USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 HIS : no HE2:sc= 0.646 K(o=0.64,f=-4.3!) USER MOD Set 1.2: A 25 SER OG : rot 85:sc=-0.00782 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0016 (180deg=-0.171) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.08 (180deg=0.847) USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= -0.0294 (180deg=-0.242) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.414 X(o=0.41,f=-0.023) USER MOD Single : A 14 ASN : amide:sc= -2.17! C(o=-2.2!,f=-8.3!) USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= -1.08 (180deg=-1.2) USER MOD Single : A 17 TYR OH : rot -158:sc= 1.37 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= 1.02 (180deg=0.302) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.23) USER MOD Single : A 34 TYR OH : rot 43:sc= 1.17 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0509) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 145:sc= 1.29 (180deg=0.644) USER MOD Single : A 53 MET CE :methyl -162:sc= -0.124 (180deg=-0.556) USER MOD Single : A 55 ASN : amide:sc= -0.0301 X(o=-0.03,f=-0.03) USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= 1.28 (180deg=1.14) USER MOD Single : A 63 LYS NZ :NH3+ -116:sc= 0.808 (180deg=-0.674) USER MOD Single : A 65 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.7!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.793 23.981 -6.347 1.00 0.00 N ATOM 2 CA MET A 1 -6.258 24.019 -6.235 1.00 0.00 C ATOM 3 C MET A 1 -6.827 22.628 -6.003 1.00 0.00 C ATOM 4 O MET A 1 -7.727 22.444 -5.176 1.00 0.00 O ATOM 5 CB MET A 1 -6.926 24.691 -7.459 1.00 0.00 C ATOM 6 CG MET A 1 -6.643 26.191 -7.601 1.00 0.00 C ATOM 7 SD MET A 1 -4.909 26.587 -7.983 1.00 0.00 S ATOM 8 CE MET A 1 -4.761 25.957 -9.664 1.00 0.00 C ATOM 0 H1 MET A 1 -4.443 24.916 -6.638 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.381 23.728 -5.426 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.517 23.272 -7.056 1.00 0.00 H new ATOM 0 HA MET A 1 -6.490 24.635 -5.366 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.589 24.184 -8.363 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.004 24.543 -7.394 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.279 26.597 -8.388 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.923 26.692 -6.674 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.831 26.314 -10.106 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.759 24.867 -9.645 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.604 26.308 -10.260 1.00 0.00 H new ATOM 20 N LEU A 2 -6.306 21.647 -6.706 1.00 0.00 N ATOM 21 CA LEU A 2 -6.742 20.277 -6.566 1.00 0.00 C ATOM 22 C LEU A 2 -5.527 19.400 -6.384 1.00 0.00 C ATOM 23 O LEU A 2 -4.471 19.678 -6.955 1.00 0.00 O ATOM 24 CB LEU A 2 -7.512 19.821 -7.817 1.00 0.00 C ATOM 25 CG LEU A 2 -8.818 20.556 -8.138 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.391 20.059 -9.453 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.834 20.365 -7.017 1.00 0.00 C ATOM 0 H LEU A 2 -5.564 21.779 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.404 20.200 -5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.849 19.918 -8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.739 18.760 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.599 21.620 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.319 20.589 -9.669 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.674 20.240 -10.254 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.592 18.990 -9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.754 20.895 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.048 19.303 -6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.427 20.760 -6.086 1.00 0.00 H new ATOM 39 N LYS A 3 -5.648 18.395 -5.569 1.00 0.00 N ATOM 40 CA LYS A 3 -4.583 17.449 -5.372 1.00 0.00 C ATOM 41 C LYS A 3 -4.966 16.125 -5.988 1.00 0.00 C ATOM 42 O LYS A 3 -5.885 15.444 -5.523 1.00 0.00 O ATOM 43 CB LYS A 3 -4.226 17.298 -3.891 1.00 0.00 C ATOM 44 CG LYS A 3 -3.602 18.548 -3.287 1.00 0.00 C ATOM 45 CD LYS A 3 -3.261 18.344 -1.823 1.00 0.00 C ATOM 46 CE LYS A 3 -2.554 19.560 -1.231 1.00 0.00 C ATOM 47 NZ LYS A 3 -1.260 19.843 -1.896 1.00 0.00 N ATOM 0 H LYS A 3 -6.487 18.205 -5.020 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.688 17.823 -5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.127 17.045 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.534 16.464 -3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.699 18.809 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.292 19.386 -3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.174 18.145 -1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.624 17.466 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.202 20.432 -1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.384 19.395 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.713 20.514 -1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.723 18.959 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.435 20.255 -2.835 1.00 0.00 H new ATOM 61 N HIS A 4 -4.289 15.782 -7.044 1.00 0.00 N ATOM 62 CA HIS A 4 -4.576 14.579 -7.779 1.00 0.00 C ATOM 63 C HIS A 4 -3.739 13.415 -7.251 1.00 0.00 C ATOM 64 O HIS A 4 -4.101 12.279 -7.430 1.00 0.00 O ATOM 65 CB HIS A 4 -4.347 14.814 -9.290 1.00 0.00 C ATOM 66 CG HIS A 4 -4.700 13.655 -10.207 1.00 0.00 C ATOM 67 ND1 HIS A 4 -5.869 13.592 -10.939 1.00 0.00 N ATOM 68 CD2 HIS A 4 -4.001 12.541 -10.549 1.00 0.00 C ATOM 69 CE1 HIS A 4 -5.868 12.511 -11.672 1.00 0.00 C ATOM 70 NE2 HIS A 4 -4.755 11.857 -11.460 1.00 0.00 N ATOM 0 H HIS A 4 -3.517 16.330 -7.424 1.00 0.00 H new ATOM 0 HA HIS A 4 -5.624 14.314 -7.638 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.931 15.683 -9.595 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.298 15.065 -9.443 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -6.618 14.283 -10.912 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.032 12.251 -10.172 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.657 12.207 -12.344 1.00 0.00 H new ATOM 79 N GLY A 5 -2.639 13.696 -6.605 1.00 0.00 N ATOM 80 CA GLY A 5 -1.834 12.618 -6.082 1.00 0.00 C ATOM 81 C GLY A 5 -1.244 12.958 -4.756 1.00 0.00 C ATOM 82 O GLY A 5 -0.554 13.962 -4.635 1.00 0.00 O ATOM 0 H GLY A 5 -2.284 14.636 -6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.446 11.721 -5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.035 12.387 -6.786 1.00 0.00 H new ATOM 86 N LYS A 6 -1.533 12.162 -3.750 1.00 0.00 N ATOM 87 CA LYS A 6 -0.998 12.403 -2.415 1.00 0.00 C ATOM 88 C LYS A 6 -0.333 11.143 -1.876 1.00 0.00 C ATOM 89 O LYS A 6 -0.757 10.039 -2.198 1.00 0.00 O ATOM 90 CB LYS A 6 -2.100 12.853 -1.450 1.00 0.00 C ATOM 91 CG LYS A 6 -2.894 14.074 -1.913 1.00 0.00 C ATOM 92 CD LYS A 6 -3.846 14.582 -0.834 1.00 0.00 C ATOM 93 CE LYS A 6 -4.826 13.515 -0.364 1.00 0.00 C ATOM 94 NZ LYS A 6 -5.712 14.021 0.702 1.00 0.00 N ATOM 0 H LYS A 6 -2.134 11.341 -3.824 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.258 13.199 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.791 12.024 -1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.649 13.075 -0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.204 14.871 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.463 13.818 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.266 14.937 0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.403 15.436 -1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.428 13.176 -1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.274 12.649 0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.365 13.268 0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.139 14.321 1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.257 14.832 0.345 1.00 0.00 H new ATOM 108 N TYR A 7 0.699 11.304 -1.081 1.00 0.00 N ATOM 109 CA TYR A 7 1.389 10.174 -0.465 1.00 0.00 C ATOM 110 C TYR A 7 0.834 9.889 0.915 1.00 0.00 C ATOM 111 O TYR A 7 0.914 10.736 1.800 1.00 0.00 O ATOM 112 CB TYR A 7 2.895 10.437 -0.336 1.00 0.00 C ATOM 113 CG TYR A 7 3.673 10.444 -1.628 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.841 11.607 -2.366 1.00 0.00 C ATOM 115 CD2 TYR A 7 4.265 9.281 -2.095 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.576 11.609 -3.530 1.00 0.00 C ATOM 117 CE2 TYR A 7 5.000 9.274 -3.257 1.00 0.00 C ATOM 118 CZ TYR A 7 5.153 10.440 -3.970 1.00 0.00 C ATOM 119 OH TYR A 7 5.883 10.436 -5.129 1.00 0.00 O ATOM 0 H TYR A 7 1.089 12.214 -0.838 1.00 0.00 H new ATOM 0 HA TYR A 7 1.227 9.315 -1.116 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.036 11.399 0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.322 9.678 0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.388 12.525 -2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.147 8.364 -1.536 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.699 12.522 -4.094 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.454 8.359 -3.607 1.00 0.00 H new ATOM 0 HH TYR A 7 6.223 9.533 -5.298 1.00 0.00 H new ATOM 129 N VAL A 8 0.277 8.726 1.097 1.00 0.00 N ATOM 130 CA VAL A 8 -0.223 8.318 2.393 1.00 0.00 C ATOM 131 C VAL A 8 0.502 7.048 2.814 1.00 0.00 C ATOM 132 O VAL A 8 1.348 6.534 2.064 1.00 0.00 O ATOM 133 CB VAL A 8 -1.769 8.090 2.416 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.527 9.336 1.966 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.169 6.881 1.591 1.00 0.00 C ATOM 0 H VAL A 8 0.154 8.032 0.360 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.029 9.129 3.094 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.047 7.889 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.599 9.140 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.292 10.166 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.232 9.593 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.251 6.755 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.859 7.028 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.685 5.991 1.992 1.00 0.00 H new ATOM 145 N TYR A 9 0.193 6.542 3.974 1.00 0.00 N ATOM 146 CA TYR A 9 0.858 5.363 4.472 1.00 0.00 C ATOM 147 C TYR A 9 -0.147 4.282 4.753 1.00 0.00 C ATOM 148 O TYR A 