USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 659 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= 1.21 K(o=1.7,f=-3.6) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.413 K(o=1.7,f=-2) USER MOD Set 1.3: A 61 HIS : no HE2:sc= 0.976 K(o=1.7,f=-3.8!) USER MOD Set 1.4: A 201 HEM CMD :methyl -30:sc= -0.091 (180deg=-0.751) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -0.593 K(o=-0.52,f=-2.9) USER MOD Set 2.2: A 19 LYS NZ :NH3+ -151:sc= 0.074 (180deg=0) USER MOD Set 3.1: A 16 ASN : amide:sc= 1.53 K(o=3,f=-2.6!) USER MOD Set 3.2: A 17 ASN : amide:sc= 1.49 K(o=3,f=0.25) USER MOD Set 4.1: A 13 GLN : amide:sc= -5.14! K(o=-8.8!,f=3.1) USER MOD Set 4.2: A 14 LYS NZ :NH3+ -174:sc= -3.63! (180deg=-0.969) USER MOD Set 5.1: A 5 LYS NZ :NH3+ -157:sc= 1.33 (180deg=0) USER MOD Set 5.2: A 7 TYR OH : rot 125:sc= 2.21 USER MOD Single : A 6 TYR OH : rot 96:sc= 1.31 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -164:sc= 0.0683 USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.741 USER MOD Single : A 26 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.87) USER MOD Single : A 27 TYR OH : rot 166:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= 1.24 (180deg=1.08) USER MOD Single : A 30 TYR OH : rot 19:sc= 0.959 USER MOD Single : A 33 THR OG1 : rot -87:sc= 1.24 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 64:sc= 2.1 USER MOD Single : A 64 SER OG : rot -143:sc= 1.01 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -41:sc= 1.22 USER MOD Single : A 72 LYS NZ :NH3+ 142:sc= 0.559 (180deg=-2.43!) USER MOD Single : A 73 THR OG1 : rot 132:sc= 1.24 USER MOD Single : A 80 HIS : no HD1:sc= -0.604 X(o=-0.6,f=-0.7) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -1.65 (180deg=-1.65) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -0.875 (180deg=-0.875) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.307 (180deg=-0.307) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -10.502 17.719 1.260 1.00 10.00 N ATOM 2 CA ALA A 3 -9.514 17.997 2.319 1.00 10.00 C ATOM 3 C ALA A 3 -8.391 16.972 2.198 1.00 10.00 C ATOM 4 O ALA A 3 -8.507 16.091 1.351 1.00 10.00 O ATOM 5 CB ALA A 3 -10.166 17.952 3.706 1.00 10.00 C ATOM 0 HA ALA A 3 -9.109 19.002 2.198 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -9.415 18.160 4.468 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -10.956 18.701 3.761 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -10.591 16.963 3.876 1.00 10.00 H new ATOM 13 N VAL A 4 -7.345 17.071 3.024 1.00 10.00 N ATOM 14 CA VAL A 4 -6.196 16.169 2.981 1.00 10.00 C ATOM 15 C VAL A 4 -5.657 16.162 1.551 1.00 10.00 C ATOM 16 O VAL A 4 -5.325 17.226 1.033 1.00 10.00 O ATOM 17 CB VAL A 4 -6.564 14.768 3.520 1.00 10.00 C ATOM 18 CG1 VAL A 4 -5.295 14.033 3.970 1.00 10.00 C ATOM 19 CG2 VAL A 4 -7.546 14.855 4.675 1.00 10.00 C ATOM 0 H VAL A 4 -7.274 17.787 3.747 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.401 16.517 3.641 1.00 10.00 H new ATOM 0 HB VAL A 4 -7.043 14.213 2.713 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.561 13.046 4.349 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.617 13.926 3.123 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -4.804 14.604 4.758 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.782 13.851 5.028 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.102 15.431 5.487 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.460 15.346 4.340 1.00 10.00 H new ATOM 29 N LYS A 5 -5.674 15.007 0.878 1.00 10.00 N ATOM 30 CA LYS A 5 -5.827 14.966 -0.557 1.00 10.00 C ATOM 31 C LYS A 5 -7.015 14.074 -0.904 1.00 10.00 C ATOM 32 O LYS A 5 -7.932 14.503 -1.598 1.00 10.00 O ATOM 33 CB LYS A 5 -4.494 14.526 -1.183 1.00 10.00 C ATOM 34 CG LYS A 5 -4.380 14.796 -2.688 1.00 10.00 C ATOM 35 CD LYS A 5 -2.896 14.666 -3.076 1.00 10.00 C ATOM 36 CE LYS A 5 -2.595 15.017 -4.540 1.00 10.00 C ATOM 37 NZ LYS A 5 -3.152 14.026 -5.479 1.00 10.00 N ATOM 0 H LYS A 5 -5.582 14.091 1.318 1.00 10.00 H new ATOM 0 HA LYS A 5 -6.053 15.947 -0.975 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -3.680 15.039 -0.672 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -4.359 13.459 -1.007 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -4.986 14.086 -3.251 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.752 15.792 -2.927 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -2.305 15.315 -2.430 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -2.570 13.643 -2.885 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -3.006 16.001 -4.767 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -1.516 15.082 -4.681 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.626 14.064 -6.376 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -3.069 13.074 -5.069 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -4.154 14.240 -5.656 1.00 10.00 H new ATOM 51 N TYR A 6 -6.989 12.847 -0.380 1.00 10.00 N ATOM 52 CA TYR A 6 -7.923 11.788 -0.711 1.00 10.00 C ATOM 53 C TYR A 6 -7.885 11.380 -2.172 1.00 10.00 C ATOM 54 O TYR A 6 -7.412 12.079 -3.066 1.00 10.00 O ATOM 55 CB TYR A 6 -9.373 12.047 -0.264 1.00 10.00 C ATOM 56 CG TYR A 6 -9.666 11.811 1.193 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.905 10.497 1.605 1.00 10.00 C ATOM 58 CD2 TYR A 6 -9.787 12.866 2.114 1.00 10.00 C ATOM 59 CE1 TYR A 6 -10.108 10.203 2.957 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.041 12.578 3.466 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.136 11.244 3.898 1.00 10.00 C ATOM 62 OH TYR A 6 -10.135 10.959 5.226 1.00 10.00 O ATOM 0 H TYR A 6 -6.292 12.562 0.308 1.00 10.00 H new ATOM 0 HA TYR A 6 -7.559 10.949 -0.119 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -9.627 13.080 -0.503 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.033 11.412 -0.855 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -9.933 9.703 0.874 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -9.686 13.890 1.785 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -10.243 9.180 3.276 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.163 13.384 4.175 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.219 11.008 5.570 1.00 10.00 H new ATOM 72 N TYR A 7 -8.365 10.157 -2.323 1.00 10.00 N ATOM 73 CA TYR A 7 -8.324 9.281 -3.451 1.00 10.00 C ATOM 74 C TYR A 7 -9.487 8.324 -3.230 1.00 10.00 C ATOM 75 O TYR A 7 -9.808 7.998 -2.094 1.00 10.00 O ATOM 76 CB TYR A 7 -6.982 8.563 -3.327 1.00 10.00 C ATOM 77 CG TYR A 7 -5.804 9.101 -4.123 1.00 10.00 C ATOM 78 CD1 TYR A 7 -5.899 10.290 -4.880 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.530 8.616 -3.785 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.759 11.064 -5.130 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.392 9.397 -4.029 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.515 10.652 -4.636 1.00 10.00 C ATOM 83 OH TYR A 7 -2.500 11.560 -4.549 1.00 10.00 O ATOM 0 H TYR A 7 -8.854 9.711 -1.547 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.407 9.750 -4.431 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.700 8.563 -2.274 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.133 7.523 -3.617 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -6.857 10.604 -5.268 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.427 7.639 -3.336 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -4.839 11.976 -5.702 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.416 9.029 -3.748 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.159 11.583 -3.630 1.00 10.00 H new ATOM 93 N THR A 8 -10.176 7.922 -4.285 1.00 10.00 N ATOM 94 CA THR A 8 -11.403 7.154 -4.168 1.00 10.00 C ATOM 95 C THR A 8 -11.068 