18.026 14.750 -3.770 1.00 0.00 C ATOM 809 NH1 ARG A 81 18.924 14.012 -3.175 1.00 0.00 N ATOM 810 NH2 ARG A 81 17.884 16.002 -3.433 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.246 11.645 -8.833 1.00 0.00 H new ATOM 0 HA ARG A 81 20.632 11.681 -7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.775 10.755 -6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.014 10.644 -5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.447 13.088 -5.731 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.285 13.225 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.461 12.459 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.607 12.212 -4.229 1.00 0.00 H new ATOM 0 HE ARG A 81 16.557 14.804 -5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.035 13.033 -3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 81 19.515 14.415 -2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.182 16.579 -3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.475 16.405 -2.706 1.00 0.00 H new ATOM 824 N THR A 82 19.688 8.806 -8.487 1.00 0.00 N ATOM 825 CA THR A 82 20.067 7.406 -8.621 1.00 0.00 C ATOM 826 C THR A 82 21.452 7.275 -9.251 1.00 0.00 C ATOM 827 O THR A 82 22.264 6.456 -8.825 1.00 0.00 O ATOM 828 CB THR A 82 19.038 6.666 -9.479 1.00 0.00 C ATOM 829 OG1 THR A 82 17.730 7.010 -9.047 1.00 0.00 O ATOM 830 CG2 THR A 82 19.240 5.159 -9.329 1.00 0.00 C ATOM 0 H THR A 82 18.960 9.114 -9.131 1.00 0.00 H new ATOM 0 HA THR A 82 20.096 6.963 -7.625 1.00 0.00 H new ATOM 0 HB THR A 82 19.165 6.949 -10.524 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.069 6.538 -9.596 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.508 4.631 -9.940 1.00 0.00 H new ATOM 0 HG22 THR A 82 20.245 4.892 -9.656 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.112 4.877 -8.284 1.00 0.00 H new ATOM 838 N CYS A 83 21.707 8.083 -10.279 1.00 0.00 N ATOM 839 CA CYS A 83 22.988 8.053 -10.979 1.00 0.00 C ATOM 840 C CYS A 83 24.011 8.947 -10.286 1.00 0.00 C ATOM 841 O CYS A 83 25.207 8.862 -10.560 1.00 0.00 O ATOM 842 CB CYS A 83 22.805 8.523 -12.421 1.00 0.00 C ATOM 843 SG CYS A 83 21.775 7.347 -13.329 1.00 0.00 S ATOM 0 H CYS A 83 21.043 8.766 -10.645 1.00 0.00 H new ATOM 0 HA CYS A 83 23.354 7.026 -10.968 1.00 0.00 H new ATOM 0 HB2 CYS A 83 22.343 9.510 -12.435 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.776 8.619 -12.907 1.00 0.00 H new ATOM 848 N GLN A 84 23.538 9.792 -9.380 1.00 0.00 N ATOM 849 CA GLN A 84 24.426 10.684 -8.643 1.00 0.00 C ATOM 850 C GLN A 84 25.621 9.902 -8.093 1.00 0.00 C ATOM 851 O GLN A 84 26.767 10.182 -8.444 1.00 0.00 O ATOM 852 CB GLN A 84 23.650 11.361 -7.489 1.00 0.00 C ATOM 853 CG GLN A 84 23.264 12.788 -7.872 1.00 0.00 C ATOM 854 CD GLN A 84 24.484 13.690 -7.772 1.00 0.00 C ATOM 855 OE1 GLN A 84 25.248 13.808 -8.730 1.00 0.00 O ATOM 856 NE2 GLN A 84 24.722 14.328 -6.660 1.00 0.00 N ATOM 0 H GLN A 84 22.551 9.879 -9.138 1.00 0.00 H new ATOM 0 HA GLN A 84 24.797 11.455 -9.319 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.754 10.785 -7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 84 24.263 11.373 -6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 84 22.866 12.808 -8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 84 22.475 13.152 -7.213 1.00 0.00 H new ATOM 0 HE21 GLN A 84 24.087 14.228 -5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 84 25.544 14.927 -6.582 1.00 0.00 H new ATOM 865 N PRO A 85 25.374 8.942 -7.235 1.00 0.00 N ATOM 866 CA PRO A 85 26.457 8.117 -6.626 1.00 0.00 C ATOM 867 C PRO A 85 27.222 7.319 -7.678 1.00 0.00 C ATOM 868 O PRO A 85 26.662 6.441 -8.332 1.00 0.00 O ATOM 869 CB PRO A 85 25.706 7.187 -5.651 1.00 0.00 C ATOM 870 CG PRO A 85 24.299 7.154 -6.154 1.00 0.00 C ATOM 871 CD PRO A 85 24.044 8.530 -6.743 1.00 0.00 C ATOM 0 HA PRO A 85 27.214 8.726 -6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 85 26.145 6.189 -5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 85 25.751 7.566 -4.630 1.00 0.00 H new ATOM 0 HG2 PRO A 85 24.170 6.376 -6.906 1.00 0.00 H new ATOM 0 HG3 PRO A 85 23.599 6.937 -5.347 1.00 0.00 H new ATOM 0 HD2 PRO A 85 23.311 8.493 -7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 85 23.660 9.223 -5.994 1.00 0.00 H new ATOM 879 N LYS A 86 28.504 7.627 -7.830 1.00 0.00 N ATOM 880 CA LYS A 86 29.338 6.926 -8.800 1.00 0.00 C ATOM 881 C LYS A 86 30.802 6.975 -8.379 1.00 0.00 C ATOM 882 O LYS A 86 31.380 5.960 -7.992 1.00 0.00 O ATOM 883 CB LYS A 86 29.175 7.559 -10.182 1.00 0.00 C ATOM 884 CG LYS A 86 29.980 6.759 -11.207 1.00 0.00 C ATOM 885 CD LYS A 86 29.745 7.338 -12.604 1.00 0.00 C ATOM 886 CE LYS A 86 30.558 6.543 -13.628 1.00 0.00 C ATOM 887 NZ LYS A 86 30.083 5.132 -13.654 1.00 0.00 N1+ ATOM 0 H LYS A 86 28.987 8.352 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 86 29.021 5.884 -8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 86 28.122 7.576 -10.464 1.00 0.00 H new ATOM 0 HB3 LYS A 86 29.517 8.594 -10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 86 31.041 6.795 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 86 29.682 5.711 -11.181 1.00 0.00 H new ATOM 0 HD2 LYS A 86 28.685 7.296 -12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 86 30.037 8.388 -12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 86 30.455 6.991 -14.616 1.00 0.00 H new ATOM 0 HE3 LYS A 86 31.617 6.576 -13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 30.388 4.679 -14.