9 -1.257 4.562 5.182 1.00 0.00 O ATOM 149 CB TYR A 9 1.663 5.684 5.736 1.00 0.00 C ATOM 150 CG TYR A 9 2.799 6.658 5.511 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.574 8.031 5.506 1.00 0.00 C ATOM 152 CD2 TYR A 9 4.092 6.207 5.297 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.601 8.921 5.297 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.130 7.094 5.088 1.00 0.00 C ATOM 155 CZ TYR A 9 4.877 8.452 5.089 1.00 0.00 C ATOM 156 OH TYR A 9 5.910 9.345 4.883 1.00 0.00 O ATOM 0 H TYR A 9 -0.517 6.926 4.597 1.00 0.00 H new ATOM 0 HA TYR A 9 1.551 5.011 3.708 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.990 6.094 6.489 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.068 4.757 6.142 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.574 8.405 5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.291 5.146 5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.407 9.983 5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.133 6.728 4.925 1.00 0.00 H new ATOM 0 HH TYR A 9 6.747 8.852 4.753 1.00 0.00 H new ATOM 166 N ILE A 10 0.215 3.067 4.476 1.00 0.00 N ATOM 167 CA ILE A 10 -0.651 1.949 4.755 1.00 0.00 C ATOM 168 C ILE A 10 -0.318 1.369 6.118 1.00 0.00 C ATOM 169 O ILE A 10 0.858 1.078 6.414 1.00 0.00 O ATOM 170 CB ILE A 10 -0.567 0.846 3.661 1.00 0.00 C ATOM 171 CG1 ILE A 10 -0.918 1.414 2.275 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.453 -0.358 3.991 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.285 2.067 2.198 1.00 0.00 C ATOM 0 H ILE A 10 1.109 2.817 4.054 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.676 2.319 4.754 1.00 0.00 H new ATOM 0 HB ILE A 10 0.465 0.496 3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.162 2.146 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.871 0.609 1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.363 -1.103 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.136 -0.794 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.491 -0.035 4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.453 2.441 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.053 1.334 2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.333 2.896 2.904 1.00 0.00 H new ATOM 185 N ASP A 11 -1.342 1.212 6.940 1.00 0.00 N ATOM 186 CA ASP A 11 -1.195 0.695 8.290 1.00 0.00 C ATOM 187 C ASP A 11 -0.950 -0.800 8.286 1.00 0.00 C ATOM 188 O ASP A 11 -1.878 -1.614 8.395 1.00 0.00 O ATOM 189 CB ASP A 11 -2.391 1.077 9.205 1.00 0.00 C ATOM 190 CG ASP A 11 -2.296 0.500 10.630 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.407 0.922 11.405 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.141 -0.342 11.009 1.00 0.00 O ATOM 0 H ASP A 11 -2.304 1.441 6.688 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.313 1.174 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.456 2.163 9.267 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.315 0.728 8.743 1.00 0.00 H new ATOM 197 N LEU A 12 0.296 -1.148 8.030 1.00 0.00 N ATOM 198 CA LEU A 12 0.757 -2.520 8.114 1.00 0.00 C ATOM 199 C LEU A 12 0.771 -2.869 9.574 1.00 0.00 C ATOM 200 O LEU A 12 0.386 -3.965 9.982 1.00 0.00 O ATOM 201 CB LEU A 12 2.169 -2.631 7.557 1.00 0.00 C ATOM 202 CG LEU A 12 2.379 -2.114 6.141 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.846 -2.204 5.772 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.522 -2.892 5.149 1.00 0.00 C ATOM 0 H LEU A 12 1.020 -0.484 7.757 1.00 0.00 H new ATOM 0 HA LEU A 12 0.112 -3.188 7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.842 -2.090 8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.467 -3.679 7.586 1.00 0.00 H new ATOM 0 HG LEU A 12 2.071 -1.069 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.989 -1.832 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.433 -1.602 6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.172 -3.243 5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.688 -2.506 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.794 -3.947 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.470 -2.781 5.411 1.00 0.00 H new ATOM 216 N ASN A 13 1.261 -1.895 10.349 1.00 0.00 N ATOM 217 CA ASN A 13 1.231 -1.881 11.819 1.00 0.00 C ATOM 218 C ASN A 13 2.289 -2.810 12.443 1.00 0.00 C ATOM 219 O ASN A 13 2.506 -2.801 13.648 1.00 0.00 O ATOM 220 CB ASN A 13 -0.199 -2.206 12.324 1.00 0.00 C ATOM 221 CG ASN A 13 -0.441 -1.843 13.764 1.00 0.00 C ATOM 222 OD1 ASN A 13 -0.210 -2.636 14.673 1.00 0.00 O ATOM 223 ND2 ASN A 13 -0.951 -0.657 13.978 1.00 0.00 N ATOM 0 H ASN A 13 1.706 -1.065 9.958 1.00 0.00 H new ATOM 0 HA ASN A 13 1.493 -0.875 12.148 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.921 -1.678 11.701 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.385 -3.272 12.193 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.172 -0.361 14.929 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.127 -0.029 13.194 1.00 0.00 H new ATOM 230 N ASN A 14 3.012 -3.539 11.610 1.00 0.00 N ATOM 231 CA ASN A 14 4.015 -4.513 12.089 1.00 0.00 C ATOM 232 C ASN A 14 5.370 -3.866 12.412 1.00 0.00 C ATOM 233 O ASN A 14 6.366 -4.558 12.643 1.00 0.00 O ATOM 234 CB ASN A 14 4.205 -5.690 11.093 1.00 0.00 C ATOM 235 CG ASN A 14 4.697 -5.284 9.701 1.00 0.00 C ATOM 236 OD1 ASN A 14 5.376 -4.274 9.525 1.00 0.00 O ATOM 237 ND2 ASN A 14 4.382 -6.082 8.716 1.00 0.00 N ATOM 0 H ASN A 14 2.933 -3.485 10.595 1.00 0.00 H new ATOM 0 HA ASN A 14 3.613 -4.911 13.021 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.915 -6.398 11.521 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.255 -6.215 10.988 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.701 -5.875 7.770 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.817 -6.913 8.893 1.00 0.00 H new ATOM 244 N GLY A 15 5.386 -2.556 12.500 1.00 0.00 N ATOM 245 CA GLY A 15 6.613 -1.841 12.756 1.00 0.00 C ATOM 246 C GLY A 15 7.177 -1.175 11.520 1.00 0.00 C ATOM 247 O GLY A 15 8.208 -0.507 11.588 1.00 0.00 O ATOM 0 H GLY A 15 4.562 -1.964 12.398 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.434 -1.085 13.520 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.353 -2.532 13.159 1.00 0.00 H new ATOM 251 N LYS A 16 6.535 -1.372 10.391 1.00 0.00 N ATOM 252 CA LYS A 16 6.898 -0.659 9.187 1.00 0.00 C ATOM 253 C LYS A 16 5.639 -0.275 8.459 1.00 0.00 C ATOM 254 O LYS A 16 4.591 -0.906 8.659 1.00 0.00 O ATOM 255 CB LYS A 16 7.867 -1.453 8.280 1.00 0.00 C ATOM 256 CG LYS A 16 7.315 -2.722 7.654 1.00 0.00 C ATOM 257 CD LYS A 16 8.403 -3.435 6.873 1.00 0.00 C ATOM 258 CE LYS A 16 7.917 -4.722 6.239 1.00 0.00 C ATOM 259 NZ LYS A 16 9.021 -5.447 5.556 1.00 0.00 N ATOM 0 H LYS A 16 5.757 -2.022 10.281 1.00 0.00 H new ATOM 0 HA LYS A 16 7.449 0.238 9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.203 -0.794 7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.747 -1.716 8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.924 -3.379 8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.483 -2.479 6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.781 -2.771 6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.238 -3.655 7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.479 -5.363 7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.128 -4.499 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.686 -6.383 5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.332 -4.904 4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.819 -5.562 6.213 1.00 0.00 H new ATOM 273 N TYR A 17 5.716 0.763 7.675 1.00 0.00 N ATOM 274 CA TYR A 17 4.582 1.289 6.941 1.00 0.00 C ATOM 275 C TYR A 17 4.979 1.513 5.517 1.00 0.00 C ATOM 276 O TYR A 17 6.086 1.937 5.248 1.00 0.00 O ATOM 277 CB TYR A 17 4.065 2.612 7.569 1.00 0.00 C ATOM 278 CG TYR A 17 3.228 2.426 8.827 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.746 1.810 9.953 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.903 2.834 8.866 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.986 1.607 11.068 1.00 0.00 C ATOM 282 CE2 TYR A 17 1.133 2.629 9.989 1.00 0.00 C ATOM 283 CZ TYR A 17 1.686 2.013 11.085 1.00 0.00 C ATOM 284 OH TYR A 17 0.931 1.790 12.197 1.00 0.00 O ATOM 0 H TYR A 17 6.580 1.282 7.520 1.00 0.00 H new ATOM 0 HA TYR A 17 3.770 0.563 6.988 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.920 3.246 7.806 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.470 3.144 6.827 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.775 1.483 9.949 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.469 3.319 8.004 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.414 1.126 11.935 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.102 2.950 10.008 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.019 1.807 11.956 1.00 0.00 H new ATOM 294 N VAL A 18 4.101 1.233 4.613 1.00 0.00 N ATOM 295 CA VAL A 18 4.395 1.415 3.216 1.00 0.00 C ATOM 296 C VAL A 18 3.772 2.709 2.753 1.00 0.00 C ATOM 297 O VAL A 18 2.628 3.026 3.117 1.00 0.00 O ATOM 298 CB VAL A 18 3.931 0.198 2.340 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.473 -0.112 2.546 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.214 0.435 0.861 1.00 0.00 C ATOM 0 H VAL A 18 3.166 0.875 4.810 1.00 0.00 H new ATOM 0 HA VAL A 18 5.476 1.467 3.091 1.00 0.00 H new ATOM 0 HB VAL A 18 4.511 -0.665 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.190 -0.960 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.298 -0.357 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.874 0.756 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.880 -0.427 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.680 1.324 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.285 0.578 0.714 1.00 0.00 H new ATOM 310 N LYS A 19 4.530 3.474 2.028 1.00 0.00 N ATOM 311 CA LYS A 19 4.079 4.742 1.563 1.00 0.00 C ATOM 312 C LYS A 19 3.565 4.583 0.157 1.00 0.00 C ATOM 313 O LYS A 19 4.302 4.162 -0.744 1.00 0.00 O ATOM 314 CB LYS A 19 5.217 5.746 1.604 1.00 0.00 C ATOM 315 CG LYS A 19 4.801 7.175 1.295 1.00 0.00 C ATOM 316 CD LYS A 19 5.990 8.112 1.345 1.00 0.00 C ATOM 317 CE LYS A 19 6.965 7.834 0.225 1.00 0.00 C ATOM 318 NZ LYS A 19 8.148 8.698 0.301 1.00 0.00 N ATOM 0 H LYS A 19 5.479 3.233 