USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 557 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 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= -0.39 K(o=-0.77,f=-8.6!) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.382 K(o=-0.77,f=-4.2!) USER MOD Set 2.1: A 30 TYR OH : rot -4:sc= 0.926 USER MOD Set 2.2: A 71 SER OG : rot -74:sc= 1.26 USER MOD Set 3.1: A 16 ASN : amide:sc= -0.376 K(o=-0.66,f=-1.8) USER MOD Set 3.2: A 17 ASN : amide:sc= -0.286 K(o=-0.66,f=-1.4) USER MOD Set 4.1: A 15 HIS : no HE2:sc= 0.386 K(o=1.1,f=-8.3!) USER MOD Set 4.2: A 20 SER OG : rot 5:sc= 0.682 USER MOD Single : A 5 LYS NZ :NH3+ 177:sc= -0.0981 (180deg=-0.105) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 13 GLN : amide:sc= 0.516 K(o=0.52,f=-0.14) USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 2.29 (180deg=2.12) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.151 USER MOD Single : A 26 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 1 (180deg=0.859) USER MOD Single : A 33 THR OG1 : rot 94:sc= 2.07 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.362 K(o=0.36,f=-2.6!) USER MOD Single : A 55 THR OG1 : rot 83:sc= 1.99 USER MOD Single : A 64 SER OG : rot -170:sc= 0.668 USER MOD Single : A 65 THR OG1 : rot 93:sc= 0.965 USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 1.81 (180deg=1.62) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-6.7!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -4.28! (180deg=-4.3!) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.982 (180deg=-1.49) USER MOD Single : A 201 HEM CMC :methyl -30:sc=-0.00681 (180deg=-0.0404) USER MOD Single : A 201 HEM CMD :methyl 150:sc= -1.13 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 2.069 -1.160 -20.162 1.00 0.00 N ATOM 2 CA ALA A 3 1.081 -1.222 -19.060 1.00 0.00 C ATOM 3 C ALA A 3 1.780 -1.060 -17.704 1.00 0.00 C ATOM 4 O ALA A 3 3.008 -1.029 -17.675 1.00 0.00 O ATOM 5 CB ALA A 3 0.300 -2.541 -19.122 1.00 0.00 C ATOM 0 HA ALA A 3 0.374 -0.401 -19.175 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.423 -2.574 -18.307 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.224 -2.609 -20.075 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.992 -3.378 -19.028 1.00 0.00 H new ATOM 13 N VAL A 4 1.026 -0.971 -16.605 1.00 0.00 N ATOM 14 CA VAL A 4 1.593 -1.015 -15.256 1.00 0.00 C ATOM 15 C VAL A 4 2.310 -2.351 -15.004 1.00 0.00 C ATOM 16 O VAL A 4 2.004 -3.358 -15.638 1.00 0.00 O ATOM 17 CB VAL A 4 0.476 -0.758 -14.225 1.00 0.00 C ATOM 18 CG1 VAL A 4 -0.529 -1.909 -14.160 1.00 0.00 C ATOM 19 CG2 VAL A 4 1.003 -0.461 -12.818 1.00 0.00 C ATOM 0 H VAL A 4 0.012 -0.867 -16.625 1.00 0.00 H new ATOM 0 HA VAL A 4 2.344 -0.232 -15.153 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.032 0.137 -14.586 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.296 -1.681 -13.420 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.995 -2.041 -15.137 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.013 -2.827 -13.877 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.164 -0.290 -12.144 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.588 -1.309 -12.462 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.633 0.428 -12.846 1.00 0.00 H new ATOM 29 N LYS A 5 3.262 -2.368 -14.068 1.00 0.00 N ATOM 30 CA LYS A 5 3.968 -3.586 -13.679 1.00 0.00 C ATOM 31 C LYS A 5 3.074 -4.628 -13.019 1.00 0.00 C ATOM 32 O LYS A 5 3.279 -5.811 -13.276 1.00 0.00 O ATOM 33 CB LYS A 5 5.185 -3.214 -12.816 1.00 0.00 C ATOM 34 CG LYS A 5 5.837 -4.451 -12.178 1.00 0.00 C ATOM 35 CD LYS A 5 7.310 -4.232 -11.799 1.00 0.00 C ATOM 36 CE LYS A 5 8.290 -4.693 -12.886 1.00 0.00 C ATOM 37 NZ LYS A 5 8.089 -3.969 -14.157 1.00 0.00 N ATOM 0 H LYS A 5 3.563 -1.537 -13.560 1.00 0.00 H new ATOM 0 HA LYS A 5 4.316 -4.075 -14.589 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.919 -2.693 -13.430 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.876 -2.522 -12.033 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.277 -4.729 -11.286 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.768 -5.289 -12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.473 -3.173 -11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.524 -4.769 -10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.312 -4.541 -12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.167 -5.763 -13.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.804 -4.275 -14.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.139 -4.175 -14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.182 -2.946 -13.992 1.00 0.00 H new ATOM 47 N TYR A 6 2.126 -4.187 -12.185 1.00 0.00 N ATOM 48 CA TYR A 6 1.332 -5.051 -11.308 1.00 0.00 C ATOM 49 C TYR A 6 2.199 -5.781 -10.272 1.00 0.00 C ATOM 50 O TYR A 6 3.376 -6.056 -10.497 1.00 0.00 O ATOM 51 CB TYR A 6 0.545 -6.088 -12.119 1.00 0.00 C ATOM 52 CG TYR A 6 -0.266 -5.591 -13.303 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.539 -5.028 -13.114 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.210 -5.798 -14.613 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.296 -4.603 -14.220 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.568 -5.418 -15.720 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.814 -4.809 -15.521 1.00 0.00 C ATOM 58 OH TYR A 6 -2.562 -4.426 -16.589 1.00 0.00 O ATOM 0 H TYR A 6 1.885 -3.199 -12.100 1.00 0.00 H new ATOM 0 HA TYR A 6 0.640 -4.396 -10.780 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.251 -6.833 -12.485 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.135 -6.600 -11.438 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.938 -4.921 -12.116 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.178 -6.251 -14.767 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.249 -4.118 -14.068 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.206 -5.595 -16.722 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.083 -4.639 -17.417 1.00 0.00 H new ATOM 67 N TYR A 7 1.607 -6.115 -9.129 1.00 0.00 N ATOM 68 CA TYR A 7 2.231 -6.993 -8.153 1.00 0.00 C ATOM 69 C TYR A 7 1.162 -7.898 -7.550 1.00 0.00 C ATOM 70 O TYR A 7 0.160 -7.416 -7.036 1.00 0.00 O ATOM 71 CB TYR A 7 2.966 -6.181 -7.087 1.00 0.00 C ATOM 72 CG TYR A 7 4.053 -5.278 -7.630 1.00 0.00 C ATOM 73 CD1 TYR A 7 5.353 -5.780 -7.800 1.00 0.00 C ATOM 74 CD2 TYR A 7 3.747 -3.970 -8.052 1.00 0.00 C ATOM 75 CE1 TYR A 7 6.388 -4.920 -8.202 1.00 0.00 C ATOM 76 CE2 TYR A 7 4.760 -3.158 -8.594 1.00 0.00 C ATOM 77 CZ TYR A 7 6.090 -3.601 -8.575 1.00 0.00 C ATOM 78 OH TYR A 7 7.091 -2.765 -8.960 1.00 0.00 O ATOM 0 H TYR A 7 0.682 -5.783 -8.856 1.00 0.00 H new ATOM 0 HA TYR A 7 2.980 -7.618 -8.639 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.241 -5.572 -6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.408 -6.867 -6.365 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.557 -6.826 -7.622 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.740 -3.592 -7.960 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.409 -5.273 -8.224 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.514 -2.198 -9.023 1.00 0.00 H new ATOM 0 HH TYR A 7 6.716 -1.888 -9.187 1.00 0.00 H new ATOM 87 N THR A 8 1.360 -9.211 -7.639 1.00 0.00 N ATOM 88 CA THR A 8 0.430 -10.195 -7.100 1.00 0.00 C ATOM 89 C THR A 8 0.476 -10.157 -5.582 1.00 0.00 C ATOM 90 O THR A 8 1.541 -9.977 -4.993 1.00 0.00 O ATOM 91 CB THR A 8 0.807 -11.586 -7.620 1.00 0.00 C ATOM 92 OG1 THR A 8 2.212 -11.744 -7.570 1.00 0.00 O ATOM 93 CG2 THR A 8 0.359 -11.739 -9.071 1.00 0.00 C ATOM 0 H THR A 8 2.177 -9.623 -8.091 1.00 0.00 H new ATOM 0 HA THR A 8 -0.586 -9.964 -7.422 1.00 0.00 H new ATOM 0 HB THR A 8 0.318 -12.336 -6.999 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.453 -12.634 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.631 -12.731 -9.433 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.722 -11.614 -9.133 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.848 -10.982 -9.684 1.00 0.00 H new ATOM 101 N LEU A 9 -0.672 -10.348 -4.948 1.00 0.00 N ATOM 102 CA LEU A 9 -0.864 -10.342 -3.507 1.00 0.00 C ATOM 103 C LEU A 9 0.092 -11.274 -2.774 1.00 0.00 C ATOM 104 O LEU A 9 0.401 -11.011 -1.624 1.00 0.00 O ATOM 105 CB LEU A 9 -2.282 -10.786 -3.256 1.00 0.00 C ATOM 106 CG LEU A 9 -2.844 -10.579 -1.841 1.00 0.00 C ATOM 107 CD1 LEU A 9 -3.057 -9.098 -1.511 1.00 0.00 C ATOM 108 CD2 LEU A 9 -4.187 -11.309 -1.744 1.00 0.00 C ATOM 0 H LEU A 9 -1.541 -10.521 -5.454 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.664 -9.339 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.930 -10.259 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.351 -11.847 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.121 -10.974 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.455 -9.004 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.106 -8.570 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.762 -8.665 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.603 -11.174 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.877 -10.901 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.038 -12.372 -1.934 1.00 0.00 H new ATOM 119 N GLU A 10 0.553 -12.361 -3.403 1.00 0.00 N ATOM 120 CA GLU A 10 1.681 -13.121 -2.851 1.00 0.00 C ATOM 121 C GLU A 10 2.798 -12.130 -2.493 1.00 0.00 C ATOM 122 O GLU A 10 3.246 -12.042 -1.352 1.00 0.00 O ATOM 123 CB GLU A 10 2.213 -14.185 -3.842 1.00 0.00 C ATOM 124 CG GLU A 10 3.720 -14.415 -3.566 1.00 0.00 C ATOM 125 CD GLU A 10 4.377 -15.673 -4.101 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.670 -16.529 -4.667 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.616 -15.728 -3.901 1.00 0.00 O ATOM 0 H GLU A 10 0.173 -12.728 -4.275 1.00 0.00 H new ATOM 0 HA GLU A 10 1.339 -13.659 -1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.661 -15.118 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.064 -13.852 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.264 -13.561 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.863 -14.402 -2.486 1.00 0.00 H new ATOM 132 N GLU A 11 3.232 -11.372 -3.500 1.00 0.00 N ATOM 133 CA GLU A 11 4.295 -10.404 -3.381 1.00 0.00 C ATOM 134 C GLU A 11 3.891 -9.349 -2.386 1.00 0.00 C ATOM 135 O GLU A 11 4.574 -9.166 -1.390 1.00 0.00 O ATOM 136 CB GLU A 11 4.684 -9.819 -4.751 1.00 0.00 C ATOM 137 CG GLU A 11 6.194 -9.513 -4.798 1.00 0.00 C ATOM 138 CD GLU A 11 7.062 -10.747 -4.564 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.643 -11.844 -4.997 1.00 0.00 O ATOM 140 OE2 GLU A 11 8.102 -10.629 -3.886 1.00 0.00 O ATOM 0 H GLU A 11 2.837 -11.424 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 11 5.195 -10.894 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.425 -10.524 