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 30.484 4.616 -12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 29.045 5.114 -13.596 1.00 0.00 H new ATOM 901 N GLN A 87 31.396 8.160 -8.461 1.00 0.00 N ATOM 902 CA GLN A 87 32.795 8.325 -8.090 1.00 0.00 C ATOM 903 C GLN A 87 32.976 8.165 -6.585 1.00 0.00 C ATOM 904 O GLN A 87 33.474 7.141 -6.116 1.00 0.00 O ATOM 905 CB GLN A 87 33.286 9.709 -8.522 1.00 0.00 C ATOM 906 CG GLN A 87 33.176 9.847 -10.042 1.00 0.00 C ATOM 907 CD GLN A 87 34.111 8.855 -10.726 1.00 0.00 C ATOM 908 OE1 GLN A 87 33.654 7.931 -11.396 1.00 0.00 O ATOM 909 NE2 GLN A 87 35.402 8.991 -10.589 1.00 0.00 N ATOM 0 H GLN A 87 30.935 9.013 -8.778 1.00 0.00 H new ATOM 0 HA GLN A 87 33.379 7.556 -8.595 1.00 0.00 H new ATOM 0 HB2 GLN A 87 32.695 10.484 -8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 87 34.320 9.852 -8.209 1.00 0.00 H new ATOM 0 HG2 GLN A 87 32.148 9.668 -10.358 1.00 0.00 H new ATOM 0 HG3 GLN A 87 33.429 10.864 -10.342 1.00 0.00 H new ATOM 0 HE21 GLN A 87 35.778 9.759 -10.032 1.00 0.00 H new ATOM 0 HE22 GLN A 87 36.035 8.330 -11.039 1.00 0.00 H new ATOM 918 N HIS A 88 32.569 9.181 -5.834 1.00 0.00 N ATOM 919 CA HIS A 88 32.689 9.141 -4.381 1.00 0.00 C ATOM 920 C HIS A 88 32.023 10.362 -3.758 1.00 0.00 C ATOM 921 O HIS A 88 32.698 11.276 -3.284 1.00 0.00 O ATOM 922 CB HIS A 88 34.167 9.105 -3.982 1.00 0.00 C ATOM 923 CG HIS A 88 34.874 10.295 -4.567 1.00 0.00 C ATOM 924 ND1 HIS A 88 34.931 10.523 -5.935 1.00 0.00 N ATOM 925 CD2 HIS A 88 35.563 11.332 -3.988 1.00 0.00 C ATOM 926 CE1 HIS A 88 35.630 11.655 -6.129 1.00 0.00 C ATOM 927 NE2 HIS A 88 36.040 12.189 -4.975 1.00 0.00 N ATOM 0 H HIS A 88 32.156 10.037 -6.203 1.00 0.00 H new ATOM 0 HA HIS A 88 32.191 8.242 -4.016 1.00 0.00 H new ATOM 0 HB2 HIS A 88 34.262 9.110 -2.896 1.00 0.00 H new ATOM 0 HB3 HIS A 88 34.628 8.184 -4.338 1.00 0.00 H new ATOM 0 HD2 HIS A 88 35.712 11.463 -2.926 1.00 0.00 H new ATOM 0 HE1 HIS A 88 35.835 12.081 -7.100 1.00 0.00 H new ATOM 0 HE2 HIS A 88 36.585 13.041 -4.845 1.00 0.00 H new ATOM 935 N ASP A 89 30.692 10.372 -3.762 1.00 0.00 N ATOM 936 CA ASP A 89 29.944 11.488 -3.195 1.00 0.00 C ATOM 937 C ASP A 89 29.775 11.307 -1.691 1.00 0.00 C ATOM 938 O ASP A 89 29.442 10.220 -1.220 1.00 0.00 O ATOM 939 CB ASP A 89 28.567 11.579 -3.854 1.00 0.00 C ATOM 940 CG ASP A 89 28.713 12.030 -5.302 1.00 0.00 C ATOM 941 OD1 ASP A 89 29.777 12.517 -5.646 1.00 0.00 O ATOM 942 OD2 ASP A 89 27.759 11.883 -6.047 1.00 0.00 O1- ATOM 0 H ASP A 89 30.114 9.626 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 89 30.500 12.407 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 89 28.071 10.609 -3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 89 27.938 12.282 -3.307 1.00 0.00 H new ATOM 947 N SER A 90 30.009 12.379 -0.940 1.00 0.00 N ATOM 948 CA SER A 90 29.885 12.335 0.516 1.00 0.00 C ATOM 949 C SER A 90 29.273 13.629 1.031 1.00 0.00 C ATOM 950 O SER A 90 29.219 14.630 0.317 1.00 0.00 O ATOM 951 CB SER A 90 31.258 12.130 1.152 1.00 0.00 C ATOM 952 OG SER A 90 32.152 13.124 0.671 1.00 0.00 O ATOM 0 H SER A 90 30.285 13.287 -1.313 1.00 0.00 H new ATOM 0 HA SER A 90 29.236 11.502 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 90 31.181 12.189 2.238 1.00 0.00 H new ATOM 0 HB3 SER A 90 31.638 11.137 0.913 1.00 0.00 H new ATOM 0 HG SER A 90 33.034 12.996 1.079 1.00 0.00 H new ATOM 958 N ILE A 91 28.809 13.602 2.279 1.00 0.00 N ATOM 959 CA ILE A 91 28.195 14.779 2.894 1.00 0.00 C ATOM 960 C ILE A 91 28.853 15.079 4.233 1.00 0.00 C ATOM 961 O ILE A 91 29.053 14.185 5.055 1.00 0.00 O ATOM 962 CB ILE A 91 26.697 14.540 3.092 1.00 0.00 C ATOM 963 CG1 ILE A 91 26.029 14.371 1.724 1.00 0.00 C ATOM 964 CG2 ILE A 91 26.071 15.740 3.814 1.00 0.00 C ATOM 965 CD1 ILE A 91 24.615 13.828 1.914 1.00 0.00 C ATOM 0 H ILE A 91 28.846 12.781 2.883 1.00 0.00 H new ATOM 0 HA ILE A 91 28.337 15.635 2.234 1.00 0.00 H new ATOM 0 HB ILE A 91 26.550 13.641 3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 91 25.996 15.328 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 91 26.612 13.690 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 91 25.004 15.565 3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 91 26.547 15.869 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 91 26.216 16.640 3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 91 24.138 13.707 0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 91 24.661 12.863 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 91 24.035 14.526 2.518 1.00 0.00 H new ATOM 977 N TRP A 92 29.192 16.344 4.445 1.00 0.00 N ATOM 978 CA TRP A 92 29.833 16.756 5.687 1.00 0.00 C ATOM 979 C TRP A 92 28.801 16.888 6.803 1.00 0.00 C ATOM 980 O TRP A 92 27.773 17.547 6.640 1.00 0.00 O ATOM 981 CB TRP A 92 30.554 18.097 5.486 1.00 0.00 C ATOM 982 CG TRP A 92 30.944 18.666 6.818 1.00 0.00 C ATOM 983 CD1 TRP A 92 31.537 17.970 7.815 1.00 0.00 C ATOM 984 CD2 TRP A 92 30.768 20.022 7.315 1.00 0.00 C ATOM 985 NE1 TRP A 92 31.736 18.814 8.893 1.00 0.00 N ATOM 986 CE2 TRP A 92 31.281 20.090 8.633 1.00 0.00 C ATOM 987 CE3 TRP A 92 30.218 21.191 6.758 1.00 0.00 C ATOM 988 CZ2 TRP A 92 31.253 21.274 9.368 1.00 0.00 C ATOM 989 CZ3 TRP A 92 30.187 22.384 7.497 1.00 0.00 C ATOM 990 CH2 TRP A 92 30.702 22.425 8.800 1.00 0.00 C ATOM 0 H TRP A 92 29.035 17.099 3.777 1.00 0.00 H new ATOM 0 HA TRP A 92 30.560 15.995 5.970 1.00 0.00 H new ATOM 0 HB2 TRP A 92 31.440 17.955 4.867 1.00 0.00 H new ATOM 0 HB3 TRP A 92 29.904 18.795 4.958 1.00 0.00 H new ATOM 0 HD1 TRP A 92 31.810 16.926 7.776 1.00 0.00 H new ATOM 0 HE1 TRP A 92 32.166 18.528 9.772 1.00 0.00 H new ATOM 0 HE3 TRP A 92 29.817 21.170 5.