USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 695 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 99:sc= 0.296 USER MOD Set 1.2: A 95 HEM CMB :methyl 150:sc= -1.44 (180deg=-1.44) USER MOD Set 2.1: A 15 HIS : no HD1:sc= -7.16! C(o=-7.2!,f=-9.8!) USER MOD Set 2.2: A 20 SER OG : rot -143:sc= 0.00394 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 180:sc= -1.1 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.29) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00782 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 58:sc= 0.6 USER MOD Single : A 26 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.49) USER MOD Single : A 27 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.27) 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 -126:sc= 0.378 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.457 K(o=-0.46,f=0.42) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.04 K(o=-1,f=-2.1!) USER MOD Single : A 64 SER OG : rot -134:sc= 0.0326 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -4.1 K(o=-4.1,f=-6.5!) USER MOD Single : A 85 SER OG : rot -26:sc= 0.164 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.973 (180deg=-1.76!) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -3.85! (180deg=-9.36!) USER MOD Single : A 95 HEM CMD :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 15.028 12.748 -27.363 1.00 0.00 N ATOM 2 CA VAL A 4 14.578 13.720 -26.382 1.00 0.00 C ATOM 3 C VAL A 4 15.722 14.028 -25.413 1.00 0.00 C ATOM 4 O VAL A 4 16.681 13.265 -25.318 1.00 0.00 O ATOM 5 CB VAL A 4 13.320 13.206 -25.678 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.584 12.965 -24.191 1.00 0.00 C ATOM 7 CG2 VAL A 4 12.148 14.170 -25.877 1.00 0.00 C ATOM 0 HA VAL A 4 14.304 14.656 -26.868 1.00 0.00 H new ATOM 0 HB VAL A 4 13.050 12.251 -26.130 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.674 12.600 -23.714 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.375 12.224 -24.077 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.891 13.899 -23.720 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.267 13.781 -25.367 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.405 15.146 -25.465 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.936 14.271 -26.942 1.00 0.00 H new ATOM 17 N LYS A 5 15.581 15.147 -24.719 1.00 0.00 N ATOM 18 CA LYS A 5 16.589 15.566 -23.762 1.00 0.00 C ATOM 19 C LYS A 5 16.307 14.909 -22.409 1.00 0.00 C ATOM 20 O LYS A 5 15.162 14.868 -21.962 1.00 0.00 O ATOM 21 CB LYS A 5 16.668 17.093 -23.699 1.00 0.00 C ATOM 22 CG LYS A 5 18.123 17.568 -23.703 1.00 0.00 C ATOM 23 CD LYS A 5 18.436 18.363 -24.971 1.00 0.00 C ATOM 24 CE LYS A 5 19.947 18.518 -25.161 1.00 0.00 C ATOM 25 NZ LYS A 5 20.439 19.713 -24.438 1.00 0.00 N ATOM 0 H LYS A 5 14.783 15.777 -24.801 1.00 0.00 H new ATOM 0 HA LYS A 5 17.577 15.232 -24.080 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.139 17.523 -24.549 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.168 17.450 -22.799 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.310 18.187 -22.826 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.790 16.709 -23.634 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.007 17.858 -25.836 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.970 19.347 -24.912 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.459 17.628 -24.796 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.179 18.606 -26.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.466 19.804 -24.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.963 20.562 -24.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.234 19.614 -23.423 1.00 0.00 H new ATOM 39 N TYR A 6 17.371 14.411 -21.796 1.00 0.00 N ATOM 40 CA TYR A 6 17.252 13.758 -20.504 1.00 0.00 C ATOM 41 C TYR A 6 17.411 14.765 -19.362 1.00 0.00 C ATOM 42 O TYR A 6 18.528 15.047 -18.931 1.00 0.00 O ATOM 43 CB TYR A 6 18.396 12.744 -20.436 1.00 0.00 C ATOM 44 CG TYR A 6 18.147 11.470 -21.246 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.896 10.887 -21.248 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.172 10.904 -21.974 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.661 9.688 -22.009 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.938 9.705 -22.737 1.00 0.00 C ATOM 49 CZ TYR A 6 17.694 9.156 -22.716 1.00 0.00 C ATOM 50 OH TYR A 6 17.472 8.023 -23.436 1.00 0.00 O ATOM 0 H TYR A 6 18.319 14.447 -22.170 1.00 0.00 H new ATOM 0 HA TYR A 6 16.272 13.291 -20.400 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.310 13.218 -20.795 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.566 12.473 -19.394 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.093 11.331 -20.678 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.151 11.360 -21.972 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.687 9.222 -22.018 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.732 9.252 -23.312 1.00 0.00 H new ATOM 0 HH TYR A 6 18.298 7.757 -23.891 1.00 0.00 H new ATOM 60 N TYR A 7 16.278 15.280 -18.908 1.00 0.00 N ATOM 61 CA TYR A 7 16.278 16.250 -17.826 1.00 0.00 C ATOM 62 C TYR A 7 15.958 15.579 -16.488 1.00 0.00 C ATOM 63 O TYR A 7 14.980 14.841 -16.378 1.00 0.00 O ATOM 64 CB TYR A 7 15.170 17.251 -18.159 1.00 0.00 C ATOM 65 CG TYR A 7 14.376 16.906 -19.419 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.324 16.015 -19.349 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.711 17.485 -20.626 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.576 15.689 -20.536 1.00 0.00 C ATOM 69 CE2 TYR A 7 13.964 17.159 -21.813 1.00 0.00 C ATOM 70 CZ TYR A 7 12.933 16.278 -21.709 1.00 0.00 C ATOM 71 OH TYR A 7 12.227 15.971 -22.830 1.00 0.00 O ATOM 0 H TYR A 7 15.354 15.044 -19.270 1.00 0.00 H new ATOM 0 HA TYR A 7 17.256 16.723 -17.734 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.483 17.311 -17.315 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.613 18.240 -18.281 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.062 15.562 -18.404 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.534 18.183 -20.680 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.751 14.993 -20.496 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.217 17.604 -22.764 1.00 0.00 H new ATOM 0 HH TYR A 7 12.593 16.466 -23.593 1.00 0.00 H new ATOM 81 N THR A 8 16.801 15.859 -15.505 1.00 0.00 N ATOM 82 CA THR A 8 16.620 15.293 -14.180 1.00 0.00 C ATOM 83 C THR A 8 15.632 16.136 -13.370 1.00 0.00 C ATOM 84 O THR A 8 15.420 17.309 -13.670 1.00 0.00 O ATOM 85 CB THR A 8 17.998 15.174 -13.525 1.00 0.00 C ATOM 86 OG1 THR A 8 18.344 16.517 -13.199 1.00 0.00 O ATOM 87 CG2 THR A 8 19.081 14.741 -14.514 1.00 0.00 C ATOM 0 H THR A 8 17.612 16.471 -15.600 1.00 0.00 H new ATOM 0 HA THR A 8 16.182 14.296 -14.232 1.00 0.00 H new ATOM 0 HB THR A 8 17.949 14.459 -12.704 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.224 16.533 -12.768 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.039 14.672 -13.998 1.00 0.00 H new ATOM 0 HG22 THR A 8 18.824 13.768 -14.933 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.154 15.474 -15.318 1.00 0.00 H new ATOM 95 N LEU A 9 15.054 15.502 -12.359 1.00 0.00 N ATOM 96 CA LEU A 9 14.094 16.178 -11.504 1.00 0.00 C ATOM 97 C LEU A 9 14.510 17.641 -11.335 1.00 0.00 C ATOM 98 O LEU A 9 13.659 18.528 -11.265 1.00 0.00 O ATOM 99 CB LEU A 9 13.935 15.429 -10.180 1.00 0.00 C ATOM 100 CG LEU A 9 13.089 14.155 -10.228 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.312 13.397 -11.538 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.351 13.275 -9.005 1.00 0.00 C ATOM 0 H LEU A 9 15.233 14.528 -12.114 1.00 0.00 H new ATOM 0 HA LEU A 9 13.107 16.177 -11.966 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.927 15.169 -9.811 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.492 16.108 -9.452 1.00 0.00 H new ATOM 0 HG LEU A 9 12.038 14.443 -10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.699 12.496 -11.546 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.033 14.033 -12.378 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.363 13.121 -11.625 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.737 12.377 -9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.404 12.994 -8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.099 13.827 -8.099 1.00 0.00 H new ATOM 114 N GLU A 10 15.817 17.850 -11.277 1.00 0.00 N ATOM 115 CA GLU A 10 16.354 19.190 -11.118 1.00 0.00 C ATOM 116 C GLU A 10 15.501 20.200 -11.890 1.00 0.00 C ATOM 117 O GLU A 10 15.413 21.365 -11.506 1.00 0.00 O ATOM 118 CB GLU A 10 17.816 19.251 -11.569 1.00 0.00 C ATOM 119 CG GLU A 10 18.543 20.426 -10.911 1.00 0.00 C ATOM 120 CD GLU A 10 19.607 21.004 -11.847 1.00 0.00 C ATOM 121 OE1 GLU A 10 20.471 20.213 -12.282 1.00 0.00 O ATOM 122 OE2 GLU A 10 19.532 22.226 -12.105 1.00 0.00 O ATOM 0 H GLU A 10 16.520 17.113 -11.337 1.00 0.00 H new ATOM 0 HA GLU A 10 16.322 19.450 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.319 18.318 -11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 10 17.862 19.351 -12.653 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.824 21.202 -10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 10 19.010 20.096 -9.983 1.00 0.00 H new ATOM 129 N GLU A 11 14.893 19.714 -12.962 1.00 0.00 N ATOM 130 CA GLU A 11 14.050 20.560 -13.791 1.00 0.00 C ATOM 131 C GLU A 11 12.573 20.307 -13.477 1.00 0.00 C ATOM 132 O GLU A 11 11.833 21.238 -13.165 1.00 0.00 O ATOM 133 CB GLU A 11 14.341 20.337 -15.276 1.00 0.00 C ATOM 134 CG GLU A 11 15.843 20.187 -15.524 1.00 0.00 C ATOM 135 CD GLU A 11 16.625 21.320 -14.855 1.00 0.00 C ATOM 136 OE1 GLU A 11 16.713 22.396 -15.485 1.00 0.00 O ATOM 137 OE2 GLU A 11 17.117 21.083 -13.732 1.00 0.00 O ATOM 0 H GLU A 11 14.967 18.746 -13.276 1.00 0.00 H new ATOM 0 HA GLU A 11 14.277 21.601 -13.563 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.821 19.444 -15.622 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.955 21.175 -15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.185 19.227 -15.138 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.040 20.188 -16.596 1.00 0.00 H new ATOM 144 N ILE A 12 12.190 19.042 -13.569 1.00 0.00 N ATOM 145 CA ILE A 12 10.816 18.654 -13.300 1.00 0.00 C ATOM 146 C ILE A 12 10.361 19.289 -11.984 1.00 0.00 C ATOM 147 O ILE A 12 9.225 19.746 -11.871 1.00 0.00 O ATOM 148 CB ILE A 12 10.672 17.132 -13.331 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.058 16.572 -14.702 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.264 16.705 -12.913 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.397 15.834 -14.635 1.00 0.00 C ATOM 0 H ILE A 12 12.808 18.272 -13.826 1.00 0.00 H new ATOM 0 HA ILE A 12 10.154 19.028 -14.081 1.00 0.00 H new ATOM 0 HB ILE A 12 11.365 16.709 -12.604 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.281 15.893 -15.053 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.122 17.384 -15.426 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.189 15.618 -12.944 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.064 17.054 -11.900 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.534 17.138 -13.597 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.648 15.446 -15.622 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.176 16.522 -14.307 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.322 15.007 -13.928 1.00 