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.116 -8.908 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.441 -9.081 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.430 -8.762 -4.044 1.00 0.00 H new ATOM 145 N ILE A 12 2.731 -8.730 -2.581 1.00 0.00 N ATOM 146 CA ILE A 12 2.256 -7.743 -1.623 1.00 0.00 C ATOM 147 C ILE A 12 2.325 -8.264 -0.180 1.00 0.00 C ATOM 148 O ILE A 12 2.876 -7.594 0.694 1.00 0.00 O ATOM 149 CB ILE A 12 0.868 -7.198 -1.997 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.654 -6.973 -3.506 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.659 -5.850 -1.306 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.797 -6.624 -3.822 1.00 0.00 C ATOM 0 H ILE A 12 2.114 -8.891 -3.378 1.00 0.00 H new ATOM 0 HA ILE A 12 2.937 -6.893 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 12 0.158 -7.960 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.305 -6.170 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.940 -7.872 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.324 -5.456 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.723 -5.981 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.428 -5.150 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.909 -6.472 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.446 -7.439 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.074 -5.711 -3.296 1.00 0.00 H new ATOM 163 N GLN A 13 1.901 -9.509 0.054 1.00 0.00 N ATOM 164 CA GLN A 13 1.994 -10.104 1.388 1.00 0.00 C ATOM 165 C GLN A 13 3.417 -10.202 1.941 1.00 0.00 C ATOM 166 O GLN A 13 3.604 -10.255 3.156 1.00 0.00 O ATOM 167 CB GLN A 13 1.393 -11.508 1.384 1.00 0.00 C ATOM 168 CG GLN A 13 -0.136 -11.485 1.532 1.00 0.00 C ATOM 169 CD GLN A 13 -0.621 -10.916 2.861 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.718 -11.629 3.852 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.953 -9.633 2.909 1.00 0.00 N ATOM 0 H GLN A 13 1.494 -10.118 -0.656 1.00 0.00 H new ATOM 0 HA GLN A 13 1.439 -9.427 2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.659 -12.013 0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.826 -12.089 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.561 -10.896 0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.517 -12.500 1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.867 -9.052 2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.295 -9.227 3.780 1.00 0.00 H new ATOM 178 N LYS A 14 4.412 -10.272 1.063 1.00 0.00 N ATOM 179 CA LYS A 14 5.806 -10.420 1.433 1.00 0.00 C ATOM 180 C LYS A 14 6.452 -9.055 1.776 1.00 0.00 C ATOM 181 O LYS A 14 7.600 -9.024 2.216 1.00 0.00 O ATOM 182 CB LYS A 14 6.531 -11.158 0.287 1.00 0.00 C ATOM 183 CG LYS A 14 6.197 -12.663 0.263 1.00 0.00 C ATOM 184 CD LYS A 14 6.173 -13.290 -1.146 1.00 0.00 C ATOM 185 CE LYS A 14 7.493 -13.310 -1.919 1.00 0.00 C ATOM 186 NZ LYS A 14 7.266 -13.738 -3.322 1.00 0.00 N ATOM 0 H LYS A 14 4.264 -10.226 0.055 1.00 0.00 H new ATOM 0 HA LYS A 14 5.894 -11.013 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.251 -10.710 -0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.608 -11.028 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.929 -13.195 0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.224 -12.814 0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.819 -14.317 -1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.438 -12.751 -1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.946 -12.319 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.195 -13.989 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.176 -13.779 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.823 -14.679 -3.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.640 -13.056 -3.796 1.00 0.00 H new ATOM 196 N HIS A 15 5.737 -7.932 1.592 1.00 0.00 N ATOM 197 CA HIS A 15 6.195 -6.570 1.905 1.00 0.00 C ATOM 198 C HIS A 15 5.357 -5.901 3.011 1.00 0.00 C ATOM 199 O HIS A 15 4.429 -5.143 2.737 1.00 0.00 O ATOM 200 CB HIS A 15 6.158 -5.719 0.635 1.00 0.00 C ATOM 201 CG HIS A 15 7.102 -6.150 -0.459 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.351 -5.638 -0.726 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.773 -6.954 -1.511 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.776 -6.158 -1.887 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.852 -6.979 -2.400 1.00 0.00 N ATOM 0 H HIS A 15 4.792 -7.950 1.208 1.00 0.00 H new ATOM 0 HA HIS A 15 7.215 -6.645 2.282 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.142 -5.729 0.240 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.385 -4.687 0.902 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.864 -4.978 -0.142 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.839 -7.481 -1.636 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.731 -5.944 -2.344 1.00 0.00 H new ATOM 212 N ASN A 16 5.719 -6.139 4.273 1.00 0.00 N ATOM 213 CA ASN A 16 5.003 -5.608 5.441 1.00 0.00 C ATOM 214 C ASN A 16 5.846 -5.609 6.729 1.00 0.00 C ATOM 215 O ASN A 16 5.330 -5.875 7.813 1.00 0.00 O ATOM 216 CB ASN A 16 3.677 -6.366 5.613 1.00 0.00 C ATOM 217 CG ASN A 16 3.845 -7.879 5.533 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.924 -8.423 5.743 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.787 -8.576 5.154 1.00 0.00 N ATOM 0 H ASN A 16 6.526 -6.712 4.519 1.00 0.00 H new ATOM 0 HA ASN A 16 4.791 -4.556 5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.237 -6.105 6.575 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.976 -6.042 4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.859 -9.586 5.031 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.899 -8.104 4.985 1.00 0.00 H new ATOM 225 N ASN A 17 7.138 -5.278 6.637 1.00 0.00 N ATOM 226 CA ASN A 17 8.037 -5.248 7.793 1.00 0.00 C ATOM 227 C ASN A 17 9.303 -4.440 7.463 1.00 0.00 C ATOM 228 O ASN A 17 9.303 -3.675 6.504 1.00 0.00 O ATOM 229 CB ASN A 17 8.336 -6.693 8.243 1.00 0.00 C ATOM 230 CG ASN A 17 9.084 -7.489 7.180 1.00 0.00 C ATOM 231 OD1 ASN A 17 8.569 -7.768 6.107 1.00 0.00 O ATOM 232 ND2 ASN A 17 10.332 -7.856 7.449 1.00 0.00 N ATOM 0 H ASN A 17 7.589 -5.023 5.758 1.00 0.00 H new ATOM 0 HA ASN A 17 7.562 -4.739 8.632 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.926 -6.671 9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.400 -7.198 8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.871 -8.376 6.757 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.751 -7.618 8.348 1.00 0.00 H new ATOM 238 N SER A 18 10.401 -4.633 8.210 1.00 0.00 N ATOM 239 CA SER A 18 11.720 -4.055 7.898 1.00 0.00 C ATOM 240 C SER A 18 12.075 -4.145 6.401 1.00 0.00 C ATOM 241 O SER A 18 12.654 -3.217 5.841 1.00 0.00 O ATOM 242 CB SER A 18 12.791 -4.727 8.766 1.00 0.00 C ATOM 243 OG SER A 18 14.076 -4.246 8.429 1.00 0.00 O ATOM 0 H SER A 18 10.399 -5.201 9.057 1.00 0.00 H new ATOM 0 HA SER A 18 11.680 -2.991 8.130 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.588 -4.532 9.819 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.753 -5.808 8.628 1.00 0.00 H new ATOM 0 HG SER A 18 14.747 -4.684 8.993 1.00 0.00 H new ATOM 248 N LYS A 19 11.678 -5.252 5.761 1.00 0.00 N ATOM 249 CA LYS A 19 11.667 -5.469 4.313 1.00 0.00 C ATOM 250 C LYS A 19 11.333 -4.205 3.518 1.00 0.00 C ATOM 251 O LYS A 19 12.067 -3.794 2.621 1.00 0.00 O ATOM 252 CB LYS A 19 10.551 -6.493 4.050 1.00 0.00 C ATOM 253 CG LYS A 19 10.383 -6.953 2.598 1.00 0.00 C ATOM 254 CD LYS A 19 11.675 -7.403 1.907 1.00 0.00 C ATOM 255 CE LYS A 19 11.308 -7.948 0.519 1.00 0.00 C ATOM 256 NZ LYS A 19 12.504 -8.319 -0.265 1.00 0.00 N ATOM 0 H LYS A 19 11.336 -6.066 6.272 1.00 0.00 H new ATOM 0 HA LYS A 19 12.658 -5.795 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.739 -7.371 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.607 -6.064 4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.670 -7.777 2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.946 -6.137 2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.369 -6.568 1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.175 -8.171 2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.663 -8.820 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.736 -7.197 -0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.211 -8.682 -1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.108 -7.482 -0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.037 -9.055 0.242 1.00 0.00 H new ATOM 266 N SER A 20 10.158 -3.678 3.854 1.00 0.00 N ATOM 267 CA SER A 20 9.385 -2.614 3.228 1.00 0.00 C ATOM 268 C SER A 20 7.928 -2.755 3.689 1.00 0.00 C ATOM 269 O SER A 20 7.548 -3.805 4.213 1.00 0.00 O ATOM 270 CB SER A 20 9.456 -2.678 1.695 1.00 0.00 C ATOM 271 OG SER A 20 9.039 -3.963 1.286 1.00 0.00 O ATOM 0 H SER A 20 9.667 -4.033 4.674 1.00 0.00 H new ATOM 0 HA SER A 20 9.800 -1.651 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.818 -1.913 1.253 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.472 -2.482 1.353 1.00 0.00 H new ATOM 0 HG SER A 20 8.733 -4.471 2.066 1.00 0.00 H new ATOM 276 N THR A 21 7.112 -1.737 3.427 1.00 0.00 N ATOM 277 CA THR A 21 5.680 -1.723 3.736 1.00 0.00 C ATOM 278 C THR A 21 4.877 -1.425 2.482 1.00 0.00 C ATOM 279 O THR A 21 4.828 -0.273 2.048 1.00 0.00 O ATOM 280 CB THR A 21 5.346 -0.690 4.831 1.00 0.00 C ATOM 281 OG1 THR A 21 5.645 -1.248 6.095 1.00 0.00 O ATOM 282 CG2 THR A 21 3.873 -0.256 4.842 1.00 0.00 C ATOM 0 H THR A 21 7.434 -0.877 2.983 1.00 0.00 H new ATOM 0 HA THR A 21 5.413 -2.710 4.112 1.00 0.00 H new ATOM 0 HB THR A 21 5.946 0.194 4.615 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.160 -0.758 6.792 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.714 0.471 5.638 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.619 0.195 3.883 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.239 -1.126 5.013 1.00 0.00 H new ATOM 290 N TRP A 22 4.219 -2.450 1.937 1.00 0.00 N ATOM 291 CA TRP A 22 3.232 -2.284 0.886 1.00 0.00 C ATOM 292 C TRP A 22 1.842 -2.267 1.438 1.00 0.00 C ATOM 293 O TRP A 22 1.601 -2.557 2.599 1.00 0.00 O ATOM 294 CB TRP A 22 3.376 -3.344 -0.220 1.00 0.00 C ATOM 295 CG TRP A 22 4.622 -3.347 -1.047 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.740 -2.633 -0.812 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.897 -4.115 -2.254 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.675 -2.889 -1.787 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.203 -3.787 -2.722 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.168 -5.045 -3.019 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.722 -4.332 -3.908 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.750 -5.725 -4.092 1.00 0.00 C ATOM 303 CH2 TRP A 22 6.004 -5.336 -4.570 1.00 0.00 C ATOM 0 H TRP A 22 4.362 -3.420 2.218 1.00 0.00 H new ATOM 0 HA TRP A 22 3.423 -1.314 0.427 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.286 -4.325 0.247 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.529 -3.234 -0.897 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.881 -1.959 0.020 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.603 -2.467 -1.816 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.135 -5.237 -2.