USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 162:sc= 0.094 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 13 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -9.16! C(o=-9!,f=-11!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 26 HIS : no HD1:sc= -0.669 K(o=-0.67,f=-0.17) USER MOD Single : A 27 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-6.1!) USER MOD Single : A 49 GLN : amide:sc= -4.84 K(o=-4.8,f=-6.7!) USER MOD Single : A 55 THR OG1 : rot 46:sc= 1.35 USER MOD Single : A 57 ASN : amide:sc= -0.933 K(o=-0.93,f=-3.6!) USER MOD Single : A 63 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 65:sc= 0.116 USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.156) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0543 USER MOD Single : A 74 TYR OH : rot 133:sc= -0.496 USER MOD Single : A 80 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-4.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= -0.132 (180deg=-1.16) USER MOD Single : A 89 LYS NZ :NH3+ -150:sc= 1.24 (180deg=0.783) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -13.312 -1.060 15.057 1.00 0.00 N ATOM 2 CA ASP A 1 -12.114 -0.673 14.259 1.00 0.00 C ATOM 3 C ASP A 1 -10.835 -1.118 14.976 1.00 0.00 C ATOM 4 O ASP A 1 -10.044 -1.865 14.438 1.00 0.00 O ATOM 5 CB ASP A 1 -12.174 0.852 14.167 1.00 0.00 C ATOM 6 CG ASP A 1 -11.382 1.322 12.947 1.00 0.00 C ATOM 7 OD1 ASP A 1 -11.711 0.897 11.851 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.459 2.100 13.127 1.00 0.00 O ATOM 0 H1 ASP A 1 -14.173 -0.753 14.561 1.00 0.00 H new ATOM 0 H2 ASP A 1 -13.331 -2.093 15.177 1.00 0.00 H new ATOM 0 H3 ASP A 1 -13.269 -0.604 15.991 1.00 0.00 H new ATOM 0 HA ASP A 1 -12.105 -1.140 13.274 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -13.210 1.182 14.090 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -11.764 1.298 15.073 1.00 0.00 H new ATOM 13 N LYS A 2 -10.654 -0.689 16.203 1.00 0.00 N ATOM 14 CA LYS A 2 -9.454 -1.105 17.001 1.00 0.00 C ATOM 15 C LYS A 2 -8.152 -0.766 16.252 1.00 0.00 C ATOM 16 O LYS A 2 -7.595 0.302 16.433 1.00 0.00 O ATOM 17 CB LYS A 2 -9.602 -2.617 17.220 1.00 0.00 C ATOM 18 CG LYS A 2 -10.807 -2.887 18.123 1.00 0.00 C ATOM 19 CD LYS A 2 -10.939 -4.392 18.361 1.00 0.00 C ATOM 20 CE LYS A 2 -11.719 -5.027 17.208 1.00 0.00 C ATOM 21 NZ LYS A 2 -12.242 -6.308 17.755 1.00 0.00 N ATOM 0 H LYS A 2 -11.293 -0.062 16.691 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.399 -0.575 17.952 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.731 -3.123 16.263 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.697 -3.020 17.674 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.686 -2.367 19.073 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.715 -2.500 17.661 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.951 -4.846 18.439 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.451 -4.578 19.305 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.530 -4.379 16.877 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.076 -5.200 16.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.789 -6.801 17.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.447 -6.907 18.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.856 -6.112 18.571 1.00 0.00 H new ATOM 35 N ASP A 3 -7.680 -1.639 15.391 1.00 0.00 N ATOM 36 CA ASP A 3 -6.443 -1.336 14.611 1.00 0.00 C ATOM 37 C ASP A 3 -6.804 -0.968 13.169 1.00 0.00 C ATOM 38 O ASP A 3 -7.854 -1.328 12.676 1.00 0.00 O ATOM 39 CB ASP A 3 -5.625 -2.628 14.647 1.00 0.00 C ATOM 40 CG ASP A 3 -5.242 -2.949 16.092 1.00 0.00 C ATOM 41 OD1 ASP A 3 -4.315 -2.332 16.590 1.00 0.00 O ATOM 42 OD2 ASP A 3 -5.883 -3.808 16.677 1.00 0.00 O ATOM 0 H ASP A 3 -8.101 -2.548 15.197 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.890 -0.493 15.025 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.203 -3.449 14.222 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.728 -2.520 14.037 1.00 0.00 H new ATOM 47 N VAL A 4 -5.916 -0.288 12.482 1.00 0.00 N ATOM 48 CA VAL A 4 -6.159 0.084 11.048 1.00 0.00 C ATOM 49 C VAL A 4 -7.459 0.889 10.908 1.00 0.00 C ATOM 50 O VAL A 4 -8.287 0.919 11.799 1.00 0.00 O ATOM 51 CB VAL A 4 -6.247 -1.246 10.279 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.516 -0.977 8.797 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.923 -1.999 10.416 1.00 0.00 C ATOM 0 H VAL A 4 -5.022 0.029 12.857 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.362 0.716 10.657 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.061 -1.842 10.692 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.577 -1.924 8.261 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.458 -0.438 8.690 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.706 -0.377 8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.983 -2.942 9.872 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.116 -1.393 10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.726 -2.200 11.469 1.00 0.00 H new ATOM 63 N LYS A 5 -7.652 1.515 9.776 1.00 0.00 N ATOM 64 CA LYS A 5 -8.906 2.287 9.537 1.00 0.00 C ATOM 65 C LYS A 5 -9.416 2.019 8.117 1.00 0.00 C ATOM 66 O LYS A 5 -9.098 1.005 7.522 1.00 0.00 O ATOM 67 CB LYS A 5 -8.504 3.755 9.703 1.00 0.00 C ATOM 68 CG LYS A 5 -9.617 4.512 10.429 1.00 0.00 C ATOM 69 CD LYS A 5 -9.336 6.014 10.368 1.00 0.00 C ATOM 70 CE LYS A 5 -10.659 6.780 10.304 1.00 0.00 C ATOM 71 NZ LYS A 5 -10.300 8.195 10.599 1.00 0.00 N ATOM 0 H LYS A 5 -6.989 1.524 9.001 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.708 2.010 10.222 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.574 3.826 10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.321 4.205 8.727 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.581 4.293 9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.677 4.184 11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.767 6.324 11.244 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.727 6.245 9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.122 6.687 9.322 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.374 6.394 11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.157 8.783 10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.868 8.254 11.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.624 8.537 9.887 1.00 0.00 H new ATOM 85 N TYR A 6 -10.157 2.938 7.551 1.00 0.00 N ATOM 86 CA TYR A 6 -10.633 2.760 6.148 1.00 0.00 C ATOM 87 C TYR A 6 -10.491 4.070 5.370 1.00 0.00 C ATOM 88 O TYR A 6 -11.456 4.777 5.145 1.00 0.00 O ATOM 89 CB TYR A 6 -12.103 2.360 6.274 1.00 0.00 C ATOM 90 CG TYR A 6 -12.194 0.873 6.517 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.809 -0.025 5.514 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.660 0.391 7.746 1.00 0.00 C ATOM 93 CE1 TYR A 6 -11.889 -1.405 5.741 1.00 0.00 C ATOM 94 CE2 TYR A 6 -12.740 -0.987 7.973 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.355 -1.885 6.971 1.00 0.00 C ATOM 96 OH TYR A 6 -12.434 -3.245 7.194 1.00 0.00 O ATOM 0 H TYR A 6 -10.452 3.804 8.001 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.055 2.010 5.608 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.571 2.904 7.094 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.644 2.626 5.366 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.450 0.346 4.565 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -12.958 1.084 8.519 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.592 -2.098 4.968 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.099 -1.358 8.922 1.00 0.00 H new ATOM 0 HH TYR A 6 -12.776 -3.409 8.098 1.00 0.00 H new ATOM 106 N TYR A 7 -9.300 4.370 4.918 1.00 0.00 N ATOM 107 CA TYR A 7 -9.090 5.607 4.105 1.00 0.00 C ATOM 108 C TYR A 7 -9.919 5.535 2.818 1.00 0.00 C ATOM 109 O TYR A 7 -10.793 4.699 2.683 1.00 0.00 O ATOM 110 CB TYR A 7 -7.594 5.629 3.781 1.00 0.00 C ATOM 111 CG TYR A 7 -6.803 5.771 5.061 1.00 0.00 C ATOM 112 CD1 TYR A 7 -7.059 6.842 5.927 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.813 4.834 5.382 1.00 0.00 C ATOM 114 CE1 TYR A 7 -6.326 6.975 7.111 1.00 0.00 C ATOM 115 CE2 TYR A 7 -5.080 4.969 6.567 1.00 0.00 C ATOM 116 CZ TYR A 7 -5.336 6.040 7.432 1.00 0.00 C ATOM 117 OH TYR A 7 -4.614 6.172 8.600 1.00 0.00 O ATOM 0 H TYR A 7 -8.462 3.811 5.077 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.400 6.507 4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.309 4.712 3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.369 6.457 3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.822 7.565 5.680 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.615 4.008 4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.525 7.801 7.778 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.316 4.246 6.814 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.185 5.318 8.818 1.00 0.00 H new ATOM 127 N THR A 8 -9.636 6.389 1.867 1.00 0.00 N ATOM 128 CA THR A 8 -10.386 6.354 0.576 1.00 0.00 C ATOM 129 C THR A 8 -9.425 6.135 -0.595 1.00 0.00 C ATOM 130 O THR A 8 -8.220 6.181 -0.437 1.00 0.00 O ATOM 131 CB THR A 8 -11.055 7.726 0.470 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.064 8.741 0.543 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.052 7.899 1.618 1.00 0.00 C ATOM 0 H THR A 8 -8.917 7.110 1.930 1.00 0.00 H new ATOM 0 HA THR A 8 -11.111 5.541 0.544 1.00 0.00 H new ATOM 0 HB THR A 8 -11.583 7.801 -0.481 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.491 9.620 0.474 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.528 8.876 1.542 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.812 7.120 1.561 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.527 7.824 2.570 1.00 0.00 H new ATOM 141 N LEU A 9 -9.956 5.929 -1.774 1.00 0.00 N ATOM 142 CA LEU A 9 -9.085 5.746 -2.973 1.00 0.00 C ATOM 143 C LEU A 9 -8.562 7.101 -3.458 1.00 0.00 C ATOM 144 O LEU A 9 -7.466 7.203 -3.975 1.00 0.00 O ATOM 145 CB LEU A 9 -9.993 5.106 -4.031 1.00 0.00 C ATOM 146 CG LEU A 9 -9.267 3.934 -4.697 1.00 0.00 C ATOM 147 CD1 LEU A 9 -9.028 2.823 -3.669 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.124 3.393 -5.845 1.00 0.00 C ATOM 0 H LEU A 9 -10.958 5.880 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.213 5.128 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.917 4.758 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.271 5.847 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.308 4.276 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.511 1.991 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.418 3.208 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.985 2.479 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.609 2.558 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.083 3.053 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.290 4.182 -6.578 1.00 0.00 H new ATOM 160 N GLU A 10 -9.327 8.145 -3.262 1.00 0.00 N ATOM 161 CA GLU A 10 -8.866 9.507 -3.673 1.00 0.00 C ATOM 162 C GLU A 10 -7.725 9.975 -2.766 1.00 0.00 C ATOM 163 O GLU A 10 -6.851 10.711 -3.185 1.00 0.00 O ATOM 164 CB GLU A 10 -10.088 10.413 -3.509 1.00 0.00 C ATOM 165 CG GLU A 10 -11.158 10.019 -4.528 1.00 0.00 C ATOM 166 CD GLU A 10 -10.683 10.387 -5.936 1.00 0.00 C ATOM 167 OE1 GLU A 10 -10.473 11.564 -6.179 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.536 9.486 -6.744 1.00 0.00 O ATOM 0 H GLU A 10 -10.253 8.113 