0.00 H new ATOM 163 N GLN A 13 11.271 19.295 -11.021 1.00 0.00 N ATOM 164 CA GLN A 13 10.978 19.866 -9.718 1.00 0.00 C ATOM 165 C GLN A 13 11.010 21.394 -9.787 1.00 0.00 C ATOM 166 O GLN A 13 10.333 22.068 -9.013 1.00 0.00 O ATOM 167 CB GLN A 13 11.953 19.344 -8.659 1.00 0.00 C ATOM 168 CG GLN A 13 13.398 19.683 -9.030 1.00 0.00 C ATOM 169 CD GLN A 13 14.076 20.489 -7.919 1.00 0.00 C ATOM 170 OE1 GLN A 13 13.497 21.381 -7.322 1.00 0.00 O ATOM 171 NE2 GLN A 13 15.332 20.124 -7.677 1.00 0.00 N ATOM 0 H GLN A 13 12.212 18.913 -11.117 1.00 0.00 H new ATOM 0 HA GLN A 13 9.975 19.557 -9.425 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.711 19.780 -7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.843 18.264 -8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.956 18.764 -9.210 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.414 20.253 -9.959 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.756 19.368 -8.215 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.871 20.600 -6.954 1.00 0.00 H new ATOM 180 N LYS A 14 11.803 21.895 -10.722 1.00 0.00 N ATOM 181 CA LYS A 14 11.932 23.331 -10.903 1.00 0.00 C ATOM 182 C LYS A 14 10.680 23.867 -11.600 1.00 0.00 C ATOM 183 O LYS A 14 10.450 25.075 -11.629 1.00 0.00 O ATOM 184 CB LYS A 14 13.233 23.665 -11.636 1.00 0.00 C ATOM 185 CG LYS A 14 13.789 25.015 -11.179 1.00 0.00 C ATOM 186 CD LYS A 14 13.591 26.082 -12.258 1.00 0.00 C ATOM 187 CE LYS A 14 12.943 27.339 -11.674 1.00 0.00 C ATOM 188 NZ LYS A 14 11.987 27.925 -12.639 1.00 0.00 N ATOM 0 H LYS A 14 12.363 21.332 -11.363 1.00 0.00 H new ATOM 0 HA LYS A 14 12.000 23.831 -9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.970 22.883 -11.451 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.054 23.687 -12.711 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.292 25.325 -10.260 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.850 24.917 -10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.553 26.337 -12.703 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.966 25.684 -13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.427 27.092 -10.746 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.712 28.070 -11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.556 28.777 -12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.489 28.179 -13.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.243 27.231 -12.856 1.00 0.00 H new ATOM 202 N HIS A 15 9.903 22.942 -12.145 1.00 0.00 N ATOM 203 CA HIS A 15 8.680 23.307 -12.839 1.00 0.00 C ATOM 204 C HIS A 15 7.471 22.819 -12.040 1.00 0.00 C ATOM 205 O HIS A 15 6.670 22.029 -12.538 1.00 0.00 O ATOM 206 CB HIS A 15 8.693 22.779 -14.276 1.00 0.00 C ATOM 207 CG HIS A 15 9.774 23.382 -15.141 1.00 0.00 C ATOM 208 ND1 HIS A 15 9.523 23.908 -16.397 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.110 23.539 -14.919 1.00 0.00 C ATOM 210 CE1 HIS A 15 10.664 24.356 -16.899 1.00 0.00 C ATOM 211 NE2 HIS A 15 11.646 24.126 -15.982 1.00 0.00 N ATOM 0 H HIS A 15 10.097 21.941 -12.120 1.00 0.00 H new ATOM 0 HA HIS A 15 8.609 24.392 -12.912 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.821 21.697 -14.254 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.723 22.976 -14.734 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.642 23.237 -14.029 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.793 24.822 -17.865 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.631 24.366 -16.094 1.00 0.00 H new ATOM 219 N LYS A 16 7.376 23.311 -10.813 1.00 0.00 N ATOM 220 CA LYS A 16 6.277 22.935 -9.939 1.00 0.00 C ATOM 221 C LYS A 16 5.347 24.134 -9.751 1.00 0.00 C ATOM 222 O LYS A 16 4.983 24.472 -8.626 1.00 0.00 O ATOM 223 CB LYS A 16 6.810 22.358 -8.626 1.00 0.00 C ATOM 224 CG LYS A 16 5.666 22.056 -7.656 1.00 0.00 C ATOM 225 CD LYS A 16 5.823 22.854 -6.359 1.00 0.00 C ATOM 226 CE LYS A 16 5.445 22.006 -5.144 1.00 0.00 C ATOM 227 NZ LYS A 16 5.810 22.704 -3.890 1.00 0.00 N ATOM 0 H LYS A 16 8.042 23.966 -10.404 1.00 0.00 H new ATOM 0 HA LYS A 16 5.685 22.140 -10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.372 21.446 -8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.503 23.065 -8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.713 22.300 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.647 20.990 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.853 23.197 -6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.193 23.743 -6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.374 21.802 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.954 21.043 -5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.546 22.114 -3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.835 22.877 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.305 23.612 -3.838 1.00 0.00 H new ATOM 241 N ASP A 17 4.989 24.746 -10.870 1.00 0.00 N ATOM 242 CA ASP A 17 4.108 25.902 -10.842 1.00 0.00 C ATOM 243 C ASP A 17 3.157 25.841 -12.039 1.00 0.00 C ATOM 244 O ASP A 17 3.534 25.378 -13.114 1.00 0.00 O ATOM 245 CB ASP A 17 4.906 27.205 -10.939 1.00 0.00 C ATOM 246 CG ASP A 17 4.294 28.393 -10.195 1.00 0.00 C ATOM 247 OD1 ASP A 17 3.515 28.134 -9.253 1.00 0.00 O ATOM 248 OD2 ASP A 17 4.618 29.535 -10.587 1.00 0.00 O ATOM 0 H ASP A 17 5.293 24.464 -11.802 1.00 0.00 H new ATOM 0 HA ASP A 17 3.558 25.885 -9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.909 27.029 -10.550 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.014 27.470 -11.991 1.00 0.00 H new ATOM 253 N SER A 18 1.940 26.313 -11.810 1.00 0.00 N ATOM 254 CA SER A 18 0.931 26.319 -12.856 1.00 0.00 C ATOM 255 C SER A 18 1.576 26.643 -14.205 1.00 0.00 C ATOM 256 O SER A 18 1.352 25.941 -15.189 1.00 0.00 O ATOM 257 CB SER A 18 -0.180 27.322 -12.543 1.00 0.00 C ATOM 258 OG SER A 18 0.331 28.634 -12.322 1.00 0.00 O ATOM 0 H SER A 18 1.630 26.694 -10.916 1.00 0.00 H new ATOM 0 HA SER A 18 0.484 25.326 -12.905 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.891 27.344 -13.369 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.727 26.993 -11.660 1.00 0.00 H new ATOM 0 HG SER A 18 -0.410 29.245 -12.127 1.00 0.00 H new ATOM 264 N LYS A 19 2.365 27.707 -14.206 1.00 0.00 N ATOM 265 CA LYS A 19 3.044 28.134 -15.418 1.00 0.00 C ATOM 266 C LYS A 19 3.621 26.909 -16.131 1.00 0.00 C ATOM 267 O LYS A 19 3.336 26.678 -17.306 1.00 0.00 O ATOM 268 CB LYS A 19 4.086 29.207 -15.098 1.00 0.00 C ATOM 269 CG LYS A 19 4.630 29.842 -16.380 1.00 0.00 C ATOM 270 CD LYS A 19 3.565 30.705 -17.058 1.00 0.00 C ATOM 271 CE LYS A 19 3.419 30.334 -18.536 1.00 0.00 C ATOM 272 NZ LYS A 19 4.491 30.966 -19.338 1.00 0.00 N ATOM 0 H LYS A 19 2.549 28.286 -13.387 1.00 0.00 H new ATOM 0 HA LYS A 19 2.340 28.602 -16.106 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.640 29.976 -14.468 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.905 28.766 -14.530 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.503 30.452 -16.146 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.961 29.061 -17.065 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.609 30.575 -16.550 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.833 31.758 -16.968 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.461 29.251 -18.651 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.444 30.656 -18.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.377 30.704 -20.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.433 32.000 -19.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.418 30.639 -18.998 1.00 0.00 H new ATOM 286 N SER A 20 4.423 26.156 -15.392 1.00 0.00 N ATOM 287 CA SER A 20 5.042 24.962 -15.940 1.00 0.00 C ATOM 288 C SER A 20 4.996 23.830 -14.911 1.00 0.00 C ATOM 289 O SER A 20 5.672 23.890 -13.886 1.00 0.00 O ATOM 290 CB SER A 20 6.486 25.235 -16.364 1.00 0.00 C ATOM 291 OG SER A 20 6.698 24.960 -17.745 1.00 0.00 O ATOM 0 H SER A 20 4.658 26.350 -14.419 1.00 0.00 H new ATOM 0 HA SER A 20 4.482 24.663 -16.826 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.733 26.277 -16.160 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.161 24.624 -15.765 1.00 0.00 H new ATOM 0 HG SER A 20 7.590 24.574 -17.869 1.00 0.00 H new ATOM 297 N THR A 21 4.191 22.824 -15.220 1.00 0.00 N ATOM 298 CA THR A 21 4.048 21.680 -14.336 1.00 0.00 C ATOM 299 C THR A 21 3.997 20.383 -15.145 1.00 0.00 C ATOM 300 O THR A 21 3.202 20.259 -16.075 1.00 0.00 O ATOM 301 CB THR A 21 2.807 21.905 -13.469 1.00 0.00 C ATOM 302 OG1 THR A 21 3.258 22.783 -12.440 1.00 0.00 O ATOM 303 CG2 THR A 21 2.380 20.642 -12.719 1.00 0.00 C ATOM 0 H THR A 21 3.631 22.778 -16.071 1.00 0.00 H new ATOM 0 HA THR A 21 4.910 21.580 -13.676 1.00 0.00 H new ATOM 0 HB THR A 21 1.985 22.251 -14.095 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.611 23.604 -12.842 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.495 20.857 -12.119 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.150 19.854 -13.436 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.190 20.315 -12.067 1.00 0.00 H new ATOM 311 N TRP A 22 4.855 19.449 -14.761 1.00 0.00 N ATOM 312 CA TRP A 22 4.917 18.166 -15.439 1.00 0.00 C ATOM 313 C TRP A 22 4.744 17.067 -14.389 1.00 0.00 C ATOM 314 O TRP A 22 4.542 17.356 -13.210 1.00 0.00 O ATOM 315 CB TRP A 22 6.214 18.030 -16.238 1.00 0.00 C ATOM 316 CG TRP A 22 6.695 19.337 -16.871 1.00 0.00 C ATOM 317 CD1 TRP A 22 5.956 20.298 -17.440 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.061 19.790 -16.978 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.742 21.334 -17.904 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.063 21.014 -17.614 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.256 19.184 -16.551 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.232 21.739 -17.880 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.415 19.920 -16.825 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.434 21.155 -17.464 1.00 0.00 C ATOM 0 H TRP A 22 5.513 19.556 -13.989 1.00 0.00 H new ATOM 0 HA TRP A 22 4.114 18.078 -16.171 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.995 17.648 -15.581 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.068 17.289 -17.024 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.880 20.267 -17.525 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.414 22.178 -18.373 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.278 18.227 -16.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.207 22.697 -18.