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.663 -3.981 -4.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.230 -6.552 -4.552 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.419 -5.809 -5.448 1.00 0.00 H new ATOM 313 N LEU A 23 0.930 -1.848 0.581 1.00 0.00 N ATOM 314 CA LEU A 23 -0.471 -1.852 0.876 1.00 0.00 C ATOM 315 C LEU A 23 -1.252 -1.803 -0.432 1.00 0.00 C ATOM 316 O LEU A 23 -0.645 -1.563 -1.473 1.00 0.00 O ATOM 317 CB LEU A 23 -0.847 -0.697 1.813 1.00 0.00 C ATOM 318 CG LEU A 23 0.056 0.419 2.356 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.706 1.748 2.191 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.247 0.316 3.875 1.00 0.00 C ATOM 0 H LEU A 23 1.155 -1.493 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.729 -2.770 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.665 -0.180 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.268 -1.176 2.697 1.00 0.00 H new ATOM 0 HG LEU A 23 1.008 0.351 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.094 2.568 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.925 1.913 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.639 1.705 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.893 1.125 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.721 0.391 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.706 -0.642 4.120 1.00 0.00 H new ATOM 331 N ILE A 24 -2.572 -2.012 -0.385 1.00 0.00 N ATOM 332 CA ILE A 24 -3.434 -1.742 -1.535 1.00 0.00 C ATOM 333 C ILE A 24 -4.485 -0.711 -1.139 1.00 0.00 C ATOM 334 O ILE A 24 -5.205 -0.929 -0.168 1.00 0.00 O ATOM 335 CB ILE A 24 -4.131 -2.995 -2.097 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.180 -4.151 -2.423 1.00 0.00 C ATOM 337 CG2 ILE A 24 -4.918 -2.650 -3.364 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.824 -5.532 -2.241 1.00 0.00 C ATOM 0 H ILE A 24 -3.063 -2.366 0.436 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.789 -1.366 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.792 -3.331 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.835 -4.051 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.300 -4.080 -1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.404 -3.548 -3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.674 -1.900 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.238 -2.256 -4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.099 -6.307 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.144 -5.651 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.688 -5.620 -2.900 1.00 0.00 H new ATOM 349 N LEU A 25 -4.587 0.381 -1.898 1.00 0.00 N ATOM 350 CA LEU A 25 -5.687 1.335 -1.780 1.00 0.00 C ATOM 351 C LEU A 25 -6.367 1.390 -3.160 1.00 0.00 C ATOM 352 O LEU A 25 -5.740 1.762 -4.152 1.00 0.00 O ATOM 353 CB LEU A 25 -5.226 2.713 -1.239 1.00 0.00 C ATOM 354 CG LEU A 25 -4.093 2.665 -0.198 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.582 4.067 0.139 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.514 2.026 1.124 1.00 0.00 C ATOM 0 H LEU A 25 -3.905 0.628 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.411 1.012 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.899 3.324 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.085 3.216 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.317 2.059 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.783 3.995 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.200 4.542 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.398 4.664 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.669 2.024 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.335 2.596 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.839 1.001 0.945 1.00 0.00 H new ATOM 367 N HIS A 26 -7.622 0.942 -3.262 1.00 0.00 N ATOM 368 CA HIS A 26 -8.407 0.971 -4.502 1.00 0.00 C ATOM 369 C HIS A 26 -7.766 0.133 -5.626 1.00 0.00 C ATOM 370 O HIS A 26 -7.568 0.619 -6.739 1.00 0.00 O ATOM 371 CB HIS A 26 -8.625 2.429 -4.950 1.00 0.00 C ATOM 372 CG HIS A 26 -8.972 3.377 -3.832 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.227 3.586 -3.311 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.087 4.139 -3.114 1.00 0.00 C ATOM 375 CE1 HIS A 26 -10.099 4.456 -2.297 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.815 4.823 -2.141 1.00 0.00 N ATOM 0 H HIS A 26 -8.130 0.542 -2.473 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.374 0.513 -4.293 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.720 2.784 -5.444 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.423 2.453 -5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.020 4.199 -3.273 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.917 4.813 -1.689 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.446 5.474 -1.447 1.00 0.00 H new ATOM 383 N TYR A 27 -7.368 -1.110 -5.327 1.00 0.00 N ATOM 384 CA TYR A 27 -6.588 -1.977 -6.212 1.00 0.00 C ATOM 385 C TYR A 27 -5.155 -1.509 -6.492 1.00 0.00 C ATOM 386 O TYR A 27 -4.363 -2.309 -6.990 1.00 0.00 O ATOM 387 CB TYR A 27 -7.272 -2.241 -7.557 1.00 0.00 C ATOM 388 CG TYR A 27 -8.756 -2.553 -7.521 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.218 -3.661 -6.789 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.637 -1.870 -8.380 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.515 -4.156 -7.001 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.952 -2.335 -8.550 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.383 -3.490 -7.879 1.00 0.00 C ATOM 394 OH TYR A 27 -12.626 -3.985 -8.115 1.00 0.00 O ATOM 0 H TYR A 27 -7.588 -1.551 -4.434 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.531 -2.898 -5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.124 -1.366 -8.191 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.761 -3.074 -8.040 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.574 -4.133 -6.062 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.303 -0.989 -8.908 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.844 -5.048 -6.489 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.632 -1.803 -9.198 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.096 -3.401 -8.746 1.00 0.00 H new ATOM 403 N LYS A 28 -4.804 -0.245 -6.229 1.00 0.00 N ATOM 404 CA LYS A 28 -3.456 0.233 -6.486 1.00 0.00 C ATOM 405 C LYS A 28 -2.520 -0.216 -5.370 1.00 0.00 C ATOM 406 O LYS A 28 -2.880 -0.063 -4.207 1.00 0.00 O ATOM 407 CB LYS A 28 -3.416 1.746 -6.634 1.00 0.00 C ATOM 408 CG LYS A 28 -4.418 2.314 -7.633 1.00 0.00 C ATOM 409 CD LYS A 28 -4.476 1.587 -8.974 1.00 0.00 C ATOM 410 CE LYS A 28 -5.485 2.300 -9.885 1.00 0.00 C ATOM 411 NZ LYS A 28 -5.290 1.954 -11.308 1.00 0.00 N ATOM 0 H LYS A 28 -5.436 0.455 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.122 -0.199 -7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.599 2.198 -5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.412 2.041 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.410 2.292 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.173 3.361 -7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.490 1.576 -9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.770 0.548 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.498 2.033 -9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.389 3.378 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.175 2.117 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.537 2.549 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.020 0.953 -11.388 1.00 0.00 H new ATOM 421 N VAL A 29 -1.343 -0.754 -5.707 1.00 0.00 N ATOM 422 CA VAL A 29 -0.354 -1.169 -4.718 1.00 0.00 C ATOM 423 C VAL A 29 0.586 -0.010 -4.406 1.00 0.00 C ATOM 424 O VAL A 29 1.038 0.707 -5.304 1.00 0.00 O ATOM 425 CB VAL A 29 0.460 -2.390 -5.163 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.559 -2.720 -4.144 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.409 -3.632 -5.127 1.00 0.00 C ATOM 0 H VAL A 29 -1.054 -0.912 -6.672 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.904 -1.460 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 29 0.852 -2.150 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.121 -3.590 -4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.232 -1.868 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.105 -2.937 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.176 -4.495 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.772 -3.793 -4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.257 -3.502 -5.799 1.00 0.00 H new ATOM 437 N TYR A 30 0.894 0.120 -3.120 1.00 0.00 N ATOM 438 CA TYR A 30 1.690 1.123 -2.481 1.00 0.00 C ATOM 439 C TYR A 30 2.974 0.496 -1.923 1.00 0.00 C ATOM 440 O TYR A 30 2.953 -0.688 -1.607 1.00 0.00 O ATOM 441 CB TYR A 30 0.715 1.627 -1.413 1.00 0.00 C ATOM 442 CG TYR A 30 -0.310 2.577 -1.978 1.00 0.00 C ATOM 443 CD1 TYR A 30 0.040 3.915 -2.189 1.00 0.00 C ATOM 444 CD2 TYR A 30 -1.519 2.089 -2.492 1.00 0.00 C ATOM 445 CE1 TYR A 30 -0.885 4.800 -2.751 1.00 0.00 C ATOM 446 CE2 TYR A 30 -2.404 2.958 -3.156 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.114 4.330 -3.233 1.00 0.00 C ATOM 448 OH TYR A 30 -2.988 5.199 -3.813 1.00 0.00 O ATOM 0 H TYR A 30 0.547 -0.556 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 30 2.058 1.929 -3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.207 0.777 -0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.273 2.127 -0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.025 4.264 -1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.771 1.045 -2.378 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.651 5.852 -2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.306 2.570 -3.606 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.635 6.111 -3.747 1.00 0.00 H new ATOM 457 N ASP A 31 4.071 1.262 -1.843 1.00 0.00 N ATOM 458 CA ASP A 31 5.288 0.929 -1.083 1.00 0.00 C ATOM 459 C ASP A 31 5.757 2.200 -0.363 1.00 0.00 C ATOM 460 O ASP A 31 6.190 3.158 -1.005 1.00 0.00 O ATOM 461 CB ASP A 31 6.435 0.394 -1.947 1.00 0.00 C ATOM 462 CG ASP A 31 7.639 -0.066 -1.111 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.756 0.338 0.070 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.406 -0.893 -1.651 1.00 0.00 O ATOM 0 H ASP A 31 4.140 2.161 -2.321 1.00 0.00 H