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.487 9.521 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.485 10.326 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.802 11.455 -3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.356 8.949 -4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.094 10.530 -4.304 1.00 0.00 H new ATOM 175 N GLU A 11 -7.708 9.521 -1.538 1.00 0.00 N ATOM 176 CA GLU A 11 -6.601 9.900 -0.609 1.00 0.00 C ATOM 177 C GLU A 11 -5.366 9.037 -0.878 1.00 0.00 C ATOM 178 O GLU A 11 -4.245 9.466 -0.681 1.00 0.00 O ATOM 179 CB GLU A 11 -7.150 9.630 0.793 1.00 0.00 C ATOM 180 CG GLU A 11 -6.230 10.271 1.834 1.00 0.00 C ATOM 181 CD GLU A 11 -6.950 10.337 3.181 1.00 0.00 C ATOM 182 OE1 GLU A 11 -8.124 10.669 3.186 1.00 0.00 O ATOM 183 OE2 GLU A 11 -6.316 10.055 4.184 1.00 0.00 O ATOM 0 H GLU A 11 -8.414 8.903 -1.139 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.295 10.939 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.158 10.035 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.221 8.556 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.312 9.692 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.943 11.273 1.514 1.00 0.00 H new ATOM 190 N ILE A 12 -5.565 7.836 -1.361 1.00 0.00 N ATOM 191 CA ILE A 12 -4.404 6.951 -1.686 1.00 0.00 C ATOM 192 C ILE A 12 -3.969 7.170 -3.139 1.00 0.00 C ATOM 193 O ILE A 12 -2.804 7.049 -3.470 1.00 0.00 O ATOM 194 CB ILE A 12 -4.922 5.522 -1.485 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.383 5.341 -0.034 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.803 4.521 -1.785 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.228 4.072 0.079 1.00 0.00 C ATOM 0 H ILE A 12 -6.482 7.430 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.536 7.157 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.760 5.347 -2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.519 5.275 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.964 6.207 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.174 3.506 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.472 4.644 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.965 4.700 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.556 3.944 1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.099 4.156 -0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.632 3.210 -0.222 1.00 0.00 H new ATOM 209 N GLN A 13 -4.892 7.525 -3.997 1.00 0.00 N ATOM 210 CA GLN A 13 -4.536 7.795 -5.422 1.00 0.00 C ATOM 211 C GLN A 13 -4.183 9.274 -5.611 1.00 0.00 C ATOM 212 O GLN A 13 -4.648 9.917 -6.533 1.00 0.00 O ATOM 213 CB GLN A 13 -5.791 7.439 -6.222 1.00 0.00 C ATOM 214 CG GLN A 13 -6.121 5.957 -6.030 1.00 0.00 C ATOM 215 CD GLN A 13 -5.441 5.135 -7.127 1.00 0.00 C ATOM 216 OE1 GLN A 13 -5.158 5.641 -8.195 1.00 0.00 O ATOM 217 NE2 GLN A 13 -5.167 3.878 -6.907 1.00 0.00 N ATOM 0 H GLN A 13 -5.880 7.640 -3.770 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.670 7.218 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.629 8.054 -5.895 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.633 7.652 -7.279 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.784 5.623 -5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.200 5.807 -6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.405 3.454 -6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.715 3.320 -7.632 1.00 0.00 H new ATOM 226 N LYS A 14 -3.334 9.803 -4.767 1.00 0.00 N ATOM 227 CA LYS A 14 -2.911 11.229 -4.916 1.00 0.00 C ATOM 228 C LYS A 14 -1.530 11.441 -4.288 1.00 0.00 C ATOM 229 O LYS A 14 -1.199 12.527 -3.849 1.00 0.00 O ATOM 230 CB LYS A 14 -3.977 12.046 -4.175 1.00 0.00 C ATOM 231 CG LYS A 14 -4.052 11.607 -2.708 1.00 0.00 C ATOM 232 CD LYS A 14 -4.838 12.643 -1.903 1.00 0.00 C ATOM 233 CE LYS A 14 -4.407 12.587 -0.437 1.00 0.00 C ATOM 234 NZ LYS A 14 -5.242 13.612 0.250 1.00 0.00 N ATOM 0 H LYS A 14 -2.915 9.308 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.831 11.527 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.738 13.108 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.947 11.911 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.534 10.632 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.048 11.499 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.663 13.641 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.907 12.448 -1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.572 11.596 -0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.345 12.806 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.003 13.633 1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.059 14.546 -0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.248 13.373 0.137 1.00 0.00 H new ATOM 248 N HIS A 15 -0.710 10.421 -4.280 1.00 0.00 N ATOM 249 CA HIS A 15 0.669 10.564 -3.725 1.00 0.00 C ATOM 250 C HIS A 15 1.709 10.261 -4.807 1.00 0.00 C ATOM 251 O HIS A 15 2.803 9.814 -4.519 1.00 0.00 O ATOM 252 CB HIS A 15 0.751 9.535 -2.598 1.00 0.00 C ATOM 253 CG HIS A 15 -0.158 9.947 -1.474 1.00 0.00 C ATOM 254 ND1 HIS A 15 0.314 10.580 -0.335 1.00 0.00 N ATOM 255 CD2 HIS A 15 -1.515 9.825 -1.299 1.00 0.00 C ATOM 256 CE1 HIS A 15 -0.741 10.812 0.468 1.00 0.00 C ATOM 257 NE2 HIS A 15 -1.881 10.372 -0.073 1.00 0.00 N ATOM 0 H HIS A 15 -0.938 9.492 -4.635 1.00 0.00 H new ATOM 0 HA HIS A 15 0.868 11.575 -3.369 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.465 8.551 -2.969 1.00 0.00 H new ATOM 0 HB3 HIS A 15 1.777 9.455 -2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.195 9.373 -2.006 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.674 11.295 1.432 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.818 10.426 0.327 1.00 0.00 H new ATOM 266 N LYS A 16 1.387 10.540 -6.045 1.00 0.00 N ATOM 267 CA LYS A 16 2.368 10.315 -7.149 1.00 0.00 C ATOM 268 C LYS A 16 3.133 11.607 -7.447 1.00 0.00 C ATOM 269 O LYS A 16 3.378 11.943 -8.591 1.00 0.00 O ATOM 270 CB LYS A 16 1.519 9.904 -8.353 1.00 0.00 C ATOM 271 CG LYS A 16 0.833 8.567 -8.062 1.00 0.00 C ATOM 272 CD LYS A 16 0.354 7.943 -9.373 1.00 0.00 C ATOM 273 CE LYS A 16 1.427 6.993 -9.910 1.00 0.00 C ATOM 274 NZ LYS A 16 0.670 5.862 -10.516 1.00 0.00 N ATOM 0 H LYS A 16 0.485 10.915 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 16 3.110 9.558 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.772 10.670 -8.563 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.146 9.818 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.526 7.893 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.011 8.718 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.578 7.401 -9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.146 8.724 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.058 7.487 -10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.083 6.646 -9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.338 5.167 -10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.084 5.407 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.059 6.221 -11.277 1.00 0.00 H new ATOM 288 N ASP A 17 3.544 12.311 -6.423 1.00 0.00 N ATOM 289 CA ASP A 17 4.334 13.561 -6.634 1.00 0.00 C ATOM 290 C ASP A 17 4.945 14.029 -5.311 1.00 0.00 C ATOM 291 O ASP A 17 6.096 14.422 -5.254 1.00 0.00 O ATOM 292 CB ASP A 17 3.324 14.586 -7.150 1.00 0.00 C ATOM 293 CG ASP A 17 3.994 15.485 -8.191 1.00 0.00 C ATOM 294 OD1 ASP A 17 4.480 14.956 -9.176 1.00 0.00 O ATOM 295 OD2 ASP A 17 4.010 16.687 -7.985 1.00 0.00 O ATOM 0 H ASP A 17 3.366 12.073 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 17 5.159 13.415 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.467 14.077 -7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.946 15.188 -6.323 1.00 0.00 H new ATOM 300 N SER A 18 4.196 13.947 -4.240 1.00 0.00 N ATOM 301 CA SER A 18 4.742 14.343 -2.905 1.00 0.00 C ATOM 302 C SER A 18 5.913 13.431 -2.524 1.00 0.00 C ATOM 303 O SER A 18 6.499 12.777 -3.367 1.00 0.00 O ATOM 304 CB SER A 18 3.582 14.162 -1.925 1.00 0.00 C ATOM 305 OG SER A 18 3.298 12.777 -1.783 1.00 0.00 O ATOM 0 H SER A 18 3.229 13.623 -4.232 1.00 0.00 H new ATOM 0 HA SER A 18 5.118 15.366 -2.902 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.838 14.593 -0.957 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.700 14.691 -2.286 1.00 0.00 H new ATOM 0 HG SER A 18 2.556 12.658 -1.154 1.00 0.00 H new ATOM 311 N LYS A 19 6.231 13.360 -1.256 1.00 0.00 N ATOM 312 CA LYS A 19 7.335 12.460 -0.806 1.00 0.00 C ATOM 313 C LYS A 19 6.761 11.209 -0.135 1.00 0.00 C ATOM 314 O LYS A 19 7.347 10.145 -0.184 1.00 0.00 O ATOM 315 CB LYS A 19 8.135 13.289 0.200 1.00 0.00 C ATOM 316 CG LYS A 19 9.389 12.517 0.616 1.00 0.00 C ATOM 317 CD LYS A 19 10.481 12.710 -0.438 1.00 0.00 C ATOM 318 CE LYS A 19 11.833 12.290 0.143 1.00 0.00 C ATOM 319 NZ LYS A 19 12.843 13.037 -0.656 1.00 0.00 N ATOM 0 H LYS A 19 5.773 13.887 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 19 7.952 12.118 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.414 14.246 -0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.523 13.508 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.740 12.868 1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.157 11.458 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.254 12.117 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.517 13.753 -0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.903 12.541 1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.981 11.213 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.797 12.801 -0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.757 12.773 -1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.681 14.059 -0.552 1.00 0.00 H new ATOM 333 N SER A 20 5.600 11.326 0.460 1.00 0.00 N ATOM 334 CA SER A 20 4.960 10.138 1.102 1.00 0.00 C ATOM 335 C SER A 20 4.198 9.318 0.058 1.00 0.00 C ATOM 336 O SER A 20 3.116 9.683 -0.361 1.00 0.00 O ATOM 337 CB SER A 20 3.996 10.719 2.135 1.00 0.00 C ATOM 338 OG SER A 20 4.691 11.647 2.956 1.00 0.00 O ATOM 0 H SER A 20 5.068 12.194 0.529 1.00 0.00 H new ATOM 0 HA SER A 20 5.692 9.470 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.162 11.212 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.574 9.920 2.745 1.00 0.00 H new ATOM 0 HG SER A 20 4.075 12.023 3.619 1.00 0.00 H new ATOM 344 N THR A 21 4.745 8.198 -0.341 1.00 0.00 N ATOM 345 CA THR A 21 4.045 7.328 -1.333 1.00 0.00 C ATOM 346 C THR A 21 2.963 6.489 -0.641 1.00 0.00 C ATOM 347 O THR A 21 3.252 5.656 0.198 1.00 0.00 O ATOM 348 CB THR A 21 5.139 6.429 -1.926 1.00 0.00 C ATOM 349 OG1 THR A 21 4.562 5.567 -2.896 1.00 0.00 O ATOM 350 CG2 THR A 21 5.795 5.588 -0.824 1.00 0.00 C ATOM 0 H THR A 21 5.648 7.848 -0.022 1.00 0.00 H new ATOM 0 HA THR A 21 3.541 7.910 -2.105 1.00 0.00 H new ATOM 0 HB THR A 21 5.900 7.056 -2.390 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.258 4.992 -3.278 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.568 4.956 -1.260 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.242 6.248 -0.080 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.041 4.962 -0.347 1.00 0.00 H new ATOM 358 N TRP A 22 1.725 6.671 -1.027 1.00 0.00 N ATOM 359 CA TRP A 22 0.623 5.850 -0.442 1.00 0.00 C ATOM 360 C TRP A 22 0.328 4.650 -1.349 1.00 0.00 C ATOM 361 O TRP A 22 -0.686 4.601 -2.020 1.00 0.00 O ATOM 362 CB TRP A 22 -0.582 6.790 -0.379 1.00 0.00 C ATOM 363 CG TRP A 22 -0.532 7.585 0.888 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.556 8.242 1.352 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.595 7.817 1.858 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.228 8.862 2.545 1.00 0.00 N ATOM 367 CE2 TRP A 22 -1.085 8.630 2.898 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.937 7.406 1.935 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.879 9.020 3.977 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.740 7.796 3.020 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.212 8.603 4.038 1.00 0.00 C ATOM 0 H TRP A 22 1.430 7.355 -1.724 1.00 0.00 H new ATOM 0 HA TRP A 22 0.876 5.452 0.541 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -0.580 7.458 -1.240 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.507 6.215 -0.424 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.522 8.277 0.870 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.878 9.422 3.096 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.354 6.786 1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.467 9.640 4.