1.744 1.00 0.00 H new ATOM 0 HA LYS A 19 3.279 5.112 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.675 5.719 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.982 5.440 0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.342 7.218 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.047 7.501 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.644 9.144 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.497 8.006 2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.275 6.790 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.468 7.983 -0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.792 8.475 -0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.855 9.694 0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.637 8.538 1.205 1.00 0.00 H new ATOM 332 N VAL A 20 2.336 4.909 -0.031 1.00 0.00 N ATOM 333 CA VAL A 20 1.703 4.750 -1.296 1.00 0.00 C ATOM 334 C VAL A 20 1.183 6.097 -1.785 1.00 0.00 C ATOM 335 O VAL A 20 0.659 6.903 -1.012 1.00 0.00 O ATOM 336 CB VAL A 20 0.554 3.686 -1.217 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.502 4.078 -0.206 1.00 0.00 C ATOM 338 CG2 VAL A 20 -0.077 3.412 -2.583 1.00 0.00 C ATOM 0 H VAL A 20 1.734 5.298 0.695 1.00 0.00 H new ATOM 0 HA VAL A 20 2.435 4.382 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 20 1.016 2.758 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.281 3.316 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.047 4.165 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.940 5.035 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.867 2.669 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.498 4.335 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.684 3.037 -3.267 1.00 0.00 H new ATOM 348 N ARG A 21 1.382 6.357 -3.040 1.00 0.00 N ATOM 349 CA ARG A 21 0.897 7.552 -3.646 1.00 0.00 C ATOM 350 C ARG A 21 -0.460 7.250 -4.223 1.00 0.00 C ATOM 351 O ARG A 21 -0.599 6.388 -5.104 1.00 0.00 O ATOM 352 CB ARG A 21 1.856 8.027 -4.741 1.00 0.00 C ATOM 353 CG ARG A 21 1.477 9.351 -5.395 1.00 0.00 C ATOM 354 CD ARG A 21 2.501 9.727 -6.453 1.00 0.00 C ATOM 355 NE ARG A 21 2.240 11.037 -7.069 1.00 0.00 N ATOM 356 CZ ARG A 21 3.108 11.693 -7.863 1.00 0.00 C ATOM 357 NH1 ARG A 21 4.258 11.130 -8.204 1.00 0.00 N ATOM 358 NH2 ARG A 21 2.803 12.892 -8.332 1.00 0.00 N ATOM 0 H ARG A 21 1.889 5.740 -3.675 1.00 0.00 H new ATOM 0 HA ARG A 21 0.826 8.351 -2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.854 8.122 -4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.912 7.260 -5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.489 9.271 -5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.420 10.135 -4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.494 9.735 -6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.510 8.962 -7.230 1.00 0.00 H new ATOM 0 HE ARG A 21 1.340 11.479 -6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.489 10.196 -7.865 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.912 11.630 -8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.909 13.321 -8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.462 13.387 -8.933 1.00 0.00 H new ATOM 372 N ILE A 22 -1.441 7.901 -3.696 1.00 0.00 N ATOM 373 CA ILE A 22 -2.800 7.713 -4.105 1.00 0.00 C ATOM 374 C ILE A 22 -3.087 8.714 -5.176 1.00 0.00 C ATOM 375 O ILE A 22 -3.118 9.927 -4.900 1.00 0.00 O ATOM 376 CB ILE A 22 -3.796 7.984 -2.938 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.402 7.227 -1.661 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.232 7.634 -3.349 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.361 5.722 -1.792 1.00 0.00 C ATOM 0 H ILE A 22 -1.323 8.592 -2.955 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.924 6.683 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.748 9.050 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.420 7.575 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.106 7.488 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.907 7.832 -2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.524 8.242 -4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.287 6.579 -3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.073 5.281 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.346 5.355 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.634 5.443 -2.555 1.00 0.00 H new ATOM 391 N LEU A 23 -3.219 8.263 -6.384 1.00 0.00 N ATOM 392 CA LEU A 23 -3.594 9.152 -7.420 1.00 0.00 C ATOM 393 C LEU A 23 -5.094 9.120 -7.478 1.00 0.00 C ATOM 394 O LEU A 23 -5.697 8.160 -7.943 1.00 0.00 O ATOM 395 CB LEU A 23 -2.998 8.699 -8.748 1.00 0.00 C ATOM 396 CG LEU A 23 -1.474 8.569 -8.790 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.032 7.934 -10.092 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.817 9.926 -8.616 1.00 0.00 C ATOM 0 H LEU A 23 -3.073 7.294 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.228 10.161 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.432 7.734 -9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.304 9.405 -9.520 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.163 7.926 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.055 7.849 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.475 6.942 -10.182 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.358 8.553 -10.928 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.267 9.812 -8.649 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.137 10.591 -9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.108 10.351 -7.655 1.00 0.00 H new ATOM 410 N LYS A 24 -5.686 10.161 -7.048 1.00 0.00 N ATOM 411 CA LYS A 24 -7.088 10.223 -6.947 1.00 0.00 C ATOM 412 C LYS A 24 -7.584 10.921 -8.173 1.00 0.00 C ATOM 413 O LYS A 24 -7.413 12.137 -8.339 1.00 0.00 O ATOM 414 CB LYS A 24 -7.456 10.955 -5.663 1.00 0.00 C ATOM 415 CG LYS A 24 -8.903 10.844 -5.270 1.00 0.00 C ATOM 416 CD LYS A 24 -9.111 11.373 -3.866 1.00 0.00 C ATOM 417 CE LYS A 24 -10.512 11.095 -3.372 1.00 0.00 C ATOM 418 NZ LYS A 24 -10.838 9.652 -3.434 1.00 0.00 N ATOM 0 H LYS A 24 -5.204 11.009 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.550 9.237 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.842 10.567 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.204 12.009 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.521 11.404 -5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.222 9.803 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.388 10.913 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.924 12.447 -3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.612 11.447 -2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.228 11.656 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.677 9.460 -2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.033 9.382 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.034 9.099 -3.076 1.00 0.00 H new ATOM 432 N SER A 25 -8.159 10.158 -9.041 1.00 0.00 N ATOM 433 CA SER A 25 -8.539 10.645 -10.304 1.00 0.00 C ATOM 434 C SER A 25 -10.029 10.899 -10.383 1.00 0.00 C ATOM 435 O SER A 25 -10.815 10.042 -10.839 1.00 0.00 O ATOM 436 CB SER A 25 -8.085 9.666 -11.368 1.00 0.00 C ATOM 437 OG SER A 25 -6.710 9.342 -11.186 1.00 0.00 O ATOM 0 H SER A 25 -8.376 9.174 -8.883 1.00 0.00 H new ATOM 0 HA SER A 25 -8.055 11.607 -10.472 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.689 8.760 -11.320 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.236 10.097 -12.357 1.00 0.00 H new ATOM 0 HG SER A 25 -6.629 8.617 -10.531 1.00 0.00 H new ATOM 443 N ARG A 26 -10.424 12.045 -9.887 1.00 0.00 N ATOM 444 CA ARG A 26 -11.794 12.478 -9.984 1.00 0.00 C ATOM 445 C ARG A 26 -11.992 13.087 -11.362 1.00 0.00 C ATOM 446 O ARG A 26 -13.102 13.136 -11.901 1.00 0.00 O ATOM 447 CB ARG A 26 -12.124 13.476 -8.877 1.00 0.00 C ATOM 448 CG ARG A 26 -13.568 13.920 -8.870 1.00 0.00 C ATOM 449 CD ARG A 26 -13.880 14.783 -7.676 1.00 0.00 C ATOM 450 NE ARG A 26 -15.273 15.207 -7.685 1.00 0.00 N ATOM 451 CZ ARG A 26 -16.128 15.092 -6.667 1.00 0.00 C ATOM 452 NH1 ARG A 26 -15.779 14.444 -5.551 1.00 0.00 N ATOM 453 NH2 ARG A 26 -17.346 15.600 -6.782 1.00 0.00 N ATOM 0 H ARG A 26 -9.808 12.701 -9.407 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.471 11.634 -9.856 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.887 13.027 -7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.484 14.352 -8.987 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.783 14.473 -9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.218 13.045 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.671 14.231 -6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.230 15.658 -7.676 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.626 15.629 -8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.850 14.031 -5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.442 14.363 -4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.622 16.073 -7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.008 15.518 -6.010 1.00 0.00 H new ATOM 467 N ASP A 27 -10.873 13.512 -11.934 1.00 0.00 N ATOM 468 CA ASP A 27 -10.802 14.051 -13.288 1.00 0.00 C ATOM 469 C ASP A 27 -11.235 12.962 -14.255 1.00 0.00 C ATOM 470 O ASP A 27 -11.884 13.216 -15.275 1.00 0.00 O ATOM 471 CB ASP A 27 -9.358 14.458 -13.602 1.00 0.00 C ATOM 472 CG ASP A 27 -8.751 15.328 -12.529 1.00 0.00 C ATOM 473 OD1 ASP A 27 -8.871 16.565 -12.597 1.00 0.00 O ATOM 474 OD2 ASP A 27 -8.145 14.775 -11.578 1.00 0.00 O ATOM 0 H ASP A 27 -9.970 13.492 -11.461 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.449 14.923 -13.380 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.750 13.561 -13.723 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.334 14.991 -14.553 1.00 0.00 H new ATOM 479 N ASP A 28 -10.854 11.740 -13.917 1.00 0.00 N ATOM 480 CA ASP A 28 -11.269 10.554 -14.648 1.00 0.00 C ATOM 481 C ASP A 28 -12.708 10.253 -14.269 1.00 0.00 C ATOM 482 O ASP A 28 -13.602 10.293 -15.109 1.00 0.00 O ATOM 483 CB ASP A 28 -10.374 9.339 -14.291 1.00 0.00 C ATOM 484 CG ASP A 28 -8.924 9.467 -14.744 1.00 0.00 C ATOM 485 OD1 ASP A 28 -8.237 10.421 -14.336 1.00 0.00 O ATOM 486 OD2 ASP A 28 -8.428 8.583 -15.475 1.00 0.00 O ATOM 0 H ASP A 28 -10.245 11.543 -13.123 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.176 10.735 -15.719 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.393 9.195 -13.211 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.804 8.443 -14.739 1.00 0.00 H new ATOM 491 N ASN A 29 -12.925 10.010 -12.976 1.00 0.00 N ATOM 492 CA ASN A 29 -14.260 9.740 -12.416 1.00 0.00 C ATOM 493 C ASN A 29 -14.180 9.661 -10.896 1.00 0.00 C ATOM 494 O ASN A 29 -14.520 10.619 -10.191 1.00 0.00 O ATOM 495 CB ASN A 29 -14.890 8.446 -12.997 1.00 0.00 C ATOM 496 CG ASN A 29 -16.299 8.172 -12.464 1.00 0.00 C ATOM 497 OD1 ASN A 29 -17.039 9.086 -12.108 1.00 0.00 O ATOM 498 ND2 ASN A 29 -16.683 6.923 -12.431 1.00 0.00 N ATOM 0 H ASN A 29 -12.179 9.994 -12.280 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.911 10.566 -12.702 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.928 8.524 -14.084 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.247 7.598 -12.760 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.619 6.686 -12.103 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.046 6.186 -12.733 1.00 0.00 H new ATOM 505 N SER A 30 -13.718 8.533 -10.398 1.00 0.00 N ATOM 506 CA SER A 30 -13.530 8.297 -8.973 1.00 0.00 C ATOM 507 C SER A 30 -12.444 7.230 -8.816 1.00 0.00 C ATOM 508 O SER A 30 -12.393 6.502 -7.829 1.00 0.00 O ATOM 509 CB SER A 30 -14.855 7.803 -8.348 1.00 0.00 C ATOM 510 OG SER A 30 -15.911 8.745 -8.544 1.00 0.00 O ATOM 0 H SER A 30 -13.456 7.737 -10.979 1.00 0.00 H new ATOM 0 HA SER A 30 -13.233 9.215 -8.466 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.133 6.847 -8.791 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.713 7.631 -7.281 1.00 0.00 H new ATOM 0 HG SER A 30 -16.735 8.402 -8.139 1.00 0.00 H new ATOM 516 N VAL A 31 -11.538 7.216 -9.764 1.00 0.00 N ATOM 517 CA VAL A 31 -10.544 6.166 -9.859 1.00 0.00 C ATOM 518 C VAL A 31 -9.326 6.502 -9.017 1.00 0.00 C ATOM 519 O VAL A 31 -8.611 7.453 -9.312 1.00 0.00 O ATOM 520 CB VAL A 31 -10.075 5.967 -11.329 1.00 0.00 C ATOM 521 CG1 VAL A 31 -9.190 4.736 -11.464 1.00 0.00 C ATOM 522 CG2 VAL A 31 -11.252 5.894 -12.286 1.00 0.00 C ATOM 0 H VAL A 31 -11.466 7.928 -10.491 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.011 5.251 -9.496 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.482 6.840 -11.600 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.879 4.624 -12.503 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.310 4.850 -10.831 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.747 3.852 -11.155 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.886 5.755 -13.303 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.892 5.055 -12.013 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.824 6.820 -12.230 1.00 0.00 H new ATOM 532 N GLU A 32 -9.105 5.770 -7.965 1.00 0.00 N ATOM 533 CA GLU A 32 -7.901 5.954 -7.208 1.00 0.00 C ATOM 534 C GLU A 32 -6.855 4.995 -7.728 1.00 0.00 C ATOM 535 O GLU A 32 -6.932 3.789 -7.506 1.00 0.00 O ATOM 536 CB GLU A 32 -8.115 5.760 -5.716 1.00 0.00 C ATOM 537 CG GLU A 32 -9.133 6.702 -5.111 1.00 0.00 C ATOM 538 CD GLU A 32 -9.175 6.600 -3.616 1.00 0.00 C ATOM 539 OE1 GLU A 32 -9.242 5.471 -3.092 1.00 0.00 O ATOM 540 OE2 GLU A 32 -9.169 7.649 -2.936 1.00 0.00 O ATOM 0 H GLU A 32 -9.734 5.048 -7.614 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.568 6.984 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.434 4.733 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.163 5.893 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.894 7.726 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.120 6.479 -5.517 1.00 0.00 H new ATOM 547 N LYS A 33 -5.931 5.521 -8.462 1.00 0.00 N ATOM 548 CA LYS A 33 -4.880 4.751 -9.047 1.00 0.00 C ATOM 549 C LYS A 33 -3.759 4.698 -8.040 1.00 0.00 C ATOM 550 O LYS A 33 -3.195 5.727 -7.667 1.00 0.00 O ATOM 551 CB LYS A 33 -4.415 5.412 -10.358 1.00 0.00 C ATOM 552 CG LYS A 33 -5.553 5.684 -11.329 1.00 0.00 C ATOM 553 CD LYS A 33 -5.112 6.528 -12.513 1.00 0.00 C ATOM 554 CE LYS A 33 -6.309 6.906 -13.370 1.00 0.00 C ATOM 555 NZ LYS A 33 -5.957 7.837 -14.461 1.00 0.00 N ATOM 0 H LYS A 33 -5.883 6.517 -8.677 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.214 3.743 -9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.912 6.351 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.680 4.768 -10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.954 4.737 -11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.362 6.193 -10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.611 7.429 -12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.388 5.976 -13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.746 6.003 -13.796 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.072 7.363 -12.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.823 8.141 -14.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.472 8.668 -14.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.328 7.358 -15.136 1.00 0.00 H new ATOM 569 N TYR A 34 -3.483 3.540 -7.559 1.00 0.00 N ATOM 570 CA TYR A 34 -2.489 3.380 -6.549 1.00 0.00 C ATOM 571 C TYR A 34 -1.152 3.142 -7.215 1.00 0.00 C ATOM 572 O TYR A 34 -1.086 2.495 -8.272 1.00 0.00 O ATOM 573 CB TYR A 34 -2.887 2.235 -5.607 1.00 0.00 C ATOM 574 CG TYR A 34 -4.280 2.423 -5.014 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.534 3.436 -4.105 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.345 1.608 -5.391 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.797 3.632 -3.575 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.614 1.800 -4.867 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.830 2.817 -3.958 1.00 0.00 C ATOM 580 OH TYR A 34 -8.092 3.016 -3.426 1.00 0.00 O ATOM 0 H TYR A 34 -3.937 2.674 -7.851 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.407 4.280 -5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.852 1.292 -6.152 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.159 2.164 -4.799 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.728 4.088 -3.803 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.179 0.813 -6.103 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.968 4.425 -2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.429 1.158 -5.168 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.290 3.976 -3.403 1.00 0.00 H new ATOM 590 N VAL A 35 -0.102 3.698 -6.645 1.00 0.00 N ATOM 591 CA VAL A 35 1.224 3.580 -7.225 1.00 0.00 C ATOM 592 C VAL A 35 1.714 2.117 -7.181 1.00 0.00 C ATOM 593 O VAL A 35 1.352 1.349 -6.298 1.00 0.00 O ATOM 594 CB VAL A 35 2.250 4.541 -6.543 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.569 4.121 -5.123 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.518 4.721 -7.377 1.00 0.00 C ATOM 0 H VAL A 35 -0.140 4.237 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 35 1.150 3.884 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 35 1.767 5.516 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.286 4.818 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.655 4.124 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.996 3.118 -5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.200 5.397 -6.861 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.002 3.754 -7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.258 5.140 -8.349 1.00 0.00 H new ATOM 606 N LEU A 36 2.532 1.771 -8.143 1.00 0.00 N ATOM 607 CA LEU A 36 2.992 0.412 -8.352 1.00 0.00 C ATOM 608 C LEU A 36 4.188 0.044 -7.432 1.00 0.00 C ATOM 609 O LEU A 36 4.668 -1.099 -7.436 1.00 0.00 O ATOM 610 CB LEU A 36 3.345 0.251 -9.839 1.00 0.00 C ATOM 611 CG LEU A 36 3.539 -1.167 -10.372 1.00 0.00 C ATOM 612 CD1 LEU A 36 2.273 -1.991 -10.168 1.00 0.00 C ATOM 613 CD2 LEU A 36 3.891 -1.114 -11.845 1.00 0.00 C ATOM 0 H LEU A 36 2.907 2.436 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 36 2.196 -0.282 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.557 0.725 -10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.262 0.809 -10.029 1.00 0.00 H new ATOM 0 HG LEU A 36 4.353 -1.641 -9.823 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.429 -2.999 -10.553 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.039 -2.041 -9.105 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.445 -1.523 -10.700 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.029 -2.127 -12.223 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.085 -0.628 -12.395 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.813 -0.548 -11.979 1.00 0.00 H new ATOM 625 N THR A 37 4.674 1.006 -6.671 1.00 0.00 N ATOM 626 CA THR A 37 5.805 0.769 -5.802 1.00 0.00 C ATOM 627 C THR A 37 5.303 0.330 -4.414 1.00 0.00 C ATOM 628 O THR A 37 4.163 0.598 -4.040 1.00 0.00 O ATOM 629 CB THR A 37 6.748 2.025 -5.699 1.00 0.00 C ATOM 630 OG1 THR A 37 7.971 1.693 -5.014 1.00 0.00 O ATOM 631 CG2 THR A 37 6.077 3.184 -4.973 1.00 0.00 C ATOM 0 H THR A 37 4.303 1.956 -6.639 1.00 0.00 H new ATOM 0 HA THR A 37 6.407 -0.031 -6.234 1.00 0.00 H new ATOM 0 HB THR A 37 6.968 2.334 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.543 2.487 -4.962 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.763 4.029 -4.925 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.176 3.478 -5.512 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.811 2.875 -3.962 1.00 0.00 H new ATOM 639 N SER A 38 6.137 -0.373 -3.694 1.00 0.00 N ATOM 640 CA SER A 38 5.791 -0.896 -2.401 1.00 0.00 C ATOM 641 C SER A 38 6.859 -0.504 -1.364 1.00 0.00 C ATOM 642 O SER A 38 7.053 -1.194 -0.364 1.00 0.00 O ATOM 643 CB SER A 38 5.655 -2.409 -2.524 1.00 0.00 C ATOM 644 OG SER A 38 4.744 -2.733 -3.584 1.00 0.00 O ATOM 0 H SER A 38 7.085 -0.600 -3.993 1.00 0.00 H new ATOM 0 HA SER A 38 4.845 -0.477 -2.058 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.630 -2.856 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.297 -2.828 -1.584 1.00 0.00 H new ATOM 0 HG SER A 38 4.662 -3.707 -3.659 1.00 0.00 H new ATOM 650 N HIS A 39 7.549 0.613 -1.630 1.00 0.00 N ATOM 651 CA HIS A 39 8.600 1.128 -0.728 1.00 0.00 C ATOM 652 C HIS A 39 8.099 1.392 0.686 1.00 0.00 C ATOM 653 O HIS A 39 7.105 