5.670 -4.291 1.00 10.00 C ATOM 96 O THR A 8 -10.094 5.326 -4.957 1.00 10.00 O ATOM 97 CB THR A 8 -12.332 7.609 -5.296 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.598 7.622 -6.506 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.832 9.023 -4.987 1.00 10.00 C ATOM 0 H THR A 8 -9.900 8.119 -5.247 1.00 10.00 H new ATOM 0 HA THR A 8 -11.893 7.310 -3.207 1.00 10.00 H new ATOM 0 HB THR A 8 -13.182 6.933 -5.385 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.181 7.910 -7.239 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.495 9.357 -5.785 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.375 9.018 -4.042 1.00 10.00 H new ATOM 0 HG23 THR A 8 -11.982 9.702 -4.914 1.00 10.00 H new ATOM 107 N LEU A 9 -11.871 4.779 -3.697 1.00 10.00 N ATOM 108 CA LEU A 9 -11.718 3.349 -3.961 1.00 10.00 C ATOM 109 C LEU A 9 -11.720 3.081 -5.461 1.00 10.00 C ATOM 110 O LEU A 9 -10.909 2.288 -5.924 1.00 10.00 O ATOM 111 CB LEU A 9 -12.752 2.523 -3.202 1.00 10.00 C ATOM 112 CG LEU A 9 -12.788 1.024 -3.551 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.471 0.328 -3.180 1.00 10.00 C ATOM 114 CD2 LEU A 9 -13.931 0.357 -2.779 1.00 10.00 C ATOM 0 H LEU A 9 -12.617 5.018 -3.044 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.748 3.026 -3.582 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.560 2.625 -2.134 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.739 2.946 -3.390 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.938 0.930 -4.627 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.532 -0.729 -3.440 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -10.649 0.790 -3.727 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -11.296 0.428 -2.109 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -13.963 -0.705 -3.021 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -13.768 0.480 -1.708 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -14.877 0.821 -3.057 1.00 10.00 H new ATOM 126 N GLU A 10 -12.559 3.802 -6.213 1.00 10.00 N ATOM 127 CA GLU A 10 -12.513 3.811 -7.668 1.00 10.00 C ATOM 128 C GLU A 10 -11.062 3.880 -8.144 1.00 10.00 C ATOM 129 O GLU A 10 -10.575 2.922 -8.729 1.00 10.00 O ATOM 130 CB GLU A 10 -13.342 4.979 -8.221 1.00 10.00 C ATOM 131 CG GLU A 10 -13.559 4.889 -9.740 1.00 10.00 C ATOM 132 CD GLU A 10 -14.414 3.695 -10.143 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.634 3.763 -9.893 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.833 2.729 -10.689 1.00 10.00 O ATOM 0 H GLU A 10 -13.290 4.396 -5.822 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.949 2.887 -8.047 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.310 5.000 -7.721 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.841 5.918 -7.985 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -14.034 5.805 -10.090 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.591 4.822 -10.238 1.00 10.00 H new ATOM 141 N GLU A 11 -10.343 4.967 -7.851 1.00 10.00 N ATOM 142 CA GLU A 11 -8.949 5.083 -8.270 1.00 10.00 C ATOM 143 C GLU A 11 -8.125 3.944 -7.693 1.00 10.00 C ATOM 144 O GLU A 11 -7.314 3.329 -8.381 1.00 10.00 O ATOM 145 CB GLU A 11 -8.326 6.403 -7.782 1.00 10.00 C ATOM 146 CG GLU A 11 -8.748 7.620 -8.609 1.00 10.00 C ATOM 147 CD GLU A 11 -7.958 7.709 -9.915 1.00 10.00 C ATOM 148 OE1 GLU A 11 -8.293 6.954 -10.855 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.009 8.521 -9.943 1.00 10.00 O ATOM 0 H GLU A 11 -10.700 5.769 -7.331 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.941 5.051 -9.360 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.607 6.565 -6.742 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.240 6.315 -7.808 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.814 7.560 -8.830 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.594 8.528 -8.027 1.00 10.00 H new ATOM 156 N ILE A 12 -8.288 3.708 -6.396 1.00 10.00 N ATOM 157 CA ILE A 12 -7.367 2.869 -5.671 1.00 10.00 C ATOM 158 C ILE A 12 -7.378 1.456 -6.239 1.00 10.00 C ATOM 159 O ILE A 12 -6.308 0.913 -6.509 1.00 10.00 O ATOM 160 CB ILE A 12 -7.671 2.926 -4.163 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.402 4.327 -3.582 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.873 1.882 -3.382 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.228 4.602 -2.327 1.00 10.00 C ATOM 0 H ILE A 12 -9.050 4.089 -5.835 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.350 3.241 -5.796 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.732 2.701 -4.054 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.342 4.422 -3.345 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.629 5.080 -4.336 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.117 1.956 -2.322 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.126 0.885 -3.744 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.807 2.059 -3.522 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.003 5.602 -1.955 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.289 4.535 -2.568 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.982 3.866 -1.561 1.00 10.00 H new ATOM 175 N GLN A 13 -8.566 0.892 -6.485 1.00 10.00 N ATOM 176 CA GLN A 13 -8.701 -0.456 -7.045 1.00 10.00 C ATOM 177 C GLN A 13 -7.847 -0.534 -8.304 1.00 10.00 C ATOM 178 O GLN A 13 -7.066 -1.450 -8.547 1.00 10.00 O ATOM 179 CB GLN A 13 -10.132 -0.682 -7.559 1.00 10.00 C ATOM 180 CG GLN A 13 -11.265 -0.985 -6.587 1.00 10.00 C ATOM 181 CD GLN A 13 -12.591 -1.081 -7.347 1.00 10.00 C ATOM 182 OE1 GLN A 13 -13.594 -1.427 -6.694 1.00 10.00 O ATOM 183 NE2 GLN A 13 -12.581 -0.816 -8.578 1.00 10.00 N ATOM 0 H GLN A 13 -9.456 1.355 -6.302 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.425 -1.172 -6.271 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.417 0.209 -8.118 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.091 -1.505 -8.272 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -11.067 -1.921 -6.064 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.325 -0.203 -5.830 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -11.711 -0.540 -9.033 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -13.443 -0.878 -9.120 1.00 10.00 H new ATOM 190 N LYS A 14 -8.088 0.484 -9.119 1.00 10.00 N ATOM 191 CA LYS A 14 -7.558 0.699 -10.434 1.00 10.00 C ATOM 192 C LYS A 14 -6.030 0.791 -10.398 1.00 10.00 C ATOM 193 O LYS A 14 -5.393 0.557 -11.422 1.00 10.00 O ATOM 194 CB LYS A 14 -8.221 1.984 -10.949 1.00 10.00 C ATOM 195 CG LYS A 14 -9.014 1.851 -12.258 1.00 10.00 C ATOM 196 CD LYS A 14 -10.234 0.899 -12.181 1.00 10.00 C ATOM 197 CE LYS A 14 -11.119 1.247 -10.972 1.00 10.00 C ATOM 198 NZ LYS A 14 -12.410 0.537 -10.865 1.00 10.00 N ATOM 0 H LYS A 14 -8.715 1.239 -8.841 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.776 -0.131 -11.106 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.893 2.358 -10.176 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.447 2.738 -11.091 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -9.360 2.840 -12.559 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.342 1.496 -13.040 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -10.818 0.973 -13.099 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.892 -0.133 -12.103 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.547 1.051 -10.065 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.321 2.318 -10.996 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.957 0.928 -10.071 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -12.947 0.657 -11.748 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.237 -0.475 -10.700 1.00 10.00 H new ATOM 212 N HIS A 15 -5.428 1.113 -9.248 1.00 10.00 N ATOM 