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.769 7.473 3.070 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.834 8.902 4.868 1.00 0.00 H new ATOM 382 N VAL A 23 1.199 3.673 -1.352 1.00 0.00 N ATOM 383 CA VAL A 23 0.970 2.459 -2.191 1.00 0.00 C ATOM 384 C VAL A 23 0.136 1.434 -1.415 1.00 0.00 C ATOM 385 O VAL A 23 0.088 1.452 -0.200 1.00 0.00 O ATOM 386 CB VAL A 23 2.370 1.907 -2.486 1.00 0.00 C ATOM 387 CG1 VAL A 23 2.258 0.642 -3.343 1.00 0.00 C ATOM 388 CG2 VAL A 23 3.185 2.957 -3.246 1.00 0.00 C ATOM 0 H VAL A 23 2.061 3.664 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 23 0.424 2.685 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 23 2.865 1.667 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.255 0.253 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.679 -0.110 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.760 0.882 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.180 2.564 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.685 3.197 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.271 3.859 -2.640 1.00 0.00 H new ATOM 398 N ILE A 24 -0.484 0.516 -2.111 1.00 0.00 N ATOM 399 CA ILE A 24 -1.274 -0.549 -1.423 1.00 0.00 C ATOM 400 C ILE A 24 -0.725 -1.929 -1.797 1.00 0.00 C ATOM 401 O ILE A 24 -0.315 -2.158 -2.920 1.00 0.00 O ATOM 402 CB ILE A 24 -2.709 -0.378 -1.937 1.00 0.00 C ATOM 403 CG1 ILE A 24 -3.213 1.042 -1.614 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.622 -1.410 -1.264 1.00 0.00 C ATOM 405 CD1 ILE A 24 -3.842 1.664 -2.864 1.00 0.00 C ATOM 0 H ILE A 24 -0.477 0.458 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.224 -0.469 -0.337 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.723 -0.528 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.945 1.004 -0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.386 1.661 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.641 -1.287 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.270 -2.415 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.604 -1.262 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.197 2.668 -2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.097 1.717 -3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.680 1.050 -3.194 1.00 0.00 H new ATOM 417 N LEU A 25 -0.748 -2.858 -0.875 1.00 0.00 N ATOM 418 CA LEU A 25 -0.263 -4.240 -1.183 1.00 0.00 C ATOM 419 C LEU A 25 -1.432 -5.231 -1.132 1.00 0.00 C ATOM 420 O LEU A 25 -1.935 -5.661 -2.152 1.00 0.00 O ATOM 421 CB LEU A 25 0.773 -4.556 -0.091 1.00 0.00 C ATOM 422 CG LEU A 25 2.130 -4.913 -0.721 1.00 0.00 C ATOM 423 CD1 LEU A 25 1.981 -6.145 -1.620 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.652 -3.730 -1.549 1.00 0.00 C ATOM 0 H LEU A 25 -1.082 -2.720 0.079 1.00 0.00 H new ATOM 0 HA LEU A 25 0.171 -4.315 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.887 -3.696 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.421 -5.385 0.523 1.00 0.00 H new ATOM 0 HG LEU A 25 2.841 -5.134 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.946 -6.391 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.628 -6.988 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.263 -5.933 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.613 -3.992 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.940 -3.497 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.774 -2.860 -0.904 1.00 0.00 H new ATOM 436 N HIS A 26 -1.904 -5.543 0.048 1.00 0.00 N ATOM 437 CA HIS A 26 -3.086 -6.445 0.176 1.00 0.00 C ATOM 438 C HIS A 26 -4.224 -5.709 0.886 1.00 0.00 C ATOM 439 O HIS A 26 -4.414 -5.844 2.079 1.00 0.00 O ATOM 440 CB HIS A 26 -2.600 -7.624 1.019 1.00 0.00 C ATOM 441 CG HIS A 26 -1.624 -8.442 0.221 1.00 0.00 C ATOM 442 ND1 HIS A 26 -2.030 -9.479 -0.605 1.00 0.00 N ATOM 443 CD2 HIS A 26 -0.255 -8.390 0.110 1.00 0.00 C ATOM 444 CE1 HIS A 26 -0.927 -10.004 -1.172 1.00 0.00 C ATOM 445 NE2 HIS A 26 0.182 -9.376 -0.770 1.00 0.00 N ATOM 0 H HIS A 26 -1.519 -5.210 0.932 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.467 -6.772 -0.791 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -2.127 -7.262 1.931 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.446 -8.241 1.322 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.385 -7.690 0.627 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.937 -10.831 -1.866 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.143 -9.576 -1.048 1.00 0.00 H new ATOM 453 N HIS A 27 -4.969 -4.907 0.161 1.00 0.00 N ATOM 454 CA HIS A 27 -6.090 -4.126 0.782 1.00 0.00 C ATOM 455 C HIS A 27 -5.577 -3.292 1.966 1.00 0.00 C ATOM 456 O HIS A 27 -6.341 -2.876 2.816 1.00 0.00 O ATOM 457 CB HIS A 27 -7.106 -5.169 1.258 1.00 0.00 C ATOM 458 CG HIS A 27 -8.342 -4.472 1.761 1.00 0.00 C ATOM 459 ND1 HIS A 27 -8.961 -4.831 2.948 1.00 0.00 N ATOM 460 CD2 HIS A 27 -9.084 -3.438 1.248 1.00 0.00 C ATOM 461 CE1 HIS A 27 -10.025 -4.025 3.109 1.00 0.00 C ATOM 462 NE2 HIS A 27 -10.148 -3.157 2.101 1.00 0.00 N ATOM 0 H HIS A 27 -4.848 -4.759 -0.841 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.533 -3.427 0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.363 -5.842 0.440 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.672 -5.780 2.050 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.875 -2.921 0.323 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.699 -4.073 3.952 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.866 -2.443 1.982 1.00 0.00 H new ATOM 470 N LYS A 28 -4.298 -2.999 1.992 1.00 0.00 N ATOM 471 CA LYS A 28 -3.740 -2.144 3.081 1.00 0.00 C ATOM 472 C LYS A 28 -3.046 -0.923 2.477 1.00 0.00 C ATOM 473 O LYS A 28 -2.362 -1.024 1.475 1.00 0.00 O ATOM 474 CB LYS A 28 -2.729 -3.033 3.806 1.00 0.00 C ATOM 475 CG LYS A 28 -3.455 -3.893 4.842 1.00 0.00 C ATOM 476 CD LYS A 28 -3.422 -3.192 6.201 1.00 0.00 C ATOM 477 CE LYS A 28 -2.218 -3.688 7.004 1.00 0.00 C ATOM 478 NZ LYS A 28 -2.690 -4.930 7.676 1.00 0.00 N ATOM 0 H LYS A 28 -3.617 -3.318 1.303 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.511 -1.774 3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.209 -3.669 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.973 -2.418 4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.487 -4.061 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.981 -4.872 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.361 -2.112 6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.344 -3.392 6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.366 -3.890 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.895 -2.944 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.919 -5.330 8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.497 -4.706 8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.985 -5.623 6.958 1.00 0.00 H new ATOM 492 N VAL A 29 -3.204 0.226 3.085 1.00 0.00 N ATOM 493 CA VAL A 29 -2.541 1.456 2.556 1.00 0.00 C ATOM 494 C VAL A 29 -1.166 1.630 3.206 1.00 0.00 C ATOM 495 O VAL A 29 -1.039 1.617 4.415 1.00 0.00 O ATOM 496 CB VAL A 29 -3.468 2.616 2.937 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.920 3.916 2.347 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.876 2.365 2.384 1.00 0.00 C ATOM 0 H VAL A 29 -3.764 0.365 3.926 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.383 1.407 1.479 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.517 2.693 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.577 4.743 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.921 4.102 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.870 3.830 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.528 3.194 2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.831 2.284 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.271 1.439 2.801 1.00 0.00 H new ATOM 508 N TYR A 30 -0.139 1.775 2.409 1.00 0.00 N ATOM 509 CA TYR A 30 1.235 1.929 2.975 1.00 0.00 C ATOM 510 C TYR A 30 1.738 3.367 2.815 1.00 0.00 C ATOM 511 O TYR A 30 1.851 3.869 1.712 1.00 0.00 O ATOM 512 CB TYR A 30 2.111 0.991 2.145 1.00 0.00 C ATOM 513 CG TYR A 30 1.851 -0.439 2.538 1.00 0.00 C ATOM 514 CD1 TYR A 30 0.623 -1.034 2.238 1.00 0.00 C ATOM 515 CD2 TYR A 30 2.844 -1.171 3.196 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.384 -2.363 2.599 1.00 0.00 C ATOM 517 CE2 TYR A 30 2.607 -2.501 3.559 1.00 0.00 C ATOM 518 CZ TYR A 30 1.376 -3.098 3.260 1.00 0.00 C ATOM 519 OH TYR A 30 1.141 -4.410 3.617 1.00 0.00 O ATOM 0 H TYR A 30 -0.192 1.793 1.391 1.00 0.00 H new ATOM 0 HA TYR A 30 1.254 1.699 4.040 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.902 1.129 1.084 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.163 1.233 2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.141 -0.467 1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.794 -0.710 3.424 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.566 -2.823 2.368 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.372 -3.067 4.069 1.00 0.00 H new ATOM 0 HH TYR A 30 1.932 -4.774 4.066 1.00 0.00 H new ATOM 529 N ASP A 31 2.222 3.948 3.883 1.00 0.00 N ATOM 530 CA ASP A 31 2.932 5.256 3.768 1.00 0.00 C ATOM 531 C ASP A 31 4.437 5.000 3.855 1.00 0.00 C ATOM 532 O ASP A 31 5.038 5.124 4.905 1.00 0.00 O ATOM 533 CB ASP A 31 2.447 6.087 4.958 1.00 0.00 C ATOM 534 CG ASP A 31 3.125 7.459 4.938 1.00 0.00 C ATOM 535 OD1 ASP A 31 3.351 7.970 3.854 1.00 0.00 O ATOM 536 OD2 ASP A 31 3.406 7.974 6.007 1.00 0.00 O ATOM 0 H ASP A 31 2.156 3.573 4.829 1.00 0.00 H new ATOM 0 HA ASP A 31 2.734 5.772 2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.364 6.205 4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.675 5.571 5.891 1.00 0.00 H new ATOM 541 N LEU A 32 5.019 4.535 2.782 1.00 0.00 N ATOM 542 CA LEU A 32 6.463 4.138 2.812 1.00 0.00 C ATOM 543 C LEU A 32 7.358 5.363 2.591 1.00 0.00 C ATOM 544 O LEU A 32 8.219 5.365 1.731 1.00 0.00 O ATOM 545 CB LEU A 32 6.638 3.130 1.660 1.00 0.00 C ATOM 546 CG LEU A 32 5.569 2.014 1.734 1.00 0.00 C ATOM 547 CD1 LEU A 32 4.861 1.877 0.377 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.231 0.678 2.103 1.00 0.00 C ATOM 0 H LEU A 32 4.557 4.411 1.881 1.00 0.00 H new ATOM 0 HA LEU A 32 6.744 3.706 3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.563 3.648 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.634 