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.361 19.499 -16.518 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.372 21.661 -17.638 1.00 0.00 H new ATOM 335 N VAL A 23 4.828 15.829 -14.854 1.00 0.00 N ATOM 336 CA VAL A 23 4.684 14.686 -13.969 1.00 0.00 C ATOM 337 C VAL A 23 5.335 13.461 -14.615 1.00 0.00 C ATOM 338 O VAL A 23 4.835 12.939 -15.610 1.00 0.00 O ATOM 339 CB VAL A 23 3.207 14.469 -13.632 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.657 15.634 -12.806 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.380 14.258 -14.901 1.00 0.00 C ATOM 0 H VAL A 23 4.994 15.593 -15.832 1.00 0.00 H new ATOM 0 HA VAL A 23 5.197 14.867 -13.024 1.00 0.00 H new ATOM 0 HB VAL A 23 3.130 13.564 -13.029 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.606 15.455 -12.580 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.219 15.718 -11.876 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.754 16.560 -13.373 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.334 14.106 -14.633 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.467 15.135 -15.542 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.749 13.382 -15.434 1.00 0.00 H new ATOM 351 N ILE A 24 6.442 13.037 -14.022 1.00 0.00 N ATOM 352 CA ILE A 24 7.167 11.885 -14.527 1.00 0.00 C ATOM 353 C ILE A 24 6.324 10.625 -14.316 1.00 0.00 C ATOM 354 O ILE A 24 5.976 10.289 -13.185 1.00 0.00 O ATOM 355 CB ILE A 24 8.557 11.806 -13.893 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.507 11.081 -12.547 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.184 13.197 -13.772 1.00 0.00 C ATOM 358 CD1 ILE A 24 8.733 9.579 -12.725 1.00 0.00 C ATOM 0 H ILE A 24 6.854 13.472 -13.196 1.00 0.00 H new ATOM 0 HA ILE A 24 7.336 11.982 -15.600 1.00 0.00 H new ATOM 0 HB ILE A 24 9.199 11.219 -14.550 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.267 11.490 -11.881 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.541 11.253 -12.073 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.172 13.113 -13.318 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.277 13.642 -14.763 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.551 13.828 -13.149 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.693 9.087 -11.753 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.958 9.169 -13.372 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.710 9.409 -13.177 1.00 0.00 H new ATOM 370 N LEU A 25 6.020 9.963 -15.423 1.00 0.00 N ATOM 371 CA LEU A 25 5.224 8.748 -15.374 1.00 0.00 C ATOM 372 C LEU A 25 5.771 7.744 -16.390 1.00 0.00 C ATOM 373 O LEU A 25 6.322 8.135 -17.419 1.00 0.00 O ATOM 374 CB LEU A 25 3.742 9.071 -15.565 1.00 0.00 C ATOM 375 CG LEU A 25 3.362 9.716 -16.899 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.850 8.667 -17.889 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.355 10.849 -16.694 1.00 0.00 C ATOM 0 H LEU A 25 6.311 10.245 -16.359 1.00 0.00 H new ATOM 0 HA LEU A 25 5.300 8.281 -14.392 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.172 8.148 -15.455 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.429 9.736 -14.760 1.00 0.00 H new ATOM 0 HG LEU A 25 4.259 10.158 -17.332 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.587 9.152 -18.829 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.629 7.926 -18.069 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.969 8.175 -17.475 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.102 11.290 -17.658 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.452 10.454 -16.228 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.792 11.612 -16.050 1.00 0.00 H new ATOM 389 N HIS A 26 5.600 6.471 -16.067 1.00 0.00 N ATOM 390 CA HIS A 26 6.070 5.407 -16.939 1.00 0.00 C ATOM 391 C HIS A 26 7.478 5.736 -17.437 1.00 0.00 C ATOM 392 O HIS A 26 7.870 5.316 -18.525 1.00 0.00 O ATOM 393 CB HIS A 26 5.079 5.164 -18.080 1.00 0.00 C ATOM 394 CG HIS A 26 5.309 3.872 -18.826 1.00 0.00 C ATOM 395 ND1 HIS A 26 5.751 2.716 -18.207 1.00 0.00 N ATOM 396 CD2 HIS A 26 5.152 3.565 -20.146 1.00 0.00 C ATOM 397 CE1 HIS A 26 5.852 1.763 -19.121 1.00 0.00 C ATOM 398 NE2 HIS A 26 5.481 2.291 -20.323 1.00 0.00 N ATOM 0 H HIS A 26 5.142 6.152 -15.213 1.00 0.00 H new ATOM 0 HA HIS A 26 6.129 4.473 -16.381 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.067 5.163 -17.675 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.140 5.994 -18.784 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.817 4.243 -20.917 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.172 0.746 -18.946 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.460 1.790 -21.211 1.00 0.00 H new ATOM 406 N HIS A 27 8.201 6.486 -16.617 1.00 0.00 N ATOM 407 CA HIS A 27 9.559 6.876 -16.960 1.00 0.00 C ATOM 408 C HIS A 27 9.527 7.880 -18.114 1.00 0.00 C ATOM 409 O HIS A 27 10.332 7.792 -19.039 1.00 0.00 O ATOM 410 CB HIS A 27 10.416 5.646 -17.267 1.00 0.00 C ATOM 411 CG HIS A 27 10.170 4.480 -16.340 1.00 0.00 C ATOM 412 ND1 HIS A 27 10.086 4.618 -14.966 1.00 0.00 N ATOM 413 CD2 HIS A 27 9.993 3.154 -16.605 1.00 0.00 C ATOM 414 CE1 HIS A 27 9.867 3.424 -14.437 1.00 0.00 C ATOM 415 NE2 HIS A 27 9.810 2.517 -15.455 1.00 0.00 N ATOM 0 H HIS A 27 7.872 6.834 -15.716 1.00 0.00 H new ATOM 0 HA HIS A 27 10.027 7.369 -16.108 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.224 5.329 -18.292 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.468 5.926 -17.211 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.000 2.699 -17.585 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.754 3.206 -13.385 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.653 1.515 -15.350 1.00 0.00 H new ATOM 423 N LYS A 28 8.589 8.811 -18.020 1.00 0.00 N ATOM 424 CA LYS A 28 8.443 9.832 -19.044 1.00 0.00 C ATOM 425 C LYS A 28 7.654 11.011 -18.474 1.00 0.00 C ATOM 426 O LYS A 28 6.512 10.850 -18.044 1.00 0.00 O ATOM 427 CB LYS A 28 7.826 9.233 -20.311 1.00 0.00 C ATOM 428 CG LYS A 28 6.992 7.994 -19.983 1.00 0.00 C ATOM 429 CD LYS A 28 6.732 7.161 -21.238 1.00 0.00 C ATOM 430 CE LYS A 28 8.006 6.452 -21.701 1.00 0.00 C ATOM 431 NZ LYS A 28 7.769 5.733 -22.972 1.00 0.00 N ATOM 0 H LYS A 28 7.923 8.880 -17.251 1.00 0.00 H new ATOM 0 HA LYS A 28 9.419 10.216 -19.342 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.199 9.978 -20.801 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.616 8.968 -21.014 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.511 7.388 -19.241 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.043 8.297 -19.540 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.955 6.424 -21.035 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.360 7.805 -22.035 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.806 7.180 -21.833 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.336 5.750 -20.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.645 5.258 -23.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.020 5.025 -22.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.476 6.410 -23.705 1.00 0.00 H new ATOM 445 N VAL A 29 8.293 12.172 -18.487 1.00 0.00 N ATOM 446 CA VAL A 29 7.664 13.379 -17.976 1.00 0.00 C ATOM 447 C VAL A 29 6.770 13.981 -19.062 1.00 0.00 C ATOM 448 O VAL A 29 7.146 14.019 -20.233 1.00 0.00 O ATOM 449 CB VAL A 29 8.732 14.352 -17.474 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.761 14.649 -18.567 1.00 0.00 C ATOM 451 CG2 VAL A 29 8.097 15.643 -16.954 1.00 0.00 C ATOM 0 H VAL A 29 9.240 12.303 -18.843 1.00 0.00 H new ATOM 0 HA VAL A 29 7.027 13.147 -17.122 1.00 0.00 H new ATOM 0 HB VAL A 29 9.253 13.877 -16.643 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.509 15.343 -18.184 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.248 13.722 -18.870 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.260 15.094 -19.427 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.878 16.317 -16.603 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.538 16.123 -17.757 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.422 15.410 -16.130 1.00 0.00 H new ATOM 461 N TYR A 30 5.601 14.437 -18.635 1.00 0.00 N ATOM 462 CA TYR A 30 4.651 15.036 -19.555 1.00 0.00 C ATOM 463 C TYR A 30 4.359 16.489 -19.174 1.00 0.00 C ATOM 464 O TYR A 30 4.177 16.801 -17.999 1.00 0.00 O ATOM 465 CB TYR A 30 3.364 14.219 -19.423 1.00 0.00 C ATOM 466 CG TYR A 30 3.416 12.858 -20.121 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.427 11.968 -19.821 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.452 12.520 -21.048 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.477 10.687 -20.478 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.501 11.240 -21.705 1.00 0.00 C ATOM 471 CZ TYR A 30 3.511 10.386 -21.386 1.00 0.00 C ATOM 472 OH TYR A 30 3.558 9.176 -22.007 1.00 0.00 O ATOM 0 H TYR A 30 5.291 14.403 -17.664 1.00 0.00 H new ATOM 0 HA TYR A 30 5.047 15.033 -20.571 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.150 14.065 -18.365 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.536 14.796 -19.835 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.181 12.232 -19.094 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.660 13.216 -21.281 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.264 9.982 -20.254 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.754 10.964 -22.434 1.00 0.00 H new ATOM 0 HH TYR A 30 2.804 9.098 -22.629 1.00 0.00 H new ATOM 482 N ASP A 31 4.324 17.338 -20.191 1.00 0.00 N ATOM 483 CA ASP A 31 4.058 18.750 -19.978 1.00 0.00 C ATOM 484 C ASP A 31 2.551 19.000 -20.070 1.00 0.00 C ATOM 485 O ASP A 31 2.061 19.501 -21.081 1.00 0.00 O ATOM 486 CB ASP A 31 4.745 19.607 -21.043 1.00 0.00 C ATOM 487 CG ASP A 31 4.453 21.106 -20.954 1.00 0.00 C ATOM 488 OD1 ASP A 31 3.324 21.441 -20.534 1.00 0.00 O ATOM 489 OD2 ASP A 31 5.365 21.885 -21.308 1.00 0.00 O ATOM 0 H ASP A 31 4.476 17.075 -21.165 1.00 0.00 H new ATOM 0 HA ASP A 31 4.442 19.021 -18.994 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.822 19.457 -20.969 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.440 19.251 -22.027 1.00 0.00 H new ATOM 494 N LEU A 32 1.858 18.642 -18.999 1.00 0.00 N ATOM 495 CA LEU A 32 0.417 18.822 -18.946 1.00 0.00 C ATOM 496 C LEU A 32 0.101 20.220 -18.412 1.00 0.00 C ATOM 497 O LEU A 32 -0.998 20.465 -17.915 1.00 0.00 O ATOM 498 CB LEU A 32 -0.234 17.694 -18.142 1.00 0.00 C ATOM 499 CG LEU A 32 0.531 17.226 -16.902 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.427 16.696 -15.833 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.600 16.196 -17.274 1.00 0.00 C ATOM 0 H LEU A 32 2.267 18.228 -18.161 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.012 18.759 -19.946 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.226 18.022 -17.830 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.374 16.838 -18.802 1.00 0.00 H new ATOM 0 HG LEU A 32 1.046 18.086 -16.474 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.143 16.370 -14.963 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.118 17.486 -15.539 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.990 15.853 -16.234 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.129 15.880 -16.375 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.126 15.332 -17.739 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.307 16.642 -17.973 1.00 0.00 H new ATOM 513 N THR A 33 1.084 21.100 -18.531 1.00 0.00 N ATOM 514 CA THR A 33 0.924 22.468 -18.067 1.00 0.00 C ATOM 515 C THR A 33 -0.032 23.234 -18.983 1.00 0.00 C ATOM 516 O THR A 33 -0.639 24.220 -18.568 1.00 0.00 O ATOM 517 CB THR A 33 2.314 23.100 -17.973 1.00 0.00 C ATOM 518 OG1 THR A 33 2.183 24.075 -16.941 1.00 0.00 O ATOM 519 CG2 THR A 33 2.670 23.918 -19.215 1.00 0.00 C ATOM 0 H THR A 33 1.994 20.893 -18.942 1.00 0.00 H new ATOM 0 HA THR A 33 0.469 22.500 -17.077 1.00 0.00 H new ATOM 0 HB THR A 33 3.059 22.318 -17.828 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.484 24.946 -17.274 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.666 24.344 -19.097 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.654 23.272 -20.093 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.944 24.721 -19.342 1.00 0.00 H new ATOM 527 N LYS A 34 -0.136 22.751 -20.213 1.00 0.00 N ATOM 528 CA LYS A 34 -1.008 23.378 -21.191 1.00 0.00 C ATOM 529 C LYS A 34 -2.422 22.813 -21.045 1.00 0.00 C ATOM 530 O LYS A 34 -3.389 23.567 -20.950 1.00 0.00 O ATOM 531 CB LYS A 34 -0.429 23.228 -22.599 1.00 0.00 C ATOM 532 CG LYS A 34 -1.024 24.268 -23.552 1.00 0.00 C ATOM 533 CD LYS A 34 -0.535 25.675 -23.203 1.00 0.00 C ATOM 534 CE LYS A 34 -1.578 26.427 -22.373 1.00 0.00 C ATOM 535 NZ LYS A 34 -1.794 27.785 -22.920 1.00 0.00 N ATOM 0 H LYS A 34 0.369 21.933 -20.554 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.073 24.451 -21.010 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.655 23.340 -22.564 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.634 22.226 -22.975 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.747 24.027 -24.578 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.112 24.234 -23.500 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.401 25.611 -22.647 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.325 26.229 -24.118 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.518 25.875 -22.372 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.247 26.494 -21.