213 CA HIS A 15 -3.988 1.183 -9.080 1.00 10.00 C ATOM 214 C HIS A 15 -3.453 -0.101 -8.442 1.00 10.00 C ATOM 215 O HIS A 15 -2.997 -0.116 -7.302 1.00 10.00 O ATOM 216 CB HIS A 15 -3.613 2.449 -8.305 1.00 10.00 C ATOM 217 CG HIS A 15 -3.641 3.712 -9.138 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.623 4.633 -9.253 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.632 4.100 -10.001 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.987 5.531 -10.185 1.00 10.00 C ATOM 221 NE2 HIS A 15 -4.196 5.235 -10.695 1.00 10.00 N ATOM 0 H HIS A 15 -5.945 1.335 -8.397 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.508 1.256 -10.056 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.298 2.565 -7.465 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.614 2.324 -7.887 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.750 4.634 -8.726 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.588 3.613 -10.125 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.388 6.378 -10.485 1.00 10.00 H new ATOM 229 N ASN A 16 -3.446 -1.176 -9.228 1.00 10.00 N ATOM 230 CA ASN A 16 -2.800 -2.443 -8.870 1.00 10.00 C ATOM 231 C ASN A 16 -2.347 -3.228 -10.105 1.00 10.00 C ATOM 232 O ASN A 16 -2.239 -4.454 -10.077 1.00 10.00 O ATOM 233 CB ASN A 16 -3.683 -3.262 -7.916 1.00 10.00 C ATOM 234 CG ASN A 16 -4.956 -3.823 -8.541 1.00 10.00 C ATOM 235 OD1 ASN A 16 -5.179 -3.713 -9.747 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.797 -4.438 -7.714 1.00 10.00 N ATOM 0 H ASN A 16 -3.894 -1.194 -10.144 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.885 -2.212 -8.324 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.095 -4.090 -7.520 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.958 -2.633 -7.069 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.663 -4.839 -8.073 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.576 -4.508 -6.721 1.00 10.00 H new ATOM 243 N ASN A 17 -2.063 -2.532 -11.208 1.00 10.00 N ATOM 244 CA ASN A 17 -1.922 -3.161 -12.518 1.00 10.00 C ATOM 245 C ASN A 17 -1.040 -2.302 -13.421 1.00 10.00 C ATOM 246 O ASN A 17 -1.458 -1.853 -14.482 1.00 10.00 O ATOM 247 CB ASN A 17 -3.307 -3.444 -13.130 1.00 10.00 C ATOM 248 CG ASN A 17 -4.218 -2.219 -13.103 1.00 10.00 C ATOM 249 OD1 ASN A 17 -4.220 -1.401 -14.016 1.00 10.00 O ATOM 250 ND2 ASN A 17 -4.989 -2.061 -12.033 1.00 10.00 N ATOM 0 H ASN A 17 -1.925 -1.521 -11.216 1.00 10.00 H new ATOM 0 HA ASN A 17 -1.424 -4.125 -12.409 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -3.184 -3.779 -14.160 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -3.783 -4.259 -12.584 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -5.599 -1.247 -11.959 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -4.971 -2.754 -11.285 1.00 10.00 H new ATOM 257 N SER A 18 0.205 -2.064 -12.998 1.00 10.00 N ATOM 258 CA SER A 18 1.207 -1.293 -13.740 1.00 10.00 C ATOM 259 C SER A 18 0.940 0.207 -13.585 1.00 10.00 C ATOM 260 O SER A 18 1.848 0.956 -13.240 1.00 10.00 O ATOM 261 CB SER A 18 1.314 -1.737 -15.210 1.00 10.00 C ATOM 262 OG SER A 18 2.574 -1.367 -15.730 1.00 10.00 O ATOM 0 H SER A 18 0.553 -2.412 -12.105 1.00 10.00 H new ATOM 0 HA SER A 18 2.187 -1.498 -13.308 1.00 10.00 H new ATOM 0 HB2 SER A 18 1.182 -2.816 -15.284 1.00 10.00 H new ATOM 0 HB3 SER A 18 0.519 -1.278 -15.797 1.00 10.00 H new ATOM 0 HG SER A 18 2.639 -1.653 -16.665 1.00 10.00 H new ATOM 268 N LYS A 19 -0.330 0.608 -13.747 1.00 10.00 N ATOM 269 CA LYS A 19 -0.929 1.815 -13.181 1.00 10.00 C ATOM 270 C LYS A 19 -0.165 2.301 -11.947 1.00 10.00 C ATOM 271 O LYS A 19 0.299 3.436 -11.894 1.00 10.00 O ATOM 272 CB LYS A 19 -2.369 1.471 -12.763 1.00 10.00 C ATOM 273 CG LYS A 19 -3.430 1.853 -13.799 1.00 10.00 C ATOM 274 CD LYS A 19 -3.702 3.367 -13.717 1.00 10.00 C ATOM 275 CE LYS A 19 -5.041 3.781 -14.340 1.00 10.00 C ATOM 276 NZ LYS A 19 -5.451 5.132 -13.886 1.00 10.00 N ATOM 0 H LYS A 19 -0.995 0.070 -14.304 1.00 10.00 H new ATOM 0 HA LYS A 19 -0.900 2.607 -13.929 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -2.434 0.400 -12.571 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -2.594 1.978 -11.825 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -3.090 1.587 -14.800 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -4.349 1.297 -13.617 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -3.686 3.675 -12.672 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -2.896 3.901 -14.220 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -4.958 3.770 -15.427 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -5.809 3.056 -14.071 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -6.489 5.199 -13.888 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -5.095 5.297 -12.923 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -5.057 5.849 -14.528 1.00 10.00 H new ATOM 290 N SER A 20 -0.070 1.416 -10.953 1.00 10.00 N ATOM 291 CA SER A 20 0.737 1.492 -9.766 1.00 10.00 C ATOM 292 C SER A 20 0.387 0.216 -8.994 1.00 10.00 C ATOM 293 O SER A 20 -0.371 -0.619 -9.496 1.00 10.00 O ATOM 294 CB SER A 20 0.448 2.785 -8.988 1.00 10.00 C ATOM 295 OG SER A 20 1.016 2.726 -7.703 1.00 10.00 O ATOM 0 H SER A 20 -0.613 0.553 -10.975 1.00 10.00 H new ATOM 0 HA SER A 20 1.807 1.540 -9.968 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.851 3.640 -9.531 1.00 10.00 H new ATOM 0 HB3 SER A 20 -0.629 2.936 -8.909 1.00 10.00 H new ATOM 0 HG SER A 20 0.617 3.419 -7.137 1.00 10.00 H new ATOM 301 N THR A 21 0.940 0.083 -7.795 1.00 10.00 N ATOM 302 CA THR A 21 0.450 -0.774 -6.726 1.00 10.00 C ATOM 303 C THR A 21 0.154 0.106 -5.501 1.00 10.00 C ATOM 304 O THR A 21 1.069 0.467 -4.760 1.00 10.00 O ATOM 305 CB THR A 21 1.475 -1.882 -6.459 1.00 10.00 C ATOM 306 OG1 THR A 21 1.662 -2.601 -7.662 1.00 10.00 O ATOM 307 CG2 THR A 21 1.007 -2.887 -5.407 1.00 10.00 C ATOM 0 H THR A 21 1.782 0.594 -7.530 1.00 10.00 H new ATOM 0 HA THR A 21 -0.479 -1.275 -6.996 1.00 10.00 H new ATOM 0 HB THR A 21 2.384 -1.404 -6.096 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.046 -3.480 -7.461 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.775 -3.646 -5.262 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.826 -2.370 -4.465 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.085 -3.363 -5.743 1.00 10.00 H new ATOM 315 N TRP A 22 -1.122 0.462 -5.321 1.00 10.00 N ATOM 316 CA TRP A 22 -1.653 1.262 -4.222 1.00 10.00 C ATOM 317 C TRP A 22 -2.253 0.353 -3.153 1.00 10.00 C ATOM 318 O TRP A 22 -2.607 -0.783 -3.447 1.00 10.00 O ATOM 319 CB TRP A 22 -2.733 2.213 -4.760 1.00 10.00 C ATOM 320 CG TRP A 22 -2.248 3.509 -5.338 1.00 10.00 C ATOM 321 CD1 TRP A 22 -0.975 3.800 -5.662 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.011 4.698 -5.686 1.00 10.00 C ATOM 323 NE1 TRP A 22 -0.905 5.040 -6.256 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.149 5.641 -6.321 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.348 5.077 -5.502 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.630 6.866 -6.822 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -4.853 6.274 -6.030 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.007 7.149 -6.726 1.00 10.00 C ATOM 0 H TRP A 22 -1.850 0.182 -5.978 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.844 1.842 -3.777 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.301 1.687 -5.528 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.426 2.438 -3.949 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.129 3.153 -5.482 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.044 5.462 -6.604 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.006 4.431 -4.939 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -1.954 