2.689 1.706 1.00 0.00 H new ATOM 0 HG LEU A 32 4.837 2.277 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.110 1.089 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.378 2.820 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.592 1.624 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.472 -0.103 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.970 0.417 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.721 0.770 3.072 1.00 0.00 H new ATOM 560 N THR A 33 7.188 6.389 3.388 1.00 0.00 N ATOM 561 CA THR A 33 8.056 7.601 3.256 1.00 0.00 C ATOM 562 C THR A 33 9.514 7.247 3.563 1.00 0.00 C ATOM 563 O THR A 33 10.389 7.413 2.735 1.00 0.00 O ATOM 564 CB THR A 33 7.524 8.598 4.290 1.00 0.00 C ATOM 565 OG1 THR A 33 7.623 8.029 5.587 1.00 0.00 O ATOM 566 CG2 THR A 33 6.059 8.931 3.989 1.00 0.00 C ATOM 0 H THR A 33 6.485 6.440 4.125 1.00 0.00 H new ATOM 0 HA THR A 33 8.030 8.010 2.246 1.00 0.00 H new ATOM 0 HB THR A 33 8.115 9.513 4.244 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.285 8.666 6.250 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.688 9.640 4.729 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.983 9.370 2.994 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.463 8.019 4.030 1.00 0.00 H new ATOM 574 N LYS A 34 9.773 6.742 4.742 1.00 0.00 N ATOM 575 CA LYS A 34 11.171 6.352 5.109 1.00 0.00 C ATOM 576 C LYS A 34 11.721 5.305 4.130 1.00 0.00 C ATOM 577 O LYS A 34 12.919 5.143 3.999 1.00 0.00 O ATOM 578 CB LYS A 34 11.069 5.764 6.517 1.00 0.00 C ATOM 579 CG LYS A 34 11.335 6.861 7.549 1.00 0.00 C ATOM 580 CD LYS A 34 10.643 6.503 8.866 1.00 0.00 C ATOM 581 CE LYS A 34 10.303 7.784 9.631 1.00 0.00 C ATOM 582 NZ LYS A 34 9.934 7.328 10.999 1.00 0.00 N ATOM 0 H LYS A 34 9.076 6.582 5.469 1.00 0.00 H new ATOM 0 HA LYS A 34 11.850 7.204 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.079 5.336 6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.789 4.954 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.408 6.973 7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.966 7.818 7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.735 5.933 8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.292 5.869 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.153 8.465 9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.480 8.320 9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.687 8.151 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.118 6.686 10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.739 6.827 11.427 1.00 0.00 H new ATOM 596 N PHE A 35 10.858 4.616 3.421 1.00 0.00 N ATOM 597 CA PHE A 35 11.340 3.606 2.427 1.00 0.00 C ATOM 598 C PHE A 35 11.961 4.308 1.215 1.00 0.00 C ATOM 599 O PHE A 35 12.857 3.786 0.580 1.00 0.00 O ATOM 600 CB PHE A 35 10.093 2.824 2.011 1.00 0.00 C ATOM 601 CG PHE A 35 10.486 1.419 1.623 1.00 0.00 C ATOM 602 CD1 PHE A 35 11.190 1.191 0.434 1.00 0.00 C ATOM 603 CD2 PHE A 35 10.146 0.342 2.452 1.00 0.00 C ATOM 604 CE1 PHE A 35 11.554 -0.111 0.074 1.00 0.00 C ATOM 605 CE2 PHE A 35 10.510 -0.961 2.091 1.00 0.00 C ATOM 606 CZ PHE A 35 11.215 -1.188 0.903 1.00 0.00 C ATOM 0 H PHE A 35 9.844 4.709 3.488 1.00 0.00 H new ATOM 0 HA PHE A 35 12.107 2.954 2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.376 2.799 2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.602 3.320 1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.452 2.021 -0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.603 0.517 3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.097 -0.286 -0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.247 -1.791 2.729 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.497 -2.193 0.626 1.00 0.00 H new ATOM 616 N LEU A 36 11.513 5.502 0.917 1.00 0.00 N ATOM 617 CA LEU A 36 12.103 6.263 -0.228 1.00 0.00 C ATOM 618 C LEU A 36 13.546 6.670 0.092 1.00 0.00 C ATOM 619 O LEU A 36 14.367 6.813 -0.794 1.00 0.00 O ATOM 620 CB LEU A 36 11.219 7.504 -0.385 1.00 0.00 C ATOM 621 CG LEU A 36 10.252 7.303 -1.555 1.00 0.00 C ATOM 622 CD1 LEU A 36 9.276 8.479 -1.618 1.00 0.00 C ATOM 623 CD2 LEU A 36 11.044 7.228 -2.862 1.00 0.00 C ATOM 0 H LEU A 36 10.765 5.983 1.416 1.00 0.00 H new ATOM 0 HA LEU A 36 12.135 5.669 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.661 7.684 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.838 8.384 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 36 9.696 6.377 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.587 8.336 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.712 8.534 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.832 9.406 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.357 7.085 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.600 8.155 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.740 6.391 -2.818 1.00 0.00 H new ATOM 635 N GLU A 37 13.863 6.829 1.352 1.00 0.00 N ATOM 636 CA GLU A 37 15.259 7.194 1.739 1.00 0.00 C ATOM 637 C GLU A 37 16.046 5.944 2.142 1.00 0.00 C ATOM 638 O GLU A 37 17.251 5.884 1.986 1.00 0.00 O ATOM 639 CB GLU A 37 15.105 8.137 2.932 1.00 0.00 C ATOM 640 CG GLU A 37 15.029 9.582 2.435 1.00 0.00 C ATOM 641 CD GLU A 37 13.565 9.982 2.244 1.00 0.00 C ATOM 642 OE1 GLU A 37 12.855 9.252 1.571 1.00 0.00 O ATOM 643 OE2 GLU A 37 13.177 11.009 2.775 1.00 0.00 O ATOM 0 H GLU A 37 13.213 6.721 2.131 1.00 0.00 H new ATOM 0 HA GLU A 37 15.805 7.659 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.205 7.887 3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.948 8.019 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.508 10.249 3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.570 9.683 1.494 1.00 0.00 H new ATOM 650 N GLU A 38 15.368 4.936 2.634 1.00 0.00 N ATOM 651 CA GLU A 38 16.067 3.673 3.019 1.00 0.00 C ATOM 652 C GLU A 38 16.301 2.796 1.785 1.00 0.00 C ATOM 653 O GLU A 38 17.255 2.043 1.723 1.00 0.00 O ATOM 654 CB GLU A 38 15.120 2.978 3.998 1.00 0.00 C ATOM 655 CG GLU A 38 15.452 3.413 5.427 1.00 0.00 C ATOM 656 CD GLU A 38 15.141 4.901 5.594 1.00 0.00 C ATOM 657 OE1 GLU A 38 15.923 5.707 5.118 1.00 0.00 O ATOM 658 OE2 GLU A 38 14.125 5.209 6.196 1.00 0.00 O ATOM 0 H GLU A 38 14.359 4.935 2.785 1.00 0.00 H new ATOM 0 HA GLU A 38 17.045 3.863 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.086 3.230 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.214 1.896 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.872 2.827 6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.504 3.225 5.640 1.00 0.00 H new ATOM 665 N HIS A 39 15.455 2.912 0.794 1.00 0.00 N ATOM 666 CA HIS A 39 15.641 2.113 -0.454 1.00 0.00 C ATOM 667 C HIS A 39 15.745 3.044 -1.673 1.00 0.00 C ATOM 668 O HIS A 39 14.737 3.463 -2.208 1.00 0.00 O ATOM 669 CB HIS A 39 14.391 1.237 -0.553 1.00 0.00 C ATOM 670 CG HIS A 39 14.535 0.054 0.364 1.00 0.00 C ATOM 671 ND1 HIS A 39 14.313 0.145 1.729 1.00 0.00 N ATOM 672 CD2 HIS A 39 14.876 -1.255 0.127 1.00 0.00 C ATOM 673 CE1 HIS A 39 14.522 -1.074 2.257 1.00 0.00 C ATOM 674 NE2 HIS A 39 14.868 -1.965 1.323 1.00 0.00 N ATOM 0 H HIS A 39 14.641 3.527 0.795 1.00 0.00 H new ATOM 0 HA HIS A 39 16.555 1.519 -0.431 1.00 0.00 H new ATOM 0 HB2 HIS A 39 13.507 1.814 -0.283 1.00 0.00 H new ATOM 0 HB3 HIS A 39 14.250 0.900 -1.580 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.114 -1.670 -0.841 1.00 0.00 H new ATOM 0 HE1 HIS A 39 14.422 -1.305 3.307 1.00 0.00 H new ATOM 0 HE2 HIS A 39 15.081 -2.953 1.458 1.00 0.00 H new ATOM 682 N PRO A 40 16.963 3.344 -2.083 1.00 0.00 N ATOM 683 CA PRO A 40 17.173 4.238 -3.258 1.00 0.00 C ATOM 684 C PRO A 40 16.387 3.738 -4.477 1.00 0.00 C ATOM 685 O PRO A 40 16.802 2.820 -5.159 1.00 0.00 O ATOM 686 CB PRO A 40 18.676 4.146 -3.516 1.00 0.00 C ATOM 687 CG PRO A 40 19.269 3.752 -2.203 1.00 0.00 C ATOM 688 CD PRO A 40 18.244 2.897 -1.507 1.00 0.00 C ATOM 0 HA PRO A 40 16.831 5.257 -3.077 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.900 3.409 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 40 19.077 5.099 -3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.199 3.202 -2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.509 4.632 -1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.417 1.837 -1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.269 3.042 -0.427 1.00 0.00 H new ATOM 696 N GLY A 41 15.275 4.363 -4.771 1.00 0.00 N ATOM 697 CA GLY A 41 14.475 3.960 -5.964 1.00 0.00 C ATOM 698 C GLY A 41 13.062 4.534 -5.848 1.00 0.00 C ATOM 699 O GLY A 41 12.820 5.678 -6.184 1.00 0.00 O ATOM 0 H GLY A 41 14.887 5.138 -4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.952 4.322 -6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.433 2.873 -6.037 1.00 0.00 H new ATOM 703 N GLY A 42 12.142 3.764 -5.324 1.00 0.00 N ATOM 704 CA GLY A 42 10.755 4.277 -5.124 1.00 0.00 C ATOM 705 C GLY A 42 9.860 3.801 -6.269 1.00 0.00 C ATOM 706 O GLY A 42 8.995 2.965 -6.084 1.00 0.00 O ATOM 0 H GLY A 42 12.293 2.800 -5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.361 3.925 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.762 5.366 -5.084 1.00 0.00 H new ATOM 710 N GLU A 43 10.081 4.305 -7.455 1.00 0.00 N ATOM 711 CA GLU A 43 9.266 3.861 -8.629 1.00 0.00 C ATOM 712 C GLU A 43 9.456 2.360 -8.869 1.00 0.00 C ATOM 713 O GLU A 43 8.569 1.687 -9.357 1.00 0.00 O ATOM 714 CB GLU A 43 9.798 4.665 -9.818 1.00 0.00 C ATOM 715 CG GLU A 43 9.044 5.992 -9.916 1.00 0.00 C ATOM 716 CD GLU A 43 9.815 7.074 -9.160 1.00 0.00 C ATOM 717 OE1 GLU A 43 10.887 7.440 -9.616 1.00 0.00 O ATOM 718 OE2 GLU A 43 9.322 7.520 -8.137 1.00 0.00 O ATOM 0 H GLU A 43 10.792 5.006 -7.663 1.00 0.00 H new ATOM 0 HA GLU A 43 8.200 4.027 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.865 4.849 -9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.675 4.096 -10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.925 6.278 -10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.043 5.885 -9.499 1.00 0.00 H new ATOM 725 N GLU A 44 10.595 1.831 -8.500 1.00 0.00 N ATOM 726 CA GLU A 44 10.837 0.367 -8.672 1.00 0.00 C ATOM 727 C GLU A 44 10.331 -0.402 -7.448 1.00 0.00 C ATOM 728 O GLU A 44 9.529 -1.310 -7.565 1.00 0.00 O ATOM 729 CB GLU A 44 12.354 0.230 -8.802 1.00 0.00 C ATOM 730 CG GLU A 44 12.795 0.716 -10.184 1.00 0.00 C ATOM 731 CD GLU A 44 14.203 0.199 -10.483 1.00 0.00 C ATOM 732 OE1 GLU A 44 14.435 -0.981 -10.276 1.00 0.00 O ATOM 733 OE2 GLU A 44 15.024 0.990 -10.914 1.00 0.00 O ATOM 0 H GLU A 44 11.369 2.351 -8.086 1.00 0.00 H new ATOM 0 HA GLU A 44 10.315 -0.039 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.850 0.812 -8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.649 -0.809 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.098 0.364 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.781 1.805 -10.219 1.00 0.00 H new ATOM 740 N VAL A 45 10.778 -0.030 -6.275 1.00 0.00 N ATOM 741 CA VAL A 45 10.307 -0.720 -5.033 1.00 0.00 C ATOM 742 C VAL A 45 8.788 -0.569 -4.886 1.00 0.00 C ATOM 743 O VAL A 45 8.183 0.283 -5.503 1.00 0.00 O ATOM 744 CB VAL A 45 11.039 -0.024 -3.875 1.00 0.00 C ATOM 745 CG1 VAL A 45 12.550 -0.165 -4.064 1.00 0.00 C ATOM 746 CG2 VAL A 45 10.674 1.464 -3.843 1.00 0.00 C ATOM 0 H VAL A 45 11.450 0.722 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 45 10.518 -1.789 -5.054 1.00 0.00 H new ATOM 0 HB VAL A 45 10.739 -0.491 