2.112 0.904 1.00 0.00 O ATOM 654 CB HIS A 39 9.291 2.374 -1.290 1.00 0.00 C ATOM 655 CG HIS A 39 10.376 2.078 -2.283 1.00 0.00 C ATOM 656 ND1 HIS A 39 11.482 2.878 -2.445 1.00 0.00 N ATOM 657 CD2 HIS A 39 10.526 1.059 -3.163 1.00 0.00 C ATOM 658 CE1 HIS A 39 12.259 2.365 -3.375 1.00 0.00 C ATOM 659 NE2 HIS A 39 11.704 1.263 -3.827 1.00 0.00 N ATOM 0 H HIS A 39 7.401 1.182 -2.464 1.00 0.00 H new ATOM 0 HA HIS A 39 9.338 0.328 -0.667 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.542 3.008 -1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.715 2.945 -0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.842 0.237 -3.313 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.197 2.781 -3.711 1.00 0.00 H new ATOM 0 HE2 HIS A 39 12.089 0.659 -4.554 1.00 0.00 H new ATOM 668 N VAL A 40 8.810 0.835 1.636 1.00 0.00 N ATOM 669 CA VAL A 40 8.435 0.904 3.029 1.00 0.00 C ATOM 670 C VAL A 40 9.301 1.844 3.845 1.00 0.00 C ATOM 671 O VAL A 40 10.495 2.006 3.597 1.00 0.00 O ATOM 672 CB VAL A 40 8.400 -0.496 3.708 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.164 -1.251 3.288 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.639 -1.313 3.345 1.00 0.00 C ATOM 0 H VAL A 40 9.672 0.317 1.464 1.00 0.00 H new ATOM 0 HA VAL A 40 7.425 1.313 3.017 1.00 0.00 H new ATOM 0 HB VAL A 40 8.384 -0.342 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.153 -2.228 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.277 -0.690 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.167 -1.381 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.589 -2.286 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.681 -1.450 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.533 -0.786 3.678 1.00 0.00 H new ATOM 684 N SER A 41 8.677 2.446 4.808 1.00 0.00 N ATOM 685 CA SER A 41 9.286 3.307 5.765 1.00 0.00 C ATOM 686 C SER A 41 9.234 2.566 7.099 1.00 0.00 C ATOM 687 O SER A 41 8.386 1.684 7.286 1.00 0.00 O ATOM 688 CB SER A 41 8.501 4.636 5.836 1.00 0.00 C ATOM 689 OG SER A 41 9.095 5.566 6.740 1.00 0.00 O ATOM 0 H SER A 41 7.673 2.342 4.953 1.00 0.00 H new ATOM 0 HA SER A 41 10.315 3.551 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.451 5.080 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.476 4.434 6.147 1.00 0.00 H new ATOM 0 HG SER A 41 8.568 6.392 6.753 1.00 0.00 H new ATOM 695 N LYS A 42 10.110 2.891 8.008 1.00 0.00 N ATOM 696 CA LYS A 42 10.180 2.161 9.263 1.00 0.00 C ATOM 697 C LYS A 42 9.668 2.988 10.429 1.00 0.00 C ATOM 698 O LYS A 42 9.885 2.644 11.595 1.00 0.00 O ATOM 699 CB LYS A 42 11.605 1.660 9.507 1.00 0.00 C ATOM 700 CG LYS A 42 12.670 2.742 9.484 1.00 0.00 C ATOM 701 CD LYS A 42 14.045 2.133 9.620 1.00 0.00 C ATOM 702 CE LYS A 42 15.136 3.180 9.562 1.00 0.00 C ATOM 703 NZ LYS A 42 16.468 2.566 9.600 1.00 0.00 N ATOM 0 H LYS A 42 10.785 3.650 7.914 1.00 0.00 H new ATOM 0 HA LYS A 42 9.523 1.295 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.638 1.157 10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.848 0.914 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.605 3.304 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.497 3.449 10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.111 1.593 10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.199 1.404 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.030 3.768 8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.027 3.869 10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.194 3.309 9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.576 2.025 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.579 1.928 8.787 1.00 0.00 H new ATOM 717 N ASN A 43 8.969 4.049 10.116 1.00 0.00 N ATOM 718 CA ASN A 43 8.408 4.920 11.128 1.00 0.00 C ATOM 719 C ASN A 43 6.915 4.963 11.017 1.00 0.00 C ATOM 720 O ASN A 43 6.353 4.630 9.970 1.00 0.00 O ATOM 721 CB ASN A 43 8.993 6.336 11.061 1.00 0.00 C ATOM 722 CG ASN A 43 10.404 6.411 11.601 1.00 0.00 C ATOM 723 OD1 ASN A 43 10.612 6.658 12.786 1.00 0.00 O ATOM 724 ND2 ASN A 43 11.376 6.216 10.755 1.00 0.00 N ATOM 0 H ASN A 43 8.771 4.336 9.158 1.00 0.00 H new ATOM 0 HA ASN A 43 8.679 4.503 12.098 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.986 6.679 10.026 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.355 7.015 11.627 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.345 6.267 11.071 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.168 6.013 9.777 1.00 0.00 H new ATOM 731 N ARG A 44 6.276 5.363 12.086 1.00 0.00 N ATOM 732 CA ARG A 44 4.840 5.426 12.144 1.00 0.00 C ATOM 733 C ARG A 44 4.411 6.883 12.235 1.00 0.00 C ATOM 734 O ARG A 44 4.611 7.517 13.270 1.00 0.00 O ATOM 735 CB ARG A 44 4.324 4.671 13.374 1.00 0.00 C ATOM 736 CG ARG A 44 4.783 3.227 13.456 1.00 0.00 C ATOM 737 CD ARG A 44 4.149 2.510 14.635 1.00 0.00 C ATOM 738 NE ARG A 44 2.681 2.451 14.530 1.00 0.00 N ATOM 739 CZ ARG A 44 1.865 2.004 15.488 1.00 0.00 C ATOM 740 NH1 ARG A 44 2.354 1.492 16.605 1.00 0.00 N ATOM 741 NH2 ARG A 44 0.557 2.040 15.306 1.00 0.00 N ATOM 0 H ARG A 44 6.741 5.656 12.945 1.00 0.00 H new ATOM 0 HA ARG A 44 4.426 4.966 11.247 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.651 5.196 14.272 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.234 4.694 13.370 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.526 2.709 12.532 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.869 3.193 13.549 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.547 1.497 14.699 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.425 3.020 15.558 1.00 0.00 H new ATOM 0 HE ARG A 44 2.256 2.776 13.661 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.363 1.436 16.741 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.722 1.153 17.330 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.173 2.408 14.436 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.069 1.699 16.036 1.00 0.00 H new ATOM 755 N PRO A 45 3.876 7.452 11.156 1.00 0.00 N ATOM 756 CA PRO A 45 3.410 8.824 11.154 1.00 0.00 C ATOM 757 C PRO A 45 1.973 8.939 11.683 1.00 0.00 C ATOM 758 O PRO A 45 1.060 8.237 11.227 1.00 0.00 O ATOM 759 CB PRO A 45 3.476 9.235 9.677 1.00 0.00 C ATOM 760 CG PRO A 45 3.789 7.982 8.900 1.00 0.00 C ATOM 761 CD PRO A 45 3.690 6.822 9.852 1.00 0.00 C ATOM 0 HA PRO A 45 4.011 9.460 11.803 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.530 9.668 9.352 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.244 9.992 9.519 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.090 7.859 8.073 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.788 8.039 8.468 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.724 6.321 9.779 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.454 6.071 9.654 1.00 0.00 H new ATOM 769 N LYS A 46 1.777 9.812 12.638 1.00 0.00 N ATOM 770 CA LYS A 46 0.469 9.998 13.241 1.00 0.00 C ATOM 771 C LYS A 46 -0.235 11.196 12.619 1.00 0.00 C ATOM 772 O LYS A 46 -1.452 11.287 12.620 1.00 0.00 O ATOM 773 CB LYS A 46 0.617 10.183 14.754 1.00 0.00 C ATOM 774 CG LYS A 46 -0.692 10.241 15.527 1.00 0.00 C ATOM 775 CD LYS A 46 -0.447 10.439 17.018 1.00 0.00 C ATOM 776 CE LYS A 46 0.312 9.269 17.658 1.00 0.00 C ATOM 777 NZ LYS A 46 -0.432 7.989 17.587 1.00 0.00 N ATOM 0 H LYS A 46 2.508 10.412 13.021 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.139 9.112 13.055 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.218 9.363 15.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.172 11.103 14.940 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.306 11.057 15.146 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.252 9.319 15.368 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.118 11.359 17.169 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.404 10.566 17.525 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.275 9.152 17.160 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.520 9.505 18.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.089 7.255 18.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.374 8.111 18.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.534 7.701 16.593 1.00 0.00 H new ATOM 791 N ASN A 47 0.539 12.102 12.063 1.00 0.00 N ATOM 792 CA ASN A 47 -0.014 13.308 11.445 1.00 0.00 C ATOM 793 C ASN A 47 -0.229 13.110 9.961 1.00 0.00 C ATOM 794 O ASN A 47 -0.426 14.072 9.210 1.00 0.00 O ATOM 795 CB ASN A 47 0.877 14.533 11.682 1.00 0.00 C ATOM 796 CG ASN A 47 0.931 14.973 13.130 1.00 0.00 C ATOM 797 OD1 ASN A 47 1.790 14.523 13.896 1.00 0.00 O ATOM 798 ND2 ASN A 47 0.041 15.856 13.519 1.00 0.00 N ATOM 0 H ASN A 47 1.556 12.035 12.021 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.977 13.492 11.922 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.888 14.308 11.342 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.512 15.360 11.073 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.044 16.193 14.482 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.653 16.205 12.859 1.00 0.00 H new ATOM 805 N ALA A 48 -0.227 11.880 9.544 1.00 0.00 N ATOM 806 CA ALA A 48 -0.438 11.544 8.168 1.00 0.00 C ATOM 807 C ALA A 48 -1.597 10.592 8.084 1.00 0.00 C ATOM 808 O ALA A 48 -1.959 9.964 9.092 1.00 0.00 O ATOM 809 CB ALA A 48 0.811 10.930 7.555 1.00 0.00 C ATOM 0 H ALA A 48 -0.078 11.076 10.153 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.660 12.449 7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.621 10.685 6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.634 11.642 7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.074 10.022 8.098 1.00 0.00 H new ATOM 815 N ILE A 49 -2.166 10.467 6.923 1.00 0.00 N ATOM 816 CA ILE A 49 -3.295 9.596 6.737 1.00 0.00 C ATOM 817 C ILE A 49 -2.810 8.171 6.527 1.00 0.00 C ATOM 818 O ILE A 49 -2.007 7.893 5.621 1.00 0.00 O ATOM 819 CB ILE A 49 -4.185 10.043 5.534 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.747 11.469 5.753 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.323 9.049 5.281 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.614 11.630 6.993 1.00 0.00 C ATOM 0 H ILE A 49 -1.866 10.960 6.082 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.911 9.649 7.635 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.549 