new ATOM 0 HA ASP A 31 5.029 0.128 -0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.074 -0.441 -2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.755 1.171 -2.641 1.00 0.00 H new ATOM 468 N LEU A 32 5.635 2.227 0.963 1.00 0.00 N ATOM 469 CA LEU A 32 5.732 3.464 1.733 1.00 0.00 C ATOM 470 C LEU A 32 6.980 3.569 2.604 1.00 0.00 C ATOM 471 O LEU A 32 7.619 4.616 2.615 1.00 0.00 O ATOM 472 CB LEU A 32 4.423 3.616 2.508 1.00 0.00 C ATOM 473 CG LEU A 32 3.250 3.328 1.557 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.920 3.650 2.180 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.228 4.236 0.342 1.00 0.00 C ATOM 0 H LEU A 32 5.467 1.396 1.531 1.00 0.00 H new ATOM 0 HA LEU A 32 5.861 4.305 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.402 2.928 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.340 4.623 2.916 1.00 0.00 H new ATOM 0 HG LEU A 32 3.393 2.275 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.123 3.430 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.783 3.047 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.889 4.707 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.376 3.980 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.142 5.274 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.150 4.107 -0.225 1.00 0.00 H new ATOM 486 N THR A 33 7.301 2.490 3.322 1.00 0.00 N ATOM 487 CA THR A 33 8.532 2.180 4.064 1.00 0.00 C ATOM 488 C THR A 33 9.272 3.279 4.855 1.00 0.00 C ATOM 489 O THR A 33 9.558 3.075 6.029 1.00 0.00 O ATOM 490 CB THR A 33 9.466 1.407 3.125 1.00 0.00 C ATOM 491 OG1 THR A 33 8.744 0.342 2.523 1.00 0.00 O ATOM 492 CG2 THR A 33 10.625 0.817 3.928 1.00 0.00 C ATOM 0 H THR A 33 6.632 1.725 3.409 1.00 0.00 H new ATOM 0 HA THR A 33 8.179 1.592 4.912 1.00 0.00 H new ATOM 0 HB THR A 33 9.850 2.083 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.393 0.634 1.656 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.288 0.268 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.180 1.622 4.410 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.234 0.140 4.688 1.00 0.00 H new ATOM 500 N LYS A 34 9.609 4.417 4.255 1.00 0.00 N ATOM 501 CA LYS A 34 10.109 5.594 4.966 1.00 0.00 C ATOM 502 C LYS A 34 8.979 6.487 5.455 1.00 0.00 C ATOM 503 O LYS A 34 9.081 7.104 6.509 1.00 0.00 O ATOM 504 CB LYS A 34 10.969 6.424 4.014 1.00 0.00 C ATOM 505 CG LYS A 34 12.221 5.648 3.630 1.00 0.00 C ATOM 506 CD LYS A 34 13.137 6.557 2.806 1.00 0.00 C ATOM 507 CE LYS A 34 14.420 5.815 2.423 1.00 0.00 C ATOM 508 NZ LYS A 34 15.344 6.701 1.685 1.00 0.00 N ATOM 0 H LYS A 34 9.542 4.551 3.246 1.00 0.00 H new ATOM 0 HA LYS A 34 10.678 5.239 5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.398 6.674 3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.246 7.365 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.739 5.303 4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.953 4.762 3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.618 6.888 1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.383 7.451 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.910 5.440 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.174 4.948 1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.206 6.174 1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.882 7.038 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.595 7.515 2.282 1.00 0.00 H new ATOM 518 N PHE A 35 7.882 6.551 4.697 1.00 0.00 N ATOM 519 CA PHE A 35 6.761 7.420 5.064 1.00 0.00 C ATOM 520 C PHE A 35 6.263 7.074 6.473 1.00 0.00 C ATOM 521 O PHE A 35 5.883 7.940 7.248 1.00 0.00 O ATOM 522 CB PHE A 35 5.673 7.353 3.995 1.00 0.00 C ATOM 523 CG PHE A 35 4.530 8.329 4.180 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.794 9.699 4.370 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.207 7.898 3.973 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.749 10.636 4.318 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.164 8.836 3.908 1.00 0.00 C ATOM 528 CZ PHE A 35 2.437 10.208 4.059 1.00 0.00 C ATOM 0 H PHE A 35 7.746 6.020 3.837 1.00 0.00 H new ATOM 0 HA PHE A 35 7.089 8.459 5.103 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.130 7.533 3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.267 6.342 3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.805 10.031 4.557 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.993 6.845 3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.954 11.684 4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.150 8.504 3.742 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.639 10.931 3.976 1.00 0.00 H new ATOM 537 N LEU A 36 6.369 5.788 6.805 1.00 0.00 N ATOM 538 CA LEU A 36 6.275 5.178 8.126 1.00 0.00 C ATOM 539 C LEU A 36 6.813 6.083 9.253 1.00 0.00 C ATOM 540 O LEU A 36 6.183 6.219 10.297 1.00 0.00 O ATOM 541 CB LEU A 36 7.131 3.902 8.038 1.00 0.00 C ATOM 542 CG LEU A 36 6.649 2.852 7.028 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.249 1.497 7.435 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.136 2.664 6.987 1.00 0.00 C ATOM 0 H LEU A 36 6.539 5.083 6.087 1.00 0.00 H new ATOM 0 HA LEU A 36 5.231 4.988 8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.151 4.187 7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.168 3.441 9.025 1.00 0.00 H new ATOM 0 HG LEU A 36 6.964 3.204 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.923 0.729 6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.337 1.562 7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.913 1.237 8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.884 1.905 6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.782 2.347 7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.659 3.606 6.717 1.00 0.00 H new ATOM 555 N GLU A 37 7.987 6.679 9.034 1.00 0.00 N ATOM 556 CA GLU A 37 8.707 7.541 9.964 1.00 0.00 C ATOM 557 C GLU A 37 8.085 8.951 10.067 1.00 0.00 C ATOM 558 O GLU A 37 8.180 9.602 11.106 1.00 0.00 O ATOM 559 CB GLU A 37 10.165 7.629 9.476 1.00 0.00 C ATOM 560 CG GLU A 37 10.851 6.255 9.332 1.00 0.00 C ATOM 561 CD GLU A 37 12.267 6.363 8.774 1.00 0.00 C ATOM 562 OE1 GLU A 37 13.164 6.708 9.574 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.433 6.088 7.565 1.00 0.00 O ATOM 0 H GLU A 37 8.486 6.564 8.152 1.00 0.00 H new ATOM 0 HA GLU A 37 8.650 7.114 10.965 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.187 8.140 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.737 8.240 10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.884 5.766 10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.253 5.621 8.677 1.00 0.00 H new ATOM 568 N GLU A 38 7.485 9.431 8.973 1.00 0.00 N ATOM 569 CA GLU A 38 7.020 10.805 8.778 1.00 0.00 C ATOM 570 C GLU A 38 5.532 10.973 9.130 1.00 0.00 C ATOM 571 O GLU A 38 5.128 11.887 9.846 1.00 0.00 O ATOM 572 CB GLU A 38 7.233 11.175 7.298 1.00 0.00 C ATOM 573 CG GLU A 38 8.645 10.855 6.787 1.00 0.00 C ATOM 574 CD GLU A 38 8.860 11.312 5.349 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.194 10.727 4.466 1.00 0.00 O ATOM 576 OE2 GLU A 38 9.678 12.235 5.159 1.00 0.00 O ATOM 0 H GLU A 38 7.302 8.842 8.161 1.00 0.00 H new ATOM 0 HA GLU A 38 7.587 11.458 9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.504 10.640 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.039 12.239 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.380 11.337 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.818 9.781 6.854 1.00 0.00 H new ATOM 581 N HIS A 39 4.714 10.106 8.536 1.00 0.00 N ATOM 582 CA HIS A 39 3.255 10.128 8.536 1.00 0.00 C ATOM 583 C HIS A 39 2.656 9.978 9.951 1.00 0.00 C ATOM 584 O HIS A 39 3.170 9.204 10.759 1.00 0.00 O ATOM 585 CB HIS A 39 2.823 8.994 7.596 1.00 0.00 C ATOM 586 CG HIS A 39 1.353 8.676 7.518 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.746 7.677 8.230 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.416 9.199 6.667 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.531 7.614 7.840 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.788 8.516 6.879 1.00 0.00 N ATOM 0 H HIS A 39 5.080 9.315 8.006 1.00 0.00 H new ATOM 0 HA HIS A 39 2.881 11.092 8.191 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.167 9.240 6.592 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.347 8.088 7.899 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.189 7.086 8.933 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.577 9.997 5.958 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.260 6.928 8.245 1.00 0.00 H new ATOM 597 N PRO A 40 1.548 10.684 10.258 1.00 0.00 N ATOM 598 CA PRO A 40 0.799 10.511 11.502 1.00 0.00 C ATOM 599 C PRO A 40 0.126 9.128 11.535 1.00 0.00 C ATOM 600 O PRO A 40 0.448 8.258 10.733 1.00 0.00 O ATOM 601 CB PRO A 40 -0.203 11.673 11.517 1.00 0.00 C ATOM 602 CG PRO A 40 -0.482 11.878 10.031 1.00 0.00 C ATOM 603 CD PRO A 40 0.885 11.651 9.399 1.00 0.00 C ATOM 0 HA PRO A 40 1.427 10.536 12.392 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.108 11.423 12.070 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.217 12.566 11.979 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.223 11.172 9.657 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.862 12.878 9.825 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.790 11.273 8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.452 12.580 9.342 1.00 0.00 H new ATOM 608 N GLY A 41 -0.761 8.838 12.492 1.00 0.00 N ATOM 609 CA GLY A 41 -1.253 7.463 12.651 1.00 0.00 C ATOM 610 C GLY A 41 -0.210 6.562 13.342 1.00 0.00 C ATOM 611 O GLY A 41 -0.515 5.897 14.328 1.00 0.00 O ATOM 0 H GLY A 41 -1.145 9.514 13.152 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.172 7.471 13.236 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.501 7.050 11.673 1.00 0.00 H new ATOM 615 N GLY A 42 1.017 6.553 12.807 1.00 0.00 N ATOM 616 CA GLY A 42 2.179 5.792 13.252 1.00 0.00 C ATOM 617 C GLY A 42 2.689 4.881 12.132 1.00 0.00 C ATOM 618 O GLY A 42 1.946 4.556 11.202 1.00 0.00 O ATOM 0 H GLY A 42 1.234 7.123 11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.970 6.475 13.561 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.916 5.193 14.124 1.00 0.00 H new ATOM 622 N GLU A 43 3.940 4.420 12.220 1.00 0.00 N ATOM 623 CA GLU A 43 4.402 3.351 11.345 1.00 0.00 C ATOM 624 C GLU A 43 3.568 2.129 11.603 1.00 0.00 C ATOM 625 O GLU A 43 3.102 1.472 10.672 1.00 0.00 O ATOM 626 CB GLU A 43 5.859 2.931 11.593 1.00 0.00 C ATOM 627 CG GLU A 43 6.293 2.276 12.921 1.00 0.00 C ATOM 628 CD GLU A 43 6.089 3.137 14.165 1.00 0.00 C ATOM 629 OE1 GLU A 43 4.914 3.477 14.433 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.111 3.426 14.818 1.00 0.00 O ATOM 0 H GLU A 43 4.637 4.767 12.879 1.00 0.00 H new