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.067 0.329 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.818 -1.221 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.843 0.297 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.197 1.949 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.966 1.931 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.598 1.572 -3.703 1.00 0.00 H new ATOM 756 N LEU A 46 8.190 -1.329 -3.999 1.00 0.00 N ATOM 757 CA LEU A 46 6.727 -1.179 -3.712 1.00 0.00 C ATOM 758 C LEU A 46 5.891 -1.233 -5.007 1.00 0.00 C ATOM 759 O LEU A 46 5.492 -2.299 -5.438 1.00 0.00 O ATOM 760 CB LEU A 46 6.604 0.172 -2.996 1.00 0.00 C ATOM 761 CG LEU A 46 7.438 0.139 -1.711 1.00 0.00 C ATOM 762 CD1 LEU A 46 7.443 1.526 -1.064 1.00 0.00 C ATOM 763 CD2 LEU A 46 6.840 -0.883 -0.740 1.00 0.00 C ATOM 0 H LEU A 46 8.658 -2.054 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 46 6.341 -1.992 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.949 0.975 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.560 0.379 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 46 8.462 -0.147 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.037 1.499 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.875 2.249 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.421 1.819 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.433 -0.907 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.815 -0.601 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.846 -1.870 -1.202 1.00 0.00 H new ATOM 775 N ARG A 47 5.659 -0.112 -5.656 1.00 0.00 N ATOM 776 CA ARG A 47 4.896 -0.133 -6.942 1.00 0.00 C ATOM 777 C ARG A 47 5.797 -0.621 -8.081 1.00 0.00 C ATOM 778 O ARG A 47 6.223 0.150 -8.921 1.00 0.00 O ATOM 779 CB ARG A 47 4.467 1.318 -7.176 1.00 0.00 C ATOM 780 CG ARG A 47 3.035 1.517 -6.673 1.00 0.00 C ATOM 781 CD ARG A 47 2.049 0.925 -7.685 1.00 0.00 C ATOM 782 NE ARG A 47 1.003 0.243 -6.860 1.00 0.00 N ATOM 783 CZ ARG A 47 -0.168 -0.085 -7.369 1.00 0.00 C ATOM 784 NH1 ARG A 47 -0.486 0.209 -8.609 1.00 0.00 N ATOM 785 NH2 ARG A 47 -1.032 -0.718 -6.624 1.00 0.00 N ATOM 0 H ARG A 47 5.965 0.811 -5.349 1.00 0.00 H new ATOM 0 HA ARG A 47 4.040 -0.806 -6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.143 1.996 -6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.527 1.559 -8.237 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.909 1.036 -5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.833 2.579 -6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.612 1.703 -8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.545 0.221 -8.353 1.00 0.00 H new ATOM 0 HE ARG A 47 1.200 0.027 -5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.180 0.703 -9.203 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.399 -0.056 -8.978 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.798 -0.953 -5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.941 -0.977 -7.006 1.00 0.00 H new ATOM 799 N GLU A 48 6.056 -1.902 -8.133 1.00 0.00 N ATOM 800 CA GLU A 48 6.895 -2.459 -9.241 1.00 0.00 C ATOM 801 C GLU A 48 6.233 -2.191 -10.597 1.00 0.00 C ATOM 802 O GLU A 48 6.902 -2.083 -11.606 1.00 0.00 O ATOM 803 CB GLU A 48 6.971 -3.963 -8.972 1.00 0.00 C ATOM 804 CG GLU A 48 8.207 -4.269 -8.124 1.00 0.00 C ATOM 805 CD GLU A 48 8.244 -5.762 -7.791 1.00 0.00 C ATOM 806 OE1 GLU A 48 8.755 -6.517 -8.602 1.00 0.00 O ATOM 807 OE2 GLU A 48 7.760 -6.124 -6.732 1.00 0.00 O ATOM 0 H GLU A 48 5.723 -2.589 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 48 7.884 -2.001 -9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.071 -4.297 -8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.019 -4.510 -9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.110 -3.984 -8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.185 -3.682 -7.206 1.00 0.00 H new ATOM 814 N GLN A 49 4.928 -2.050 -10.620 1.00 0.00 N ATOM 815 CA GLN A 49 4.199 -1.754 -11.899 1.00 0.00 C ATOM 816 C GLN A 49 4.455 -2.858 -12.938 1.00 0.00 C ATOM 817 O GLN A 49 3.679 -3.787 -13.059 1.00 0.00 O ATOM 818 CB GLN A 49 4.730 -0.394 -12.389 1.00 0.00 C ATOM 819 CG GLN A 49 3.659 0.687 -12.190 1.00 0.00 C ATOM 820 CD GLN A 49 3.947 1.466 -10.905 1.00 0.00 C ATOM 821 OE1 GLN A 49 5.090 1.662 -10.543 1.00 0.00 O ATOM 822 NE2 GLN A 49 2.951 1.924 -10.196 1.00 0.00 N ATOM 0 H GLN A 49 4.329 -2.128 -9.798 1.00 0.00 H new ATOM 0 HA GLN A 49 3.120 -1.719 -11.745 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.634 -0.128 -11.841 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.003 -0.458 -13.442 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.649 1.365 -13.044 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.671 0.229 -12.136 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.991 1.760 -10.499 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.133 2.446 -9.339 1.00 0.00 H new ATOM 831 N ALA A 50 5.549 -2.788 -13.658 1.00 0.00 N ATOM 832 CA ALA A 50 5.867 -3.860 -14.652 1.00 0.00 C ATOM 833 C ALA A 50 6.400 -5.104 -13.935 1.00 0.00 C ATOM 834 O ALA A 50 7.594 -5.272 -13.770 1.00 0.00 O ATOM 835 CB ALA A 50 6.944 -3.261 -15.557 1.00 0.00 C ATOM 0 H ALA A 50 6.235 -2.035 -13.600 1.00 0.00 H new ATOM 0 HA ALA A 50 4.988 -4.170 -15.218 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.230 -3.991 -16.314 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.554 -2.367 -16.043 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.817 -2.998 -14.959 1.00 0.00 H new ATOM 841 N GLY A 51 5.521 -5.993 -13.542 1.00 0.00 N ATOM 842 CA GLY A 51 5.969 -7.251 -12.876 1.00 0.00 C ATOM 843 C GLY A 51 5.004 -7.597 -11.740 1.00 0.00 C ATOM 844 O GLY A 51 5.070 -7.030 -10.665 1.00 0.00 O ATOM 0 H GLY A 51 4.512 -5.900 -13.655 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.004 -8.066 -13.599 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.979 -7.129 -12.485 1.00 0.00 H new ATOM 848 N GLY A 52 4.135 -8.552 -11.959 1.00 0.00 N ATOM 849 CA GLY A 52 3.191 -8.975 -10.883 1.00 0.00 C ATOM 850 C GLY A 52 2.881 -10.464 -11.030 1.00 0.00 C ATOM 851 O GLY A 52 2.727 -10.969 -12.127 1.00 0.00 O ATOM 0 H GLY A 52 4.040 -9.058 -12.840 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.628 -8.779 -9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.271 -8.394 -10.943 1.00 0.00 H new ATOM 855 N ASP A 53 2.751 -11.162 -9.931 1.00 0.00 N ATOM 856 CA ASP A 53 2.405 -12.614 -9.994 1.00 0.00 C ATOM 857 C ASP A 53 2.016 -13.126 -8.604 1.00 0.00 C ATOM 858 O ASP A 53 0.885 -13.508 -8.370 1.00 0.00 O ATOM 859 CB ASP A 53 3.679 -13.304 -10.483 1.00 0.00 C ATOM 860 CG ASP A 53 3.307 -14.515 -11.340 1.00 0.00 C ATOM 861 OD1 ASP A 53 3.121 -14.337 -12.533 1.00 0.00 O ATOM 862 OD2 ASP A 53 3.216 -15.600 -10.790 1.00 0.00 O ATOM 0 H ASP A 53 2.870 -10.788 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 53 1.558 -12.809 -10.652 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.283 -12.606 -11.063 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.284 -13.619 -9.633 1.00 0.00 H new ATOM 867 N ALA A 54 2.937 -13.099 -7.674 1.00 0.00 N ATOM 868 CA ALA A 54 2.618 -13.541 -6.283 1.00 0.00 C ATOM 869 C ALA A 54 3.483 -12.777 -5.276 1.00 0.00 C ATOM 870 O ALA A 54 3.009 -11.898 -4.581 1.00 0.00 O ATOM 871 CB ALA A 54 2.953 -15.032 -6.256 1.00 0.00 C ATOM 0 H ALA A 54 3.898 -12.789 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 54 1.578 -13.352 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.745 -15.434 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.345 -15.555 -6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.008 -15.172 -6.491 1.00 0.00 H new ATOM 877 N THR A 55 4.755 -13.081 -5.224 1.00 0.00 N ATOM 878 CA THR A 55 5.670 -12.346 -4.297 1.00 0.00 C ATOM 879 C THR A 55 7.087 -12.301 -4.876 1.00 0.00 C ATOM 880 O THR A 55 8.046 -12.667 -4.223 1.00 0.00 O ATOM 881 CB THR A 55 5.644 -13.142 -2.986 1.00 0.00 C ATOM 882 OG1 THR A 55 6.526 -12.534 -2.052 1.00 0.00 O ATOM 883 CG2 THR A 55 6.087 -14.587 -3.237 1.00 0.00 C ATOM 0 H THR A 55 5.201 -13.808 -5.784 1.00 0.00 H new ATOM 0 HA THR A 55 5.358 -11.313 -4.146 1.00 0.00 H new ATOM 0 HB THR A 55 4.628 -13.146 -2.590 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.377 -11.565 -2.044 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.065 -15.142 -2.299 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.411 -15.056 -3.953 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.101 -14.592 -3.638 1.00 0.00 H new ATOM 891 N GLU A 56 7.228 -11.804 -6.080 1.00 0.00 N ATOM 892 CA GLU A 56 8.590 -11.675 -6.688 1.00 0.00 C ATOM 893 C GLU A 56 9.463 -10.750 -5.832 1.00 0.00 C ATOM 894 O GLU A 56 9.143 -10.461 -4.695 1.00 0.00 O ATOM 895 CB GLU A 56 8.357 -11.076 -8.083 1.00 0.00 C ATOM 896 CG GLU A 56 7.661 -9.714 -7.962 1.00 0.00 C ATOM 897 CD GLU A 56 6.675 -9.537 -9.118 1.00 0.00 C ATOM 898 OE1 GLU A 56 6.974 -10.010 -10.203 1.00 0.00 O ATOM 899 OE2 GLU A 56 5.639 -8.931 -8.901 1.00 0.00 O ATOM 0 H GLU A 56 6.460 -11.482 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 56 9.109 -12.632 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.309 -10.962 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.747 -11.753 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.136 -9.646 -7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.401 -8.914 -7.976 1.00 0.00 H new ATOM 906 N ASN A 57 10.541 -10.250 -6.386 1.00 0.00 N ATOM 907 CA ASN A 57 11.412 -9.301 -5.622 1.00 0.00 C ATOM 908 C ASN A 57 10.610 -8.062 -5.204 1.00 0.00 C ATOM 909 O ASN A 57 10.382 -7.162 -5.989 1.00 0.00 O ATOM 910 CB ASN A 57 12.547 -8.918 -6.581 1.00 0.00 C ATOM 911 CG ASN A 57 11.971 -8.326 -7.872 1.00 0.00 C ATOM 912 OD1 ASN A 57 11.487 -9.048 -8.722 1.00 0.00 O ATOM 913 ND2 ASN A 57 12.004 -7.034 -8.055 1.00 0.00 N ATOM 0 H ASN A 57 10.856 -10.458 -7.334 1.00 0.00 H new ATOM 0 HA ASN A 57 11.799 -9.750 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.208 -8.195 -6.104 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.150 -9.796 -6.812 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.624 -6.630 -8.911 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.410 -6.428 -7.342 1.00 0.00 H new ATOM 920 N PHE A 58 10.204 -8.004 -3.960 1.00 0.00 N ATOM 921 CA PHE A 58 9.443 -6.813 -3.469 1.00 0.00 C ATOM 922 C PHE A 58 10.294 -5.548 -3.606 1.00 0.00 C ATOM 923 O PHE A 58 9.882 -4.575 -4.212 1.00 0.00 O ATOM 924 CB PHE A 58 9.146 -7.100 -1.995 1.00 0.00 C ATOM 925 CG PHE A 58 7.917 -7.971 -1.885 1.00 0.00 C ATOM 926 CD1 PHE A 58 6.717 -7.569 -2.486 1.00 0.00 C ATOM 927 CD2 PHE A 58 7.975 -9.180 -1.181 1.00 0.00 C ATOM 928 CE1 PHE A 58 5.576 -8.376 -2.383 1.00 0.00 C ATOM 929 CE2 PHE A 58 6.835 -9.986 -1.077 1.00 0.00 C ATOM 930 CZ PHE A 58 5.636 -9.584 -1.678 1.00 0.00 C ATOM 0 H PHE A 58 10.367 -8.730 -3.263 1.00 0.00 H new ATOM 0 HA PHE A 58 8.530 -6.648 -4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.999 -7.597 -1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.991 -6.165 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.671 -6.637 -3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.900 -9.491 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.651 -8.066 -2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.880 -10.918 -0.533 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.757 -10.206 -1.598 1.00 0.00 H new ATOM 940 N GLU A 59 