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.504 28.282 -22.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.899 28.314 -22.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.130 27.714 -23.902 1.00 0.00 H new ATOM 549 N PHE A 35 -2.499 21.490 -21.031 1.00 0.00 N ATOM 550 CA PHE A 35 -3.778 20.816 -20.897 1.00 0.00 C ATOM 551 C PHE A 35 -4.160 20.650 -19.425 1.00 0.00 C ATOM 552 O PHE A 35 -5.096 19.921 -19.101 1.00 0.00 O ATOM 553 CB PHE A 35 -3.622 19.432 -21.530 1.00 0.00 C ATOM 554 CG PHE A 35 -3.955 18.275 -20.586 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.068 17.902 -19.626 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.141 17.619 -20.707 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.377 16.829 -18.750 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.451 16.545 -19.831 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.563 16.173 -18.871 1.00 0.00 C ATOM 0 H PHE A 35 -1.695 20.867 -21.110 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.559 21.401 -21.383 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.267 19.370 -22.406 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.596 19.318 -21.881 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.127 18.423 -19.530 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.847 17.915 -21.469 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.671 16.533 -17.988 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.392 16.024 -19.927 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.799 15.357 -18.204 1.00 0.00 H new ATOM 569 N LEU A 36 -3.415 21.341 -18.573 1.00 0.00 N ATOM 570 CA LEU A 36 -3.664 21.279 -17.143 1.00 0.00 C ATOM 571 C LEU A 36 -5.089 21.755 -16.856 1.00 0.00 C ATOM 572 O LEU A 36 -5.813 21.131 -16.081 1.00 0.00 O ATOM 573 CB LEU A 36 -2.591 22.057 -16.379 1.00 0.00 C ATOM 574 CG LEU A 36 -2.015 21.366 -15.142 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.491 21.499 -15.098 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.673 21.888 -13.864 1.00 0.00 C ATOM 0 H LEU A 36 -2.640 21.946 -18.846 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.594 20.251 -16.789 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.771 22.275 -17.064 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.013 23.014 -16.073 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.243 20.302 -15.209 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.108 20.999 -14.209 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.060 21.039 -15.987 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.219 22.554 -15.067 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.245 21.380 -13.000 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.499 22.960 -13.777 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.745 21.697 -13.903 1.00 0.00 H new ATOM 588 N GLU A 37 -5.452 22.856 -17.497 1.00 0.00 N ATOM 589 CA GLU A 37 -6.778 23.423 -17.321 1.00 0.00 C ATOM 590 C GLU A 37 -7.807 22.625 -18.125 1.00 0.00 C ATOM 591 O GLU A 37 -8.993 22.631 -17.799 1.00 0.00 O ATOM 592 CB GLU A 37 -6.800 24.901 -17.718 1.00 0.00 C ATOM 593 CG GLU A 37 -7.881 25.660 -16.946 1.00 0.00 C ATOM 594 CD GLU A 37 -8.986 26.146 -17.885 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.645 26.901 -18.821 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.148 25.751 -17.646 1.00 0.00 O ATOM 0 H GLU A 37 -4.850 23.371 -18.140 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.041 23.360 -16.265 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.826 25.349 -17.522 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.982 24.991 -18.789 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.308 25.013 -16.180 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.435 26.511 -16.431 1.00 0.00 H new ATOM 603 N GLU A 38 -7.316 21.959 -19.158 1.00 0.00 N ATOM 604 CA GLU A 38 -8.178 21.157 -20.011 1.00 0.00 C ATOM 605 C GLU A 38 -8.442 19.794 -19.367 1.00 0.00 C ATOM 606 O GLU A 38 -9.267 19.023 -19.854 1.00 0.00 O ATOM 607 CB GLU A 38 -7.574 20.997 -21.407 1.00 0.00 C ATOM 608 CG GLU A 38 -8.081 22.088 -22.352 1.00 0.00 C ATOM 609 CD GLU A 38 -9.281 21.595 -23.164 1.00 0.00 C ATOM 610 OE1 GLU A 38 -10.242 21.118 -22.524 1.00 0.00 O ATOM 611 OE2 GLU A 38 -9.208 21.706 -24.408 1.00 0.00 O ATOM 0 H GLU A 38 -6.332 21.957 -19.425 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.131 21.675 -20.122 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.487 21.042 -21.344 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.830 20.016 -21.808 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.364 22.970 -21.777 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.280 22.391 -23.027 1.00 0.00 H new ATOM 618 N HIS A 39 -7.725 19.539 -18.283 1.00 0.00 N ATOM 619 CA HIS A 39 -7.870 18.283 -17.568 1.00 0.00 C ATOM 620 C HIS A 39 -9.029 18.389 -16.575 1.00 0.00 C ATOM 621 O HIS A 39 -9.127 19.364 -15.832 1.00 0.00 O ATOM 622 CB HIS A 39 -6.553 17.880 -16.902 1.00 0.00 C ATOM 623 CG HIS A 39 -6.572 16.502 -16.287 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.470 16.287 -14.923 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.682 15.269 -16.863 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.518 14.983 -14.699 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.649 14.353 -15.902 1.00 0.00 N ATOM 0 H HIS A 39 -7.041 20.181 -17.882 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.111 17.486 -18.272 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.755 17.925 -17.643 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.311 18.609 -16.128 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.374 17.011 -14.211 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.779 15.072 -17.920 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.463 14.502 -13.733 1.00 0.00 H new ATOM 635 N PRO A 40 -9.900 17.344 -16.593 1.00 0.00 N ATOM 636 CA PRO A 40 -11.048 17.310 -15.703 1.00 0.00 C ATOM 637 C PRO A 40 -10.622 16.975 -14.271 1.00 0.00 C ATOM 638 O PRO A 40 -11.397 17.152 -13.333 1.00 0.00 O ATOM 639 CB PRO A 40 -11.981 16.273 -16.304 1.00 0.00 C ATOM 640 CG PRO A 40 -11.125 15.434 -17.239 1.00 0.00 C ATOM 641 CD PRO A 40 -9.815 16.172 -17.459 1.00 0.00 C ATOM 0 HA PRO A 40 -11.547 18.276 -15.623 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.431 15.655 -15.527 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.798 16.750 -16.845 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.941 14.450 -16.808 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.638 15.276 -18.188 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.960 15.548 -17.198 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.693 16.459 -18.503 1.00 0.00 H new ATOM 649 N GLY A 41 -9.392 16.497 -14.151 1.00 0.00 N ATOM 650 CA GLY A 41 -8.854 16.136 -12.850 1.00 0.00 C ATOM 651 C GLY A 41 -8.879 17.331 -11.895 1.00 0.00 C ATOM 652 O GLY A 41 -9.767 17.436 -11.050 1.00 0.00 O ATOM 0 H GLY A 41 -8.753 16.351 -14.933 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.435 15.316 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.831 15.777 -12.962 1.00 0.00 H new ATOM 656 N GLY A 42 -7.895 18.201 -12.061 1.00 0.00 N ATOM 657 CA GLY A 42 -7.792 19.384 -11.224 1.00 0.00 C ATOM 658 C GLY A 42 -6.662 20.298 -11.702 1.00 0.00 C ATOM 659 O GLY A 42 -6.148 20.130 -12.807 1.00 0.00 O ATOM 0 H GLY A 42 -7.161 18.111 -12.763 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.736 19.928 -11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.612 19.088 -10.190 1.00 0.00 H new ATOM 663 N GLU A 43 -6.308 21.246 -10.846 1.00 0.00 N ATOM 664 CA GLU A 43 -5.249 22.186 -11.167 1.00 0.00 C ATOM 665 C GLU A 43 -4.118 22.081 -10.141 1.00 0.00 C ATOM 666 O GLU A 43 -3.021 22.592 -10.367 1.00 0.00 O ATOM 667 CB GLU A 43 -5.788 23.616 -11.244 1.00 0.00 C ATOM 668 CG GLU A 43 -4.669 24.636 -11.027 1.00 0.00 C ATOM 669 CD GLU A 43 -5.224 26.062 -11.010 1.00 0.00 C ATOM 670 OE1 GLU A 43 -5.787 26.464 -12.052 1.00 0.00 O ATOM 671 OE2 GLU A 43 -5.072 26.718 -9.958 1.00 0.00 O ATOM 0 H GLU A 43 -6.736 21.383 -9.930 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.849 21.931 -12.148 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.252 23.782 -12.216 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.564 23.757 -10.492 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.160 24.429 -10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.926 24.540 -11.819 1.00 0.00 H new ATOM 678 N GLU A 44 -4.423 21.416 -9.037 1.00 0.00 N ATOM 679 CA GLU A 44 -3.447 21.239 -7.976 1.00 0.00 C ATOM 680 C GLU A 44 -3.075 19.761 -7.838 1.00 0.00 C ATOM 681 O GLU A 44 -1.971 19.432 -7.410 1.00 0.00 O ATOM 682 CB GLU A 44 -3.968 21.799 -6.651 1.00 0.00 C ATOM 683 CG GLU A 44 -5.237 21.069 -6.209 1.00 0.00 C ATOM 684 CD GLU A 44 -6.468 21.967 -6.365 1.00 0.00 C ATOM 685 OE1 GLU A 44 -6.328 23.176 -6.081 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.520 21.423 -6.763 1.00 0.00 O ATOM 0 H GLU A 44 -5.333 20.993 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.549 21.797 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.201 21.699 -5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.175 22.864 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.365 20.163 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.139 20.758 -5.169 1.00 0.00 H new ATOM 693 N VAL A 45 -4.022 18.910 -8.209 1.00 0.00 N ATOM 694 CA VAL A 45 -3.808 17.474 -8.133 1.00 0.00 C ATOM 695 C VAL A 45 -2.778 17.059 -9.184 1.00 0.00 C ATOM 696 O VAL A 45 -1.895 16.250 -8.907 1.00 0.00 O ATOM 697 CB VAL A 45 -5.142 16.738 -8.278 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.113 17.533 -9.153 1.00 0.00 C ATOM 699 CG2 VAL A 45 -4.932 15.328 -8.834 1.00 0.00 C ATOM 0 H VAL A 45 -4.938 19.187 -8.562 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.405 17.199 -7.158 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.584 16.645 -7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.053 16.989 -9.240 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.298 18.507 -8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.680 17.671 -10.144 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.895 14.826 -8.927 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.459 15.390 -9.814 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.292 