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 31.655 21.301 10.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 29.764 23.276 7.059 1.00 0.00 H new ATOM 0 HH2 TRP A 92 30.673 23.345 9.364 1.00 0.00 H new ATOM 1001 N CYS A 93 29.095 16.271 7.945 1.00 0.00 N ATOM 1002 CA CYS A 93 28.208 16.335 9.104 1.00 0.00 C ATOM 1003 C CYS A 93 28.830 17.205 10.186 1.00 0.00 C ATOM 1004 O CYS A 93 30.013 17.066 10.503 1.00 0.00 O ATOM 1005 CB CYS A 93 27.962 14.935 9.662 1.00 0.00 C ATOM 1006 SG CYS A 93 27.158 15.063 11.281 1.00 0.00 S ATOM 0 H CYS A 93 29.941 15.721 8.093 1.00 0.00 H new ATOM 0 HA CYS A 93 27.258 16.767 8.789 1.00 0.00 H new ATOM 0 HB2 CYS A 93 27.335 14.364 8.977 1.00 0.00 H new ATOM 0 HB3 CYS A 93 28.906 14.398 9.754 1.00 0.00 H new ATOM 1011 N THR A 94 28.031 18.102 10.757 1.00 0.00 N ATOM 1012 CA THR A 94 28.521 18.989 11.810 1.00 0.00 C ATOM 1013 C THR A 94 28.207 18.406 13.185 1.00 0.00 C ATOM 1014 O THR A 94 28.732 18.866 14.198 1.00 0.00 O ATOM 1015 CB THR A 94 27.868 20.368 11.677 1.00 0.00 C ATOM 1016 OG1 THR A 94 26.591 20.346 12.302 1.00 0.00 O ATOM 1017 CG2 THR A 94 27.703 20.717 10.195 1.00 0.00 C ATOM 0 H THR A 94 27.050 18.234 10.512 1.00 0.00 H new ATOM 0 HA THR A 94 29.601 19.088 11.705 1.00 0.00 H new ATOM 0 HB THR A 94 28.498 21.116 12.157 1.00 0.00 H new ATOM 0 HG1 THR A 94 26.171 21.228 12.220 1.00 0.00 H new ATOM 0 HG21 THR A 94 27.238 21.699 10.102 1.00 0.00 H new ATOM 0 HG22 THR A 94 28.681 20.731 9.714 1.00 0.00 H new ATOM 0 HG23 THR A 94 27.072 19.970 9.713 1.00 0.00 H new ATOM 1025 N ALA A 95 27.342 17.393 13.214 1.00 0.00 N ATOM 1026 CA ALA A 95 26.962 16.763 14.470 1.00 0.00 C ATOM 1027 C ALA A 95 28.024 15.762 14.904 1.00 0.00 C ATOM 1028 O ALA A 95 28.179 15.490 16.095 1.00 0.00 O ATOM 1029 CB ALA A 95 25.623 16.043 14.309 1.00 0.00 C ATOM 0 H ALA A 95 26.896 16.996 12.387 1.00 0.00 H new ATOM 0 HA ALA A 95 26.870 17.538 15.231 1.00 0.00 H new ATOM 0 HB1 ALA A 95 25.346 15.574 15.253 1.00 0.00 H new ATOM 0 HB2 ALA A 95 24.856 16.762 14.022 1.00 0.00 H new ATOM 0 HB3 ALA A 95 25.711 15.279 13.537 1.00 0.00 H new ATOM 1035 N CYS A 96 28.758 15.216 13.934 1.00 0.00 N ATOM 1036 CA CYS A 96 29.811 14.243 14.224 1.00 0.00 C ATOM 1037 C CYS A 96 31.185 14.855 13.979 1.00 0.00 C ATOM 1038 O CYS A 96 32.161 14.477 14.622 1.00 0.00 O ATOM 1039 CB CYS A 96 29.639 13.008 13.343 1.00 0.00 C ATOM 1040 SG CYS A 96 28.013 12.274 13.645 1.00 0.00 S ATOM 0 H CYS A 96 28.643 15.430 12.943 1.00 0.00 H new ATOM 0 HA CYS A 96 29.734 13.954 15.272 1.00 0.00 H new ATOM 0 HB2 CYS A 96 29.737 13.281 12.292 1.00 0.00 H new ATOM 0 HB3 CYS A 96 30.423 12.282 13.558 1.00 0.00 H new ATOM 1045 N GLN A 97 31.248 15.799 13.040 1.00 0.00 N ATOM 1046 CA GLN A 97 32.508 16.463 12.707 1.00 0.00 C ATOM 1047 C GLN A 97 33.396 15.537 11.886 1.00 0.00 C ATOM 1048 O GLN A 97 34.622 15.593 11.983 1.00 0.00 O ATOM 1049 CB GLN A 97 33.245 16.875 13.995 1.00 0.00 C ATOM 1050 CG GLN A 97 34.188 18.042 13.703 1.00 0.00 C ATOM 1051 CD GLN A 97 33.380 19.309 13.461 1.00 0.00 C ATOM 1052 OE1 GLN A 97 33.407 19.864 12.363 1.00 0.00 O ATOM 1053 NE2 GLN A 97 32.652 19.801 14.426 1.00 0.00 N ATOM 0 H GLN A 97 30.445 16.120 12.499 1.00 0.00 H new ATOM 0 HA GLN A 97 32.284 17.353 12.119 1.00 0.00 H new ATOM 0 HB2 GLN A 97 32.524 17.161 14.761 1.00 0.00 H new ATOM 0 HB3 GLN A 97 33.809 16.029 14.388 1.00 0.00 H new ATOM 0 HG2 GLN A 97 34.870 18.189 14.541 1.00 0.00 H new ATOM 0 HG3 GLN A 97 34.800 17.817 12.829 1.00 0.00 H new ATOM 0 HE21 GLN A 97 32.631 19.339 15.335 1.00 0.00 H new ATOM 0 HE22 GLN A 97 32.104 20.647 14.271 1.00 0.00 H new ATOM 1062 N GLN A 98 32.772 14.682 11.082 1.00 0.00 N ATOM 1063 CA GLN A 98 33.518 13.737 10.248 1.00 0.00 C ATOM 1064 C GLN A 98 32.828 13.554 8.902 1.00 0.00 C ATOM 1065 O GLN A 98 31.641 13.841 8.757 1.00 0.00 O ATOM 1066 CB GLN A 98 33.629 12.383 10.961 1.00 0.00 C ATOM 1067 CG GLN A 98 34.529 12.505 12.197 1.00 0.00 C ATOM 1068 CD GLN A 98 35.955 12.846 11.771 1.00 0.00 C ATOM 1069 OE1 GLN A 98 36.510 12.194 10.889 1.00 0.00 O ATOM 1070 NE2 GLN A 98 36.579 13.836 12.346 1.00 0.00 N ATOM 0 H GLN A 98 31.758 14.621 10.988 1.00 0.00 H new ATOM 0 HA GLN A 98 34.517 14.138 10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 98 32.638 12.038 11.257 1.00 0.00 H new ATOM 0 HB3 GLN A 98 34.036 11.637 10.278 1.00 0.00 H new ATOM 0 HG2 GLN A 98 34.145 13.278 12.862 1.00 0.00 H new ATOM 0 HG3 GLN A 98 34.521 11.570 12.757 1.00 0.00 H new ATOM 0 HE21 GLN A 98 36.116 14.375 13.078 1.00 0.00 H new ATOM 0 HE22 GLN A 98 37.531 14.072 12.064 1.00 0.00 H new ATOM 1079 N THR A 99 33.587 13.080 7.922 1.00 0.00 N ATOM 1080 CA THR A 99 33.046 12.862 6.585 1.00 0.00 C ATOM 1081 C THR A 99 32.227 11.584 6.546 1.00 0.00 C ATOM 1082 O THR A 99 32.647 10.553 7.070 1.00 0.00 O ATOM 1083 CB THR A 99 34.182 12.768 