ATOM 0 HA GLU A 43 4.320 3.735 10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.130 2.240 10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.472 3.823 11.464 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.739 1.346 13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.348 2.012 12.850 1.00 0.00 H new ATOM 635 N GLU A 44 3.378 1.835 12.891 1.00 0.00 N ATOM 636 CA GLU A 44 2.861 0.548 13.246 1.00 0.00 C ATOM 637 C GLU A 44 1.446 0.424 12.695 1.00 0.00 C ATOM 638 O GLU A 44 1.023 -0.641 12.285 1.00 0.00 O ATOM 639 CB GLU A 44 2.828 0.310 14.760 1.00 0.00 C ATOM 640 CG GLU A 44 4.187 0.006 15.410 1.00 0.00 C ATOM 641 CD GLU A 44 4.658 -1.417 15.140 1.00 0.00 C ATOM 642 OE1 GLU A 44 5.201 -1.641 14.036 1.00 0.00 O ATOM 643 OE2 GLU A 44 4.472 -2.262 16.040 1.00 0.00 O ATOM 0 H GLU A 44 3.573 2.462 13.672 1.00 0.00 H new ATOM 0 HA GLU A 44 3.527 -0.201 12.818 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.404 1.192 15.240 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.152 -0.520 14.965 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.931 0.709 15.035 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.115 0.163 16.486 1.00 0.00 H new ATOM 648 N HIS A 45 0.724 1.545 12.661 1.00 0.00 N ATOM 649 CA HIS A 45 -0.608 1.657 12.100 1.00 0.00 C ATOM 650 C HIS A 45 -0.641 1.464 10.578 1.00 0.00 C ATOM 651 O HIS A 45 -1.603 0.912 10.047 1.00 0.00 O ATOM 652 CB HIS A 45 -1.156 3.021 12.520 1.00 0.00 C ATOM 653 CG HIS A 45 -2.598 3.273 12.145 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.425 2.443 11.416 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.327 4.383 12.480 1.00 0.00 C ATOM 656 CE1 HIS A 45 -4.619 3.050 11.311 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.605 4.240 11.933 1.00 0.00 N ATOM 0 H HIS A 45 1.070 2.427 13.039 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.236 0.854 12.485 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.055 3.119 13.601 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.538 3.798 12.070 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.175 1.534 11.027 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.976 5.221 13.064 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.474 2.637 10.796 1.00 0.00 H new ATOM 664 N LEU A 46 0.405 1.885 9.863 1.00 0.00 N ATOM 665 CA LEU A 46 0.522 1.566 8.444 1.00 0.00 C ATOM 666 C LEU A 46 0.947 0.108 8.270 1.00 0.00 C ATOM 667 O LEU A 46 0.558 -0.543 7.308 1.00 0.00 O ATOM 668 CB LEU A 46 1.518 2.510 7.756 1.00 0.00 C ATOM 669 CG LEU A 46 1.013 3.953 7.590 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.140 4.796 6.984 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.200 4.031 6.657 1.00 0.00 C ATOM 0 H LEU A 46 1.173 2.441 10.240 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.451 1.704 7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.443 2.526 8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.762 2.108 6.773 1.00 0.00 H new ATOM 0 HG LEU A 46 0.715 4.322 8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.799 5.824 6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.004 4.779 7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.419 4.386 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.524 5.068 6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.073 3.650 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.013 3.431 7.066 1.00 0.00 H new ATOM 682 N ARG A 47 1.737 -0.414 9.207 1.00 0.00 N ATOM 683 CA ARG A 47 2.326 -1.748 9.146 1.00 0.00 C ATOM 684 C ARG A 47 1.284 -2.827 9.436 1.00 0.00 C ATOM 685 O ARG A 47 1.219 -3.861 8.780 1.00 0.00 O ATOM 686 CB ARG A 47 3.484 -1.761 10.137 1.00 0.00 C ATOM 687 CG ARG A 47 4.384 -2.993 9.979 1.00 0.00 C ATOM 688 CD ARG A 47 5.624 -2.866 10.871 1.00 0.00 C ATOM 689 NE ARG A 47 6.511 -1.777 10.403 1.00 0.00 N ATOM 690 CZ ARG A 47 7.189 -0.885 11.142 1.00 0.00 C ATOM 691 NH1 ARG A 47 7.106 -0.839 12.461 1.00 0.00 N ATOM 692 NH2 ARG A 47 7.987 -0.007 10.546 1.00 0.00 N ATOM 0 H ARG A 47 1.991 0.095 10.053 1.00 0.00 H new ATOM 0 HA ARG A 47 2.696 -1.974 8.146 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.082 -0.860 10.003 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.088 -1.733 11.152 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.829 -3.893 10.243 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.687 -3.099 8.937 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.317 -2.672 11.899 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.171 -3.809 10.874 1.00 0.00 H new ATOM 0 HE ARG A 47 6.621 -1.694 9.392 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.508 -1.499 12.958 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.640 -0.143 12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.083 -0.012 9.531 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.504 0.673 11.104 1.00 0.00 H new ATOM 703 N GLU A 48 0.450 -2.521 10.418 1.00 0.00 N ATOM 704 CA GLU A 48 -0.786 -3.215 10.768 1.00 0.00 C ATOM 705 C GLU A 48 -1.642 -3.479 9.520 1.00 0.00 C ATOM 706 O GLU A 48 -2.057 -4.607 9.263 1.00 0.00 O ATOM 707 CB GLU A 48 -1.509 -2.323 11.785 1.00 0.00 C ATOM 708 CG GLU A 48 -2.879 -2.847 12.258 1.00 0.00 C ATOM 709 CD GLU A 48 -4.058 -2.470 11.363 1.00 0.00 C ATOM 710 OE1 GLU A 48 -4.038 -1.355 10.793 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.988 -3.295 11.274 1.00 0.00 O ATOM 0 H GLU A 48 0.628 -1.728 11.035 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.584 -4.196 11.199 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.866 -2.196 12.656 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.648 -1.336 11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.830 -3.933 12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.069 -2.468 13.262 1.00 0.00 H new ATOM 716 N GLN A 49 -1.851 -2.433 8.713 1.00 0.00 N ATOM 717 CA GLN A 49 -2.532 -2.538 7.427 1.00 0.00 C ATOM 718 C GLN A 49 -1.687 -3.280 6.390 1.00 0.00 C ATOM 719 O GLN A 49 -2.195 -4.048 5.576 1.00 0.00 O ATOM 720 CB GLN A 49 -2.796 -1.125 6.876 1.00 0.00 C ATOM 721 CG GLN A 49 -4.042 -0.416 7.409 1.00 0.00 C ATOM 722 CD GLN A 49 -5.238 -1.345 7.470 1.00 0.00 C ATOM 723 OE1 GLN A 49 -5.778 -1.729 6.446 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.658 -1.736 8.660 1.00 0.00 N ATOM 0 H GLN A 49 -1.549 -1.486 8.939 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.457 -3.089 7.596 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.928 -0.504 7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.876 -1.189 5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.837 -0.022 8.404 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.276 0.436 6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.189 -1.401 9.502 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.451 -2.373 8.737 1.00 0.00 H new ATOM 731 N ALA A 50 -0.399 -2.953 6.371 1.00 0.00 N ATOM 732 CA ALA A 50 0.520 -3.331 5.312 1.00 0.00 C ATOM 733 C ALA A 50 0.491 -4.795 4.873 1.00 0.00 C ATOM 734 O ALA A 50 0.281 -5.730 5.644 1.00 0.00 O ATOM 735 CB ALA A 50 1.956 -2.994 5.711 1.00 0.00 C ATOM 0 H ALA A 50 0.041 -2.405 7.110 1.00 0.00 H new ATOM 0 HA ALA A 50 0.170 -2.752 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.634 -3.283 4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.042 -1.922 5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.218 -3.536 6.620 1.00 0.00 H new ATOM 741 N GLY A 51 0.786 -4.973 3.589 1.00 0.00 N ATOM 742 CA GLY A 51 0.802 -6.261 2.912 1.00 0.00 C ATOM 743 C GLY A 51 -0.400 -6.425 1.983 1.00 0.00 C ATOM 744 O GLY A 51 -0.488 -7.402 1.239 1.00 0.00 O ATOM 0 H GLY A 51 1.028 -4.197 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.723 -6.359 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.802 -7.061 3.652 1.00 0.00 H new ATOM 748 N GLY A 52 -1.320 -5.455 2.020 1.00 0.00 N ATOM 749 CA GLY A 52 -2.398 -5.309 1.067 1.00 0.00 C ATOM 750 C GLY A 52 -3.550 -4.471 1.617 1.00 0.00 C ATOM 751 O GLY A 52 -3.386 -3.761 2.603 1.00 0.00 O ATOM 0 H GLY A 52 -1.325 -4.733 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.016 -4.844 0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.770 -6.295 0.789 1.00 0.00 H new ATOM 755 N ASP A 53 -4.670 -4.514 0.894 1.00 0.00 N ATOM 756 CA ASP A 53 -5.955 -3.892 1.131 1.00 0.00 C ATOM 757 C ASP A 53 -6.138 -3.192 2.476 1.00 0.00 C ATOM 758 O ASP A 53 -6.319 -3.793 3.533 1.00 0.00 O ATOM 759 CB ASP A 53 -7.140 -4.763 0.717 1.00 0.00 C ATOM 760 CG ASP A 53 -8.390 -3.894 0.560 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.242 -2.644 0.569 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.474 -4.489 0.402 1.00 0.00 O ATOM 0 H ASP A 53 -4.690 -5.052 0.028 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.943 -3.051 0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.919 -5.272 -0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.314 -5.536 1.466 1.00 0.00 H new ATOM 766 N ALA A 54 -6.104 -1.877 2.347 1.00 0.00 N ATOM 767 CA ALA A 54 -6.269 -0.870 3.368 1.00 0.00 C ATOM 768 C ALA A 54 -7.113 0.249 2.763 1.00 0.00 C ATOM 769 O ALA A 54 -7.051 1.398 3.189 1.00 0.00 O ATOM 770 CB ALA A 54 -4.847 -0.455 3.722 1.00 0.00 C ATOM 0 H ALA A 54 -5.944 -1.452 1.434 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.784 -1.190 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.874 0.312 4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.296 -1.321 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.352 -0.059 2.835 1.00 0.00 H new ATOM 776 N THR A 55 -7.917 -0.104 1.756 1.00 0.00 N ATOM 777 CA THR A 55 -8.787 0.800 1.031 1.00 0.00 C ATOM 778 C THR A 55 -9.868 1.319 1.975 1.00 0.00 C ATOM 779 O THR A 55 -10.011 2.523 2.177 1.00 0.00 O ATOM 780 CB THR A 55 -9.384 0.000 -0.129 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.379 -0.509 -0.977 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.362 0.831 -0.958 1.00 0.00 C ATOM 0 H THR A 55 -7.975 -1.065 1.418 1.00 0.00 H new ATOM 0 HA THR A 55 -8.252 1.667 0.643 1.00 0.00 H new ATOM 0 HB THR A 55 -9.928 -0.829 0.324 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.025 -1.342 -0.602 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.760 0.222 -1.769 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.181 1.170 -0.323 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.844 1.695 -1.374 1.00 0.00 H new ATOM 790 N GLU A 56 -10.590 0.391 2.609 1.00 0.00 N ATOM 791 CA GLU A 56 -11.593 0.722 3.610 1.00 0.00 C ATOM 792 C GLU A 56 -10.933 1.479 4.772 1.00 0.00 C ATOM 793 O GLU A 56 -11.374 2.549 5.172 1.00 0.00 O ATOM 794 CB GLU A 56 -12.271 -0.578 4.069 1.00 0.00 C ATOM 795 CG GLU A 56 -13.581 -0.305 4.825 1.00 0.00 C ATOM 796 CD GLU A 56 -14.722 0.093 3.893 1.00 0.00 C ATOM 