14.762 -8.157 1.00 0.00 H new ATOM 709 N LEU A 46 -2.926 17.632 -10.370 1.00 0.00 N ATOM 710 CA LEU A 46 -2.019 17.331 -11.464 1.00 0.00 C ATOM 711 C LEU A 46 -0.601 17.752 -11.077 1.00 0.00 C ATOM 712 O LEU A 46 0.342 16.973 -11.213 1.00 0.00 O ATOM 713 CB LEU A 46 -2.517 17.971 -12.763 1.00 0.00 C ATOM 714 CG LEU A 46 -4.035 18.080 -12.918 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.409 18.576 -14.316 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.718 16.754 -12.578 1.00 0.00 C ATOM 0 H LEU A 46 -3.660 18.303 -10.597 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.993 16.258 -11.652 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.091 18.972 -12.838 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.127 17.395 -13.602 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.399 18.821 -12.206 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.494 18.645 -14.400 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.969 19.559 -14.483 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.031 17.878 -15.063 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.796 16.859 -12.696 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.354 15.975 -13.248 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.491 16.482 -11.547 1.00 0.00 H new ATOM 728 N ARG A 47 -0.492 18.984 -10.600 1.00 0.00 N ATOM 729 CA ARG A 47 0.796 19.518 -10.191 1.00 0.00 C ATOM 730 C ARG A 47 1.222 18.909 -8.854 1.00 0.00 C ATOM 731 O ARG A 47 2.411 18.850 -8.544 1.00 0.00 O ATOM 732 CB ARG A 47 0.744 21.041 -10.057 1.00 0.00 C ATOM 733 CG ARG A 47 -0.458 21.476 -9.218 1.00 0.00 C ATOM 734 CD ARG A 47 -0.307 22.926 -8.752 1.00 0.00 C ATOM 735 NE ARG A 47 0.480 22.976 -7.499 1.00 0.00 N ATOM 736 CZ ARG A 47 -0.038 23.275 -6.300 1.00 0.00 C ATOM 737 NH1 ARG A 47 -1.343 23.554 -6.184 1.00 0.00 N ATOM 738 NH2 ARG A 47 0.751 23.296 -5.217 1.00 0.00 N ATOM 0 H ARG A 47 -1.275 19.628 -10.488 1.00 0.00 H new ATOM 0 HA ARG A 47 1.522 19.258 -10.961 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.664 21.401 -9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.685 21.495 -11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.371 21.372 -9.804 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.558 20.821 -8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.186 23.515 -9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.290 23.369 -8.592 1.00 0.00 H new ATOM 0 HE ARG A 47 1.478 22.770 -7.552 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.943 23.539 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.737 23.782 -5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.745 23.085 -5.306 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.358 23.524 -4.304 1.00 0.00 H new ATOM 752 N GLU A 48 0.228 18.471 -8.095 1.00 0.00 N ATOM 753 CA GLU A 48 0.484 17.869 -6.798 1.00 0.00 C ATOM 754 C GLU A 48 1.664 16.899 -6.887 1.00 0.00 C ATOM 755 O GLU A 48 2.371 16.684 -5.904 1.00 0.00 O ATOM 756 CB GLU A 48 -0.765 17.166 -6.263 1.00 0.00 C ATOM 757 CG GLU A 48 -1.130 17.683 -4.870 1.00 0.00 C ATOM 758 CD GLU A 48 -1.368 19.195 -4.890 1.00 0.00 C ATOM 759 OE1 GLU A 48 -0.370 19.928 -4.722 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.543 19.581 -5.074 1.00 0.00 O ATOM 0 H GLU A 48 -0.757 18.521 -8.354 1.00 0.00 H new ATOM 0 HA GLU A 48 0.743 18.662 -6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.599 17.329 -6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.592 16.091 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.026 17.175 -4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.329 17.447 -4.169 1.00 0.00 H new ATOM 767 N GLN A 49 1.840 16.339 -8.076 1.00 0.00 N ATOM 768 CA GLN A 49 2.922 15.397 -8.305 1.00 0.00 C ATOM 769 C GLN A 49 3.874 15.934 -9.376 1.00 0.00 C ATOM 770 O GLN A 49 4.348 15.179 -10.224 1.00 0.00 O ATOM 771 CB GLN A 49 2.377 14.022 -8.695 1.00 0.00 C ATOM 772 CG GLN A 49 1.607 13.388 -7.536 1.00 0.00 C ATOM 773 CD GLN A 49 2.556 12.965 -6.413 1.00 0.00 C ATOM 774 OE1 GLN A 49 3.535 12.267 -6.622 1.00 0.00 O ATOM 775 NE2 GLN A 49 2.214 13.425 -5.213 1.00 0.00 N ATOM 0 H GLN A 49 1.252 16.520 -8.890 1.00 0.00 H new ATOM 0 HA GLN A 49 3.480 15.280 -7.376 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.722 14.119 -9.561 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.200 13.371 -8.989 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.875 14.097 -7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.053 12.521 -7.894 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.381 14.005 -5.107 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.784 13.198 -4.398 1.00 0.00 H new ATOM 784 N ALA A 50 4.126 17.233 -9.301 1.00 0.00 N ATOM 785 CA ALA A 50 5.014 17.878 -10.253 1.00 0.00 C ATOM 786 C ALA A 50 6.408 18.009 -9.636 1.00 0.00 C ATOM 787 O ALA A 50 6.938 19.113 -9.521 1.00 0.00 O ATOM 788 CB ALA A 50 4.426 19.231 -10.661 1.00 0.00 C ATOM 0 H ALA A 50 3.731 17.856 -8.596 1.00 0.00 H new ATOM 0 HA ALA A 50 5.110 17.278 -11.158 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.091 19.716 -11.375 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.449 19.080 -11.120 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.319 19.862 -9.779 1.00 0.00 H new ATOM 794 N GLY A 51 6.962 16.867 -9.256 1.00 0.00 N ATOM 795 CA GLY A 51 8.283 16.841 -8.654 1.00 0.00 C ATOM 796 C GLY A 51 8.800 15.407 -8.528 1.00 0.00 C ATOM 797 O GLY A 51 9.994 15.157 -8.691 1.00 0.00 O ATOM 0 H GLY A 51 6.520 15.953 -9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.974 17.429 -9.259 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.247 17.306 -7.669 1.00 0.00 H new ATOM 801 N GLY A 52 7.877 14.503 -8.239 1.00 0.00 N ATOM 802 CA GLY A 52 8.224 13.099 -8.089 1.00 0.00 C ATOM 803 C GLY A 52 7.523 12.245 -9.147 1.00 0.00 C ATOM 804 O GLY A 52 7.591 12.546 -10.338 1.00 0.00 O ATOM 0 H GLY A 52 6.888 14.714 -8.104 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.304 12.976 -8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.942 12.755 -7.094 1.00 0.00 H new ATOM 808 N ASP A 53 6.865 11.197 -8.675 1.00 0.00 N ATOM 809 CA ASP A 53 6.152 10.297 -9.566 1.00 0.00 C ATOM 810 C ASP A 53 4.646 10.472 -9.363 1.00 0.00 C ATOM 811 O ASP A 53 4.143 10.312 -8.251 1.00 0.00 O ATOM 812 CB ASP A 53 6.502 8.837 -9.269 1.00 0.00 C ATOM 813 CG ASP A 53 6.271 8.398 -7.823 1.00 0.00 C ATOM 814 OD1 ASP A 53 5.917 9.280 -7.011 1.00 0.00 O ATOM 815 OD2 ASP A 53 6.453 7.189 -7.562 1.00 0.00 O ATOM 0 H ASP A 53 6.810 10.951 -7.687 1.00 0.00 H new ATOM 0 HA ASP A 53 6.441 10.537 -10.589 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.913 8.197 -9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.550 8.672 -9.520 1.00 0.00 H new ATOM 820 N ALA A 54 3.968 10.799 -10.454 1.00 0.00 N ATOM 821 CA ALA A 54 2.529 10.999 -10.409 1.00 0.00 C ATOM 822 C ALA A 54 1.831 9.774 -11.003 1.00 0.00 C ATOM 823 O ALA A 54 0.620 9.613 -10.857 1.00 0.00 O ATOM 824 CB ALA A 54 2.169 12.289 -11.145 1.00 0.00 C ATOM 0 H ALA A 54 4.388 10.930 -11.374 1.00 0.00 H new ATOM 0 HA ALA A 54 2.188 11.107 -9.379 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.090 12.438 -11.111 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.667 13.132 -10.666 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.493 12.218 -12.183 1.00 0.00 H new ATOM 830 N THR A 55 2.624 8.941 -11.662 1.00 0.00 N ATOM 831 CA THR A 55 2.097 7.736 -12.280 1.00 0.00 C ATOM 832 C THR A 55 1.236 6.959 -11.282 1.00 0.00 C ATOM 833 O THR A 55 0.295 6.270 -11.673 1.00 0.00 O ATOM 834 CB THR A 55 3.277 6.929 -12.823 1.00 0.00 C ATOM 835 OG1 THR A 55 2.729 5.637 -13.071 1.00 0.00 O ATOM 836 CG2 THR A 55 4.353 6.679 -11.763 1.00 0.00 C ATOM 0 H THR A 55 3.628 9.077 -11.781 1.00 0.00 H new ATOM 0 HA THR A 55 1.437 7.974 -13.114 1.00 0.00 H new ATOM 0 HB THR A 55 3.717 7.455 -13.670 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.427 5.048 -13.427 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.168 6.102 -12.201 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.737 7.633 -11.402 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.921 6.123 -10.930 1.00 0.00 H new ATOM 844 N GLU A 56 1.589 7.095 -10.012 1.00 0.00 N ATOM 845 CA GLU A 56 0.861 6.414 -8.956 1.00 0.00 C ATOM 846 C GLU A 56 -0.521 7.045 -8.772 1.00 0.00 C ATOM 847 O GLU A 56 -1.518 6.338 -8.632 1.00 0.00 O ATOM 848 CB GLU A 56 1.651 6.432 -7.645 1.00 0.00 C ATOM 849 CG GLU A 56 2.374 7.767 -7.460 1.00 0.00 C ATOM 850 CD GLU A 56 2.398 8.177 -5.986 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.340 8.642 -5.509 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.473 8.016 -5.369 1.00 0.00 O ATOM 0 H GLU A 56 2.370 7.667 -9.691 1.00 0.00 H new ATOM 0 HA GLU A 56 0.728 5.372 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.976 6.261 -6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.376 5.618 -7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.394 7.688 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.877 8.539 -8.048 1.00 0.00 H new ATOM 859 N ASN A 57 -0.537 8.371 -8.777 1.00 0.00 N ATOM 860 CA ASN A 57 -1.779 9.105 -8.612 1.00 0.00 C ATOM 861 C ASN A 57 -2.510 9.170 -9.954 1.00 0.00 C ATOM 862 O ASN A 57 -3.739 9.197 -9.996 1.00 0.00 O ATOM 863 CB ASN A 57 -1.514 10.538 -8.147 1.00 0.00 C ATOM 864 CG ASN A 57 -1.655 10.658 -6.629 1.00 0.00 C ATOM 865 OD1 ASN A 57 -2.333 9.879 -5.979 1.00 0.00 O ATOM 866 ND2 ASN A 57 -0.978 11.675 -6.101 1.00 0.00 N ATOM 0 H ASN A 57 0.291 8.955 -8.893 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.379 8.588 -7.863 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.511 10.842 -8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.213 11.217 -8.635 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.008 11.840 -5.095 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.430 12.290 -6.703 1.00 0.00 H new ATOM 873 N PHE A 58 -1.722 9.192 -11.020 1.00 0.00 N ATOM 874 CA PHE A 58 -2.279 9.254 -12.361 1.00 0.00 C ATOM 875 C PHE A 58 -2.930 7.924 -12.746 1.00 0.00 C ATOM 876 O PHE A 58 -3.986 7.904 -13.376 1.00 0.00 O ATOM 877 CB PHE A 58 -1.117 9.535 -13.316 1.00 0.00 C ATOM 878 CG PHE A 58 -1.510 9.525 -14.794 1.00 0.00 C ATOM 879 CD1 PHE A 58 -2.679 10.096 -15.191 1.00 0.00 C ATOM 880 CD2 PHE A 58 -0.690 8.946 -15.712 1.00 0.00 C ATOM 881 CE1 PHE A 58 -3.043 10.086 -16.563 1.00 0.00 C ATOM 882 CE2 PHE A 58 -1.054 8.936 -17.084 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.223 9.507 -17.480 1.00 0.00 C ATOM 0 H PHE A 58 -0.703 9.168 -10.982 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.043 10.030 -12.411 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.686 10.506 -13.072 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.338 8.790 -13.153 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.330 10.557 -14.463 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.239 8.494 -15.397 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.972 10.538 -16.879 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.403 8.475 -17.813 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.500 9.501 -18.524 1.00 0.00 H new ATOM 893 N GLU A 59 -2.272 6.844 -12.351 1.00 0.00 N ATOM 894 CA GLU A 59 -2.772 5.513 -12.647 1.00 0.00 C ATOM 895 C GLU A 59 -3.830 5.103 -11.620 1.00 0.00 C ATOM 896 O GLU A 59 -4.571 4.146 -11.836 1.00 