10.060 4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.912 12.167 5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.333 11.752 4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.923 9.390 4.437 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.906 8.068 5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.951 8.981 6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.962 12.661 7.063 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.472 10.961 6.926 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.030 11.383 7.880 1.00 0.00 H new ATOM 834 N VAL A 50 -3.253 7.295 7.389 1.00 0.00 N ATOM 835 CA VAL A 50 -2.905 5.910 7.314 1.00 0.00 C ATOM 836 C VAL A 50 -4.117 5.092 6.906 1.00 0.00 C ATOM 837 O VAL A 50 -5.182 5.163 7.523 1.00 0.00 O ATOM 838 CB VAL A 50 -2.260 5.359 8.632 1.00 0.00 C ATOM 839 CG1 VAL A 50 -0.941 6.061 8.912 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.195 5.503 9.833 1.00 0.00 C ATOM 0 H VAL A 50 -3.870 7.529 8.167 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.134 5.814 6.550 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.078 4.295 8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.507 5.666 9.831 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.254 5.889 8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.115 7.131 9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.706 5.108 10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.432 6.556 9.986 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.114 4.948 9.647 1.00 0.00 H new ATOM 850 N ILE A 51 -3.977 4.372 5.847 1.00 0.00 N ATOM 851 CA ILE A 51 -5.044 3.556 5.342 1.00 0.00 C ATOM 852 C ILE A 51 -4.671 2.115 5.600 1.00 0.00 C ATOM 853 O ILE A 51 -3.545 1.736 5.370 1.00 0.00 O ATOM 854 CB ILE A 51 -5.262 3.790 3.820 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.478 5.286 3.532 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.453 2.985 3.334 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.707 5.617 2.066 1.00 0.00 C ATOM 0 H ILE A 51 -3.118 4.327 5.299 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.977 3.814 5.843 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.371 3.460 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.335 5.634 4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.609 5.841 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.597 3.156 2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.272 1.925 3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.347 3.295 3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.850 6.692 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.841 5.303 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.594 5.094 1.709 1.00 0.00 H new ATOM 869 N LYS A 52 -5.569 1.327 6.108 1.00 0.00 N ATOM 870 CA LYS A 52 -5.229 -0.037 6.429 1.00 0.00 C ATOM 871 C LYS A 52 -5.507 -0.941 5.211 1.00 0.00 C ATOM 872 O LYS A 52 -6.380 -0.625 4.399 1.00 0.00 O ATOM 873 CB LYS A 52 -5.976 -0.469 7.688 1.00 0.00 C ATOM 874 CG LYS A 52 -5.391 -1.683 8.378 1.00 0.00 C ATOM 875 CD LYS A 52 -6.035 -1.896 9.733 1.00 0.00 C ATOM 876 CE LYS A 52 -5.410 -3.051 10.486 1.00 0.00 C ATOM 877 NZ LYS A 52 -3.970 -2.836 10.743 1.00 0.00 N ATOM 0 H LYS A 52 -6.533 1.594 6.309 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.165 -0.127 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.988 0.363 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.013 -0.680 7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.540 -2.566 7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.315 -1.555 8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.942 -0.985 10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.101 -2.084 9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.930 -3.188 11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.542 -3.969 9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.717 -3.244 11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.412 -3.296 9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.767 -1.816 10.748 1.00 0.00 H new ATOM 891 N MET A 53 -4.767 -2.061 5.107 1.00 0.00 N ATOM 892 CA MET A 53 -4.773 -2.971 3.917 1.00 0.00 C ATOM 893 C MET A 53 -6.166 -3.412 3.487 1.00 0.00 C ATOM 894 O MET A 53 -6.420 -3.617 2.298 1.00 0.00 O ATOM 895 CB MET A 53 -3.900 -4.208 4.162 1.00 0.00 C ATOM 896 CG MET A 53 -2.422 -3.904 4.367 1.00 0.00 C ATOM 897 SD MET A 53 -1.411 -5.385 4.601 1.00 0.00 S ATOM 898 CE MET A 53 -2.146 -6.083 6.078 1.00 0.00 C ATOM 0 H MET A 53 -4.138 -2.374 5.847 1.00 0.00 H new ATOM 0 HA MET A 53 -4.359 -2.378 3.102 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.275 -4.735 5.039 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.005 -4.885 3.315 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.049 -3.351 3.505 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.309 -3.255 5.235 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.455 -6.798 6.525 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.355 -5.286 6.792 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.075 -6.590 5.817 1.00 0.00 H new ATOM 908 N ASP A 54 -7.054 -3.540 4.452 1.00 0.00 N ATOM 909 CA ASP A 54 -8.461 -3.932 4.223 1.00 0.00 C ATOM 910 C ASP A 54 -9.167 -3.000 3.225 1.00 0.00 C ATOM 911 O ASP A 54 -10.063 -3.413 2.485 1.00 0.00 O ATOM 912 CB ASP A 54 -9.213 -3.931 5.557 1.00 0.00 C ATOM 913 CG ASP A 54 -10.680 -4.288 5.435 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.999 -5.479 5.235 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.539 -3.387 5.560 1.00 0.00 O ATOM 0 H ASP A 54 -6.833 -3.377 5.434 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.463 -4.933 3.791 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.732 -4.637 6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.126 -2.944 6.011 1.00 0.00 H new ATOM 920 N ASN A 55 -8.717 -1.767 3.166 1.00 0.00 N ATOM 921 CA ASN A 55 -9.329 -0.761 2.306 1.00 0.00 C ATOM 922 C ASN A 55 -8.766 -0.819 0.870 1.00 0.00 C ATOM 923 O ASN A 55 -9.315 -0.214 -0.047 1.00 0.00 O ATOM 924 CB ASN A 55 -9.106 0.632 2.919 1.00 0.00 C ATOM 925 CG ASN A 55 -9.823 1.765 2.188 1.00 0.00 C ATOM 926 OD1 ASN A 55 -10.975 2.065 2.475 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.138 2.433 1.301 1.00 0.00 N ATOM 0 H ASN A 55 -7.921 -1.428 3.707 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.398 -0.966 2.239 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.440 0.617 3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.037 0.843 2.931 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.560 3.230 0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.180 2.158 1.084 1.00 0.00 H new ATOM 934 N LEU A 56 -7.700 -1.560 0.678 1.00 0.00 N ATOM 935 CA LEU A 56 -7.041 -1.608 -0.621 1.00 0.00 C ATOM 936 C LEU A 56 -7.381 -2.890 -1.373 1.00 0.00 C ATOM 937 O LEU A 56 -7.503 -3.954 -0.756 1.00 0.00 O ATOM 938 CB LEU A 56 -5.501 -1.474 -0.494 1.00 0.00 C ATOM 939 CG LEU A 56 -4.927 -0.120 -0.020 1.00 0.00 C ATOM 940 CD1 LEU A 56 -5.426 1.031 -0.878 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.205 0.132 1.448 1.00 0.00 C ATOM 0 H LEU A 56 -7.266 -2.139 1.397 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.416 -0.756 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.155 -2.243 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.065 -1.699 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.845 -0.178 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.001 1.967 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.122 0.872 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.513 1.081 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.784 1.095 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.282 0.141 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.750 -0.658 2.045 1.00 0.00 H new ATOM 953 N PRO A 57 -7.540 -2.806 -2.718 1.00 0.00 N ATOM 954 CA PRO A 57 -7.814 -3.975 -3.576 1.00 0.00 C ATOM 955 C PRO A 57 -6.721 -5.056 -3.469 1.00 0.00 C ATOM 956 O PRO A 57 -5.594 -4.791 -2.977 1.00 0.00 O ATOM 957 CB PRO A 57 -7.832 -3.382 -4.990 1.00 0.00 C ATOM 958 CG PRO A 57 -8.166 -1.953 -4.792 1.00 0.00 C ATOM 959 CD PRO A 57 -7.503 -1.558 -3.511 1.00 0.00 C ATOM 0 HA PRO A 57 -8.740 -4.475 -3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.866 -3.499 -5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.571 -3.878 -5.619 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.805 -1.347 -5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.245 -1.807 -4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.482 -1.214 -3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.036 -0.748 -3.014 1.00 0.00 H new ATOM 967 N ILE A 58 -7.032 -6.255 -3.948 1.00 0.00 N ATOM 968 CA ILE A 58 -6.123 -7.380 -3.839 1.00 0.00 C ATOM 969 C ILE A 58 -4.818 -7.171 -4.587 1.00 0.00 C ATOM 970 O ILE A 58 -3.806 -7.634 -4.142 1.00 0.00 O ATOM 971 CB ILE A 58 -6.781 -8.782 -4.153 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.442 -8.877 -5.555 1.00 0.00 C ATOM 973 CG2 ILE A 58 -7.776 -9.167 -3.075 1.00 0.00 C ATOM 974 CD1 ILE A 58 -6.483 -9.084 -6.714 1.00 0.00 C ATOM 0 H ILE A 58 -7.912 -6.469 -4.417 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.869 -7.416 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.955 -9.493 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.157 -9.699 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.009 -7.963 -5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.215 -10.136 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.266 -9.227 -2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.563 -8.415 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.045 -9.137 -7.646 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.782 -8.251 -6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.932 -10.014 -6.569 1.00 0.00 H new ATOM 986 N GLU A 59 -4.853 -6.428 -5.690 1.00 0.00 N ATOM 987 CA GLU A 59 -3.660 -6.154 -6.484 1.00 0.00 C ATOM 988 C GLU A 59 -2.660 -5.363 -5.671 1.00 0.00 C ATOM 989 O GLU A 59 -1.458 -5.636 -5.710 1.00 0.00 O ATOM 990 CB GLU A 59 -3.977 -5.371 -7.775 1.00 0.00 C ATOM 991 