5.565 1.00 0.00 C ATOM 1084 OG1 THR A 99 35.041 13.888 5.714 1.00 0.00 O ATOM 1085 CG2 THR A 99 33.597 12.753 4.153 1.00 0.00 C ATOM 0 H THR A 99 34.573 12.840 8.026 1.00 0.00 H new ATOM 0 HA THR A 99 32.403 13.706 6.334 1.00 0.00 H new ATOM 0 HB THR A 99 34.749 11.852 5.731 1.00 0.00 H new ATOM 0 HG1 THR A 99 35.771 13.829 5.063 1.00 0.00 H new ATOM 0 HG21 THR A 99 34.405 12.686 3.425 1.00 0.00 H new ATOM 0 HG22 THR A 99 32.936 11.893 4.042 1.00 0.00 H new ATOM 0 HG23 THR A 99 33.031 13.669 3.984 1.00 0.00 H new ATOM 1093 N LYS A 100 31.051 11.653 5.926 1.00 0.00 N ATOM 1094 CA LYS A 100 30.175 10.486 5.829 1.00 0.00 C ATOM 1095 C LYS A 100 29.667 10.316 4.400 1.00 0.00 C ATOM 1096 O LYS A 100 29.364 11.293 3.716 1.00 0.00 O ATOM 1097 CB LYS A 100 28.983 10.653 6.788 1.00 0.00 C ATOM 1098 CG LYS A 100 28.535 9.282 7.325 1.00 0.00 C ATOM 1099 CD LYS A 100 29.369 8.920 8.560 1.00 0.00 C ATOM 1100 CE LYS A 100 29.041 7.498 9.009 1.00 0.00 C ATOM 1101 NZ LYS A 100 29.776 6.528 8.149 1.00 0.00 N1+ ATOM 0 H LYS A 100 30.684 12.497 5.486 1.00 0.00 H new ATOM 0 HA LYS A 100 30.743 9.598 6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 100 29.263 11.303 7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 100 28.155 11.137 6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 100 27.476 9.309 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 100 28.656 8.520 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 100 30.431 9.002 8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 100 29.163 9.622 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 100 29.321 7.360 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 100 27.968 7.321 8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 29.114 6.088 7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 30.522 7.026 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 30.205 5.791 8.745 1.00 0.00 H new ATOM 1115 N GLY A 101 29.573 9.068 3.958 1.00 0.00 N ATOM 1116 CA GLY A 101 29.098 8.785 2.610 1.00 0.00 C ATOM 1117 C GLY A 101 27.678 9.302 2.412 1.00 0.00 C ATOM 1118 O GLY A 101 26.949 9.546 3.373 1.00 0.00 O ATOM 0 H GLY A 101 29.817 8.244 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 101 29.763 9.249 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 101 29.126 7.711 2.429 1.00 0.00 H new ATOM 1122 N ILE A 102 27.300 9.462 1.154 1.00 0.00 N ATOM 1123 CA ILE A 102 25.965 9.945 0.815 1.00 0.00 C ATOM 1124 C ILE A 102 24.916 8.865 1.066 1.00 0.00 C ATOM 1125 O ILE A 102 23.777 9.165 1.426 1.00 0.00 O ATOM 1126 CB ILE A 102 25.910 10.385 -0.647 1.00 0.00 C ATOM 1127 CG1 ILE A 102 24.575 11.085 -0.919 1.00 0.00 C ATOM 1128 CG2 ILE A 102 26.039 9.162 -1.556 1.00 0.00 C ATOM 1129 CD1 ILE A 102 24.618 11.747 -2.296 1.00 0.00 C ATOM 0 H ILE A 102 27.896 9.266 0.350 1.00 0.00 H new ATOM 0 HA ILE A 102 25.747 10.801 1.454 1.00 0.00 H new ATOM 0 HB ILE A 102 26.730 11.074 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 102 23.759 10.364 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 102 24.381 11.833 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 102 26.000 9.478 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 102 26.989 8.664 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 102 25.220 8.471 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 102 23.668 12.245 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 102 25.424 12.480 -2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 102 24.792 10.988 -3.059 1.00 0.00 H new ATOM 1141 N ASN A 103 25.304 7.613 0.855 1.00 0.00 N ATOM 1142 CA ASN A 103 24.385 6.496 1.039 1.00 0.00 C ATOM 1143 C ASN A 103 23.858 6.469 2.470 1.00 0.00 C ATOM 1144 O ASN A 103 22.673 6.228 2.699 1.00 0.00 O ATOM 1145 CB ASN A 103 25.108 5.177 0.735 1.00 0.00 C ATOM 1146 CG ASN A 103 25.224 4.975 -0.773 1.00 0.00 C ATOM 1147 OD1 ASN A 103 26.280 4.574 -1.265 1.00 0.00 O ATOM 1148 ND2 ASN A 103 24.197 5.225 -1.535 1.00 0.00 N ATOM 0 H ASN A 103 26.243 7.346 0.558 1.00 0.00 H new ATOM 0 HA ASN A 103 23.544 6.620 0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 103 26.101 5.186 1.185 1.00 0.00 H new ATOM 0 HB3 ASN A 103 24.563 4.344 1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 103 24.265 5.089 -2.544 1.00 0.00 H new ATOM 0 HD22 ASN A 103 23.325 5.557 -1.123 1.00 0.00 H new ATOM 1155 N GLU A 104 24.742 6.721 3.426 1.00 0.00 N ATOM 1156 CA GLU A 104 24.350 6.724 4.831 1.00 0.00 C ATOM 1157 C GLU A 104 23.668 8.031 5.198 1.00 0.00 C ATOM 1158 O GLU A 104 23.544 8.365 6.376 1.00 0.00 O ATOM 1159 CB GLU A 104 25.577 6.520 5.717 1.00 0.00 C ATOM 1160 CG GLU A 104 26.107 5.099 5.529 1.00 0.00 C ATOM 1161 CD GLU A 104 27.376 4.907 6.347 1.00 0.00 C ATOM 1162 OE1 GLU A 104 27.772 5.848 7.014 1.00 0.00 O ATOM 1163 OE2 GLU A 104 27.934 3.823 6.298 1.00 0.00 O1- ATOM 0 H GLU A 104 25.727 6.924 3.258 1.00 0.00 H new ATOM 0 HA GLU A 104 23.647 5.907 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 104 26.349 7.245 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 104 25.317 6.688 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 104 25.352 4.376 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 104 26.312 4.915 4.474 1.00 0.00 H new ATOM 1170 N PHE A 105 23.227 8.774 4.182 1.00 0.00 N ATOM 1171 CA PHE A 105 22.552 10.057 4.404 1.00 0.00 C