0.00 O ATOM 897 CB GLU A 59 -1.631 4.495 -12.695 1.00 0.00 C ATOM 898 CG GLU A 59 -1.163 4.130 -11.284 1.00 0.00 C ATOM 899 CD GLU A 59 -2.076 3.074 -10.659 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.534 2.196 -11.423 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.297 3.170 -9.432 1.00 0.00 O ATOM 0 H GLU A 59 -1.396 6.864 -11.828 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.238 5.533 -13.632 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.962 3.597 -13.216 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.797 4.905 -13.264 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.140 3.755 -11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.152 5.023 -10.658 1.00 0.00 H new ATOM 908 N ASP A 60 -3.864 5.847 -10.525 1.00 0.00 N ATOM 909 CA ASP A 60 -4.818 5.573 -9.463 1.00 0.00 C ATOM 910 C ASP A 60 -6.238 5.637 -10.031 1.00 0.00 C ATOM 911 O ASP A 60 -7.022 4.705 -9.858 1.00 0.00 O ATOM 912 CB ASP A 60 -4.710 6.610 -8.343 1.00 0.00 C ATOM 913 CG ASP A 60 -5.901 6.653 -7.385 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.092 5.645 -6.671 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.594 7.694 -7.387 1.00 0.00 O ATOM 0 H ASP A 60 -3.246 6.640 -10.350 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.599 4.584 -9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.807 6.408 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.588 7.596 -8.792 1.00 0.00 H new ATOM 920 N VAL A 61 -6.526 6.746 -10.696 1.00 0.00 N ATOM 921 CA VAL A 61 -7.837 6.943 -11.290 1.00 0.00 C ATOM 922 C VAL A 61 -8.034 5.939 -12.426 1.00 0.00 C ATOM 923 O VAL A 61 -9.160 5.705 -12.864 1.00 0.00 O ATOM 924 CB VAL A 61 -7.992 8.397 -11.743 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.673 8.945 -12.291 1.00 0.00 C ATOM 926 CG2 VAL A 61 -9.113 8.532 -12.775 1.00 0.00 C ATOM 0 H VAL A 61 -5.874 7.517 -10.837 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.621 6.759 -10.555 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.265 8.992 -10.872 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.811 9.979 -12.606 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.910 8.901 -11.514 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.357 8.345 -13.145 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.203 9.574 -13.081 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.882 7.917 -13.645 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.054 8.201 -12.336 1.00 0.00 H new ATOM 936 N GLY A 62 -6.922 5.371 -12.871 1.00 0.00 N ATOM 937 CA GLY A 62 -6.959 4.397 -13.948 1.00 0.00 C ATOM 938 C GLY A 62 -7.379 5.052 -15.266 1.00 0.00 C ATOM 939 O GLY A 62 -8.538 4.961 -15.667 1.00 0.00 O ATOM 0 H GLY A 62 -5.990 5.567 -12.505 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.977 3.939 -14.062 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.656 3.598 -13.697 1.00 0.00 H new ATOM 943 N HIS A 63 -6.413 5.696 -15.903 1.00 0.00 N ATOM 944 CA HIS A 63 -6.668 6.366 -17.167 1.00 0.00 C ATOM 945 C HIS A 63 -6.753 5.329 -18.289 1.00 0.00 C ATOM 946 O HIS A 63 -5.975 4.377 -18.320 1.00 0.00 O ATOM 947 CB HIS A 63 -5.613 7.443 -17.434 1.00 0.00 C ATOM 948 CG HIS A 63 -5.778 8.685 -16.591 1.00 0.00 C ATOM 949 ND1 HIS A 63 -5.208 8.822 -15.337 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.453 9.844 -16.835 1.00 0.00 C ATOM 951 CE1 HIS A 63 -5.532 10.013 -14.858 1.00 0.00 C ATOM 952 NE2 HIS A 63 -6.305 10.645 -15.788 1.00 0.00 N ATOM 0 H HIS A 63 -5.452 5.768 -15.568 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.627 6.882 -17.122 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.624 7.022 -17.253 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.652 7.723 -18.487 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.635 8.124 -14.862 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.014 10.072 -17.730 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.236 10.414 -13.900 1.00 0.00 H new ATOM 960 N SER A 64 -7.705 5.549 -19.184 1.00 0.00 N ATOM 961 CA SER A 64 -7.902 4.646 -20.305 1.00 0.00 C ATOM 962 C SER A 64 -6.717 4.741 -21.268 1.00 0.00 C ATOM 963 O SER A 64 -6.003 5.743 -21.282 1.00 0.00 O ATOM 964 CB SER A 64 -9.208 4.954 -21.038 1.00 0.00 C ATOM 965 OG SER A 64 -9.686 3.832 -21.775 1.00 0.00 O ATOM 0 H SER A 64 -8.349 6.340 -19.155 1.00 0.00 H new ATOM 0 HA SER A 64 -7.966 3.629 -19.918 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.964 5.262 -20.316 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.054 5.793 -21.716 1.00 0.00 H new ATOM 0 HG SER A 64 -9.955 4.121 -22.672 1.00 0.00 H new ATOM 971 N THR A 65 -6.546 3.686 -22.051 1.00 0.00 N ATOM 972 CA THR A 65 -5.460 3.639 -23.016 1.00 0.00 C ATOM 973 C THR A 65 -5.526 4.847 -23.953 1.00 0.00 C ATOM 974 O THR A 65 -4.548 5.170 -24.624 1.00 0.00 O ATOM 975 CB THR A 65 -5.536 2.297 -23.748 1.00 0.00 C ATOM 976 OG1 THR A 65 -6.842 2.286 -24.318 1.00 0.00 O ATOM 977 CG2 THR A 65 -5.538 1.106 -22.788 1.00 0.00 C ATOM 0 H THR A 65 -7.141 2.857 -22.037 1.00 0.00 H new ATOM 0 HA THR A 65 -4.490 3.703 -22.523 1.00 0.00 H new ATOM 0 HB THR A 65 -4.693 2.209 -24.433 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.976 1.451 -24.813 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.593 0.179 -23.359 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.623 1.114 -22.196 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.400 1.175 -22.124 1.00 0.00 H new ATOM 985 N ASP A 66 -6.690 5.481 -23.968 1.00 0.00 N ATOM 986 CA ASP A 66 -6.896 6.645 -24.812 1.00 0.00 C ATOM 987 C ASP A 66 -6.145 7.838 -24.219 1.00 0.00 C ATOM 988 O ASP A 66 -5.907 8.831 -24.905 1.00 0.00 O ATOM 989 CB ASP A 66 -8.379 7.012 -24.892 1.00 0.00 C ATOM 990 CG ASP A 66 -9.329 5.828 -25.080 1.00 0.00 C ATOM 991 OD1 ASP A 66 -9.078 5.043 -26.019 1.00 0.00 O ATOM 992 OD2 ASP A 66 -10.286 5.734 -24.280 1.00 0.00 O ATOM 0 H ASP A 66 -7.499 5.210 -23.409 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.529 6.407 -25.811 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.657 7.540 -23.980 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.522 7.708 -25.719 1.00 0.00 H new ATOM 997 N VAL A 67 -5.792 7.703 -22.949 1.00 0.00 N ATOM 998 CA VAL A 67 -5.072 8.757 -22.256 1.00 0.00 C ATOM 999 C VAL A 67 -3.650 8.849 -22.811 1.00 0.00 C ATOM 1000 O VAL A 67 -3.049 9.923 -22.815 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.110 8.511 -20.745 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.771 7.966 -20.246 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -5.499 9.785 -19.992 1.00 0.00 C ATOM 0 H VAL A 67 -5.992 6.879 -22.382 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.550 9.722 -22.427 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.873 7.759 -20.546 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.824 7.800 -19.170 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.552 7.024 -20.748 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.982 8.685 -20.463 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.519 9.583 -18.921 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.770 10.568 -20.200 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.486 10.113 -20.318 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.152 7.709 -23.266 1.00 0.00 N ATOM 1014 CA ARG A 68 -1.811 7.647 -23.822 1.00 0.00 C ATOM 1015 C ARG A 68 -1.722 8.500 -25.090 1.00 0.00 C ATOM 1016 O ARG A 68 -0.707 9.151 -25.334 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.420 6.206 -24.157 1.00 0.00 C ATOM 1018 CG ARG A 68 -0.053 6.155 -24.842 1.00 0.00 C ATOM 1019 CD ARG A 68 1.075 6.095 -23.810 1.00 0.00 C ATOM 1020 NE ARG A 68 1.606 4.717 -23.719 1.00 0.00 N ATOM 1021 CZ ARG A 68 2.845 4.414 -23.307 1.00 0.00 C ATOM 1022 NH1 ARG A 68 3.688 5.391 -22.947 1.00 0.00 N ATOM 1023 NH2 ARG A 68 3.240 3.134 -23.257 1.00 0.00 N ATOM 0 H ARG A 68 -3.653 6.821 -23.261 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.122 8.033 -23.071 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.396 5.610 -23.245 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.174 5.763 -24.808 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.001 5.283 -25.494 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.074 7.034 -25.474 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.873 6.783 -24.091 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.705 6.416 -22.836 1.00 0.00 H new ATOM 0 HE ARG A 68 0.990 3.949 -23.987 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.387 6.365 -22.987 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.631 5.161 -22.633 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.598 2.391 -23.532 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.183 2.903 -22.944 1.00 0.00 H new ATOM 1037 N GLU A 69 -2.798 8.470 -25.861 1.00 0.00 N ATOM 1038 CA GLU A 69 -2.855 9.232 -27.096 1.00 0.00 C ATOM 1039 C GLU A 69 -3.553 10.574 -26.861 1.00 0.00 C ATOM 1040 O GLU A 69 -4.150 11.136 -27.778 1.00 0.00 O ATOM 1041 CB GLU A 69 -3.555 8.437 -28.200 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.028 8.207 -27.860 1.00 0.00 C ATOM 1043 CD GLU A 69 -5.593 7.019 -28.643 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.067 7.259 -29.775 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -5.537 5.900 -28.092 1.00 0.00 O ATOM 0 H GLU A 69 -3.638 7.930 -25.654 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.835 9.428 -27.426 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.476 8.974 -29.145 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.055 7.478 -28.335 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.134 8.026 -26.790 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.602 9.105 -28.089 1.00 0.00 H new ATOM 1052 N LEU A 70 -3.454 11.048 -25.628 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.067 12.313 -25.261 1.00 0.00 C ATOM 1054 C LEU A 70 -3.014 13.421 -25.315 1.00 0.00 C ATOM 1055 O LEU A 70 -3.179 14.403 -26.037 1.00 0.00 O ATOM 1056 CB LEU A 70 -4.766 12.195 -23.904 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.223 12.661 -23.858 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.330 14.158 -24.151 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.095 11.828 -24.801 1.00 0.00 C ATOM 0 H LEU A 70 -2.958 10.579 -24.870 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.847 12.579 -25.975 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.728 11.153 -23.587 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.198 12.771 -23.173 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.600 12.504 -22.847 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.376 14.463 -24.112 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.762 14.716 -23.407 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.929 14.364 -25.143 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.125 12.180 -24.749 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.727 11.930 -25.822 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.054 10.780 -24.504 1.00 0.00 H new ATOM 1071 N SER A 71 -1.956 13.226 -24.543 1.00 0.00 N ATOM 1072 CA SER A 71 -0.875 14.197 -24.495 1.00 0.00 C ATOM 1073 C SER A 71 0.229 13.801 -25.478 1.00 0.00 C ATOM 1074 O SER A 71 1.310 13.384 -25.067 1.00 0.00 O ATOM 1075 CB SER A 71 -0.307 14.318 -23.080 1.00 0.00 C ATOM 1076 OG SER A 71 -0.357 13.081 -22.376 1.00 0.00 O ATOM 0 H SER A 71 -1.823 12.410 -23.945 1.00 0.00 H new ATOM 0 HA SER A 71 -1.276 15.169 -24.782 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.725 14.664 -23.132 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.868 15.072 -22.528 1.00 0.00 H new ATOM 0 HG SER A 71 0.521 12.648 -22.413 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.083 13.945 -26.758 1.00 0.00 N ATOM 1083 CA LYS A 72 0.869 13.608 -27.802 1.00 0.00 C ATOM 1084 C LYS A 72 1.850 14.767 -27.985 1.00 0.00 C ATOM 1085 O LYS A 72 3.061 14.584 -27.874 1.00 0.00 O ATOM 1086 CB LYS A 72 0.138 13.213 -29.087 1.00 0.00 C ATOM 1087 CG LYS A 72 -0.003 11.692 -29.192 1.00 0.00 C ATOM 1088 CD LYS A 72 0.222 11.219 -30.629 1.00 0.00 C ATOM 1089 CE LYS A 72 -0.874 10.244 -31.063 1.00 0.00 C ATOM 1090 NZ LYS A 72 -1.376 10.595 -32.410 1.00 0.00 N ATOM 0 H LYS A 72 -0.982 14.290 -27.095 1.00 0.00 H new ATOM 0 HA LYS A 72 1.456 12.735 -27.515 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.849 13.675 -29.105 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.684 13.592 -29.951 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.716 11.210 -28.530 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.996 11.391 -28.857 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.236 12.078 -31.300 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.196 10.736 -30.708 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.483 9.227 -31.068 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.694 10.267 -30.