CG GLU A 59 -5.037 -5.991 -8.669 1.00 0.00 C ATOM 992 CD GLU A 59 -6.441 -5.547 -8.338 1.00 0.00 C ATOM 993 OE1 GLU A 59 -6.879 -5.679 -7.188 1.00 0.00 O ATOM 994 OE2 GLU A 59 -7.130 -5.037 -9.241 1.00 0.00 O ATOM 0 H GLU A 59 -5.704 -6.001 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.245 -7.122 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.299 -4.367 -7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.057 -5.265 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.820 -5.737 -9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.979 -7.076 -8.588 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.169 -4.411 -4.910 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.343 -3.556 -4.081 1.00 0.00 C ATOM 1003 C VAL A 60 -1.751 -4.385 -2.957 1.00 0.00 C ATOM 1004 O VAL A 60 -0.542 -4.363 -2.729 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.156 -2.374 -3.487 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -2.255 -1.437 -2.685 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.879 -1.610 -4.584 1.00 0.00 C ATOM 0 H VAL A 60 -4.167 -4.210 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.552 -3.134 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.902 -2.789 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.850 -0.618 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.793 -1.989 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.478 -1.034 -3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.442 -0.787 -4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.151 -1.214 -5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.563 -2.280 -5.104 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.606 -5.167 -2.299 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.166 -6.043 -1.213 1.00 0.00 C ATOM 1019 C LYS A 61 -1.166 -7.073 -1.718 1.00 0.00 C ATOM 1020 O LYS A 61 -0.214 -7.431 -1.023 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.346 -6.738 -0.526 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.268 -5.790 0.222 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.200 -6.557 1.165 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.302 -7.326 0.436 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.481 -6.478 0.156 1.00 0.00 N ATOM 0 H LYS A 61 -3.605 -5.212 -2.498 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.675 -5.413 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.925 -7.276 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.961 -7.481 0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.675 -5.076 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.859 -5.215 -0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.610 -7.256 1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.657 -5.855 1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.909 -7.720 -0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.606 -8.181 1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.968 -6.830 -0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.132 -6.510 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.173 -5.497 -0.002 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.384 -7.510 -2.930 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.503 -8.451 -3.625 1.00 0.00 C ATOM 1041 C ASP A 62 0.872 -7.847 -3.803 1.00 0.00 C ATOM 1042 O ASP A 62 1.880 -8.492 -3.527 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.082 -8.817 -4.995 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.193 -9.731 -5.797 1.00 0.00 C ATOM 1045 OD1 ASP A 62 -0.275 -10.961 -5.614 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.588 -9.227 -6.661 1.00 0.00 O ATOM 0 H ASP A 62 -2.191 -7.225 -3.485 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.424 -9.354 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.051 -9.296 -4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.257 -7.903 -5.563 1.00 0.00 H new ATOM 1051 N LYS A 63 0.906 -6.585 -4.231 1.00 0.00 N ATOM 1052 CA LYS A 63 2.160 -5.860 -4.411 1.00 0.00 C ATOM 1053 C LYS A 63 2.888 -5.776 -3.091 1.00 0.00 C ATOM 1054 O LYS A 63 4.087 -6.093 -3.003 1.00 0.00 O ATOM 1055 CB LYS A 63 1.910 -4.440 -4.944 1.00 0.00 C ATOM 1056 CG LYS A 63 1.251 -4.318 -6.326 1.00 0.00 C ATOM 1057 CD LYS A 63 2.196 -4.594 -7.515 1.00 0.00 C ATOM 1058 CE LYS A 63 2.544 -6.069 -7.712 1.00 0.00 C ATOM 1059 NZ LYS A 63 1.337 -6.910 -7.885 1.00 0.00 N ATOM 0 H LYS A 63 0.073 -6.043 -4.460 1.00 0.00 H new ATOM 0 HA LYS A 63 2.764 -6.400 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.285 -3.913 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.866 -3.918 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.412 -5.012 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.840 -3.314 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.733 -4.217 -8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.118 -4.031 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.187 -6.175 -8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.112 -6.424 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.265 -7.581 -7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.492 -6.304 -7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.406 -7.436 -8.779 1.00 0.00 H new ATOM 1073 N LEU A 64 2.150 -5.395 -2.068 1.00 0.00 N ATOM 1074 CA LEU A 64 2.683 -5.249 -0.729 1.00 0.00 C ATOM 1075 C LEU A 64 3.245 -6.577 -0.234 1.00 0.00 C ATOM 1076 O LEU A 64 4.339 -6.639 0.350 1.00 0.00 O ATOM 1077 CB LEU A 64 1.586 -4.755 0.227 1.00 0.00 C ATOM 1078 CG LEU A 64 0.861 -3.457 -0.170 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.110 -3.024 0.914 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.844 -2.342 -0.502 1.00 0.00 C ATOM 0 H LEU A 64 1.157 -5.176 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 64 3.488 -4.515 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.841 -5.544 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.032 -4.609 1.211 1.00 0.00 H new ATOM 0 HG LEU A 64 0.289 -3.665 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.609 -2.104 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.853 -3.806 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.435 -2.850 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.294 -1.442 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.466 -2.135 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.476 -2.650 -1.335 1.00 0.00 H new ATOM 1092 N THR A 65 2.527 -7.633 -0.512 1.00 0.00 N ATOM 1093 CA THR A 65 2.920 -8.939 -0.095 1.00 0.00 C ATOM 1094 C THR A 65 4.161 -9.422 -0.829 1.00 0.00 C ATOM 1095 O THR A 65 5.162 -9.760 -0.189 1.00 0.00 O ATOM 1096 CB THR A 65 1.761 -9.946 -0.206 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.638 -9.443 0.541 1.00 0.00 O ATOM 1098 CG2 THR A 65 2.158 -11.305 0.354 1.00 0.00 C ATOM 0 H THR A 65 1.652 -7.604 -1.036 1.00 0.00 H new ATOM 0 HA THR A 65 3.184 -8.869 0.960 1.00 0.00 H new ATOM 0 HB THR A 65 1.505 -10.068 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.170 -8.765 0.011 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.320 -11.995 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.011 -11.693 -0.203 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.429 -11.201 1.405 1.00 0.00 H new ATOM 1106 N ARG A 66 4.119 -9.375 -2.146 1.00 0.00 N ATOM 1107 CA ARG A 66 5.212 -9.842 -2.982 1.00 0.00 C ATOM 1108 C ARG A 66 6.512 -9.085 -2.768 1.00 0.00 C ATOM 1109 O ARG A 66 7.589 -9.623 -3.027 1.00 0.00 O ATOM 1110 CB ARG A 66 4.819 -9.857 -4.450 1.00 0.00 C ATOM 1111 CG ARG A 66 3.979 -11.055 -4.841 1.00 0.00 C ATOM 1112 CD ARG A 66 3.535 -10.958 -6.281 1.00 0.00 C ATOM 1113 NE ARG A 66 3.104 -12.252 -6.830 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.239 -12.390 -7.843 1.00 0.00 C ATOM 1115 NH1 ARG A 66 1.385 -11.411 -8.126 1.00 0.00 N ATOM 1116 NH2 ARG A 66 2.160 -13.541 -8.499 1.00 0.00 N ATOM 0 H ARG A 66 3.323 -9.011 -2.670 1.00 0.00 H new ATOM 0 HA ARG A 66 5.408 -10.867 -2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.266 -8.946 -4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.723 -9.843 -5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.553 -11.970 -4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.106 -11.119 -4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.715 -10.244 -6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.354 -10.567 -6.884 1.00 0.00 H new ATOM 0 HE ARG A 66 3.489 -13.099 -6.412 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.389 -10.555 -7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.726 -11.516 -8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.759 -14.322 -8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.501 -13.644 -9.270 1.00 0.00 H new ATOM 1130 N PHE A 67 6.429 -7.861 -2.299 1.00 0.00 N ATOM 1131 CA PHE A 67 7.630 -7.121 -2.035 1.00 0.00 C ATOM 1132 C PHE A 67 8.092 -7.359 -0.604 1.00 0.00 C ATOM 1133 O PHE A 67 9.192 -7.870 -0.382 1.00 0.00 O ATOM 1134 CB PHE A 67 7.444 -5.615 -2.297 1.00 0.00 C ATOM 1135 CG PHE A 67 8.735 -4.811 -2.257 1.00 0.00 C ATOM 1136 CD1 PHE A 67 9.614 -4.857 -3.325 1.00 0.00 C ATOM 1137 CD2 PHE A 67 9.067 -4.011 -1.163 1.00 0.00 C ATOM 1138 CE1 PHE A 67 10.790 -4.133 -3.307 1.00 0.00 C ATOM 1139 CE2 PHE A 67 10.239 -3.289 -1.147 1.00 0.00 C ATOM 1140 CZ PHE A 67 11.101 -3.350 -2.219 1.00 0.00 C ATOM 0 H PHE A 67 5.559 -7.369 -2.097 1.00 0.00 H new ATOM 0 HA PHE A 67 8.397 -7.480 -2.722 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.977 -5.482 -3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.754 -5.211 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.377 -5.467 -4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.396 -3.958 -0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.466 -4.181 -4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.483 -2.674 -0.293 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.021 -2.784 -2.206 1.00 0.00 H new ATOM 1150 N PHE A 68 7.242 -7.038 0.364 1.00 0.00 N ATOM 1151 CA PHE A 68 7.674 -7.085 1.746 1.00 0.00 C ATOM 1152 C PHE A 68 6.888 -8.036 2.670 1.00 0.00 C ATOM 1153 O PHE A 68 7.475 -8.591 3.590 1.00 0.00 O ATOM 1154 CB PHE A 68 7.730 -5.668 2.354 1.00 