ATOM 1172 C PHE A 105 21.183 10.064 3.737 1.00 0.00 C ATOM 1173 O PHE A 105 20.998 9.497 2.661 1.00 0.00 O ATOM 1174 CB PHE A 105 23.424 11.205 3.839 1.00 0.00 C ATOM 1175 CG PHE A 105 23.952 12.061 4.964 1.00 0.00 C ATOM 1176 CD1 PHE A 105 25.070 11.651 5.692 1.00 0.00 C ATOM 1177 CD2 PHE A 105 23.306 13.258 5.285 1.00 0.00 C ATOM 1178 CE1 PHE A 105 25.546 12.443 6.741 1.00 0.00 C ATOM 1179 CE2 PHE A 105 23.781 14.047 6.335 1.00 0.00 C ATOM 1180 CZ PHE A 105 24.901 13.639 7.062 1.00 0.00 C ATOM 0 H PHE A 105 23.324 8.513 3.201 1.00 0.00 H new ATOM 0 HA PHE A 105 22.412 10.202 5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 105 24.254 10.792 3.266 1.00 0.00 H new ATOM 0 HB3 PHE A 105 22.835 11.815 3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 105 25.566 10.724 5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 105 22.440 13.573 4.722 1.00 0.00 H new ATOM 0 HE1 PHE A 105 26.413 12.130 7.303 1.00 0.00 H new ATOM 0 HE2 PHE A 105 23.282 14.972 6.584 1.00 0.00 H new ATOM 0 HZ PHE A 105 25.269 14.249 7.874 1.00 0.00 H new ATOM 1190 N SER A 106 20.227 10.721 4.388 1.00 0.00 N ATOM 1191 CA SER A 106 18.874 10.813 3.856 1.00 0.00 C ATOM 1192 C SER A 106 18.746 12.025 2.941 1.00 0.00 C ATOM 1193 O SER A 106 19.601 12.911 2.940 1.00 0.00 O ATOM 1194 CB SER A 106 17.873 10.928 5.000 1.00 0.00 C ATOM 1195 OG SER A 106 16.557 10.797 4.481 1.00 0.00 O ATOM 0 H SER A 106 20.365 11.195 5.281 1.00 0.00 H new ATOM 0 HA SER A 106 18.664 9.911 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 106 18.062 10.155 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 106 17.985 11.889 5.503 1.00 0.00 H new ATOM 0 HG SER A 106 15.908 10.868 5.212 1.00 0.00 H new ATOM 1201 N LYS A 107 17.669 12.061 2.165 1.00 0.00 N ATOM 1202 CA LYS A 107 17.435 13.174 1.251 1.00 0.00 C ATOM 1203 C LYS A 107 17.164 14.462 2.020 1.00 0.00 C ATOM 1204 O LYS A 107 17.710 15.517 1.699 1.00 0.00 O ATOM 1205 CB LYS A 107 16.245 12.863 0.346 1.00 0.00 C ATOM 1206 CG LYS A 107 16.609 11.716 -0.598 1.00 0.00 C ATOM 1207 CD LYS A 107 15.496 11.527 -1.635 1.00 0.00 C ATOM 1208 CE LYS A 107 14.232 10.988 -0.957 1.00 0.00 C ATOM 1209 NZ LYS A 107 13.312 10.438 -1.991 1.00 0.00 N1+ ATOM 0 H LYS A 107 16.949 11.339 2.149 1.00 0.00 H new ATOM 0 HA LYS A 107 18.331 13.311 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.378 12.592 0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.970 13.748 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.553 11.930 -1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 107 16.751 10.796 -0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 107 15.279 12.476 -2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 107 15.825 10.836 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.494 10.212 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.737 11.784 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.453 10.072 -1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.053 11.190 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.787 9.667 -2.503 1.00 0.00 H new ATOM 1223 N ALA A 108 16.311 14.369 3.038 1.00 0.00 N ATOM 1224 CA ALA A 108 15.969 15.535 3.845 1.00 0.00 C ATOM 1225 C ALA A 108 17.194 16.049 4.592 1.00 0.00 C ATOM 1226 O ALA A 108 17.381 17.256 4.740 1.00 0.00 O ATOM 1227 CB ALA A 108 14.873 15.172 4.848 1.00 0.00 C ATOM 0 H ALA A 108 15.848 13.505 3.321 1.00 0.00 H new ATOM 0 HA ALA A 108 15.608 16.320 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 108 14.623 16.048 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.986 14.834 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 108 15.227 14.375 5.501 1.00 0.00 H new ATOM 1233 N GLN A 109 18.019 15.125 5.066 1.00 0.00 N ATOM 1234 CA GLN A 109 19.221 15.495 5.806 1.00 0.00 C ATOM 1235 C GLN A 109 20.132 16.364 4.939 1.00 0.00 C ATOM 1236 O GLN A 109 20.910 17.165 5.448 1.00 0.00 O ATOM 1237 CB GLN A 109 19.970 14.226 6.253 1.00 0.00 C ATOM 1238 CG GLN A 109 19.427 13.748 7.604 1.00 0.00 C ATOM 1239 CD GLN A 109 17.920 13.542 7.519 1.00 0.00 C ATOM 1240 OE1 GLN A 109 17.179 14.478 7.220 1.00 0.00 O ATOM 1241 NE2 GLN A 109 17.419 12.365 7.771 1.00 0.00 N ATOM 0 H GLN A 109 17.881 14.121 4.953 1.00 0.00 H new ATOM 0 HA GLN A 109 18.930 16.067 6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 109 19.852 13.441 5.506 1.00 0.00 H new ATOM 0 HB3 GLN A 109 21.037 14.432 6.333 1.00 0.00 H new ATOM 0 HG2 GLN A 109 19.914 12.816 7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 109 19.659 14.480 8.378 1.00 0.00 H new ATOM 0 HE21 GLN A 109 18.035 11.591 8.019 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.411 12.218 7.721 1.00 0.00 H new ATOM 1250 N ARG A 110 20.032 16.199 3.631 1.00 0.00 N ATOM 1251 CA ARG A 110 20.849 16.976 2.710 1.00 0.00 C ATOM 1252 C ARG A 110 20.220 18.344 2.463 1.00 0.00 C ATOM 1253 O ARG A 110 20.918 19.322 2.198 1.00 0.00 O ATOM 1254 CB ARG A 110 20.993 16.229 1.384 1.00 0.00 C ATOM 1255 CG ARG A 110 21.935 17.002 0.459 1.00 0.00 C ATOM 1256 CD ARG A 110 22.098 16.240 -0.856 1.00 0.00 C ATOM 1257 NE ARG A 110 23.108 16.885 -1.687 1.00 0.00 N ATOM 1258 CZ ARG A 110 23.391 16.428 -2.902 1.00 0.00 C ATOM 1259 NH1 ARG A 110 22.759 15.386 -3.370 1.00 0.00 N ATOM 1260 NH2 ARG A 110 24.299 17.020 -3.628 1.00 0.00 N1+ ATOM 0 H ARG A 110 19.397 15.538 