7.577 -7.273 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -5.896 6.522 -5.900 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.410 8.038 -7.188 1.00 10.00 H new ATOM 339 N LEU A 23 -2.406 0.842 -1.922 1.00 10.00 N ATOM 340 CA LEU A 23 -3.036 0.091 -0.839 1.00 10.00 C ATOM 341 C LEU A 23 -3.542 1.051 0.232 1.00 10.00 C ATOM 342 O LEU A 23 -3.064 2.185 0.297 1.00 10.00 O ATOM 343 CB LEU A 23 -2.103 -0.959 -0.196 1.00 10.00 C ATOM 344 CG LEU A 23 -0.605 -0.882 -0.517 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.194 -0.835 0.782 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.163 -2.092 -1.348 1.00 10.00 C ATOM 0 H LEU A 23 -2.095 1.774 -1.648 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.866 -0.457 -1.284 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.217 -0.889 0.886 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.458 -1.947 -0.491 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.421 0.022 -1.097 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.258 -0.780 0.553 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.099 0.043 1.358 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -0.006 -1.734 1.365 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.903 -2.016 -1.564 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.355 -3.007 -0.789 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.722 -2.114 -2.284 1.00 10.00 H new ATOM 358 N ILE A 24 -4.472 0.572 1.071 1.00 10.00 N ATOM 359 CA ILE A 24 -4.973 1.284 2.247 1.00 10.00 C ATOM 360 C ILE A 24 -4.448 0.611 3.503 1.00 10.00 C ATOM 361 O ILE A 24 -4.630 -0.590 3.668 1.00 10.00 O ATOM 362 CB ILE A 24 -6.522 1.345 2.334 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.273 1.480 1.005 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.936 2.494 3.252 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.675 0.863 1.062 1.00 10.00 C ATOM 0 H ILE A 24 -4.904 -0.343 0.944 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.616 2.310 2.156 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.810 0.370 2.727 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.353 2.535 0.741 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.698 0.997 0.215 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.023 2.537 3.313 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.523 2.331 4.247 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.558 3.434 2.851 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.166 0.985 0.096 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.596 -0.198 1.298 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.262 1.363 1.832 1.00 10.00 H new ATOM 377 N LEU A 25 -3.813 1.399 4.373 1.00 10.00 N ATOM 378 CA LEU A 25 -3.288 0.981 5.665 1.00 10.00 C ATOM 379 C LEU A 25 -3.743 2.041 6.674 1.00 10.00 C ATOM 380 O LEU A 25 -3.083 3.068 6.837 1.00 10.00 O ATOM 381 CB LEU A 25 -1.755 0.873 5.610 1.00 10.00 C ATOM 382 CG LEU A 25 -1.134 -0.463 5.177 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.667 -1.051 3.875 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.371 -0.262 4.973 1.00 10.00 C ATOM 0 H LEU A 25 -3.646 2.387 4.184 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.656 -0.004 5.952 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.392 1.644 4.931 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.369 1.113 6.601 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.392 -1.159 5.975 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -1.159 -1.993 3.666 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.738 -1.229 3.968 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.485 -0.352 3.059 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.825 -1.204 4.665 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.536 0.490 4.202 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.824 0.071 5.907 1.00 10.00 H new ATOM 396 N HIS A 26 -4.881 1.802 7.333 1.00 10.00 N ATOM 397 CA HIS A 26 -5.501 2.688 8.311 1.00 10.00 C ATOM 398 C HIS A 26 -6.152 3.889 7.619 1.00 10.00 C ATOM 399 O HIS A 26 -5.903 5.032 7.996 1.00 10.00 O ATOM 400 CB HIS A 26 -4.523 3.115 9.427 1.00 10.00 C ATOM 401 CG HIS A 26 -3.653 2.013 9.994 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.995 1.140 11.004 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.365 1.722 9.623 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.941 0.330 11.215 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.926 0.642 10.393 1.00 10.00 N ATOM 0 H HIS A 26 -5.416 0.945 7.189 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.290 2.124 8.809 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.875 3.900 9.036 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -5.099 3.553 10.242 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.791 2.238 8.868 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.915 -0.464 11.947 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -1.017 0.183 10.341 1.00 10.00 H new ATOM 413 N TYR A 27 -6.980 3.636 6.594 1.00 10.00 N ATOM 414 CA TYR A 27 -7.725 4.633 5.808 1.00 10.00 C ATOM 415 C TYR A 27 -6.819 5.439 4.861 1.00 10.00 C ATOM 416 O TYR A 27 -7.168 5.723 3.716 1.00 10.00 O ATOM 417 CB TYR A 27 -8.536 5.571 6.715 1.00 10.00 C ATOM 418 CG TYR A 27 -9.975 5.803 6.320 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.978 4.960 6.826 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.325 6.973 5.622 1.00 10.00 C ATOM 421 CE1 TYR A 27 -12.331 5.312 6.679 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.676 7.322 5.473 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.678 6.507 6.025 1.00 10.00 C ATOM 424 OH TYR A 27 -13.972 6.932 6.027 1.00 10.00 O ATOM 0 H TYR A 27 -7.157 2.684 6.275 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.421 4.072 5.184 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.520 5.167 7.727 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.030 6.536 6.749 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.710 4.042 7.328 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -9.555 7.602 5.201 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.103 4.665 7.068 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -11.946 8.218 4.933 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.010 7.866 5.731 1.00 10.00 H new ATOM 434 N LYS A 28 -5.652 5.828 5.361 1.00 10.00 N ATOM 435 CA LYS A 28 -4.555 6.423 4.623 1.00 10.00 C ATOM 436 C LYS A 28 -4.201 5.528 3.416 1.00 10.00 C ATOM 437 O LYS A 28 -4.378 4.311 3.498 1.00 10.00 O ATOM 438 CB LYS A 28 -3.423 6.561 5.655 1.00 10.00 C ATOM 439 CG LYS A 28 -2.259 7.468 5.254 1.00 10.00 C ATOM 440 CD LYS A 28 -2.578 8.955 5.471 1.00 10.00 C ATOM 441 CE LYS A 28 -2.561 9.386 6.947 1.00 10.00 C ATOM 442 NZ LYS A 28 -3.160 10.725 7.119 1.00 10.00 N ATOM 0 H LYS A 28 -5.438 5.728 6.353 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.781 7.398 4.192 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.849 6.939 6.584 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.028 5.568 5.867 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -1.376 7.200 5.834 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.015 7.300 4.205 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -1.856 9.556 4.919 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.560 9.171 5.051 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.109 8.660 7.547 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -1.535 9.394 7.315 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.538 10.815 8.084 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.434 11.453 6.962 