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.119 9.923 -32.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.768 11.558 -32.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.594 10.550 -33.094 1.00 0.00 H new ATOM 1104 N THR A 73 1.291 15.935 -28.265 1.00 0.00 N ATOM 1105 CA THR A 73 2.101 17.125 -28.465 1.00 0.00 C ATOM 1106 C THR A 73 2.670 17.613 -27.131 1.00 0.00 C ATOM 1107 O THR A 73 3.852 17.941 -27.039 1.00 0.00 O ATOM 1108 CB THR A 73 1.240 18.170 -29.177 1.00 0.00 C ATOM 1109 OG1 THR A 73 1.230 17.744 -30.537 1.00 0.00 O ATOM 1110 CG2 THR A 73 1.907 19.546 -29.222 1.00 0.00 C ATOM 0 H THR A 73 0.286 16.083 -28.358 1.00 0.00 H new ATOM 0 HA THR A 73 2.966 16.913 -29.094 1.00 0.00 H new ATOM 0 HB THR A 73 0.277 18.250 -28.674 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.692 18.365 -31.070 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.254 20.250 -29.738 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.088 19.896 -28.206 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.855 19.473 -29.755 1.00 0.00 H new ATOM 1118 N TYR A 74 1.803 17.645 -26.130 1.00 0.00 N ATOM 1119 CA TYR A 74 2.204 18.088 -24.806 1.00 0.00 C ATOM 1120 C TYR A 74 3.468 17.358 -24.344 1.00 0.00 C ATOM 1121 O TYR A 74 4.381 17.976 -23.797 1.00 0.00 O ATOM 1122 CB TYR A 74 1.049 17.724 -23.872 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.289 18.354 -24.262 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.319 19.604 -24.845 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.466 17.672 -24.030 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.578 20.197 -25.213 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.726 18.265 -24.398 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.720 19.499 -24.971 1.00 0.00 C ATOM 1129 OH TYR A 74 -3.909 20.059 -25.318 1.00 0.00 O ATOM 0 H TYR A 74 0.824 17.371 -26.209 1.00 0.00 H new ATOM 0 HA TYR A 74 2.420 19.156 -24.807 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.937 16.640 -23.855 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.303 18.034 -22.859 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.602 20.138 -25.025 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.442 16.694 -23.573 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.615 21.174 -25.671 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.655 17.742 -24.223 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.639 19.447 -25.087 1.00 0.00 H new ATOM 1139 N ILE A 75 3.480 16.055 -24.580 1.00 0.00 N ATOM 1140 CA ILE A 75 4.616 15.235 -24.196 1.00 0.00 C ATOM 1141 C ILE A 75 5.901 16.052 -24.340 1.00 0.00 C ATOM 1142 O ILE A 75 6.056 16.807 -25.298 1.00 0.00 O ATOM 1143 CB ILE A 75 4.626 13.927 -24.989 1.00 0.00 C ATOM 1144 CG1 ILE A 75 3.939 12.805 -24.208 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.050 13.547 -25.402 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.872 12.227 -23.143 1.00 0.00 C ATOM 0 H ILE A 75 2.721 15.546 -25.033 1.00 0.00 H new ATOM 0 HA ILE A 75 4.539 14.944 -23.148 1.00 0.00 H new ATOM 0 HB ILE A 75 4.054 14.080 -25.904 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.034 13.187 -23.735 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.631 12.016 -24.894 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.029 12.613 -25.964 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.471 14.336 -26.025 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.666 13.420 -24.511 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.359 11.432 -22.603 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.764 11.824 -23.621 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.159 13.013 -22.445 1.00 0.00 H new ATOM 1158 N ILE A 76 6.790 15.873 -23.374 1.00 0.00 N ATOM 1159 CA ILE A 76 8.058 16.584 -23.382 1.00 0.00 C ATOM 1160 C ILE A 76 9.177 15.620 -23.781 1.00 0.00 C ATOM 1161 O ILE A 76 9.981 15.927 -24.659 1.00 0.00 O ATOM 1162 CB ILE A 76 8.292 17.275 -22.036 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.395 16.570 -21.243 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.990 17.379 -21.239 1.00 0.00 C ATOM 1165 CD1 ILE A 76 10.018 17.515 -20.214 1.00 0.00 C ATOM 0 H ILE A 76 6.658 15.246 -22.580 1.00 0.00 H new ATOM 0 HA ILE A 76 8.044 17.380 -24.126 1.00 0.00 H new ATOM 0 HB ILE A 76 8.633 18.292 -22.229 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.983 15.696 -20.738 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.165 16.210 -21.925 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.184 17.874 -20.287 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.261 17.958 -21.807 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.596 16.380 -21.055 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.799 16.990 -19.664 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.450 18.375 -20.725 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.250 17.854 -19.519 1.00 0.00 H new ATOM 1177 N GLY A 77 9.191 14.473 -23.117 1.00 0.00 N ATOM 1178 CA GLY A 77 10.198 13.462 -23.393 1.00 0.00 C ATOM 1179 C GLY A 77 10.276 12.443 -22.255 1.00 0.00 C ATOM 1180 O GLY A 77 9.337 11.678 -22.036 1.00 0.00 O ATOM 0 H GLY A 77 8.522 14.222 -22.389 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.961 12.952 -24.327 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.169 13.938 -23.527 1.00 0.00 H new ATOM 1184 N GLU A 78 11.404 12.464 -21.560 1.00 0.00 N ATOM 1185 CA GLU A 78 11.617 11.551 -20.451 1.00 0.00 C ATOM 1186 C GLU A 78 12.791 12.025 -19.591 1.00 0.00 C ATOM 1187 O GLU A 78 13.917 12.129 -20.076 1.00 0.00 O ATOM 1188 CB GLU A 78 11.844 10.124 -20.951 1.00 0.00 C ATOM 1189 CG GLU A 78 12.970 10.078 -21.986 1.00 0.00 C ATOM 1190 CD GLU A 78 12.936 8.767 -22.776 1.00 0.00 C ATOM 1191 OE1 GLU A 78 11.910 8.539 -23.453 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.936 8.024 -22.686 1.00 0.00 O ATOM 0 H GLU A 78 12.180 13.100 -21.744 1.00 0.00 H new ATOM 0 HA GLU A 78 10.719 11.545 -19.833 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.091 9.475 -20.111 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.924 9.739 -21.391 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.875 10.921 -22.670 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.933 10.180 -21.486 1.00 0.00 H new ATOM 1199 N LEU A 79 12.489 12.298 -18.331 1.00 0.00 N ATOM 1200 CA LEU A 79 13.506 12.759 -17.400 1.00 0.00 C ATOM 1201 C LEU A 79 14.694 11.796 -17.433 1.00 0.00 C ATOM 1202 O LEU A 79 14.549 10.639 -17.826 1.00 0.00 O ATOM 1203 CB LEU A 79 12.907 12.950 -16.005 1.00 0.00 C ATOM 1204 CG LEU A 79 13.052 11.768 -15.045 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.793 10.443 -15.764 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.418 11.788 -14.353 1.00 0.00 C ATOM 0 H LEU A 79 11.554 12.209 -17.932 1.00 0.00 H new ATOM 0 HA LEU A 79 13.881 13.738 -17.698 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.373 13.823 -15.548 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.846 13.175 -16.115 1.00 0.00 H new ATOM 0 HG LEU A 79 12.295 11.865 -14.267 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.903 9.619 -15.059 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.781 10.441 -16.170 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.510 10.323 -16.576 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.495 10.937 -13.676 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.207 11.728 -15.103 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.526 12.713 -13.787 1.00 0.00 H new ATOM 1218 N HIS A 80 15.842 12.308 -17.014 1.00 0.00 N ATOM 1219 CA HIS A 80 17.054 11.507 -16.990 1.00 0.00 C ATOM 1220 C HIS A 80 16.704 10.055 -16.659 1.00 0.00 C ATOM 1221 O HIS A 80 15.830 9.796 -15.833 1.00 0.00 O ATOM 1222 CB HIS A 80 18.080 12.105 -16.026 1.00 0.00 C ATOM 1223 CG HIS A 80 19.515 11.813 -16.399 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.281 10.866 -15.742 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.312 12.353 -17.364 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.485 10.846 -16.296 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.501 11.768 -17.301 1.00 0.00 N ATOM 0 H HIS A 80 15.958 13.268 -16.688 1.00 0.00 H new ATOM 0 HA HIS A 80 17.520 11.515 -17.976 1.00 0.00 H new ATOM 0 HB2 HIS A 80 17.938 13.185 -15.985 1.00 0.00 H new ATOM 0 HB3 HIS A 80 17.890 11.720 -15.024 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.024 13.126 -18.061 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.308 10.211 -16.003 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.297 11.974 -17.905 1.00 0.00 H new ATOM 1235 N PRO A 81 17.423 9.122 -17.337 1.00 0.00 N ATOM 1236 CA PRO A 81 17.197 7.702 -17.122 1.00 0.00 C ATOM 1237 C PRO A 81 17.797 7.247 -15.790 1.00 0.00 C ATOM 1238 O PRO A 81 17.288 6.320 -15.162 1.00 0.00 O ATOM 1239 CB PRO A 81 17.829 7.017 -18.324 1.00 0.00 C ATOM 1240 CG PRO A 81 18.785 8.033 -18.926 1.00 0.00 C ATOM 1241 CD PRO A 81 18.466 9.391 -18.322 1.00 0.00 C ATOM 0 HA PRO A 81 16.139 7.450 -17.048 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.358 6.112 -18.025 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.070 6.718 -19.047 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.818 7.756 -18.716 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.677 8.063 -20.010 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.346 9.834 -17.856 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.121 10.092 -19.083 1.00 0.00 H new ATOM 1249 N ASP A 82 18.870 7.920 -15.399 1.00 0.00 N ATOM 1250 CA ASP A 82 19.544 7.595 -14.154 1.00 0.00 C ATOM 1251 C ASP A 82 18.660 8.016 -12.977 1.00 0.00 C ATOM 1252 O ASP A 82 18.467 7.248 -12.036 1.00 0.00 O ATOM 1253 CB ASP A 82 20.874 8.342 -14.037 1.00 0.00 C ATOM 1254 CG ASP A 82 22.042 7.504 -13.514 1.00 0.00 C ATOM 1255 OD1 ASP A 82 21.770 6.367 -13.070 1.00 0.00 O ATOM 1256 OD2 ASP A 82 23.179 8.019 -13.570 1.00 0.00 O ATOM 0 H ASP A 82 19.289 8.689 -15.923 1.00 0.00 H new ATOM 0 HA ASP A 82 19.731 6.521 -14.141 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.140 8.736 -15.018 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.736 9.198 -13.376 1.00 0.00 H new ATOM 1261 N ASP A 83 18.150 9.235 -13.068 1.00 0.00 N ATOM 1262 CA ASP A 83 17.291 9.767 -12.022 1.00 0.00 C ATOM 1263 C ASP A 83 16.000 8.950 -11.964 1.00 0.00 C ATOM 1264 O ASP A 83 15.434 8.754 -10.890 1.00 0.00 O ATOM 1265 CB ASP A 83 16.918 11.223 -12.305 1.00 0.00 C ATOM 1266 CG ASP A 83 17.990 12.250 -11.933 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.039 12.245 -12.611 1.00 0.00 O ATOM 1268 OD2 ASP A 83 17.734 13.017 -10.979 1.00 0.00 O ATOM 0 H ASP A 83 18.314 9.870 -13.849 1.00 0.00 H new ATOM 0 HA ASP A 83 17.833 9.711 -11.078 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.692 11.325 -13.366 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.004 11.461 -11.760 1.00 0.00 H new ATOM 1273 N ARG A 84 15.571 8.494 -13.132 1.00 0.00 N ATOM 1274 CA ARG A 84 14.356 7.703 -13.226 1.00 0.00 C ATOM 1275 C ARG A 84 14.487 6.429 -12.389 1.00 0.00 C ATOM 1276 O ARG A 84 13.523 5.993 -11.762 1.00 0.00 O ATOM 1277 CB ARG A 84 14.059 7.322 -14.678 1.00 0.00 C ATOM 1278 CG ARG A 84 13.326 5.982 -14.755 1.00 0.00 C ATOM 1279 CD ARG A 84 14.314 4.824 -14.913 1.00 0.00 C ATOM 1280 NE ARG A 84 13.669 3.701 -15.630 1.00 0.00 N ATOM 1281 CZ ARG A 84 14.339 2.752 -16.296 1.00 0.00 C ATOM 1282 NH1 ARG A 84 15.678 2.783 -16.341 1.00 0.00 N ATOM 1283 NH2 ARG A 84 13.670 1.771 -16.917 1.00 0.00 N ATOM 0 H ARG A 84 16.043 8.657 -14.021 1.00 0.00 H new ATOM 0 HA ARG A 84 13.534 8.310 -12.845 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.454 8.099 -15.145 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.991 7.263 -15.240 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.731 5.837 -13.853 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.633 5.991 -15.596 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.194 5.159 -15.462 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.657 4.491 -13.933 1.00 0.00 H new ATOM 0 HE ARG A 84 12.651 3.647 -15.616 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.187 3.530 -15.868 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.188 2.060 -16.848 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.651 1.747 -16.882 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.180 1.048 -17.424 1.00 0.00 H new ATOM 1297 N SER A 85 15.687 5.867 -12.407 1.00 0.00 N ATOM 1298 CA SER A 85 15.955 4.652 -11.657 1.00 0.00 C ATOM 1299 C SER A 85 16.134 4.982 -10.173 1.00 0.00 C ATOM 1300 O SER A 85 16.137 4.085 -9.331 1.00 0.00 O ATOM 1301 CB SER A 85 17.196 3.936 -12.195 1.00 0.00 C ATOM 1302 OG SER A 85 17.460 2.725 -11.493 1.00 0.00 O ATOM 0 H SER A 85 16.484 6.231 -12.929 1.00 0.00 H new ATOM 0 HA SER A 85 15.103 3.982 -11.774 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.058 3.718 -13.254 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.059 4.597 -12.115 1.00 0.00 H new ATOM 0 HG SER A 85 17.086 2.783 -10.589 1.00 0.00 H new ATOM 1308 N LYS A 86 16.278 6.270 -9.899 1.00 0.00 N ATOM 1309 CA LYS A 86 16.455 6.728 -8.531 1.00 0.00 C ATOM 1310 C LYS A 86 15.094 7.101 -7.942 1.00 0.00 C ATOM 1311 O LYS A 86 14.963 7.268 -6.730 1.00 0.00 O ATOM 1312 CB LYS A 86 17.482 7.862 -8.476 1.00 0.00 C ATOM 1313 CG LYS A 86 18.880 7.354 -8.831 1.00 0.00 C ATOM 1314 CD LYS A 86 19.955 8.341 -8.373 1.00 0.00 C ATOM 1315 CE LYS A 86 20.830 7.729 -7.277 1.00 0.00 C ATOM 1316 NZ LYS A 86 22.208 8.266 -7.353 1.00 0.00 N ATOM 0 H LYS A 86 16.276 7.011 -10.600 1.00 0.00 H new ATOM 0 HA LYS A 86 16.862 5.929 -7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.192 8.653 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.493 8.299 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.048 6.384 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.954 7.205 -9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.576 8.627 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.484 9.251 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.402 7.946 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.850 6.644 -7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.788 7.840 -6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 22.619 8.037 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 22.186 9.298 -7.230 1.00 0.00 H new ATOM 1330 N ILE A 87 14.114 7.220 -8.826 1.00 0.00 N ATOM 1331 CA ILE A 87 12.767 7.569 -8.407 1.00 0.00 C ATOM 1332 C ILE A 87 12.143 6.384 -7.669 1.00 0.00 C ATOM 1333 O ILE A 87 11.032 6.486 -7.151 1.00 0.00 O ATOM 1334 CB ILE A 87 11.944 8.052 -9.603 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.357 9.465 -10.019 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.445 7.955 -9.311 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.538 9.945 -11.219 1.00 0.00 C ATOM 0 H ILE A 87 14.226 7.081 -9.830 1.00 0.00 H new ATOM 0 HA ILE A 87 12.790 8.404 -7.706 1.00 0.00 H new ATOM 0 HB ILE A 87 12.151 7.395 -10.448 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.218 10.149 -9.182 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.418 9.479 -10.269 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.882 8.304 -10.177 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.182 6.918 -9.101 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.202 8.573 -8.447 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.852 10.952 -11.494 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.698 9.272 -12.061 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.480 9.953 -10.957 1.00 0.00 H new ATOM 1349 N ALA A 88 12.885 5.286 -7.644 1.00 0.00 N ATOM 1350 CA ALA A 88 12.417 4.082 -6.978 1.00 0.00 C ATOM 1351 C ALA A 88 12.363 4.328 -5.469 1.00 0.00 C ATOM 1352 O ALA A 88 13.050 3.656 -4.701 1.00 0.00 O ATOM 1353 CB ALA A 88 13.328 2.910 -7.345 1.00 0.00 C ATOM 0 H ALA A 88 13.806 5.205 -8.074 1.00 0.00 H new ATOM 0 HA ALA A 88 11.409 3.828 -7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 88 12.978 2.007 -6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.309 2.759 -8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.347 3.128 -7.027 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -6.170 12.534 -15.798 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.508 12.159 -15.890 1.00 0.00 C HETATM 1362 CHB HEM A 95 -6.072 12.501 -19.194 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.818 12.935 -15.690 1.00 0.00 C HETATM 1364 CHD HEM A 95 -6.254 12.590 -12.387 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.543 12.351 -17.239 1.00 0.00 N HETATM 1366 C1A HEM A 95 -8.890 12.216 -17.061 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.524 12.120 -18.372 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.555 12.224 -19.295 1.00 0.00 C HETATM 1369 C4A HEM A 95 -7.317 12.379 -18.586 1.00 0.00 C HETATM 1370 CMA HEM A 95 -8.759 12.139 -20.799 1.00 0.00 C HETATM 1371 CAA HEM A 95 -10.845 11.352 -18.738 1.00 0.00 C HETATM 1372 CBA HEM A 95 -10.978 9.818 -18.610 1.00 0.00 C HETATM 1373 CGA HEM A 95 -10.246 9.061 -19.709 1.00 0.00 C HETATM 1374 O1A HEM A 95 -10.691 9.117 -20.883 1.00 0.00 O HETATM 1375 O2A HEM A 95 -9.210 8.411 -19.419 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.723 12.679 -17.160 1.00 0.00 N HETATM 1377 C1B HEM A 95 -4.883 12.639 -18.512 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.597 12.786 -19.175 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.682 12.907 -18.201 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.386 12.860 -16.919 1.00 0.00 C HETATM 1381 CMB HEM A 95 -3.302 12.780 -20.665 1.00 0.00 C HETATM 1382 CAB HEM A 95 -1.195 13.072 -18.399 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.460 14.041 -18.291 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.799 12.740 -14.330 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.452 12.887 -14.495 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.801 12.971 -13.209 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.801 12.894 -12.256 1.00 0.00 C HETATM 1388 C4C HEM A 95 -5.031 12.725 -12.968 1.00 0.00 C HETATM 1389 CMC HEM A 95 -1.351 13.152 -12.899 1.00 0.00 C HETATM 1390 CAC HEM A 95 -3.567 12.956 -10.781 1.00 0.00 C HETATM 1391 CBC HEM A 95 -2.715 13.372 -10.224 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.620 12.406 -14.416 1.00 0.00 N HETATM 1393 C1D HEM A 95 -7.454 12.446 -13.045 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.772 12.306 -12.394 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.643 12.188 -13.383 1.00 0.00 C HETATM 1396 C4D HEM A 95 -8.940 12.252 -14.642 1.00 0.00 C HETATM 1397 CMD HEM A 95 -9.023 12.312 -10.917 1.00 0.00 C HETATM 1398 CAD HEM A 95 -11.255 12.254 -13.408 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.851 10.920 -12.897 1.00 0.00 C HETATM 1400 CGD HEM A 95 -13.344 11.050 -12.595 1.00 0.00 C HETATM 1401 O1D HEM A 95 -14.084 11.930 -13.033 1.00 0.00 O HETATM 1402 O2D HEM A 95 -13.637 10.262 -11.570 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -7.982 12.712 -21.305 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -9.736 12.546 -21.057 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -8.705 11.097 -21.115 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -2.432 13.405 -20.866 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -4.163 13.171 -21.208 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -3.099 11.760 -20.992 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -0.751 12.707 -13.693 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -1.118 12.665 -11.952 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -1.125 14.216 -12.826 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -10.015 12.717 -10.718 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -8.273 12.930 -10.423 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -8.963 11.293 -10.534 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 0.608 13.939 -18.484 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -0.872 15.008 -18.001 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -2.705 13.334 -9.135 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -1.880 13.822 -10.761 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -12.034 9.548 -18.632 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -10.589 9.505 -17.641 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -11.072 11.599 -19.775 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.637 11.785 -18.127 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -11.323 10.606 -11.997 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -11.697 10.142 -13.645 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -11.603 12.452 -14.422 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -11.602 13.078 -12.785 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.579 12.024 -15.920 1.00 0.00 H new HETATM 0 HHB HEM A 95 -6.035 12.487 -20.273 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.744 13.045 -15.662 1.00 0.00 H new HETATM 0 HHD HEM A 95 -6.286 12.596 -11.307 1.00 0.00 H new HETATM 0 HAB HEM A 95 -0.682 12.156 -18.693 1.00 0.00 H new HETATM 0 HAC HEM A 95 -4.358 12.525 -10.167 1.00 0.00 H new