0.00 C ATOM 1155 CG PHE A 68 6.412 -4.935 2.367 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.498 -5.153 3.379 1.00 0.00 C ATOM 1157 CD2 PHE A 68 6.089 -4.034 1.371 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.303 -4.494 3.395 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.892 -3.369 1.386 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.997 -3.600 2.400 1.00 0.00 C ATOM 0 H PHE A 68 6.274 -6.750 0.219 1.00 0.00 H new ATOM 0 HA PHE A 68 8.673 -7.517 1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.100 -5.741 3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.454 -5.076 1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.732 -5.853 4.167 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.790 -3.852 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.597 -4.676 4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.653 -2.665 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.052 -3.078 2.415 1.00 0.00 H new ATOM 1170 N LEU A 69 5.580 -8.231 2.444 1.00 0.00 N ATOM 1171 CA LEU A 69 4.762 -8.977 3.433 1.00 0.00 C ATOM 1172 C LEU A 69 5.079 -10.473 3.439 1.00 0.00 C ATOM 1173 O LEU A 69 4.808 -11.154 4.414 1.00 0.00 O ATOM 1174 CB LEU A 69 3.257 -8.738 3.276 1.00 0.00 C ATOM 1175 CG LEU A 69 2.403 -8.943 4.534 1.00 0.00 C ATOM 1176 CD1 LEU A 69 2.774 -7.933 5.613 1.00 0.00 C ATOM 1177 CD2 LEU A 69 0.924 -8.848 4.195 1.00 0.00 C ATOM 0 H LEU A 69 5.075 -7.901 1.622 1.00 0.00 H new ATOM 0 HA LEU A 69 5.046 -8.571 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.107 -7.718 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.884 -9.403 2.497 1.00 0.00 H new ATOM 0 HG LEU A 69 2.604 -9.941 4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.155 -8.099 6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.824 -8.054 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.609 -6.923 5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.333 -8.996 5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.709 -7.864 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.668 -9.616 3.465 1.00 0.00 H new ATOM 1189 N LEU A 70 5.686 -10.972 2.365 1.00 0.00 N ATOM 1190 CA LEU A 70 6.167 -12.361 2.336 1.00 0.00 C ATOM 1191 C LEU A 70 7.252 -12.538 3.386 1.00 0.00 C ATOM 1192 O LEU A 70 7.419 -13.605 3.966 1.00 0.00 O ATOM 1193 CB LEU A 70 6.747 -12.727 0.969 1.00 0.00 C ATOM 1194 CG LEU A 70 5.785 -12.760 -0.213 1.00 0.00 C ATOM 1195 CD1 LEU A 70 6.561 -13.000 -1.477 1.00 0.00 C ATOM 1196 CD2 LEU A 70 4.732 -13.847 -0.040 1.00 0.00 C ATOM 0 H LEU A 70 5.858 -10.446 1.508 1.00 0.00 H new ATOM 0 HA LEU A 70 5.318 -13.014 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.541 -12.016 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.213 -13.709 1.052 1.00 0.00 H new ATOM 0 HG LEU A 70 5.271 -11.800 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.877 -13.024 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.285 -12.197 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.085 -13.953 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.062 -13.844 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.221 -14.818 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.159 -13.657 0.868 1.00 0.00 H new ATOM 1208 N GLU A 71 7.991 -11.477 3.623 1.00 0.00 N ATOM 1209 CA GLU A 71 9.032 -11.482 4.620 1.00 0.00 C ATOM 1210 C GLU A 71 8.461 -10.915 5.943 1.00 0.00 C ATOM 1211 O GLU A 71 9.125 -10.905 6.985 1.00 0.00 O ATOM 1212 CB GLU A 71 10.236 -10.668 4.121 1.00 0.00 C ATOM 1213 CG GLU A 71 11.480 -10.836 4.965 1.00 0.00 C ATOM 1214 CD GLU A 71 12.665 -10.064 4.457 1.00 0.00 C ATOM 1215 OE1 GLU A 71 13.252 -10.466 3.439 1.00 0.00 O ATOM 1216 OE2 GLU A 71 13.061 -9.063 5.096 1.00 0.00 O ATOM 0 H GLU A 71 7.886 -10.590 3.130 1.00 0.00 H new ATOM 0 HA GLU A 71 9.380 -12.499 4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.462 -10.962 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.964 -9.613 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.262 -10.519 5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.739 -11.894 5.008 1.00 0.00 H new ATOM 1223 N HIS A 72 7.196 -10.496 5.869 1.00 0.00 N ATOM 1224 CA HIS A 72 6.402 -9.925 6.971 1.00 0.00 C ATOM 1225 C HIS A 72 7.000 -8.624 7.474 1.00 0.00 C ATOM 1226 O HIS A 72 6.704 -7.543 6.954 1.00 0.00 O ATOM 1227 CB HIS A 72 6.183 -10.918 8.133 1.00 0.00 C ATOM 1228 CG HIS A 72 5.421 -12.160 7.784 1.00 0.00 C ATOM 1229 ND1 HIS A 72 4.178 -12.442 8.282 1.00 0.00 N ATOM 1230 CD2 HIS A 72 5.763 -13.225 7.025 1.00 0.00 C ATOM 1231 CE1 HIS A 72 3.790 -13.619 7.852 1.00 0.00 C ATOM 1232 NE2 HIS A 72 4.730 -14.114 7.088 1.00 0.00 N ATOM 0 H HIS A 72 6.667 -10.546 4.998 1.00 0.00 H new ATOM 0 HA HIS A 72 5.419 -9.709 6.553 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.156 -11.209 8.528 1.00 0.00 H new ATOM 0 HB3 HIS A 72 5.655 -10.402 8.935 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.682 -13.349 6.472 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.852 -14.099 8.089 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.696 -15.018 6.616 1.00 0.00 H new ATOM 1241 N HIS A 73 7.876 -8.731 8.433 1.00 0.00 N ATOM 1242 CA HIS A 73 8.540 -7.589 8.989 1.00 0.00 C ATOM 1243 C HIS A 73 10.010 -7.886 9.049 1.00 0.00 C ATOM 1244 O HIS A 73 10.824 -7.085 8.589 1.00 0.00 O ATOM 1245 CB HIS A 73 7.987 -7.237 10.381 1.00 0.00 C ATOM 1246 CG HIS A 73 8.656 -6.048 11.016 1.00 0.00 C ATOM 1247 ND1 HIS A 73 9.283 -6.105 12.231 1.00 0.00 N ATOM 1248 CD2 HIS A 73 8.776 -4.765 10.597 1.00 0.00 C ATOM 1249 CE1 HIS A 73 9.762 -4.925 12.535 1.00 0.00 C ATOM 1250 NE2 HIS A 73 9.470 -4.093 11.561 1.00 0.00 N ATOM 0 H HIS A 73 8.150 -9.619 8.853 1.00 0.00 H new ATOM 0 HA HIS A 73 8.362 -6.719 8.357 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.918 -7.040 10.298 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.102 -8.100 11.037 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.395 -4.352 9.675 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.306 -4.677 13.435 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.721 -3.105 11.530 1.00 0.00 H new ATOM 1259 N HIS A 74 10.325 -9.050 9.601 1.00 0.00 N ATOM 1260 CA HIS A 74 11.673 -9.571 9.696 1.00 0.00 C ATOM 1261 C HIS A 74 12.558 -8.716 10.575 1.00 0.00 C ATOM 1262 O HIS A 74 13.150 -7.718 10.149 1.00 0.00 O ATOM 1263 CB HIS A 74 12.262 -9.845 8.300 1.00 0.00 C ATOM 1264 CG HIS A 74 13.689 -10.311 8.240 1.00 0.00 C ATOM 1265 ND1 HIS A 74 14.501 -10.015 7.183 1.00 0.00 N ATOM 1266 CD2 HIS A 74 14.435 -11.069 9.079 1.00 0.00 C ATOM 1267 CE1 HIS A 74 15.678 -10.558 7.365 1.00 0.00 C ATOM 1268 NE2 HIS A 74 15.664 -11.205 8.511 1.00 0.00 N ATOM 0 H HIS A 74 9.626 -9.673 10.006 1.00 0.00 H new ATOM 0 HA HIS A 74 11.625 -10.536 10.201 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.640 -10.595 7.811 1.00 0.00 H new ATOM 0 HB3 HIS A 74 12.179 -8.931 7.712 1.00 0.00 H new ATOM 0 HD1 HIS A 74 14.231 -9.455 6.374 1.00 0.00 H new ATOM 0 HD2 HIS A 74 14.114 -11.487 10.022 1.00 0.00 H new ATOM 0 HE1 HIS A 74 16.518 -10.487 6.690 1.00 0.00 H new ATOM 1277 N HIS A 75 12.593 -9.083 11.804 1.00 0.00 N ATOM 1278 CA HIS A 75 13.419 -8.432 12.784 1.00 0.00 C ATOM 1279 C HIS A 75 14.344 -9.474 13.403 1.00 0.00 C ATOM 1280 O HIS A 75 15.411 -9.147 13.940 1.00 0.00 O ATOM 1281 CB HIS A 75 12.527 -7.790 13.858 1.00 0.00 C ATOM 1282 CG HIS A 75 13.256 -6.953 14.866 1.00 0.00 C ATOM 1283 ND1 HIS A 75 13.458 -7.331 16.175 1.00 0.00 N ATOM 1284 CD2 HIS A 75 13.797 -5.726 14.750 1.00 0.00 C ATOM 1285 CE1 HIS A 75 14.088 -6.375 16.808 1.00 0.00 C ATOM 1286 NE2 HIS A 75 14.304 -5.395 15.967 1.00 0.00 N ATOM 0 H HIS A 75 12.042 -9.857 12.175 1.00 0.00 H new ATOM 0 HA HIS A 75 14.018 -7.647 12.322 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.779 -7.169 13.365 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.990 -8.580 14.383 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.823 -5.118 13.857 1.00 0.00 H new ATOM 0 HE1 HIS A 75 14.380 -6.391 17.848 1.00 0.00 H new ATOM 0 HE2 HIS A 75 14.778 -4.520 16.190 1.00 0.00 H new ATOM 1295 N HIS A 76 13.936 -10.731 13.297 1.00 0.00 N ATOM 1296 CA HIS A 76 14.683 -11.820 13.867 1.00 0.00 C ATOM 1297 C HIS A 76 15.762 -12.266 12.906 1.00 0.00 C ATOM 1298 O HIS A 76 15.498 -12.495 11.730 1.00 0.00 O ATOM 1299 CB HIS A 76 13.768 -13.005 14.243 1.00 0.00 C ATOM 1300 CG HIS A 76 14.464 -14.080 15.043 1.00 0.00 C ATOM 1301 ND1 HIS A 76 14.801 -15.317 14.538 1.00 0.00 N ATOM 1302 CD2 HIS A 76 14.887 -14.081 16.329 1.00 0.00 C ATOM 1303 CE1 HIS A 76 15.399 -16.024 15.477 1.00 0.00 C ATOM 1304 NE2 HIS A 76 15.466 -15.296 16.570 1.00 0.00 N ATOM 0 H HIS A 76 13.083 -11.013 12.815 1.00 0.00 H new ATOM 0 HA HIS A 76 15.148 -11.464 14.786 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.920 -12.630 14.816 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.366 -13.446 13.331 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.786 -13.270 17.035 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.771 -17.032 15.367 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.882 -15.590 17.454 1.00 0.00 H new ATOM 1313 N HIS A 77 16.964 -12.350 13.391 1.00 0.00 N ATOM 1314 CA HIS A 77 18.061 -12.803 12.576 1.00 0.00 C ATOM 1315 C HIS A 77 18.494 -14.146 13.069 1.00 0.00 C ATOM 1316 O HIS A 77 18.049 -15.157 12.516 1.00 0.00 O ATOM 1317 CB HIS A 77 19.244 -11.825 12.599 1.00 0.00 C ATOM 1318 CG HIS A 77 18.919 -10.453 12.116 1.00 0.00 C ATOM 1319 ND1 HIS A 77 19.186 -9.329 12.845 1.00 0.00 N ATOM 1320 CD2 HIS A 77 18.361 -10.024 10.967 1.00 0.00 C ATOM 1321 CE1 HIS A 77 18.812 -8.272 12.179 1.00 0.00 C ATOM 1322 NE2 HIS A 77 18.307 -8.659 11.037 1.00 0.00 N ATOM 1323 OXT HIS A 77 19.258 -14.204 14.051 1.00 0.00 O ATOM 0 H HIS A 77 17.215 -12.111 14.350 1.00 0.00 H new ATOM 0 HA HIS A 77 17.722 -12.863 11.542 1.00 0.00 H new ATOM 0 HB2 HIS A 77 19.624 -11.757 13.618 1.00 0.00 H new ATOM 0 HB3 HIS A 77 20.048 -12.232 11.986 1.00 0.00 H new ATOM 0 HD2 HIS A 77 18.021 -10.640 10.148 1.00 0.00 H new ATOM 0 HE1 HIS A 77 18.904 -7.249 12.514 1.00 0.00 H new ATOM 0 HE2 HIS A 77 17.933 -8.043 10.315 1.00 0.00 H new TER 1332 HIS A 77