797 OE1 GLU A 56 -15.393 -0.839 3.400 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.893 1.311 3.685 1.00 0.00 O ATOM 0 H GLU A 56 -10.491 -0.610 2.439 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.358 1.378 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.476 -1.206 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.590 -1.135 4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.867 -1.196 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.418 0.489 5.554 1.00 0.00 H new ATOM 803 N ASN A 57 -9.814 0.941 5.265 1.00 0.00 N ATOM 804 CA ASN A 57 -9.029 1.476 6.375 1.00 0.00 C ATOM 805 C ASN A 57 -8.561 2.916 6.101 1.00 0.00 C ATOM 806 O ASN A 57 -8.518 3.743 7.005 1.00 0.00 O ATOM 807 CB ASN A 57 -7.899 0.479 6.703 1.00 0.00 C ATOM 808 CG ASN A 57 -8.488 -0.926 6.847 1.00 0.00 C ATOM 809 OD1 ASN A 57 -8.871 -1.547 5.860 1.00 0.00 O ATOM 810 ND2 ASN A 57 -8.624 -1.430 8.067 1.00 0.00 N ATOM 0 H ASN A 57 -9.415 0.083 4.883 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.645 1.571 7.269 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.148 0.491 5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.397 0.771 7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.052 -2.347 8.195 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.300 -0.901 8.877 1.00 0.00 H new ATOM 816 N PHE A 58 -8.240 3.231 4.843 1.00 0.00 N ATOM 817 CA PHE A 58 -8.004 4.590 4.375 1.00 0.00 C ATOM 818 C PHE A 58 -9.297 5.430 4.383 1.00 0.00 C ATOM 819 O PHE A 58 -9.342 6.457 5.055 1.00 0.00 O ATOM 820 CB PHE A 58 -7.348 4.497 2.993 1.00 0.00 C ATOM 821 CG PHE A 58 -6.955 5.799 2.329 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.800 6.478 2.759 1.00 0.00 C ATOM 823 CD2 PHE A 58 -7.572 6.171 1.121 1.00 0.00 C ATOM 824 CE1 PHE A 58 -5.227 7.474 1.948 1.00 0.00 C ATOM 825 CE2 PHE A 58 -7.013 7.184 0.323 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.830 7.824 0.728 1.00 0.00 C ATOM 0 H PHE A 58 -8.136 2.530 4.110 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.331 5.118 5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.454 3.880 3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.033 3.971 2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.354 6.234 3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.479 5.676 0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.322 7.971 2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.493 7.470 -0.601 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.385 8.584 0.103 1.00 0.00 H new ATOM 835 N GLU A 59 -10.355 5.005 3.673 1.00 0.00 N ATOM 836 CA GLU A 59 -11.611 5.747 3.531 1.00 0.00 C ATOM 837 C GLU A 59 -12.323 6.023 4.863 1.00 0.00 C ATOM 838 O GLU A 59 -12.959 7.066 5.019 1.00 0.00 O ATOM 839 CB GLU A 59 -12.538 5.065 2.517 1.00 0.00 C ATOM 840 CG GLU A 59 -11.978 5.110 1.083 1.00 0.00 C ATOM 841 CD GLU A 59 -11.625 6.504 0.581 1.00 0.00 C ATOM 842 OE1 GLU A 59 -12.380 7.470 0.839 1.00 0.00 O ATOM 843 OE2 GLU A 59 -10.585 6.618 -0.106 1.00 0.00 O ATOM 0 H GLU A 59 -10.357 4.116 3.172 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.342 6.730 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.692 4.027 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.514 5.550 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.086 4.485 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.711 4.670 0.407 1.00 0.00 H new ATOM 848 N ASP A 60 -12.171 5.128 5.839 1.00 0.00 N ATOM 849 CA ASP A 60 -12.565 5.315 7.229 1.00 0.00 C ATOM 850 C ASP A 60 -12.155 6.711 7.748 1.00 0.00 C ATOM 851 O ASP A 60 -12.943 7.420 8.371 1.00 0.00 O ATOM 852 CB ASP A 60 -11.911 4.171 8.010 1.00 0.00 C ATOM 853 CG ASP A 60 -12.270 4.208 9.486 1.00 0.00 C ATOM 854 OD1 ASP A 60 -13.290 3.580 9.839 1.00 0.00 O ATOM 855 OD2 ASP A 60 -11.513 4.865 10.229 1.00 0.00 O ATOM 0 H ASP A 60 -11.751 4.214 5.671 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.648 5.283 7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.224 3.217 7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.828 4.229 7.899 1.00 0.00 H new ATOM 859 N VAL A 61 -10.936 7.131 7.388 1.00 0.00 N ATOM 860 CA VAL A 61 -10.411 8.481 7.569 1.00 0.00 C ATOM 861 C VAL A 61 -10.031 9.053 6.188 1.00 0.00 C ATOM 862 O VAL A 61 -8.933 9.566 5.985 1.00 0.00 O ATOM 863 CB VAL A 61 -9.269 8.418 8.607 1.00 0.00 C ATOM 864 CG1 VAL A 61 -8.156 7.432 8.218 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.678 9.791 8.957 1.00 0.00 C ATOM 0 H VAL A 61 -10.262 6.508 6.943 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.144 9.177 7.976 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.748 8.038 9.510 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.383 7.434 8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.574 6.430 8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.720 7.733 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.882 9.668 9.691 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.273 10.253 8.057 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.459 10.428 9.372 1.00 0.00 H new ATOM 875 N GLY A 62 -10.942 8.944 5.211 1.00 0.00 N ATOM 876 CA GLY A 62 -10.688 9.213 3.793 1.00 0.00 C ATOM 877 C GLY A 62 -9.991 10.555 3.547 1.00 0.00 C ATOM 878 O GLY A 62 -10.556 11.627 3.749 1.00 0.00 O ATOM 0 H GLY A 62 -11.904 8.658 5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.074 8.412 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.634 9.198 3.252 1.00 0.00 H new ATOM 882 N HIS A 63 -8.734 10.469 3.108 1.00 0.00 N ATOM 883 CA HIS A 63 -7.785 11.573 3.069 1.00 0.00 C ATOM 884 CB HIS A 63 -6.411 10.970 2.796 1.00 0.00 C ATOM 885 CG HIS A 63 -5.826 10.096 3.873 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.457 9.342 4.840 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.491 10.001 4.098 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.500 8.813 5.630 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.283 9.193 5.212 1.00 0.00 N ATOM 0 H HIS A 63 -8.339 9.596 2.758 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.474 10.383 1.879 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.714 11.786 2.605 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.463 9.209 4.940 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.718 10.474 3.510 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.687 8.173 6.480 1.00 0.00 H new ATOM 896 N SER A 64 -7.304 13.789 2.196 1.00 0.00 N ATOM 897 CA SER A 64 -7.309 14.955 1.317 1.00 0.00 C ATOM 898 C SER A 64 -6.978 14.631 -0.143 1.00 0.00 C ATOM 899 O SER A 64 -6.409 13.587 -0.473 1.00 0.00 O ATOM 900 CB SER A 64 -6.253 15.947 1.836 1.00 0.00 C ATOM 901 OG SER A 64 -4.970 15.341 1.837 1.00 0.00 O ATOM 0 HA SER A 64 -8.320 15.363 1.333 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.242 16.838 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.511 16.270 2.844 1.00 0.00 H new ATOM 0 HG SER A 64 -4.336 15.918 2.313 1.00 0.00 H new ATOM 906 N THR A 65 -7.301 15.578 -1.026 1.00 0.00 N ATOM 907 CA THR A 65 -6.825 15.579 -2.400 1.00 0.00 C ATOM 908 C THR A 65 -5.314 15.458 -2.397 1.00 0.00 C ATOM 909 O THR A 65 -4.766 14.474 -2.862 1.00 0.00 O ATOM 910 CB THR A 65 -7.230 16.904 -3.069 1.00 0.00 C ATOM 911 OG1 THR A 65 -7.360 17.941 -2.100 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.597 16.752 -3.733 1.00 0.00 C ATOM 0 H THR A 65 -7.905 16.369 -0.801 1.00 0.00 H new ATOM 0 HA THR A 65 -7.260 14.743 -2.948 1.00 0.00 H new ATOM 0 HB THR A 65 -6.457 17.153 -3.796 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.510 18.422 -2.020 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.879 17.693 -4.205 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.550 15.967 -4.488 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.340 16.487 -2.980 1.00 0.00 H new ATOM 920 N ASP A 66 -4.666 16.441 -1.795 1.00 0.00 N ATOM 921 CA ASP A 66 -3.255 16.568 -1.505 1.00 0.00 C ATOM 922 C ASP A 66 -2.614 15.207 -1.183 1.00 0.00 C ATOM 923 O ASP A 66 -1.621 14.811 -1.792 1.00 0.00 O ATOM 924 CB ASP A 66 -3.174 17.575 -0.348 1.00 0.00 C ATOM 925 CG ASP A 66 -3.903 18.884 -0.656 1.00 0.00 C ATOM 926 OD1 ASP A 66 -5.144 18.804 -0.849 1.00 0.00 O ATOM 927 OD2 ASP A 66 -3.214 19.921 -0.712 1.00 0.00 O ATOM 0 H ASP A 66 -5.177 17.259 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.685 16.925 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.602 17.127 0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.128 17.789 -0.130 1.00 0.00 H new ATOM 931 N ALA A 67 -3.231 14.446 -0.275 1.00 0.00 N ATOM 932 CA ALA A 67 -2.792 13.087 0.034 1.00 0.00 C ATOM 933 C ALA A 67 -2.969 12.119 -1.150 1.00 0.00 C ATOM 934 O ALA A 67 -2.037 11.422 -1.542 1.00 0.00 O ATOM 935 CB ALA A 67 -3.554 12.588 1.259 1.00 0.00 C ATOM 0 H ALA A 67 -4.042 14.753 0.262 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.722 13.117 0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.234 11.574 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.350 13.243 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.623 12.591 1.048 1.00 0.00 H new ATOM 941 N ARG A 68 -4.162 12.051 -1.735 1.00 0.00 N ATOM 942 CA ARG A 68 -4.473 11.190 -2.882 1.00 0.00 C ATOM 943 C ARG A 68 -3.591 11.486 -4.113 1.00 0.00 C ATOM 944 O ARG A 68 -3.250 10.596 -4.907 1.00 0.00 O ATOM 945 CB ARG A 68 -5.970 11.361 -3.173 1.00 0.00 C ATOM 946 CG ARG A 68 -6.802 10.543 -2.170 1.00 0.00 C ATOM 947 CD ARG A 68 -8.256 11.027 -2.077 1.00 0.00 C ATOM 948 NE ARG A 68 -9.126 9.964 -1.531 1.00 0.00 N ATOM 949 CZ ARG A 68 -10.264 10.087 -0.833 1.00 0.00 C ATOM 950 NH1 ARG A 68 -10.638 11.210 -0.241 1.00 0.00 N ATOM 951 NH2 ARG A 68 -11.051 9.036 -0.723 1.00 0.00 N ATOM 0 H ARG A 68 -4.960 12.604 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.249 10.151 -2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.242 12.414 -3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.190 11.036 -4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.790 9.494 -2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.339 10.603 -1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.310 11.911 -1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.610 11.322 -3.065 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.819 9.008 -1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.049 12.040 -0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.516 11.245 0.277 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.789 8.154 -1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.922 9.104 -0.197 1.00 0.00 H new ATOM 962 N GLU A 69 -3.177 12.742 -4.238 1.00 0.00 N ATOM 963 CA GLU A 69 -2.216 13.239 -5.203 1.00 0.00 C ATOM 964 C GLU A 69 -0.791 12.833 -4.831 1.00 0.00 C ATOM 965 O GLU A 