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.931 10.851 6.432 1.00 10.00 H new ATOM 456 N VAL A 29 -3.719 6.112 2.306 1.00 10.00 N ATOM 457 CA VAL A 29 -3.345 5.409 1.076 1.00 10.00 C ATOM 458 C VAL A 29 -1.854 5.564 0.782 1.00 10.00 C ATOM 459 O VAL A 29 -1.253 6.616 1.021 1.00 10.00 O ATOM 460 CB VAL A 29 -4.198 5.828 -0.134 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.702 5.243 -1.468 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.619 5.297 0.020 1.00 10.00 C ATOM 0 H VAL A 29 -3.576 7.120 2.242 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.551 4.353 1.249 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.138 6.916 -0.156 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.350 5.580 -2.277 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.682 5.579 -1.656 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.721 4.154 -1.417 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.215 5.599 -0.841 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.596 4.209 0.083 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.063 5.703 0.929 1.00 10.00 H new ATOM 472 N TYR A 30 -1.294 4.471 0.258 1.00 10.00 N ATOM 473 CA TYR A 30 0.120 4.172 0.154 1.00 10.00 C ATOM 474 C TYR A 30 0.398 3.698 -1.267 1.00 10.00 C ATOM 475 O TYR A 30 -0.313 2.805 -1.727 1.00 10.00 O ATOM 476 CB TYR A 30 0.389 3.034 1.146 1.00 10.00 C ATOM 477 CG TYR A 30 0.148 3.451 2.580 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.165 3.418 3.069 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.159 4.045 3.361 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.459 3.960 4.322 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.870 4.478 4.672 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.433 4.368 5.174 1.00 10.00 C ATOM 483 OH TYR A 30 -0.698 4.551 6.498 1.00 10.00 O ATOM 0 H TYR A 30 -1.867 3.722 -0.131 1.00 10.00 H new ATOM 0 HA TYR A 30 0.750 5.035 0.372 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.252 2.186 0.904 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.420 2.696 1.037 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.950 2.973 2.476 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.153 4.169 2.957 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.488 4.064 4.633 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.653 4.894 5.288 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.529 4.087 6.733 1.00 10.00 H new ATOM 493 N ASP A 31 1.404 4.268 -1.940 1.00 10.00 N ATOM 494 CA ASP A 31 1.923 3.761 -3.212 1.00 10.00 C ATOM 495 C ASP A 31 3.200 3.002 -2.921 1.00 10.00 C ATOM 496 O ASP A 31 4.045 3.531 -2.197 1.00 10.00 O ATOM 497 CB ASP A 31 2.292 4.905 -4.155 1.00 10.00 C ATOM 498 CG ASP A 31 2.498 4.426 -5.585 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.355 3.537 -5.784 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.759 4.928 -6.466 1.00 10.00 O ATOM 0 H ASP A 31 1.886 5.105 -1.611 1.00 10.00 H new ATOM 0 HA ASP A 31 1.158 3.139 -3.677 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.504 5.658 -4.136 1.00 10.00 H new ATOM 0 HB3 ASP A 31 3.203 5.387 -3.800 1.00 10.00 H new ATOM 505 N LEU A 32 3.352 1.800 -3.473 1.00 10.00 N ATOM 506 CA LEU A 32 4.567 1.027 -3.284 1.00 10.00 C ATOM 507 C LEU A 32 5.348 0.764 -4.570 1.00 10.00 C ATOM 508 O LEU A 32 6.314 0.018 -4.505 1.00 10.00 O ATOM 509 CB LEU A 32 4.246 -0.328 -2.645 1.00 10.00 C ATOM 510 CG LEU A 32 3.566 -0.299 -1.272 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.631 -1.688 -0.630 1.00 10.00 C ATOM 512 CD2 LEU A 32 4.124 0.677 -0.244 1.00 10.00 C ATOM 0 H LEU A 32 2.647 1.345 -4.053 1.00 10.00 H new ATOM 0 HA LEU A 32 5.192 1.640 -2.635 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.606 -0.884 -3.330 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.176 -0.889 -2.552 1.00 10.00 H new ATOM 0 HG LEU A 32 2.557 0.039 -1.507 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.146 -1.661 0.346 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.121 -2.408 -1.269 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.673 -1.985 -0.509 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.554 0.596 0.681 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.170 0.440 -0.048 1.00 10.00 H new ATOM 0 HD23 LEU A 32 4.049 1.694 -0.629 1.00 10.00 H new ATOM 524 N THR A 33 4.969 1.318 -5.719 1.00 10.00 N ATOM 525 CA THR A 33 5.548 0.982 -7.033 1.00 10.00 C ATOM 526 C THR A 33 7.057 0.721 -7.011 1.00 10.00 C ATOM 527 O THR A 33 7.498 -0.371 -7.345 1.00 10.00 O ATOM 528 CB THR A 33 5.301 2.122 -8.028 1.00 10.00 C ATOM 529 OG1 THR A 33 5.458 3.375 -7.389 1.00 10.00 O ATOM 530 CG2 THR A 33 3.905 1.994 -8.608 1.00 10.00 C ATOM 0 H THR A 33 4.238 2.027 -5.772 1.00 10.00 H new ATOM 0 HA THR A 33 5.050 0.058 -7.329 1.00 10.00 H new ATOM 0 HB THR A 33 6.030 2.057 -8.836 1.00 10.00 H new ATOM 0 HG1 THR A 33 4.611 3.639 -6.973 1.00 10.00 H new ATOM 0 HG21 THR A 33 3.729 2.804 -9.315 1.00 10.00 H new ATOM 0 HG22 THR A 33 3.811 1.037 -9.122 1.00 10.00 H new ATOM 0 HG23 THR A 33 3.171 2.048 -7.804 1.00 10.00 H new ATOM 538 N LYS A 34 7.864 1.717 -6.645 1.00 10.00 N ATOM 539 CA LYS A 34 9.307 1.508 -6.593 1.00 10.00 C ATOM 540 C LYS A 34 9.667 0.510 -5.486 1.00 10.00 C ATOM 541 O LYS A 34 10.622 -0.247 -5.599 1.00 10.00 O ATOM 542 CB LYS A 34 10.042 2.842 -6.409 1.00 10.00 C ATOM 543 CG LYS A 34 11.540 2.630 -6.670 1.00 10.00 C ATOM 544 CD LYS A 34 12.354 3.909 -6.475 1.00 10.00 C ATOM 545 CE LYS A 34 13.831 3.565 -6.715 1.00 10.00 C ATOM 546 NZ LYS A 34 14.711 4.737 -6.551 1.00 10.00 N ATOM 0 H LYS A 34 7.552 2.653 -6.387 1.00 10.00 H new ATOM 0 HA LYS A 34 9.631 1.082 -7.542 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.643 3.589 -7.095 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.886 3.221 -5.399 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.917 1.857 -6.000 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.680 2.265 -7.688 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.024 4.682 -7.169 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.212 4.303 -5.469 1.00 10.00 H new ATOM 0 HE2 LYS A 34 14.137 2.783 -6.020 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.949 3.162 -7.721 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 15.698 4.457 -6.723 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.437 5.475 -7.231 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 14.619 5.107 -5.583 1.00 10.00 H new ATOM 560 N PHE A 35 8.907 0.505 -4.393 1.00 10.00 N ATOM 561 CA PHE A 35 9.188 -0.340 -3.246 1.00 10.00 C ATOM 562 C PHE A 35 8.961 -1.806 -3.585 1.00 10.00 C ATOM 563 O PHE A 35 9.602 -2.669 -3.003 1.00 10.00 O ATOM 564 CB PHE A 35 8.327 0.080 -2.050 1.00 10.00 C ATOM 565 CG PHE A 35 8.781 -0.544 -0.752 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.085 -0.322 -0.266 1.00 10.00 C ATOM 567 CD2 PHE A 35 7.917 -1.410 -0.064 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.528 -0.989 0.886 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.360 -2.068 1.089 1.00 10.00 C ATOM 570 CZ PHE A 35 9.679 -1.894 1.541 1.00 10.00 C ATOM 0 H PHE A 35 8.079 1.090 -4.283 1.00 10.00 H new ATOM 0 HA PHE A 35 10.237 -0.215 -2.977 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.352 1.165 -1.954 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.290 -0.199 -2.239 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.744 0.362 -0.781 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.911 -1.568 -0.424 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.521 -0.806 1.268 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.685 -2.712 1.634 