3.183 1.00 0.00 H new ATOM 0 HA ARG A 110 21.834 17.117 3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 110 21.382 15.226 1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 110 20.017 16.114 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 110 21.537 17.998 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 110 22.905 17.133 0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 110 22.387 15.208 -0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 110 21.146 16.207 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 110 23.605 17.701 -1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 110 22.048 14.923 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 110 22.976 15.035 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 110 24.793 17.835 -3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 110 24.515 16.668 -4.561 1.00 0.00 H new ATOM 1274 N HIS A 111 18.892 18.404 2.541 1.00 0.00 N ATOM 1275 CA HIS A 111 18.181 19.658 2.313 1.00 0.00 C ATOM 1276 C HIS A 111 18.503 20.673 3.406 1.00 0.00 C ATOM 1277 O HIS A 111 18.746 21.846 3.126 1.00 0.00 O ATOM 1278 CB HIS A 111 16.673 19.404 2.284 1.00 0.00 C ATOM 1279 CG HIS A 111 16.317 18.640 1.038 1.00 0.00 C ATOM 1280 ND1 HIS A 111 17.127 18.642 -0.087 1.00 0.00 N ATOM 1281 CD2 HIS A 111 15.242 17.845 0.724 1.00 0.00 C ATOM 1282 CE1 HIS A 111 16.532 17.872 -1.016 1.00 0.00 C ATOM 1283 NE2 HIS A 111 15.379 17.362 -0.573 1.00 0.00 N ATOM 0 H HIS A 111 18.293 17.608 2.758 1.00 0.00 H new ATOM 0 HA HIS A 111 18.504 20.063 1.354 1.00 0.00 H new ATOM 0 HB2 HIS A 111 16.371 18.841 3.167 1.00 0.00 H new ATOM 0 HB3 HIS A 111 16.133 20.351 2.310 1.00 0.00 H new ATOM 0 HD2 HIS A 111 14.415 17.628 1.384 1.00 0.00 H new ATOM 0 HE1 HIS A 111 16.937 17.688 -2.000 1.00 0.00 H new ATOM 0 HE2 HIS A 111 14.737 16.750 -1.078 1.00 0.00 H new ATOM 1291 N VAL A 112 18.502 20.213 4.652 1.00 0.00 N ATOM 1292 CA VAL A 112 18.794 21.091 5.781 1.00 0.00 C ATOM 1293 C VAL A 112 20.164 21.736 5.616 1.00 0.00 C ATOM 1294 O VAL A 112 21.002 21.253 4.855 1.00 0.00 O ATOM 1295 CB VAL A 112 18.753 20.298 7.089 1.00 0.00 C ATOM 1296 CG1 VAL A 112 17.314 19.859 7.380 1.00 0.00 C ATOM 1297 CG2 VAL A 112 19.634 19.056 6.953 1.00 0.00 C ATOM 0 H VAL A 112 18.304 19.245 4.906 1.00 0.00 H new ATOM 0 HA VAL A 112 18.037 21.875 5.811 1.00 0.00 H new ATOM 0 HB VAL A 112 19.116 20.925 7.903 1.00 0.00 H new ATOM 0 HG11 VAL A 112 17.287 19.294 8.312 1.00 0.00 H new ATOM 0 HG12 VAL A 112 16.676 20.739 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.953 19.231 6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 112 19.608 18.488 7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 112 19.264 18.435 6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 112 20.660 19.359 6.742 1.00 0.00 H new ATOM 1307 N LEU A 113 20.382 22.838 6.326 1.00 0.00 N ATOM 1308 CA LEU A 113 21.652 23.551 6.244 1.00 0.00 C ATOM 1309 C LEU A 113 22.693 22.895 7.145 1.00 0.00 C ATOM 1310 O LEU A 113 23.869 23.257 7.107 1.00 0.00 O ATOM 1311 CB LEU A 113 21.457 25.013 6.668 1.00 0.00 C ATOM 1312 CG LEU A 113 20.851 25.805 5.511 1.00 0.00 C ATOM 1313 CD1 LEU A 113 19.537 25.152 5.074 1.00 0.00 C ATOM 1314 CD2 LEU A 113 20.581 27.241 5.967 1.00 0.00 C ATOM 0 H LEU A 113 19.701 23.255 6.961 1.00 0.00 H new ATOM 0 HA LEU A 113 22.004 23.513 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 113 20.804 25.066 7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 113 22.413 25.449 6.959 1.00 0.00 H new ATOM 0 HG LEU A 113 21.546 25.812 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.106 25.718 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 113 19.729 24.129 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 113 18.839 25.143 5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 113 20.148 27.809 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 113 19.885 27.232 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 113 21.517 27.706 6.277 1.00 0.00 H new ATOM 1326 N ASP A 114 22.259 21.927 7.948 1.00 0.00 N ATOM 1327 CA ASP A 114 23.168 21.220 8.853 1.00 0.00 C ATOM 1328 C ASP A 114 23.008 19.715 8.680 1.00 0.00 C ATOM 1329 O ASP A 114 22.338 19.055 9.477 1.00 0.00 O ATOM 1330 CB ASP A 114 22.862 21.606 10.299 1.00 0.00 C ATOM 1331 CG ASP A 114 23.091 23.101 10.489 1.00 0.00 C ATOM 1332 OD1 ASP A 114 22.534 23.869 9.721 1.00 0.00 O ATOM 1333 OD2 ASP A 114 23.822 23.457 11.398 1.00 0.00 O1- ATOM 0 H ASP A 114 21.289 21.614 7.992 1.00 0.00 H new ATOM 0 HA ASP A 114 24.194 21.500 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 114 21.831 21.352 10.543 1.00 0.00 H new ATOM 0 HB3 ASP A 114 23.499 21.041 10.979 1.00 0.00 H new ATOM 1338 N PRO A 115 23.604 19.164 7.654 1.00 0.00 N ATOM 1339 CA PRO A 115 23.524 17.703 7.364 1.00 0.00 C ATOM 1340 C PRO A 115 23.972 16.851 8.544 1.00 0.00 C ATOM 1341 O PRO A 115 24.992 17.127 9.172 1.00 0.00 O ATOM 1342 CB PRO A 115 24.468 17.516 6.160 1.00 0.00 C ATOM 1343 CG PRO A 115 24.575 18.865 5.524 1.00 0.00 C ATOM 1344 CD PRO A 115 24.414 19.877 6.653 1.00 0.00 C ATOM 0 HA PRO A 115 22.501 17.385 7.164 1.00 0.00 H new ATOM 0 HB2 PRO A 115 25.445 17.154 6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 115 24.070 16.782 5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 115 25.537 18.986 