69 -0.071 12.281 -5.663 1.00 0.00 O ATOM 966 CB GLU A 69 -2.396 14.751 -5.336 1.00 0.00 C ATOM 967 CG GLU A 69 -3.767 15.124 -5.925 1.00 0.00 C ATOM 968 CD GLU A 69 -4.189 14.271 -7.113 1.00 0.00 C ATOM 969 OE1 GLU A 69 -3.643 14.481 -8.214 1.00 0.00 O ATOM 970 OE2 GLU A 69 -4.969 13.316 -6.888 1.00 0.00 O ATOM 0 H GLU A 69 -3.528 13.481 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.397 12.787 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.285 15.216 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.608 15.154 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.522 15.037 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.746 16.170 -6.232 1.00 0.00 H new ATOM 975 N LEU A 70 -0.408 13.011 -3.566 1.00 0.00 N ATOM 976 CA LEU A 70 0.843 12.453 -3.055 1.00 0.00 C ATOM 977 C LEU A 70 0.930 10.972 -3.397 1.00 0.00 C ATOM 978 O LEU A 70 1.948 10.462 -3.855 1.00 0.00 O ATOM 979 CB LEU A 70 1.003 12.590 -1.519 1.00 0.00 C ATOM 980 CG LEU A 70 2.383 12.132 -1.030 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.530 12.474 -1.958 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.727 12.663 0.357 1.00 0.00 C ATOM 0 H LEU A 70 -0.946 13.537 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 70 1.638 13.028 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.846 13.630 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.231 12.002 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 70 2.279 11.047 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.465 12.111 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.367 12.002 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.585 13.555 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.715 12.306 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.726 13.753 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.987 12.311 1.075 1.00 0.00 H new ATOM 993 N SER A 71 -0.175 10.256 -3.200 1.00 0.00 N ATOM 994 CA SER A 71 -0.133 8.821 -3.195 1.00 0.00 C ATOM 995 C SER A 71 0.363 8.211 -4.510 1.00 0.00 C ATOM 996 O SER A 71 0.964 7.141 -4.519 1.00 0.00 O ATOM 997 CB SER A 71 -1.488 8.282 -2.700 1.00 0.00 C ATOM 998 OG SER A 71 -2.340 7.959 -3.790 1.00 0.00 O ATOM 0 H SER A 71 -1.100 10.657 -3.044 1.00 0.00 H new ATOM 0 HA SER A 71 0.631 8.493 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.328 7.396 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.970 9.027 -2.067 1.00 0.00 H new ATOM 0 HG SER A 71 -2.687 8.784 -4.190 1.00 0.00 H new ATOM 1003 N LYS A 72 0.236 8.950 -5.612 1.00 0.00 N ATOM 1004 CA LYS A 72 0.793 8.520 -6.898 1.00 0.00 C ATOM 1005 C LYS A 72 2.323 8.325 -6.841 1.00 0.00 C ATOM 1006 O LYS A 72 2.861 7.453 -7.515 1.00 0.00 O ATOM 1007 CB LYS A 72 0.351 9.468 -8.020 1.00 0.00 C ATOM 1008 CG LYS A 72 -1.114 9.874 -7.814 1.00 0.00 C ATOM 1009 CD LYS A 72 -1.739 10.495 -9.067 1.00 0.00 C ATOM 1010 CE LYS A 72 -2.769 11.571 -8.700 1.00 0.00 C ATOM 1011 NZ LYS A 72 -3.752 11.131 -7.679 1.00 0.00 N ATOM 0 H LYS A 72 -0.247 9.848 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 72 0.387 7.535 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.985 10.354 -8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.470 8.980 -8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.692 8.997 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.177 10.586 -6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.957 10.933 -9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.218 9.717 -9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.245 12.453 -8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.304 11.872 -9.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.456 11.881 -7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.230 10.268 -8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.259 10.935 -6.784 1.00 0.00 H new ATOM 1021 N THR A 73 3.010 9.095 -5.988 1.00 0.00 N ATOM 1022 CA THR A 73 4.441 8.924 -5.669 1.00 0.00 C ATOM 1023 C THR A 73 4.750 7.720 -4.770 1.00 0.00 C ATOM 1024 O THR A 73 5.878 7.236 -4.721 1.00 0.00 O ATOM 1025 CB THR A 73 5.024 10.224 -5.066 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.256 10.527 -5.686 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.289 10.181 -3.550 1.00 0.00 C ATOM 0 H THR A 73 2.581 9.873 -5.487 1.00 0.00 H new ATOM 0 HA THR A 73 4.930 8.710 -6.619 1.00 0.00 H new ATOM 0 HB THR A 73 4.256 10.976 -5.245 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.621 11.352 -5.303 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.696 11.138 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.355 9.986 -3.023 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.003 9.388 -3.328 1.00 0.00 H new ATOM 1035 N PHE A 74 3.743 7.257 -4.037 1.00 0.00 N ATOM 1036 CA PHE A 74 3.824 6.190 -3.048 1.00 0.00 C ATOM 1037 C PHE A 74 3.385 4.853 -3.638 1.00 0.00 C ATOM 1038 O PHE A 74 3.695 3.787 -3.108 1.00 0.00 O ATOM 1039 CB PHE A 74 2.928 6.605 -1.893 1.00 0.00 C ATOM 1040 CG PHE A 74 3.522 7.585 -0.905 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.852 7.473 -0.443 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.665 8.522 -0.314 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.345 8.394 0.500 1.00 0.00 C ATOM 1044 CE2 PHE A 74 3.112 9.317 0.739 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.463 9.330 1.064 1.00 0.00 C ATOM 0 H PHE A 74 2.800 7.636 -4.122 1.00 0.00 H new ATOM 0 HA PHE A 74 4.851 6.048 -2.712 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.019 7.043 -2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.632 5.708 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.489 6.683 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.653 8.629 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.386 8.381 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.413 9.920 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.839 10.068 1.758 1.00 0.00 H new ATOM 1054 N ILE A 75 2.639 4.920 -4.733 1.00 0.00 N ATOM 1055 CA ILE A 75 2.278 3.770 -5.525 1.00 0.00 C ATOM 1056 C ILE A 75 3.485 3.173 -6.234 1.00 0.00 C ATOM 1057 O ILE A 75 4.421 3.863 -6.631 1.00 0.00 O ATOM 1058 CB ILE A 75 1.244 4.227 -6.572 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.111 4.210 -5.873 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.205 3.427 -7.881 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.242 4.589 -6.804 1.00 0.00 C ATOM 0 H ILE A 75 2.265 5.797 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 75 1.869 3.000 -4.871 1.00 0.00 H new ATOM 0 HB ILE A 75 1.535 5.220 -6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.295 3.215 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.091 4.900 -5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.440 3.841 -8.538 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.176 3.486 -8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.971 2.385 -7.664 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.186 4.562 -6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.074 5.594 -7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.282 3.884 -7.634 1.00 0.00 H new ATOM 1072 N ILE A 76 3.376 1.870 -6.458 1.00 0.00 N ATOM 1073 CA ILE A 76 4.239 1.101 -7.342 1.00 0.00 C ATOM 1074 C ILE A 76 3.436 0.541 -8.531 1.00 0.00 C ATOM 1075 O ILE A 76 3.977 0.381 -9.624 1.00 0.00 O ATOM 1076 CB ILE A 76 4.971 0.019 -6.546 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.953 -0.933 -5.911 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.867 0.667 -5.480 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.671 -2.016 -5.099 1.00 0.00 C ATOM 0 H ILE A 76 2.657 1.300 -6.012 1.00 0.00 H new ATOM 0 HA ILE A 76 5.002 1.752 -7.769 1.00 0.00 H new ATOM 0 HB ILE A 76 5.608 -0.559 -7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.276 -0.374 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.344 -1.395 -6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.384 -0.111 -4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.599 1.313 -5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.254 1.259 -4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.935 -2.685 -4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.329 -2.586 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.260 -1.549 -4.310 1.00 0.00 H new ATOM 1090 N GLY A 77 2.134 0.274 -8.347 1.00 0.00 N ATOM 1091 CA GLY A 77 1.235 -0.044 -9.449 1.00 0.00 C ATOM 1092 C GLY A 77 -0.128 -0.554 -8.981 1.00 0.00 C ATOM 1093 O GLY A 77 -0.853 0.175 -8.311 1.00 0.00 O ATOM 0 H GLY A 77 1.684 0.274 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.093 0.846 -10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.700 -0.798 -10.084 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.477 -1.799 -9.325 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.771 -2.421 -9.038 1.00 0.00 C ATOM 1099 C GLU A 78 -1.601 -3.825 -8.432 1.00 0.00 C ATOM 1100 O GLU A 78 -0.545 -4.439 -8.567 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.550 -2.575 -10.348 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.965 -1.235 -10.968 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.096 -1.351 -11.982 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -4.502 -2.490 -12.308 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -4.625 -0.276 -12.329 1.00 0.00 O ATOM 0 H GLU A 78 0.156 -2.421 -9.828 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.297 -1.784 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.939 -3.125 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.442 -3.174 -10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.271 -0.556 -10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.099 -0.786 -11.454 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.675 -4.370 -7.852 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.699 -5.690 -7.206 1.00 0.00 C ATOM 1112 C LEU A 79 -2.780 -6.897 -8.137 1.00 0.00 C ATOM 1113 O LEU A 79 -2.804 -8.017 -7.650 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.720 -5.676 -6.044 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.923 -6.639 -6.139 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.760 -7.782 -5.151 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.249 -5.957 -5.800 1.00 0.00 C ATOM 0 H LEU A 79 -3.577 -3.894 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.709 -5.856 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.183 -5.899 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.108 -4.662 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.944 -6.990 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.615 -8.454 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.846 -8.331 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.703 -7.382 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.061 -6.679 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.209 -5.570 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.423 -5.135 -6.494 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.772 -6.663 -9.451 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.710 -7.656 -10.522 1.00 0.00 C ATOM 1130 C HIS A 80 -4.068 -8.238 -10.886 1.00 0.00 C ATOM 1131 O HIS A 80 -4.892 -8.575 -10.038 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.666 -8.736 -10.249 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.296 -9.693 -11.349 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.771 -10.958 -11.580 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.272 -9.484 -12.228 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.117 -11.447 -12.651 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.187 -10.582 -13.079 1.00 0.00 N ATOM 0 H HIS A 80 -2.811 -5.712 -9.818 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.379 -7.115 -11.408 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.752 -8.236 -9.928 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.019 -9.328 -9.404 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.365 -8.613 -12.258 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.315 -12.407 -13.104 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.451 -10.703 -13.866 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.369 -8.331 -12.183 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.635 -8.889 -12.601 1.00 0.00 C ATOM 1146 C PRO A 81 -5.763 -10.381 -12.351 1.00 0.00 C ATOM 1147 O PRO A 81 -6.846 -10.911 -12.581 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.697 -8.631 -14.096 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.248 -8.495 -14.549 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.549 -7.936 -13.321 1.00 0.00 C ATOM 0 HA PRO A 81 -6.442 -8.430 -12.030 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.195 -9.450 -14.615 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.263 -7.725 -14.314 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.828 -9.455 -14.849 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.155 -7.826 -15.404 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.538 -8.334 -13.231 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.460 -6.851 -13.381 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.709 -11.040 -11.862 1.00 0.00 N ATOM 1156 CA ASP A 82 -4.907 -12.445 -11.448 1.00 0.00 C ATOM 1157 C ASP A 82 -5.278 -12.524 -9.959 1.00 0.00 C ATOM 1158 O ASP A 82 -5.138 -13.567 -9.324 1.00 0.00 O ATOM 1159 CB ASP A 82 -3.718 -13.320 -11.883 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.058 -14.800 -12.019 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.072 -15.099 -12.683 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.244 -15.606 -11.522 1.00 0.00 O ATOM 0 H ASP A 82 -3.768 -10.663 -11.745 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.763 -12.871 -11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.341 -12.955 -12.838 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.912 -13.207 -11.158 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.737 -11.392 -9.410 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.892 -11.186 -7.995 1.00 0.00 C ATOM 1168 C ASP A 83 -7.170 -10.368 -7.678 1.00 0.00 C ATOM 1169 O ASP A 83 -7.905 -10.697 -6.749 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.577 -10.489 -7.641 1.00 0.00 C ATOM 1171 CG ASP A 83 -4.016 -10.957 -6.319 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.804 -11.029 -5.356 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.797 -11.251 -6.307 1.00 0.00 O ATOM 0 H ASP A 83 -6.013 -10.583 -9.967 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.046 -12.090 -7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.847 -10.675 -8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.738 -9.412 -7.603 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.451 -9.319 -8.470 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.733 -8.598 -8.442 1.00 0.00 C ATOM 1179 C ARG A 84 -9.936 -9.508 -8.746 1.00 0.00 C ATOM 1180 O ARG A 84 -10.985 -9.291 -8.097 1.00 0.00 O ATOM 1181 CB ARG A 84 -8.748 -7.445 -9.467 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.139 -6.135 -8.953 1.00 0.00 C ATOM 1183 CD ARG A 84 -6.628 -6.119 -9.132 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.231 -6.055 -10.544 1.00 0.00 N ATOM 1185 CZ ARG A 84 -5.909 -4.941 -11.208 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -6.141 -3.743 -10.705 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.310 -4.979 -12.384 1.00 0.00 N ATOM 1188 OXT ARG A 84 -9.819 -10.332 -9.679 1.00 0.00 O ATOM 0 H ARG A 84 -6.790 -8.946 -9.152 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.825 -8.213 -7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.205 -7.760 -10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.778 -7.258 -9.771 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.579 -5.293 -9.487 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.384 -6.007 -7.899 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.211 -5.263 -8.601 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.202 -7.014 -8.678 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.198 -6.934 -11.061 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.576 -3.651 -9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.885 -2.909 -11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.080 -5.877 -12.811 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.077 -4.111 -12.866 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.520 8.881 6.001 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.273 11.614 7.945 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.118 10.981 3.610 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.294 6.194 3.833 1.00 0.00 C HETATM 1204 CHD HEM A 201 -3.826 6.771 8.501 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.169 10.915 5.852 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.617 11.823 6.751 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.377 13.139 6.222 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.670 12.975 5.049 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.603 11.555 4.785 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.150 14.085 4.166 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.083 14.395 6.708 1.00 0.00 C HETATM 1212 CBA HEM A 201 -2.188 15.569 7.078 1.00 0.00 C HETATM 1213 CGA HEM A 201 -1.917 16.524 5.919 1.00 0.00 C HETATM 1214 O1A HEM A 201 -2.849 16.741 5.112 1.00 0.00 O HETATM 1215 O2A HEM A 201 -0.770 17.015 5.859 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.761 8.617 4.118 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.249 9.623 3.323 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.962 9.054 2.028 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.290 7.725 2.112 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.807 7.438 3.424 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.582 9.826 0.792 1.00 0.00 C HETATM 1222 CAB HEM A 201 -1.312 6.758 0.952 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.140 6.328 0.455 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.003 6.856 6.127 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.824 5.956 5.100 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.299 4.670 5.551 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.650 4.839 6.871 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.516 6.226 7.239 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.387 3.398 4.729 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.046 3.729 7.817 1.00 0.00 C HETATM 1231 CBC HEM A 201 -5.262 3.155 7.713 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.368 9.147 7.914 1.00 0.00 N HETATM 1233 C1D HEM A 201 -3.775 8.151 8.758 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.165 8.785 10.001 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.087 10.150 9.813 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.555 10.363 8.488 1.00 0.00 C HETATM 1237 CMD HEM A 201 -4.603 8.080 11.262 1.00 0.00 C HETATM 1238 CAD HEM A 201 -4.308 11.241 10.847 1.00 0.00 C HETATM 1239 CBD HEM A 201 -5.608 11.187 11.641 1.00 0.00 C HETATM 1240 CGD HEM A 201 -5.675 12.342 12.628 1.00 0.00 C HETATM 1241 O1D HEM A 201 -4.908 12.281 13.613 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.467 13.271 12.365 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.290 13.727 3.600 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -0.851 14.932 4.784 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -1.933 14.398 3.476 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 -1.043 10.813 0.824 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 -0.930 9.292 -0.092 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 0.502 9.932 0.748 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.558 3.652 3.683 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.212 2.786 5.093 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.454 2.841 4.819 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -4.329 8.681 12.129 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -4.113 7.108 11.325 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -5.684 7.941 11.244 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.126 5.630 -0.382 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 0.797 6.677 0.889 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -5.547 2.354 8.396 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -5.960 3.492 6.946 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -1.238 15.187 7.452 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -2.651 16.124 7.894 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -3.684 14.135 7.579 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.773 14.722 5.931 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -5.676 10.239 12.175 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -6.459 11.232 10.961 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -4.261 12.204 10.339 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -3.478 11.212 11.553 1.00 0.00 H new HETATM 0 HHA HEM A 201 -3.592 12.484 8.500 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.620 11.615 2.892 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.258 5.374 3.131 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.113 6.103 9.300 1.00 0.00 H new HETATM 0 HAB HEM A 201 -2.256 6.417 0.528 1.00 0.00 H new HETATM 0 HAC HEM A 201 -3.348 3.392 8.584 1.00 0.00 H new