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.039 -2.456 2.391 1.00 10.00 H new ATOM 580 N LEU A 36 8.083 -2.096 -4.546 1.00 10.00 N ATOM 581 CA LEU A 36 7.908 -3.422 -5.123 1.00 10.00 C ATOM 582 C LEU A 36 9.258 -4.101 -5.406 1.00 10.00 C ATOM 583 O LEU A 36 9.422 -5.289 -5.136 1.00 10.00 O ATOM 584 CB LEU A 36 7.095 -3.292 -6.417 1.00 10.00 C ATOM 585 CG LEU A 36 5.694 -2.693 -6.266 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.924 -2.897 -7.574 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.921 -3.259 -5.073 1.00 10.00 C ATOM 0 H LEU A 36 7.461 -1.397 -4.952 1.00 10.00 H new ATOM 0 HA LEU A 36 7.377 -4.049 -4.407 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.659 -2.677 -7.118 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.000 -4.281 -6.865 1.00 10.00 H new ATOM 0 HG LEU A 36 5.805 -1.628 -6.060 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.924 -2.474 -7.477 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.451 -2.400 -8.388 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.848 -3.963 -7.789 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.937 -2.793 -5.023 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.807 -4.336 -5.192 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.468 -3.051 -4.153 1.00 10.00 H new ATOM 599 N GLU A 37 10.220 -3.334 -5.924 1.00 10.00 N ATOM 600 CA GLU A 37 11.594 -3.766 -6.164 1.00 10.00 C ATOM 601 C GLU A 37 12.270 -4.291 -4.887 1.00 10.00 C ATOM 602 O GLU A 37 13.042 -5.246 -4.930 1.00 10.00 O ATOM 603 CB GLU A 37 12.406 -2.572 -6.691 1.00 10.00 C ATOM 604 CG GLU A 37 11.869 -1.969 -8.001 1.00 10.00 C ATOM 605 CD GLU A 37 12.568 -0.655 -8.351 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.757 -0.510 -7.989 1.00 10.00 O ATOM 607 OE2 GLU A 37 11.899 0.197 -8.976 1.00 10.00 O ATOM 0 H GLU A 37 10.056 -2.365 -6.196 1.00 10.00 H new ATOM 0 HA GLU A 37 11.564 -4.579 -6.889 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.424 -1.794 -5.927 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.437 -2.889 -6.847 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.009 -2.682 -8.813 1.00 10.00 H new ATOM 0 HG3 GLU A 37 10.797 -1.797 -7.909 1.00 10.00 H new ATOM 614 N GLU A 38 12.036 -3.599 -3.771 1.00 10.00 N ATOM 615 CA GLU A 38 12.793 -3.681 -2.531 1.00 10.00 C ATOM 616 C GLU A 38 12.153 -4.672 -1.552 1.00 10.00 C ATOM 617 O GLU A 38 12.847 -5.422 -0.868 1.00 10.00 O ATOM 618 CB GLU A 38 12.811 -2.266 -1.931 1.00 10.00 C ATOM 619 CG GLU A 38 13.885 -2.055 -0.858 1.00 10.00 C ATOM 620 CD GLU A 38 13.810 -0.649 -0.270 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.461 0.279 -1.033 1.00 10.00 O ATOM 622 OE2 GLU A 38 14.073 -0.531 0.946 1.00 10.00 O ATOM 0 H GLU A 38 11.269 -2.930 -3.710 1.00 10.00 H new ATOM 0 HA GLU A 38 13.803 -4.042 -2.724 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.967 -1.545 -2.733 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.833 -2.054 -1.498 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.759 -2.791 -0.064 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.872 -2.219 -1.291 1.00 10.00 H new ATOM 629 N HIS A 39 10.823 -4.614 -1.450 1.00 10.00 N ATOM 630 CA HIS A 39 10.007 -5.216 -0.410 1.00 10.00 C ATOM 631 C HIS A 39 10.421 -6.660 -0.100 1.00 10.00 C ATOM 632 O HIS A 39 10.206 -7.536 -0.936 1.00 10.00 O ATOM 633 CB HIS A 39 8.532 -5.155 -0.838 1.00 10.00 C ATOM 634 CG HIS A 39 7.585 -5.730 0.189 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.534 -6.582 -0.057 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.561 -5.433 1.523 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.871 -6.750 1.101 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.455 -6.063 2.100 1.00 10.00 N ATOM 0 H HIS A 39 10.259 -4.113 -2.137 1.00 10.00 H new ATOM 0 HA HIS A 39 10.156 -4.650 0.510 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.260 -4.117 -1.031 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.411 -5.696 -1.776 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.300 -7.008 -0.954 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.277 -4.815 2.044 1.00 10.00 H new ATOM 0 HE1 HIS A 39 4.985 -7.357 1.214 1.00 10.00 H new ATOM 646 N PRO A 40 10.936 -6.945 1.109 1.00 10.00 N ATOM 647 CA PRO A 40 11.237 -8.295 1.571 1.00 10.00 C ATOM 648 C PRO A 40 10.092 -9.297 1.367 1.00 10.00 C ATOM 649 O PRO A 40 10.345 -10.473 1.120 1.00 10.00 O ATOM 650 CB PRO A 40 11.663 -8.141 3.040 1.00 10.00 C ATOM 651 CG PRO A 40 12.319 -6.760 3.023 1.00 10.00 C ATOM 652 CD PRO A 40 11.404 -5.975 2.087 1.00 10.00 C ATOM 0 HA PRO A 40 12.035 -8.736 0.973 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.813 -8.183 3.720 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.358 -8.922 3.350 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.359 -6.317 4.018 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.343 -6.801 2.651 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.571 -5.531 2.632 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.941 -5.158 1.605 1.00 10.00 H new ATOM 660 N GLY A 41 8.833 -8.850 1.441 1.00 10.00 N ATOM 661 CA GLY A 41 7.679 -9.709 1.202 1.00 10.00 C ATOM 662 C GLY A 41 7.399 -10.004 -0.275 1.00 10.00 C ATOM 663 O GLY A 41 6.528 -10.818 -0.572 1.00 10.00 O ATOM 0 H GLY A 41 8.591 -7.885 1.668 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.831 -10.653 1.725 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.797 -9.241 1.639 1.00 10.00 H new ATOM 667 N GLY A 42 8.093 -9.343 -1.206 1.00 10.00 N ATOM 668 CA GLY A 42 7.868 -9.499 -2.637 1.00 10.00 C ATOM 669 C GLY A 42 6.665 -8.684 -3.117 1.00 10.00 C ATOM 670 O GLY A 42 5.917 -8.126 -2.312 1.00 10.00 O ATOM 0 H GLY A 42 8.833 -8.679 -0.980 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.759 -9.186 -3.181 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.708 -10.552 -2.867 1.00 10.00 H new ATOM 674 N GLU A 43 6.497 -8.590 -4.441 1.00 10.00 N ATOM 675 CA GLU A 43 5.445 -7.800 -5.071 1.00 10.00 C ATOM 676 C GLU A 43 4.118 -8.577 -5.092 1.00 10.00 C ATOM 677 O GLU A 43 3.088 -8.029 -4.712 1.00 10.00 O ATOM 678 CB GLU A 43 5.962 -7.248 -6.418 1.00 10.00 C ATOM 679 CG GLU A 43 4.976 -6.430 -7.252 1.00 10.00 C ATOM 680 CD GLU A 43 4.232 -7.223 -8.312 1.00 10.00 C ATOM 681 OE1 GLU A 43 3.204 -7.836 -7.963 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.590 -7.105 -9.508 1.00 10.00 O ATOM 0 H GLU A 43 7.099 -9.069 -5.110 1.00 10.00 H new ATOM 0 HA GLU A 43 5.197 -6.913 -4.488 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.835 -6.627 -6.218 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.302 -8.089 -7.022 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.248 -5.971 -6.583 1.00 10.00 H new ATOM 0 HG3 GLU A 43 5.518 -5.619 -7.738 1.00 10.00 H new ATOM 689 N GLU A 44 4.137 -9.869 -5.431 1.00 10.00 N ATOM 690 CA GLU A 44 2.939 -10.696 -5.582 1.00 10.00 C ATOM 691 C GLU A 44 1.915 -10.525 -4.441 1.00 10.00 C ATOM 692 O GLU A 44 0.762 -10.169 -4.675 1.00 10.00 O ATOM 693 CB GLU A 44 3.352 -12.167 -5.732 1.00 10.00 C ATOM 694 CG GLU A 44 4.255 -12.399 -6.952 1.00 10.00 C ATOM 695 CD GLU A 44 4.578 -13.878 -7.107 1.00 10.00 C ATOM 696 OE1 GLU A 44 5.377 -14.364 -6.278 1.00 10.00 O ATOM 697 OE2 GLU A 44 4.013 -14.493 -8.037 1.00 10.00 O ATOM 0 H GLU A 44 5.002 -10.378 -5.611 1.00 10.00 H new ATOM 0 HA GLU A 44 2.427 -10.355 -6.482 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.874 -12.489 -4.831 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.459 -12.785 -5.821 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.760 -12.033 -7.852 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.178 -11.830 -6.842 1.00 10.00 H new ATOM 704 N VAL A 45 2.328 -10.767 -3.195 1.00 10.00 N ATOM 705 CA VAL A 45 1.449 -10.664 -2.029 1.00 10.00 C ATOM 706 C VAL A 45 1.046 -9.209 -1.758 1.00 10.00 C ATOM 707 O VAL A 45 0.004 -8.964 -1.155 1.00 10.00 O ATOM 708 CB VAL A 45 2.154 -11.309 -0.818 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.320 -10.454 -0.299 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.176 -11.597 0.325 1.00 10.00 C ATOM 0 H VAL A 45 3.284 -11.040 -2.966 1.00 10.00 H new ATOM 0 HA VAL A 45 0.521 -11.201 -2.222 1.00 10.00 H new ATOM 0 HB VAL A 45 2.559 -12.255 -1.178 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.784 -10.950 0.553 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.058 -10.327 -1.091 1.00 10.00 H new ATOM 0 HG13 VAL A 45 2.946 -9.478 0.009 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.713 -12.051 1.158 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.717 -10.665 0.654 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.401 -12.280 -0.023 1.00 10.00 H new ATOM 720 N LEU A 46 1.822 -8.217 -2.214 1.00 10.00 N ATOM 721 CA LEU A 46 1.309 -6.856 -2.221 1.00 10.00 C ATOM 722 C LEU A 46 0.173 -6.793 -3.235 1.00 10.00 C ATOM 723 O LEU A 46 -0.918 -6.355 -2.900 1.00 10.00 O ATOM 724 CB LEU A 46 2.390 -5.811 -2.542 1.00 10.00 C ATOM 725 CG LEU A 46 3.515 -5.744 -1.501 1.00 10.00 C ATOM 726 CD1 LEU A 46 4.611 -4.803 -2.014 1.00 10.00 C ATOM 727 CD2 LEU A 46 2.978 -5.250 -0.155 1.00 10.00 C ATOM 0 H LEU A 46 2.771 -8.330 -2.569 1.00 10.00 H new ATOM 0 HA LEU A 46 0.952 -6.609 -1.221 1.00 10.00 H new ATOM 0 HB2 LEU A 46 2.823 -6.037 -3.517 1.00 10.00 H new ATOM 0 HB3 LEU A 46 1.922 -4.830 -2.621 1.00 10.00 H new ATOM 0 HG LEU A 46 3.927 -6.742 -1.351 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.416 -4.748 -1.281 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.004 -5.182 -2.957 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.193 -3.808 -2.169 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.792 -5.210 0.569 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.551 -4.254 -0.277 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.208 -5.934 0.202 1.00 10.00 H new ATOM 739 N ARG A 47 0.419 -7.259 -4.460 1.00 10.00 N ATOM 740 CA ARG A 47 -0.487 -7.170 -5.598 1.00 10.00 C ATOM 741 C ARG A 47 -1.857 -7.730 -5.245 1.00 10.00 C ATOM 742 O ARG A 47 -2.877 -7.078 -5.450 1.00 10.00 O ATOM 743 CB ARG A 47 0.121 -7.947 -6.771 1.00 10.00 C ATOM 744 CG ARG A 47 -0.427 -7.520 -8.129 1.00 10.00 C ATOM 745 CD ARG A 47 0.016 -6.092 -8.460 1.00 10.00 C ATOM 746 NE ARG A 47 0.076 -5.878 -9.909 1.00 10.00 N ATOM 747 CZ ARG A 47 1.124 -6.243 -10.668 1.00 10.00 C ATOM 748 NH1 ARG A 47 2.084 -7.008 -10.150 1.00 10.00 N ATOM 749 NH2 ARG A 47 1.215 -5.849 -11.941 1.00 10.00 N ATOM 0 H ARG A 47 1.294 -7.729 -4.693 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.619 -6.124 -5.875 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.203 -7.812 -6.765 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.068 -9.011 -6.629 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.076 -8.204 -8.901 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.515 -7.577 -8.123 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -0.678 -5.380 -8.013 1.00 10.00 H new ATOM 0 HD3 ARG A 47 0.995 -5.901 -8.021 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.718 -5.429 -10.365 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.023 -7.316 -9.179 1.00 10.00 H new ATOM 0 HH12 ARG A 47 2.880 -7.286 -10.724 1.00 10.00 H new ATOM 0 HH21 ARG A 47 0.484 -5.265 -12.347 1.00 10.00 H new ATOM 0 HH22 ARG A 47 2.015 -6.132 -12.507 1.00 10.00 H new ATOM 763 N GLU A 48 -1.836 -8.943 -4.696 1.00 10.00 N ATOM 764 CA GLU A 48 -2.952 -9.652 -4.097 1.00 10.00 C ATOM 765 C GLU A 48 -3.869 -8.706 -3.305 1.00 10.00 C ATOM 766 O GLU A 48 -5.088 -8.738 -3.456 1.00 10.00 O ATOM 767 CB GLU A 48 -2.313 -10.716 -3.197 1.00 10.00 C ATOM 768 CG GLU A 48 -3.297 -11.550 -2.374 1.00 10.00 C ATOM 769 CD GLU A 48 -2.546 -12.355 -1.326 1.00 10.00 C ATOM 770 OE1 GLU A 48 -1.961 -13.389 -1.708 1.00 10.00 O ATOM 771 OE2 GLU A 48 -2.555 -11.891 -0.165 1.00 10.00 O ATOM 0 H GLU A 48 -0.976 -9.490 -4.658 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.597 -10.101 -4.852 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.723 -11.389 -3.820 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.620 -10.223 -2.515 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -4.024 -10.898 -1.891 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.855 -12.220 -3.028 1.00 10.00 H new ATOM 778 N GLN A 49 -3.270 -7.890 -2.435 1.00 10.00 N ATOM 779 CA GLN A 49 -3.966 -7.031 -1.486 1.00 10.00 C ATOM 780 C GLN A 49 -4.237 -5.638 -2.083 1.00 10.00 C ATOM 781 O GLN A 49 -5.185 -4.954 -1.701 1.00 10.00 O ATOM 782 CB GLN A 49 -3.074 -6.898 -0.246 1.00 10.00 C ATOM 783 CG GLN A 49 -2.678 -8.235 0.412 1.00 10.00 C ATOM 784 CD GLN A 49 -3.777 -8.828 1.285 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.307 -8.156 2.167 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.081 -10.112 1.135 1.00 10.00 N ATOM 0 H GLN A 49 -2.255 -7.809 -2.373 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.931 -7.470 -1.234 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.166 -6.363 -0.525 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.591 -6.285 0.492 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.416 -8.951 -0.367 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.785 -8.083 1.018 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -3.634 -10.659 0.399 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.761 -10.551 1.756 1.00 10.00 H new ATOM 795 N ALA A 50 -3.343 -5.200 -2.968 1.00 10.00 N ATOM 796 CA ALA A 50 -3.247 -3.860 -3.518 1.00 10.00 C ATOM 797 C ALA A 50 -4.444 -3.519 -4.400 1.00 10.00 C ATOM 798 O ALA A 50 -5.160 -4.384 -4.904 1.00 10.00 O ATOM 799 CB ALA A 50 -1.974 -3.759 -4.352 1.00 10.00 C ATOM 0 H ALA A 50 -2.621 -5.817 -3.341 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.229 -3.155 -2.687 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.892 -2.756 -4.770 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.109 -3.961 -3.721 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -2.011 -4.488 -5.162 1.00 10.00 H new ATOM 805 N GLY A 51 -4.655 -2.219 -4.595 1.00 10.00 N ATOM 806 CA GLY A 51 -5.961 -1.695 -4.919 1.00 10.00 C ATOM 807 C GLY A 51 -6.958 -2.234 -3.923 1.00 10.00 C ATOM 808 O GLY A 51 -8.036 -2.706 -4.278 1.00 10.00 O ATOM 0 H GLY A 51 -3.924 -1.511 -4.531 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -5.949 -0.605 -4.890 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.244 -1.984 -5.931 1.00 10.00 H new ATOM 812 N GLY A 52 -6.584 -2.119 -2.648 1.00 10.00 N ATOM 813 CA GLY A 52 -7.445 -2.537 -1.590 1.00 10.00 C ATOM 814 C GLY A 52 -6.744 -2.306 -0.263 1.00 10.00 C ATOM 815 O GLY A 52 -5.628 -1.790 -0.176 1.00 10.00 O ATOM 0 H GLY A 52 -5.688 -1.738 -2.344 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.381 -1.979 -1.624 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.698 -3.591 -1.704 1.00 10.00 H new ATOM 819 N ASP A 53 -7.488 -2.669 0.762 1.00 10.00 N ATOM 820 CA ASP A 53 -7.146 -2.553 2.169 1.00 10.00 C ATOM 821 C ASP A 53 -6.205 -3.684 2.583 1.00 10.00 C ATOM 822 O ASP A 53 -6.547 -4.853 2.414 1.00 10.00 O ATOM 823 CB ASP A 53 -8.436 -2.567 3.005 1.00 10.00 C ATOM 824 CG ASP A 53 -8.197 -2.352 4.495 1.00 10.00 C ATOM 825 OD1 ASP A 53 -7.016 -2.285 4.901 1.00 10.00 O ATOM 826 OD2 ASP A 53 -9.204 -2.237 5.220 1.00 10.00 O ATOM 0 H ASP A 53 -8.411 -3.081 0.627 