5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 115 23.804 19.001 4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 115 25.379 20.178 7.061 1.00 0.00 H new ATOM 0 HD3 PRO A 115 23.917 20.784 6.309 1.00 0.00 H new ATOM 1352 N ARG A 116 23.197 15.811 8.842 1.00 0.00 N ATOM 1353 CA ARG A 116 23.521 14.916 9.952 1.00 0.00 C ATOM 1354 C ARG A 116 23.403 13.456 9.515 1.00 0.00 C ATOM 1355 O ARG A 116 22.450 13.074 8.839 1.00 0.00 O ATOM 1356 CB ARG A 116 22.568 15.179 11.126 1.00 0.00 C ATOM 1357 CG ARG A 116 22.262 16.675 11.214 1.00 0.00 C ATOM 1358 CD ARG A 116 21.440 16.955 12.473 1.00 0.00 C ATOM 1359 NE ARG A 116 21.086 18.369 12.537 1.00 0.00 N ATOM 1360 CZ ARG A 116 21.915 19.266 13.063 1.00 0.00 C ATOM 1361 NH1 ARG A 116 23.074 18.886 13.530 1.00 0.00 N ATOM 1362 NH2 ARG A 116 21.573 20.523 13.110 1.00 0.00 N1+ ATOM 0 H ARG A 116 22.346 15.567 8.335 1.00 0.00 H new ATOM 0 HA ARG A 116 24.547 15.108 10.265 1.00 0.00 H new ATOM 0 HB2 ARG A 116 21.644 14.616 10.991 1.00 0.00 H new ATOM 0 HB3 ARG A 116 23.018 14.834 12.057 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.190 17.246 11.239 1.00 0.00 H new ATOM 0 HG3 ARG A 116 21.713 16.997 10.329 1.00 0.00 H new ATOM 0 HD2 ARG A 116 20.536 16.346 12.469 1.00 0.00 H new ATOM 0 HD3 ARG A 116 22.010 16.674 13.359 1.00 0.00 H new ATOM 0 HE ARG A 116 20.185 18.676 12.171 1.00 0.00 H new ATOM 0 HH11 ARG A 116 23.342 17.903 13.491 1.00 0.00 H new ATOM 0 HH12 ARG A 116 23.711 19.573 13.934 1.00 0.00 H new ATOM 0 HH21 ARG A 116 20.669 20.820 12.743 1.00 0.00 H new ATOM 0 HH22 ARG A 116 22.210 21.210 13.514 1.00 0.00 H new ATOM 1376 N CYS A 117 24.373 12.645 9.923 1.00 0.00 N ATOM 1377 CA CYS A 117 24.363 11.228 9.589 1.00 0.00 C ATOM 1378 C CYS A 117 23.217 10.516 10.309 1.00 0.00 C ATOM 1379 O CYS A 117 22.791 10.927 11.389 1.00 0.00 O ATOM 1380 CB CYS A 117 25.704 10.580 9.990 1.00 0.00 C ATOM 1381 SG CYS A 117 27.017 11.820 9.932 1.00 0.00 S ATOM 0 H CYS A 117 25.172 12.944 10.483 1.00 0.00 H new ATOM 0 HA CYS A 117 24.221 11.130 8.513 1.00 0.00 H new ATOM 0 HB2 CYS A 117 25.631 10.160 10.993 1.00 0.00 H new ATOM 0 HB3 CYS A 117 25.938 9.756 9.315 1.00 0.00 H new ATOM 1386 N GLN A 118 22.727 9.448 9.697 1.00 0.00 N ATOM 1387 CA GLN A 118 21.638 8.677 10.281 1.00 0.00 C ATOM 1388 C GLN A 118 21.990 8.243 11.699 1.00 0.00 C ATOM 1389 O GLN A 118 21.149 7.713 12.424 1.00 0.00 O ATOM 1390 CB GLN A 118 21.339 7.449 9.427 1.00 0.00 C ATOM 1391 CG GLN A 118 20.775 7.901 8.081 1.00 0.00 C ATOM 1392 CD GLN A 118 20.560 6.695 7.181 1.00 0.00 C ATOM 1393 OE1 GLN A 118 21.175 5.648 7.385 1.00 0.00 O ATOM 1394 NE2 GLN A 118 19.727 6.780 6.183 1.00 0.00 N ATOM 0 H GLN A 118 23.064 9.096 8.801 1.00 0.00 H new ATOM 0 HA GLN A 118 20.752 9.311 10.315 1.00 0.00 H new ATOM 0 HB2 GLN A 118 22.247 6.865 9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 118 20.624 6.802 9.936 1.00 0.00 H new ATOM 0 HG2 GLN A 118 19.832 8.428 8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 118 21.461 8.603 7.606 1.00 0.00 H new ATOM 0 HE21 GLN A 118 19.218 7.648 6.016 1.00 0.00 H new ATOM 0 HE22 GLN A 118 19.583 5.978 5.569 1.00 0.00 H new ATOM 1403 N ILE A 119 23.247 8.455 12.089 1.00 0.00 N ATOM 1404 CA ILE A 119 23.707 8.067 13.423 1.00 0.00 C ATOM 1405 C ILE A 119 23.476 9.185 14.440 1.00 0.00 C ATOM 1406 O ILE A 119 22.949 8.948 15.525 1.00 0.00 O ATOM 1407 CB ILE A 119 25.202 7.734 13.371 1.00 0.00 C ATOM 1408 CG1 ILE A 119 25.404 6.440 12.575 1.00 0.00 C ATOM 1409 CG2 ILE A 119 25.741 7.547 14.793 1.00 0.00 C ATOM 1410 CD1 ILE A 119 24.948 6.632 11.122 1.00 0.00 C ATOM 0 H ILE A 119 23.961 8.890 11.505 1.00 0.00 H new ATOM 0 HA ILE A 119 23.135 7.194 13.737 1.00 0.00 H new ATOM 0 HB ILE A 119 25.738 8.551 12.888 1.00 0.00 H new ATOM 0 HG12 ILE A 119 26.455 6.151 12.598 1.00 0.00 H new ATOM 0 HG13 ILE A 119 24.840 5.629 13.036 1.00 0.00 H new ATOM 0 HG21 ILE A 119 26.804 7.310 14.751 1.00 0.00 H new ATOM 0 HG22 ILE A 119 25.596 8.466 15.361 1.00 0.00 H new ATOM 0 HG23 ILE A 119 25.207 6.731 15.280 1.00 0.00 H new ATOM 0 HD11 ILE A 119 25.097 5.705 10.568 1.00 0.00 H new ATOM 0 HD12 ILE A 119 23.891 6.899 11.105 1.00 0.00 H new ATOM 0 HD13 ILE A 119 25.531 7.429 10.660 1.00 0.00 H new ATOM 1422 N CYS A 120 23.891 10.395 14.088 1.00 0.00 N ATOM 1423 CA CYS A 120 23.744 11.536 14.989 1.00 0.00 C ATOM 1424 C CYS A 120 22.269 11.845 15.237 1.00 0.00 C ATOM 1425 O CYS A 120 21.904 12.355 16.295 1.00 0.00 O ATOM 1426 CB CYS A 120 24.453 12.775 14.396 1.00 0.00 C ATOM 1427 SG CYS A 120 24.471 12.648 12.597 1.00 0.00 S ATOM 0 H CYS A 120 24.329 10.613 13.193 1.00 0.00 H new ATOM 0 HA CYS A 120 24.207 11.282 15.943 1.00 0.00 H new ATOM 0 HB2 CYS A 120 23.937 13.685 14.703 1.00 0.00 H new ATOM 0 HB3 CYS A 120 25.472 12.842 14.777 1.00 0.00 H new ATOM 1432 N VAL A 121 21.428 11.528 14.261 1.00 0.00 N ATOM 1433 CA VAL A 121 19.997 11.779 14.389 1.00 0.00 C ATOM 1434 C VAL A 121 19.329 10.680 15.210 1.00 0.00 C ATOM 1435 O VAL A 121 18.333 10.921 15.894 1.00 0.00 O ATOM 1436 CB VAL A 121 19.355 11.859 13.003 1.00 0.00 C ATOM 1437 CG1 VAL A 121 20.159 12.815 12.119 1.00 0.00 C ATOM 1438 CG2 VAL A 121 19.340 10.470 12.364 1.00 0.00 C ATOM 0 H VAL A 121 21.708 11.100 13.379 1.00 0.00 H new ATOM 0 HA VAL A 121 19.857 12.729 14.905 1.00 0.00 H new ATOM 0 HB VAL A 121 