11.493 -5.569 -3.081 1.00 0.00 N ATOM 941 CA GLU A 59 12.396 -4.388 -3.214 1.00 0.00 C ATOM 942 C GLU A 59 13.851 -4.847 -3.345 1.00 0.00 C ATOM 943 O GLU A 59 14.432 -4.798 -4.414 1.00 0.00 O ATOM 944 CB GLU A 59 12.199 -3.591 -1.924 1.00 0.00 C ATOM 945 CG GLU A 59 10.815 -2.938 -1.932 1.00 0.00 C ATOM 946 CD GLU A 59 9.821 -3.835 -1.189 1.00 0.00 C ATOM 947 OE1 GLU A 59 10.209 -4.409 -0.185 1.00 0.00 O ATOM 948 OE2 GLU A 59 8.691 -3.931 -1.637 1.00 0.00 O ATOM 0 H GLU A 59 11.886 -6.356 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 59 12.170 -3.793 -4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.298 -4.248 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.972 -2.828 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.861 -1.958 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.482 -2.780 -2.958 1.00 0.00 H new ATOM 955 N ASP A 60 14.430 -5.325 -2.273 1.00 0.00 N ATOM 956 CA ASP A 60 15.835 -5.832 -2.336 1.00 0.00 C ATOM 957 C ASP A 60 15.951 -7.170 -1.598 1.00 0.00 C ATOM 958 O ASP A 60 15.051 -7.574 -0.886 1.00 0.00 O ATOM 959 CB ASP A 60 16.683 -4.755 -1.646 1.00 0.00 C ATOM 960 CG ASP A 60 16.200 -4.547 -0.206 1.00 0.00 C ATOM 961 OD1 ASP A 60 15.052 -4.168 -0.036 1.00 0.00 O ATOM 962 OD2 ASP A 60 16.985 -4.770 0.700 1.00 0.00 O ATOM 0 H ASP A 60 13.990 -5.386 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 60 16.163 -6.009 -3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.732 -5.051 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 60 16.616 -3.818 -2.199 1.00 0.00 H new ATOM 967 N VAL A 61 17.069 -7.836 -1.735 1.00 0.00 N ATOM 968 CA VAL A 61 17.270 -9.128 -1.009 1.00 0.00 C ATOM 969 C VAL A 61 18.129 -8.908 0.240 1.00 0.00 C ATOM 970 O VAL A 61 18.987 -8.046 0.269 1.00 0.00 O ATOM 971 CB VAL A 61 17.983 -10.049 -2.009 1.00 0.00 C ATOM 972 CG1 VAL A 61 17.094 -10.251 -3.236 1.00 0.00 C ATOM 973 CG2 VAL A 61 19.314 -9.427 -2.447 1.00 0.00 C ATOM 0 H VAL A 61 17.852 -7.541 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 61 16.328 -9.559 -0.669 1.00 0.00 H new ATOM 0 HB VAL A 61 18.178 -11.008 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.599 -10.905 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 61 16.151 -10.705 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 61 16.897 -9.287 -3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.810 -10.090 -3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.127 -8.463 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 61 19.953 -9.285 -1.576 1.00 0.00 H new ATOM 983 N GLY A 62 17.928 -9.709 1.256 1.00 0.00 N ATOM 984 CA GLY A 62 18.757 -9.582 2.491 1.00 0.00 C ATOM 985 C GLY A 62 17.929 -8.930 3.600 1.00 0.00 C ATOM 986 O GLY A 62 17.445 -7.823 3.452 1.00 0.00 O ATOM 0 H GLY A 62 17.224 -10.447 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.103 -10.565 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 62 19.644 -8.983 2.286 1.00 0.00 H new ATOM 990 N HIS A 63 17.799 -9.591 4.721 1.00 0.00 N ATOM 991 CA HIS A 63 17.043 -8.998 5.865 1.00 0.00 C ATOM 992 C HIS A 63 17.550 -9.575 7.189 1.00 0.00 C ATOM 993 O HIS A 63 18.127 -8.876 7.996 1.00 0.00 O ATOM 994 CB HIS A 63 15.587 -9.401 5.628 1.00 0.00 C ATOM 995 CG HIS A 63 15.023 -8.596 4.490 1.00 0.00 C ATOM 996 ND1 HIS A 63 14.496 -9.190 3.355 1.00 0.00 N ATOM 997 CD2 HIS A 63 14.896 -7.242 4.298 1.00 0.00 C ATOM 998 CE1 HIS A 63 14.080 -8.206 2.537 1.00 0.00 C ATOM 999 NE2 HIS A 63 14.300 -6.998 3.064 1.00 0.00 N ATOM 0 H HIS A 63 18.185 -10.519 4.894 1.00 0.00 H new ATOM 0 HA HIS A 63 17.163 -7.916 5.923 1.00 0.00 H new ATOM 0 HB2 HIS A 63 15.525 -10.465 5.400 1.00 0.00 H new ATOM 0 HB3 HIS A 63 15.001 -9.234 6.531 1.00 0.00 H new ATOM 0 HD2 HIS A 63 15.211 -6.482 4.998 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.624 -8.372 1.572 1.00 0.00 H new ATOM 0 HE2 HIS A 63 14.079 -6.092 2.651 1.00 0.00 H new ATOM 1007 N SER A 64 17.373 -10.858 7.394 1.00 0.00 N ATOM 1008 CA SER A 64 17.873 -11.525 8.643 1.00 0.00 C ATOM 1009 C SER A 64 17.269 -10.863 9.894 1.00 0.00 C ATOM 1010 O SER A 64 16.260 -11.310 10.406 1.00 0.00 O ATOM 1011 CB SER A 64 19.402 -11.383 8.618 1.00 0.00 C ATOM 1012 OG SER A 64 19.966 -12.514 7.966 1.00 0.00 O ATOM 0 H SER A 64 16.897 -11.481 6.742 1.00 0.00 H new ATOM 0 HA SER A 64 17.580 -12.574 8.681 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.686 -10.469 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.789 -11.304 9.634 1.00 0.00 H new ATOM 0 HG SER A 64 20.942 -12.427 7.946 1.00 0.00 H new ATOM 1018 N THR A 65 17.857 -9.791 10.374 1.00 0.00 N ATOM 1019 CA THR A 65 17.288 -9.094 11.572 1.00 0.00 C ATOM 1020 C THR A 65 15.860 -8.614 11.286 1.00 0.00 C ATOM 1021 O THR A 65 15.051 -8.485 12.186 1.00 0.00 O ATOM 1022 CB THR A 65 18.219 -7.901 11.832 1.00 0.00 C ATOM 1023 OG1 THR A 65 17.737 -7.164 12.946 1.00 0.00 O ATOM 1024 CG2 THR A 65 18.268 -6.990 10.600 1.00 0.00 C ATOM 0 H THR A 65 18.703 -9.371 9.989 1.00 0.00 H new ATOM 0 HA THR A 65 17.230 -9.755 12.437 1.00 0.00 H new ATOM 0 HB THR A 65 19.223 -8.271 12.039 1.00 0.00 H new ATOM 0 HG1 THR A 65 18.330 -6.402 13.116 1.00 0.00 H new ATOM 0 HG21 THR A 65 18.931 -6.148 10.797 1.00 0.00 H new ATOM 0 HG22 THR A 65 18.641 -7.554 9.745 1.00 0.00 H new ATOM 0 HG23 THR A 65 17.266 -6.620 10.381 1.00 0.00 H new ATOM 1032 N ASP A 66 15.537 -8.385 10.037 1.00 0.00 N ATOM 1033 CA ASP A 66 14.150 -7.957 9.684 1.00 0.00 C ATOM 1034 C ASP A 66 13.225 -9.174 9.598 1.00 0.00 C ATOM 1035 O ASP A 66 13.018 -9.731 8.536 1.00 0.00 O ATOM 1036 CB ASP A 66 14.279 -7.283 8.317 1.00 0.00 C ATOM 1037 CG ASP A 66 14.439 -5.773 8.505 1.00 0.00 C ATOM 1038 OD1 ASP A 66 13.613 -5.190 9.189 1.00 0.00 O ATOM 1039 OD2 ASP A 66 15.383 -5.225 7.961 1.00 0.00 O ATOM 0 H ASP A 66 16.175 -8.476 9.247 1.00 0.00 H new ATOM 0 HA ASP A 66 13.723 -7.287 10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.138 -7.686 7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.397 -7.493 7.711 1.00 0.00 H new ATOM 1044 N ALA A 67 12.641 -9.564 10.702 1.00 0.00 N ATOM 1045 CA ALA A 67 11.690 -10.717 10.686 1.00 0.00 C ATOM 1046 C ALA A 67 10.289 -10.242 10.291 1.00 0.00 C ATOM 1047 O ALA A 67 9.588 -10.903 9.549 1.00 0.00 O ATOM 1048 CB ALA A 67 11.691 -11.249 12.119 1.00 0.00 C ATOM 0 H ALA A 67 12.782 -9.133 11.616 1.00 0.00 H new ATOM 0 HA ALA A 67 11.980 -11.482 9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.014 -12.100 12.191 1.00 0.00 H new ATOM 0 HB2 ALA A 67 12.699 -11.563 12.390 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.360 -10.464 12.799 1.00 0.00 H new ATOM 1054 N ARG A 68 9.897 -9.080 10.750 1.00 0.00 N ATOM 1055 CA ARG A 68 8.560 -8.530 10.370 1.00 0.00 C ATOM 1056 C ARG A 68 8.636 -7.766 9.038 1.00 0.00 C ATOM 1057 O ARG A 68 7.669 -7.160 8.614 1.00 0.00 O ATOM 1058 CB ARG A 68 8.193 -7.578 11.508 1.00 0.00 C ATOM 1059 CG ARG A 68 6.697 -7.687 11.808 1.00 0.00 C ATOM 1060 CD ARG A 68 6.440 -7.321 13.271 1.00 0.00 C ATOM 1061 NE ARG A 68 5.364 -8.256 13.719 1.00 0.00 N ATOM 1062 CZ ARG A 68 5.613 -9.531 13.948 1.00 0.00 C ATOM 1063 NH1 ARG A 68 6.824 -10.027 13.834 1.00 0.00 N ATOM 1064 NH2 ARG A 68 4.632 -10.318 14.296 1.00 0.00 N ATOM 0 H ARG A 68 10.446 -8.488 11.373 1.00 0.00 H new ATOM 0 HA ARG A 68 7.821 -9.319 10.231 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.771 -7.821 12.399 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.445 -6.554 11.234 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.135 -7.022 11.152 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.349 -8.701 11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.342 -7.440 13.872 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.126 -6.282 13.369 1.00 0.00 H new ATOM 0 HE ARG A 68 4.417 -7.901 13.851 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.599 -9.422 13.563 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.989 -11.017 14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.687 -9.945 14.388 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.810 -11.306 14.476 1.00 0.00 H new ATOM 1078 N GLU A 69 9.761 -7.814 8.355 1.00 0.00 N ATOM 1079 CA GLU A 69 9.884 -7.121 7.029 1.00 0.00 C ATOM 1080 C GLU A 69 9.489 -5.644 7.149 1.00 0.00 C ATOM 1081 O GLU A 69 9.118 -5.177 8.208 1.00 0.00 O ATOM 1082 CB GLU A 69 8.925 -7.860 6.090 1.00 0.00 C ATOM 1083 CG GLU A 69 9.455 -7.786 4.657 1.00 0.00 C ATOM 1084 CD GLU A 69 9.036 -9.044 3.892 1.00 0.00 C ATOM 1085 OE1 GLU A 69 9.530 -10.108 4.225 1.00 0.00 O ATOM 1086 OE2 GLU A 69 8.229 -8.919 2.986 1.00 0.00 O ATOM 0 H GLU A 69 10.601 -8.305 8.661 1.00 0.00 H new ATOM 0 HA GLU A 69 10.909 -7.141 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.826 -8.901 6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.931 -7.416 6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.065 -6.898 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.541 -7.697 4.664 1.00 0.00 H new ATOM 1093 N LEU A 70 9.534 -4.920 6.058 1.00 0.00 N ATOM 1094 CA LEU A 70 9.126 -3.484 6.089 1.00 0.00 C ATOM 1095 C LEU A 70 7.631 -3.348 5.791 1.00 0.00 C ATOM 1096 O LEU A 70 6.982 -2.426 6.248 1.00 0.00 O ATOM 1097 CB LEU A 70 9.955 -2.814 4.991 1.00 0.00 C ATOM 1098 CG LEU A 70 11.247 -2.260 5.593 1.00 0.00 C ATOM 1099 CD1 LEU A 70 12.155 -1.751 4.472 1.00 0.00 C ATOM 1100 CD2 LEU A 70 10.912 -1.106 6.541 1.00 0.00 C ATOM 0 H LEU A 70 9.836 -5.263 5.146 1.00 0.00 H new ATOM 0 HA LEU A 70 9.295 -3.029 7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.187 -3.533 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.383 -2.010 4.528 1.00 0.00 H new ATOM 0 HG LEU A 70 11.759 -3.048 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.076 -1.356 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.393 -2.572 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.644 -0.962 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.832 -0.710 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.401 -0.318 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.264 -1.468 7.340 1.00 0.00 H new ATOM 1112 N SER A 71 7.073 -4.279 5.057 1.00 0.00 N ATOM 1113 CA SER A 71 5.608 -4.231 4.762 1.00 0.00 C ATOM 1114 C SER A 71 4.802 -4.575 6.020 1.00 0.00 C ATOM 1115 O SER A 71 4.080 -5.554 6.058 1.00 0.00 O ATOM 1116 CB SER A 71 5.383 -5.280 3.671 1.00 0.00 C ATOM 1117 OG SER A 71 5.930 -6.522 4.096 1.00 0.00 O ATOM 0 H SER A 71 7.570 -5.071 4.649 1.00 0.00 H new ATOM 0 HA SER A 71 5.285 -3.240 4.441 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.317 -5.389 3.469 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.853 -4.961 2.741 1.00 0.00 H new ATOM 0 HG SER A 71 5.439 -6.844 4.881 1.00 0.00 H new ATOM 1123 N LYS A 72 4.893 -3.752 7.034 1.00 0.00 N ATOM 1124 CA LYS A 72 4.105 -3.995 8.280 1.00 0.00 C ATOM 1125 C LYS A 72 4.161 -2.764 9.189 1.00 0.00 C ATOM 1126 O LYS A 72 3.148 -2.173 9.511 1.00 0.00 O ATOM 1127 CB LYS A 72 4.782 -5.189 8.952 1.00 0.00 C ATOM 1128 CG LYS A 72 3.810 -5.839 9.939 1.00 0.00 C ATOM 1129 CD LYS A 72 3.991 -5.213 11.323 1.00 0.00 C ATOM 1130 CE LYS A 72 2.641 -5.163 12.043 1.00 0.00 C ATOM 1131 NZ LYS A 72 2.610 -6.393 12.883 1.00 0.00 N ATOM 0 H LYS A 72 5.482 -2.919 7.052 1.00 0.00 H new ATOM 0 HA LYS A 72 3.053 -4.189 8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.093 -5.915 8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.683 -4.864 