18.333 12.226 13.101 1.00 0.00 H new ATOM 0 HG11 VAL A 121 19.700 12.871 11.132 1.00 0.00 H new ATOM 0 HG12 VAL A 121 20.169 13.807 12.571 1.00 0.00 H new ATOM 0 HG13 VAL A 121 21.181 12.449 12.024 1.00 0.00 H new ATOM 0 HG21 VAL A 121 18.882 10.529 11.377 1.00 0.00 H new ATOM 0 HG22 VAL A 121 20.362 10.102 12.269 1.00 0.00 H new ATOM 0 HG23 VAL A 121 18.765 9.788 12.990 1.00 0.00 H new ATOM 1448 N HIS A 122 19.879 9.473 15.129 1.00 0.00 N ATOM 1449 CA HIS A 122 19.324 8.341 15.859 1.00 0.00 C ATOM 1450 C HIS A 122 19.613 8.476 17.349 1.00 0.00 C ATOM 1451 O HIS A 122 19.166 7.659 18.154 1.00 0.00 O ATOM 1452 CB HIS A 122 19.927 7.032 15.333 1.00 0.00 C ATOM 1453 CG HIS A 122 19.459 5.884 16.186 1.00 0.00 C ATOM 1454 ND1 HIS A 122 18.176 5.366 16.092 1.00 0.00 N ATOM 1455 CD2 HIS A 122 20.089 5.147 17.159 1.00 0.00 C ATOM 1456 CE1 HIS A 122 18.076 4.365 16.985 1.00 0.00 C ATOM 1457 NE2 HIS A 122 19.213 4.188 17.662 1.00 0.00 N ATOM 0 H HIS A 122 20.703 9.255 14.569 1.00 0.00 H new ATOM 0 HA HIS A 122 18.244 8.327 15.709 1.00 0.00 H new ATOM 0 HB2 HIS A 122 19.630 6.873 14.296 1.00 0.00 H new ATOM 0 HB3 HIS A 122 21.015 7.089 15.347 1.00 0.00 H new ATOM 0 HD2 HIS A 122 21.109 5.290 17.485 1.00 0.00 H new ATOM 0 HE1 HIS A 122 17.184 3.776 17.136 1.00 0.00 H new ATOM 0 HE2 HIS A 122 19.400 3.499 18.391 1.00 0.00 H new ATOM 1465 N SER A 123 20.365 9.510 17.710 1.00 0.00 N ATOM 1466 CA SER A 123 20.709 9.741 19.109 1.00 0.00 C ATOM 1467 C SER A 123 19.593 10.492 19.822 1.00 0.00 C ATOM 1468 O SER A 123 18.942 9.956 20.719 1.00 0.00 O ATOM 1469 CB SER A 123 22.005 10.543 19.201 1.00 0.00 C ATOM 1470 OG SER A 123 22.427 10.600 20.557 1.00 0.00 O ATOM 0 H SER A 123 20.746 10.197 17.059 1.00 0.00 H new ATOM 0 HA SER A 123 20.844 8.774 19.593 1.00 0.00 H new ATOM 0 HB2 SER A 123 22.777 10.080 18.587 1.00 0.00 H new ATOM 0 HB3 SER A 123 21.851 11.550 18.813 1.00 0.00 H new ATOM 0 HG SER A 123 23.260 11.113 20.619 1.00 0.00 H new ATOM 1476 N GLN A 124 19.376 11.741 19.419 1.00 0.00 N ATOM 1477 CA GLN A 124 18.336 12.568 20.025 1.00 0.00 C ATOM 1478 C GLN A 124 17.639 13.406 18.969 1.00 0.00 C ATOM 1479 O GLN A 124 17.312 14.570 19.210 1.00 0.00 O ATOM 1480 CB GLN A 124 18.945 13.491 21.081 1.00 0.00 C ATOM 1481 CG GLN A 124 19.386 12.661 22.286 1.00 0.00 C ATOM 1482 CD GLN A 124 20.054 13.561 23.319 1.00 0.00 C ATOM 1483 OE1 GLN A 124 20.262 13.149 24.460 1.00 0.00 O ATOM 1484 NE2 GLN A 124 20.407 14.773 22.985 1.00 0.00 N ATOM 0 H GLN A 124 19.904 12.202 18.678 1.00 0.00 H new ATOM 0 HA GLN A 124 17.607 11.908 20.495 1.00 0.00 H new ATOM 0 HB2 GLN A 124 19.797 14.027 20.663 1.00 0.00 H new ATOM 0 HB3 GLN A 124 18.216 14.241 21.389 1.00 0.00 H new ATOM 0 HG2 GLN A 124 18.525 12.161 22.729 1.00 0.00 H new ATOM 0 HG3 GLN A 124 20.078 11.881 21.968 1.00 0.00 H new ATOM 0 HE21 GLN A 124 20.234 15.112 22.039 1.00 0.00 H new ATOM 0 HE22 GLN A 124 20.856 15.380 23.670 1.00 0.00 H new ATOM 1493 N ARG A 125 17.405 12.811 17.798 1.00 0.00 N ATOM 1494 CA ARG A 125 16.733 13.512 16.701 1.00 0.00 C ATOM 1495 C ARG A 125 17.154 14.982 16.659 1.00 0.00 C ATOM 1496 O ARG A 125 18.220 15.345 17.155 1.00 0.00 O ATOM 1497 CB ARG A 125 15.207 13.414 16.869 1.00 0.00 C ATOM 1498 CG ARG A 125 14.773 14.061 18.194 1.00 0.00 C ATOM 1499 CD ARG A 125 13.255 14.146 18.251 1.00 0.00 C ATOM 1500 NE ARG A 125 12.768 15.060 17.229 1.00 0.00 N ATOM 1501 CZ ARG A 125 11.469 15.277 17.073 1.00 0.00 C ATOM 1502 NH1 ARG A 125 10.609 14.670 17.844 1.00 0.00 N ATOM 1503 NH2 ARG A 125 11.051 16.098 16.149 1.00 0.00 N1+ ATOM 0 H ARG A 125 17.669 11.849 17.585 1.00 0.00 H new ATOM 0 HA ARG A 125 17.024 13.039 15.763 1.00 0.00 H new ATOM 0 HB2 ARG A 125 14.710 13.909 16.035 1.00 0.00 H new ATOM 0 HB3 ARG A 125 14.899 12.369 16.849 1.00 0.00 H new ATOM 0 HG2 ARG A 125 15.146 13.476 19.035 1.00 0.00 H new ATOM 0 HG3 ARG A 125 15.206 15.057 18.282 1.00 0.00 H new ATOM 0 HD2 ARG A 125 12.822 13.157 18.102 1.00 0.00 H new ATOM 0 HD3 ARG A 125 12.939 14.488 19.237 1.00 0.00 H new ATOM 0 HE ARG A 125 13.435 15.540 16.624 1.00 0.00 H new ATOM 0 HH11 ARG A 125 10.936 14.029 18.567 1.00 0.00 H new ATOM 0 HH12 ARG A 125 9.610 14.837 17.724 1.00 0.00 H new ATOM 0 HH21 ARG A 125 11.723 16.573 15.547 1.00 0.00 H new ATOM 0 HH22 ARG A 125 10.052 16.265 16.029 1.00 0.00 H new ATOM 1517 N ASN A 126 16.305 15.823 16.081 1.00 0.00 N ATOM 1518 CA ASN A 126 16.595 17.248 16.000 1.00 0.00 C ATOM 1519 C ASN A 126 16.634 17.863 17.397 1.00 0.00 C ATOM 1520 O ASN A 126 17.649 17.716 18.060 1.00 0.00 O ATOM 1521 CB ASN A 126 15.522 17.946 15.165 1.00 0.00 C ATOM 1522 CG ASN A 126 15.635 17.512 13.708 1.00 0.00 C ATOM 1523 OD1 ASN A 126 16.707 17.101 13.263 1.00 0.00 O ATOM 1524 ND2 ASN A 126 14.585 17.568 12.938 1.00 0.00 N ATOM 1525 OXT ASN A 126 15.650 18.470 17.783 1.00 0.00 O ATOM 0 H ASN A 126 15.416 15.545 15.664 1.00 0.00 H new ATOM 0 HA ASN A 126 17.569 17.380 15.528 1.00 0.00 H new ATOM 0 HB2 ASN A 126 14.532 17.701 15.551 1.00 0.00 H new ATOM 0 HB3 ASN A 126 15.636 19.027 15.241 1.00 0.00 H new ATOM 0 HD21 ASN A 126 14.650 17.271 11.964 1.00 0.00 H new ATOM 0 HD22 ASN A 126 13.698 17.909 13.309 1.00 0.00 H new TER 1532 ASN A 126 HETATM 1533 ZN ZN A 300 19.866 8.546 -13.799 1.00 0.00 ZN HETATM 1534 ZN ZN A 301 26.652 12.927 11.908 1.00 0.00 ZN