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.784 -5.702 9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.989 -6.913 9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.705 -5.795 11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.402 -4.208 11.228 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.552 -4.265 12.654 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.814 -5.149 11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.647 -6.540 13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.891 -7.213 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.270 -6.286 13.680 1.00 0.00 H new ATOM 1145 N THR A 73 5.344 -2.349 9.564 1.00 0.00 N ATOM 1146 CA THR A 73 5.484 -1.125 10.410 1.00 0.00 C ATOM 1147 C THR A 73 5.372 0.144 9.552 1.00 0.00 C ATOM 1148 O THR A 73 5.107 1.217 10.061 1.00 0.00 O ATOM 1149 CB THR A 73 6.879 -1.230 11.030 1.00 0.00 C ATOM 1150 OG1 THR A 73 7.823 -1.546 10.017 1.00 0.00 O ATOM 1151 CG2 THR A 73 6.884 -2.327 12.096 1.00 0.00 C ATOM 0 H THR A 73 6.222 -2.807 9.320 1.00 0.00 H new ATOM 0 HA THR A 73 4.701 -1.060 11.166 1.00 0.00 H new ATOM 0 HB THR A 73 7.145 -0.279 11.490 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.717 -1.612 10.412 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.878 -2.401 12.537 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.160 -2.083 12.873 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.618 -3.280 11.639 1.00 0.00 H new ATOM 1159 N TYR A 74 5.549 0.025 8.257 1.00 0.00 N ATOM 1160 CA TYR A 74 5.427 1.220 7.368 1.00 0.00 C ATOM 1161 C TYR A 74 4.010 1.314 6.790 1.00 0.00 C ATOM 1162 O TYR A 74 3.821 1.727 5.661 1.00 0.00 O ATOM 1163 CB TYR A 74 6.442 0.979 6.248 1.00 0.00 C ATOM 1164 CG TYR A 74 7.796 1.502 6.665 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.375 1.079 7.868 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.477 2.410 5.845 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.632 1.563 8.250 1.00 0.00 C ATOM 1168 CE2 TYR A 74 9.733 2.894 6.226 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.311 2.470 7.428 1.00 0.00 C ATOM 1170 OH TYR A 74 11.550 2.948 7.805 1.00 0.00 O ATOM 0 H TYR A 74 5.772 -0.848 7.780 1.00 0.00 H new ATOM 0 HA TYR A 74 5.614 2.152 7.902 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.506 -0.086 6.025 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.115 1.476 5.335 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.851 0.379 8.502 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.032 2.737 4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.077 1.237 9.178 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.257 3.595 5.593 1.00 0.00 H new ATOM 0 HH TYR A 74 12.167 2.892 7.046 1.00 0.00 H new ATOM 1180 N ILE A 75 3.015 0.959 7.564 1.00 0.00 N ATOM 1181 CA ILE A 75 1.606 1.053 7.070 1.00 0.00 C ATOM 1182 C ILE A 75 0.849 2.136 7.846 1.00 0.00 C ATOM 1183 O ILE A 75 1.296 2.596 8.880 1.00 0.00 O ATOM 1184 CB ILE A 75 0.987 -0.326 7.327 1.00 0.00 C ATOM 1185 CG1 ILE A 75 1.829 -1.412 6.646 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.428 -0.360 6.750 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.302 -2.792 7.045 1.00 0.00 C ATOM 0 H ILE A 75 3.117 0.608 8.516 1.00 0.00 H new ATOM 0 HA ILE A 75 1.560 1.321 6.015 1.00 0.00 H new ATOM 0 HB ILE A 75 0.958 -0.510 8.401 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.787 -1.294 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.875 -1.312 6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.871 -1.339 6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.035 0.407 7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.388 -0.173 5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.900 -3.564 6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.367 -2.907 8.127 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.263 -2.889 6.732 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.293 2.542 7.354 1.00 0.00 N ATOM 1200 CA ILE A 76 -1.091 3.596 8.060 1.00 0.00 C ATOM 1201 C ILE A 76 -2.523 3.115 8.328 1.00 0.00 C ATOM 1202 O ILE A 76 -3.106 3.433 9.348 1.00 0.00 O ATOM 1203 CB ILE A 76 -1.093 4.807 7.118 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.625 4.402 5.735 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.334 5.337 6.980 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.725 5.636 4.835 1.00 0.00 C ATOM 0 H ILE A 76 -0.710 2.190 6.492 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.662 3.839 9.032 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.739 5.582 7.531 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.963 3.664 5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.604 3.933 5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.339 6.198 6.312 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.707 5.636 7.959 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.974 4.556 6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.103 5.342 3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.405 6.360 5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.738 6.086 4.723 1.00 0.00 H new ATOM 1218 N GLY A 77 -3.088 2.348 7.431 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.476 1.838 7.641 1.00 0.00 C ATOM 1220 C GLY A 77 -4.869 0.932 6.475 1.00 0.00 C ATOM 1221 O GLY A 77 -4.028 0.476 5.723 1.00 0.00 O ATOM 0 H GLY A 77 -2.647 2.052 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.534 1.286 8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.173 2.672 7.718 1.00 0.00 H new ATOM 1225 N GLU A 78 -6.144 0.706 6.294 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.605 -0.127 5.145 1.00 0.00 C ATOM 1227 C GLU A 78 -7.275 0.758 4.089 1.00 0.00 C ATOM 1228 O GLU A 78 -7.349 1.963 4.236 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.620 -1.106 5.739 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.971 -2.479 5.921 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.794 -3.306 6.912 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -9.008 -3.305 6.789 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -7.196 -3.924 7.777 1.00 0.00 O ATOM 0 H GLU A 78 -6.887 1.063 6.894 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.780 -0.644 4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.980 -0.734 6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.487 -1.188 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.911 -2.995 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.950 -2.365 6.286 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.823 0.157 3.063 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.565 0.947 2.036 1.00 0.00 C ATOM 1242 C LEU A 79 -10.052 0.588 2.067 1.00 0.00 C ATOM 1243 O LEU A 79 -10.418 -0.558 2.253 1.00 0.00 O ATOM 1244 CB LEU A 79 -7.944 0.545 0.696 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.459 1.477 -0.403 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -7.359 1.701 -1.446 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -9.682 0.845 -1.076 1.00 0.00 C ATOM 0 H LEU A 79 -7.788 -0.848 2.893 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.493 2.020 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.857 0.600 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.198 -0.488 0.460 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.739 2.434 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.728 2.365 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.490 2.152 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.075 0.745 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.050 1.508 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.402 -0.113 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.466 0.690 -0.334 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.908 1.552 1.841 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.376 1.266 1.810 1.00 0.00 C ATOM 1261 C HIS A 80 -12.693 0.255 0.691 1.00 0.00 C ATOM 1262 O HIS A 80 -12.562 0.579 -0.473 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.042 2.612 1.512 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.457 2.596 2.023 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.221 1.440 2.049 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -15.260 3.587 2.532 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.425 1.760 2.556 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.502 3.057 2.868 1.00 0.00 N ATOM 0 H HIS A 80 -10.654 2.526 1.676 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.730 0.835 2.746 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.483 3.419 1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.034 2.804 0.439 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.971 4.621 2.653 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.231 1.055 2.694 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.300 3.552 3.267 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.102 -0.945 1.065 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.430 -1.987 0.048 1.00 0.00 C ATOM 1278 C PRO A 81 -14.422 -1.452 -0.996 1.00 0.00 C ATOM 1279 O PRO A 81 -14.454 -1.911 -2.122 1.00 0.00 O ATOM 1280 CB PRO A 81 -14.069 -3.105 0.869 1.00 0.00 C ATOM 1281 CG PRO A 81 -13.528 -2.926 2.250 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.294 -1.451 2.436 1.00 0.00 C ATOM 0 HA PRO A 81 -12.554 -2.313 -0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.156 -3.031 0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.812 -4.086 0.468 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.231 -3.303 2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.600 -3.484 2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.142 -0.971 2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.419 -1.261 3.058 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.198 -0.459 -0.638 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.157 0.139 -1.619 1.00 0.00 C ATOM 1292 C ASP A 82 -15.397 0.716 -2.818 1.00 0.00 C ATOM 1293 O ASP A 82 -15.904 0.750 -3.924 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.874 1.254 -0.856 1.00 0.00 C ATOM 1295 CG ASP A 82 -18.303 1.399 -1.384 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -19.072 0.467 -1.218 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -18.603 2.439 -1.946 1.00 0.00 O ATOM 0 H ASP A 82 -15.209 -0.037 0.290 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.857 -0.600 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.890 1.027 0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.335 2.194 -0.973 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.174 1.135 -2.611 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.358 1.673 -3.742 1.00 0.00 C ATOM 1304 C ASP A 83 -12.491 0.567 -4.357 1.00 0.00 C ATOM 1305 O ASP A 83 -12.099 0.649 -5.505 1.00 0.00 O ATOM 1306 CB ASP A 83 -12.480 2.755 -3.112 1.00 0.00 C ATOM 1307 CG ASP A 83 -13.252 4.075 -3.063 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -13.835 4.436 -4.073 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.247 4.703 -2.018 1.00 0.00 O ATOM 0 H ASP A 83 -13.704 1.128 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.980 2.064 -4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.183 2.457 -2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.565 2.878 -3.691 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.219 -0.483 -3.615 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.410 -1.619 -4.173 1.00 0.00 C ATOM 1316 C ARG A 84 -12.025 -2.122 -5.486 1.00 0.00 C ATOM 1317 O ARG A 84 -11.448 -1.969 -6.546 1.00 0.00 O ATOM 1318 CB ARG A 84 -11.464 -2.714 -3.106 1.00 0.00 C ATOM 1319 CG ARG A 84 -10.212 -2.638 -2.228 1.00 0.00 C ATOM 1320 CD ARG A 84 -9.077 -3.424 -2.887 1.00 0.00 C ATOM 1321 NE ARG A 84 -9.303 -4.847 -2.481 1.00 0.00 N ATOM 1322 CZ ARG A 84 -8.329 -5.736 -2.520 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -7.129 -5.424 -2.957 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -8.562 -6.954 -2.114 1.00 0.00 N ATOM 0 H ARG A 84 -12.521 -0.603 -2.648 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.387 -1.317 -4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.358 -2.595 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.530 -3.694 -3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.915 -1.598 -2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.423 -3.044 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.099 -3.315 -3.971 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.103 -3.068 -2.551 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.230 -5.135 -2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.933 -4.475 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.394 -6.131 -2.977 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.488 -7.209 -1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.818 -7.651 -2.139 1.00 0.00 H new ATOM 1338 N SER A 85 -13.228 -2.635 -5.428 1.00 0.00 N ATOM 1339 CA SER A 85 -13.927 -3.049 -6.683 1.00 0.00 C ATOM 1340 C SER A 85 -14.298 -1.808 -7.496 1.00 0.00 C ATOM 1341 O SER A 85 -13.723 -1.542 -8.535 1.00 0.00 O ATOM 1342 CB SER A 85 -15.186 -3.784 -6.219 1.00 0.00 C ATOM 1343 OG SER A 85 -16.107 -3.865 -7.300 1.00 0.00 O ATOM 0 H SER A 85 -13.756 -2.785 -4.568 1.00 0.00 H new ATOM 0 HA SER A 85 -13.306 -3.681 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.929 -4.784 -5.869 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.639 -3.258 -5.378 1.00 0.00 H new ATOM 0 HG SER A 85 -16.914 -4.337 -7.007 1.00 0.00 H new ATOM 1349 N LYS A 86 -15.186 -0.997 -6.977 1.00 0.00 N ATOM 1350 CA LYS A 86 -15.524 0.292 -7.651 1.00 0.00 C ATOM 1351 C LYS A 86 -16.424 1.125 -6.734 1.00 0.00 C ATOM 1352 O LYS A 86 -15.964 2.024 -6.061 1.00 0.00 O ATOM 1353 CB LYS A 86 -16.261 -0.093 -8.945 1.00 0.00 C ATOM 1354 CG LYS A 86 -15.486 0.420 -10.168 1.00 0.00 C ATOM 1355 CD LYS A 86 -15.359 1.952 -10.124 1.00 0.00 C ATOM 1356 CE LYS A 86 -16.748 2.606 -10.089 1.00 0.00 C ATOM 1357 NZ LYS A 86 -17.441 2.127 -11.320 1.00 0.00 N ATOM 0 H LYS A 86 -15.694 -1.175 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 86 -14.640 0.891 -7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.370 -1.176 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.266 0.328 -8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.494 -0.032 -10.193 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.997 0.118 -11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.788 2.250 -9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.807 2.302 -10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.296 2.317 -9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.671 3.693 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.197 2.794 -11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.757 2.064 -12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.853 1.188 -11.144 1.00 0.00 H new ATOM 1371 N ILE A 87 -17.685 0.779 -6.647 1.00 0.00 N ATOM 1372 CA ILE A 87 -18.609 1.487 -5.707 1.00 0.00 C ATOM 1373 C ILE A 87 -19.684 0.502 -5.221 1.00 0.00 C ATOM 1374 O ILE A 87 -19.606 -0.026 -4.128 1.00 0.00 O ATOM 1375 CB ILE A 87 -19.228 2.638 -6.533 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -18.176 3.735 -6.782 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -20.425 3.258 -5.792 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -17.673 4.306 -5.449 1.00 0.00 C ATOM 0 H ILE A 87 -18.117 0.032 -7.190 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.104 1.874 -4.822 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.568 2.226 -7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.340 3.324 -7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.609 4.532 -7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -20.845 4.066 -6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -21.186 2.495 -5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -20.093 3.653 -4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -16.930 5.080 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -18.510 4.735 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -17.221 3.509 -4.859 1.00 0.00 H new ATOM 1390 N ALA A 88 -20.665 0.229 -6.045 1.00 0.00 N ATOM 1391 CA ALA A 88 -21.726 -0.750 -5.658 1.00 0.00 C ATOM 1392 C ALA A 88 -21.210 -2.181 -5.825 1.00 0.00 C ATOM 1393 O ALA A 88 -20.717 -2.554 -6.873 1.00 0.00 O ATOM 1394 CB ALA A 88 -22.885 -0.483 -6.620 1.00 0.00 C ATOM 0 H ALA A 88 -20.777 0.643 -6.971 1.00 0.00 H new ATOM 0 HA ALA A 88 -22.028 -0.640 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -23.706 -1.165 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -23.226 0.546 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -22.550 -0.639 -7.645 1.00 0.00 H new ATOM 1400 N LYS A 89 -21.353 -2.992 -4.808 1.00 0.00 N ATOM 1401 CA LYS A 89 -20.912 -4.417 -4.909 1.00 0.00 C ATOM 1402 C LYS A 89 -21.595 -5.267 -3.822 1.00 0.00 C ATOM 1403 O LYS A 89 -20.930 -5.831 -2.975 1.00 0.00 O ATOM 1404 CB LYS A 89 -19.389 -4.385 -4.707 1.00 0.00 C ATOM 1405 CG LYS A 89 -19.045 -3.731 -3.363 1.00 0.00 C ATOM 1406 CD LYS A 89 -17.558 -3.374 -3.337 1.00 0.00 C ATOM 1407 CE LYS A 89 -16.730 -4.642 -3.109 1.00 0.00 C ATOM 1408 NZ LYS A 89 -15.631 -4.224 -2.196 1.00 0.00 N ATOM 0 H LYS A 89 -21.757 -2.728 -3.909 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.179 -4.863 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.990 -5.399 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.919 -3.831 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.648 -2.835 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.281 -4.411 -2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.270 -2.903 -4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.361 -2.651 -2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.334 -5.433 -2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.337 -5.031 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.788 -4.805 -2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.404 -3.223 -2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.932 -4.352 -1.209 1.00 0.00 H new ATOM 1422 N PRO A 90 -22.913 -5.340 -3.877 1.00 0.00 N ATOM 1423 CA PRO A 90 -23.674 -6.139 -2.874 1.00 0.00 C ATOM 1424 C PRO A 90 -23.136 -7.574 -2.790 1.00 0.00 C ATOM 1425 O PRO A 90 -22.183 -7.928 -3.459 1.00 0.00 O ATOM 1426 CB PRO A 90 -25.101 -6.137 -3.417 1.00 0.00 C ATOM 1427 CG PRO A 90 -25.185 -4.914 -4.271 1.00 0.00 C ATOM 1428 CD PRO A 90 -23.813 -4.698 -4.852 1.00 0.00 C ATOM 0 HA PRO A 90 -23.598 -5.728 -1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -25.305 -7.038 -3.996 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -25.831 -6.105 -2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -25.924 -5.044 -5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -25.496 -4.051 -3.682 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -23.721 -5.150 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -23.589 -3.637 -4.965 1.00 0.00 H new ATOM 1436 N SER A 91 -23.770 -8.408 -2.004 1.00 0.00 N ATOM 1437 CA SER A 91 -23.334 -9.833 -1.908 1.00 0.00 C ATOM 1438 C SER A 91 -24.128 -10.697 -2.895 1.00 0.00 C ATOM 1439 O SER A 91 -24.709 -10.197 -3.839 1.00 0.00 O ATOM 1440 CB SER A 91 -23.641 -10.244 -0.469 1.00 0.00 C ATOM 1441 OG SER A 91 -23.242 -9.201 0.411 1.00 0.00 O ATOM 0 H SER A 91 -24.572 -8.162 -1.424 1.00 0.00 H new ATOM 0 HA SER A 91 -22.279 -9.960 -2.152 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.706 -10.444 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.115 -11.166 -0.221 1.00 0.00 H new ATOM 0 HG SER A 91 -23.439 -9.460 1.335 1.00 0.00 H new ATOM 1447 N GLU A 92 -24.187 -11.982 -2.656 1.00 0.00 N ATOM 1448 CA GLU A 92 -24.979 -12.881 -3.553 1.00 0.00 C ATOM 1449 C GLU A 92 -26.470 -12.537 -3.464 1.00 0.00 C ATOM 1450 O GLU A 92 -26.878 -11.712 -2.669 1.00 0.00 O ATOM 1451 CB GLU A 92 -24.719 -14.305 -3.043 1.00 0.00 C ATOM 1452 CG GLU A 92 -25.127 -14.420 -1.570 1.00 0.00 C ATOM 1453 CD GLU A 92 -25.350 -15.892 -1.217 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -26.106 -16.541 -1.919 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -24.758 -16.344 -0.250 1.00 0.00 O ATOM 0 H GLU A 92 -23.721 -12.449 -1.878 1.00 0.00 H new ATOM 0 HA GLU A 92 -24.689 -12.772 -4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -25.281 -15.022 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -23.664 -14.553 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -24.352 -13.995 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -26.038 -13.849 -1.388 1.00 0.00 H new ATOM 1462 N THR A 93 -27.285 -13.195 -4.248 1.00 0.00 N ATOM 1463 CA THR A 93 -28.757 -12.946 -4.186 1.00 0.00 C ATOM 1464 C THR A 93 -29.515 -14.275 -4.105 1.00 0.00 C ATOM 1465 O THR A 93 -30.141 -14.580 -3.107 1.00 0.00 O ATOM 1466 CB THR A 93 -29.090 -12.217 -5.488 1.00 0.00 C ATOM 1467 OG1 THR A 93 -28.298 -11.042 -5.587 1.00 0.00 O ATOM 1468 CG2 THR A 93 -30.573 -11.836 -5.498 1.00 0.00 C ATOM 0 H THR A 93 -26.994 -13.896 -4.930 1.00 0.00 H new ATOM 0 HA THR A 93 -29.041 -12.364 -3.309 1.00 0.00 H new ATOM 0 HB THR A 93 -28.879 -12.871 -6.334 1.00 0.00 H new ATOM 0 HG1 THR A 93 -28.509 -10.574 -6.422 1.00 0.00 H new ATOM 0 HG21 THR A 93 -30.809 -11.316 -6.427 1.00 0.00 H new ATOM 0 HG22 THR A 93 -31.181 -12.738 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 93 -30.786 -11.182 -4.652 1.00 0.00 H new ATOM 1476 N LEU A 94 -29.430 -15.079 -5.133 1.00 0.00 N ATOM 1477 CA LEU A 94 -30.107 -16.410 -5.109 1.00 0.00 C ATOM 1478 C LEU A 94 -29.084 -17.527 -5.335 1.00 0.00 C ATOM 1479 O LEU A 94 -27.924 -17.210 -5.538 1.00 0.00 O ATOM 1480 CB LEU A 94 -31.115 -16.363 -6.258 1.00 0.00 C ATOM 1481 CG LEU A 94 -32.384 -17.114 -5.854 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -33.570 -16.580 -6.660 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -32.206 -18.607 -6.139 1.00 0.00 C ATOM 1484 OXT LEU A 94 -29.481 -18.681 -5.303 1.00 0.00 O ATOM 0 H LEU A 94 -28.919 -14.870 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 94 -30.590 -16.611 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -31.355 -15.328 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -30.684 -16.811 -7.153 1.00 0.00 H new ATOM 0 HG LEU A 94 -32.570 -16.967 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -34.475 -17.115 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -33.697 -15.516 -6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -33.383 -16.728 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -33.111 -19.143 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -32.020 -18.755 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -31.361 -18.988 -5.566 1.00 0.00 H new TER 1496 LEU A 94