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.625 -1.612 2.344 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.107 -1.791 2.637 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.943 -3.521 2.860 1.00 10.00 H new ATOM 831 N ALA A 54 -5.032 -3.337 3.124 1.00 10.00 N ATOM 832 CA ALA A 54 -4.143 -4.302 3.770 1.00 10.00 C ATOM 833 C ALA A 54 -3.779 -3.891 5.203 1.00 10.00 C ATOM 834 O ALA A 54 -2.690 -4.210 5.683 1.00 10.00 O ATOM 835 CB ALA A 54 -2.900 -4.489 2.902 1.00 10.00 C ATOM 0 H ALA A 54 -4.675 -2.381 3.125 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.667 -5.254 3.860 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.230 -5.207 3.375 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.194 -4.860 1.920 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.387 -3.534 2.790 1.00 10.00 H new ATOM 841 N THR A 55 -4.673 -3.185 5.900 1.00 10.00 N ATOM 842 CA THR A 55 -4.385 -2.603 7.205 1.00 10.00 C ATOM 843 C THR A 55 -4.005 -3.667 8.243 1.00 10.00 C ATOM 844 O THR A 55 -2.882 -3.667 8.758 1.00 10.00 O ATOM 845 CB THR A 55 -5.561 -1.729 7.677 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.889 -0.756 6.705 1.00 10.00 O ATOM 847 CG2 THR A 55 -5.141 -0.970 8.930 1.00 10.00 C ATOM 0 H THR A 55 -5.621 -3.002 5.570 1.00 10.00 H new ATOM 0 HA THR A 55 -3.511 -1.960 7.097 1.00 10.00 H new ATOM 0 HB THR A 55 -6.414 -2.382 7.859 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.197 -1.201 5.888 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.968 -0.348 9.273 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.873 -1.680 9.713 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.282 -0.339 8.702 1.00 10.00 H new ATOM 855 N GLU A 56 -4.944 -4.571 8.555 1.00 10.00 N ATOM 856 CA GLU A 56 -4.721 -5.633 9.512 1.00 10.00 C ATOM 857 C GLU A 56 -3.474 -6.386 9.086 1.00 10.00 C ATOM 858 O GLU A 56 -2.547 -6.517 9.866 1.00 10.00 O ATOM 859 CB GLU A 56 -5.948 -6.552 9.573 1.00 10.00 C ATOM 860 CG GLU A 56 -7.214 -5.784 9.978 1.00 10.00 C ATOM 861 CD GLU A 56 -8.393 -6.728 10.185 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.554 -7.625 9.330 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.104 -6.535 11.193 1.00 10.00 O ATOM 0 H GLU A 56 -5.877 -4.576 8.143 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.574 -5.232 10.515 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.101 -7.019 8.600 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.766 -7.355 10.287 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -7.026 -5.227 10.896 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.461 -5.054 9.207 1.00 10.00 H new ATOM 870 N ASN A 57 -3.429 -6.803 7.821 1.00 10.00 N ATOM 871 CA ASN A 57 -2.323 -7.549 7.234 1.00 10.00 C ATOM 872 C ASN A 57 -0.957 -6.902 7.527 1.00 10.00 C ATOM 873 O ASN A 57 0.005 -7.572 7.909 1.00 10.00 O ATOM 874 CB ASN A 57 -2.589 -7.692 5.728 1.00 10.00 C ATOM 875 CG ASN A 57 -2.024 -8.987 5.164 1.00 10.00 C ATOM 876 OD1 ASN A 57 -1.123 -9.590 5.730 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.579 -9.443 4.046 1.00 10.00 N ATOM 0 H ASN A 57 -4.185 -6.624 7.159 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.270 -8.537 7.690 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.663 -7.657 5.546 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.148 -6.846 5.201 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -2.255 -10.319 3.636 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.329 -8.917 3.597 1.00 10.00 H new ATOM 884 N PHE A 58 -0.869 -5.575 7.375 1.00 10.00 N ATOM 885 CA PHE A 58 0.338 -4.819 7.693 1.00 10.00 C ATOM 886 C PHE A 58 0.742 -5.006 9.161 1.00 10.00 C ATOM 887 O PHE A 58 1.903 -5.315 9.433 1.00 10.00 O ATOM 888 CB PHE A 58 0.142 -3.338 7.327 1.00 10.00 C ATOM 889 CG PHE A 58 1.350 -2.426 7.509 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.583 -2.759 6.916 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.186 -1.154 8.093 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.654 -1.848 6.942 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.252 -0.231 8.096 1.00 10.00 C ATOM 894 CZ PHE A 58 3.486 -0.578 7.516 1.00 10.00 C ATOM 0 H PHE A 58 -1.636 -4.999 7.027 1.00 10.00 H new ATOM 0 HA PHE A 58 1.163 -5.205 7.095 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -0.173 -3.283 6.285 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.677 -2.944 7.929 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.707 -3.720 6.438 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.240 -0.885 8.540 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.608 -2.126 6.519 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.121 0.743 8.544 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.301 0.130 7.512 1.00 10.00 H new ATOM 904 N GLU A 59 -0.191 -4.816 10.103 1.00 10.00 N ATOM 905 CA GLU A 59 0.102 -5.021 11.525 1.00 10.00 C ATOM 906 C GLU A 59 0.426 -6.479 11.836 1.00 10.00 C ATOM 907 O GLU A 59 1.513 -6.780 12.319 1.00 10.00 O ATOM 908 CB GLU A 59 -1.052 -4.517 12.406 1.00 10.00 C ATOM 909 CG GLU A 59 -0.908 -3.029 12.740 1.00 10.00 C ATOM 910 CD GLU A 59 0.137 -2.783 13.831 1.00 10.00 C ATOM 911 OE1 GLU A 59 1.342 -2.852 13.491 1.00 10.00 O ATOM 912 OE2 GLU A 59 -0.281 -2.521 14.975 1.00 10.00 O ATOM 0 H GLU A 59 -1.148 -4.523 9.907 1.00 10.00 H new ATOM 0 HA GLU A 59 0.991 -4.434 11.757 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.999 -4.684 11.894 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.083 -5.095 13.330 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -0.628 -2.481 11.840 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -1.871 -2.636 13.066 1.00 10.00 H new ATOM 919 N ASP A 60 -0.540 -7.353 11.569 1.00 10.00 N ATOM 920 CA ASP A 60 -0.509 -8.809 11.620 1.00 10.00 C ATOM 921 C ASP A 60 0.903 -9.378 11.435 1.00 10.00 C ATOM 922 O ASP A 60 1.430 -10.049 12.321 1.00 10.00 O ATOM 923 CB ASP A 60 -1.458 -9.335 10.534 1.00 10.00 C ATOM 924 CG ASP A 60 -1.386 -10.849 10.427 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.136 -11.515 11.169 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.563 -11.306 9.602 1.00 10.00 O ATOM 0 H ASP A 60 -1.461 -7.022 11.281 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.831 -9.136 12.609 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.480 -9.032 10.763 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.200 -8.887 9.574 1.00 10.00 H new ATOM 931 N HIS A 61 1.525 -9.088 10.289 1.00 10.00 N ATOM 932 CA HIS A 61 2.829 -9.642 9.936 1.00 10.00 C ATOM 933 C HIS A 61 3.971 -9.201 10.866 1.00 10.00 C ATOM 934 O HIS A 61 5.021 -9.839 10.886 1.00 10.00 O ATOM 935 CB HIS A 61 3.143 -9.284 8.483 1.00 10.00 C ATOM 936 CG HIS A 61 2.410 -10.129 7.474 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.215 -10.797 7.644 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.902 -10.477 6.248 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.997 -11.514 6.527 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.001 -11.358 5.646 1.00 10.00 N ATOM 0 H HIS A 61 1.137 -8.463 9.582 1.00 10.00 H new ATOM 0 HA HIS A 61 2.763 -10.723 10.060 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.893 -8.236 8.315 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.215 -9.386 8.317 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.610 -10.755 8.464 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.830 -10.130 5.818 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.129 -12.134 6.359 1.00 10.00 H new ATOM 948 N GLY A 62 3.795 -8.117 11.623 1.00 10.00 N ATOM 949 CA GLY A 62 4.771 -7.627 12.587 1.00 10.00 C ATOM 950 C GLY A 62 5.809 -6.725 11.923 1.00 10.00 C ATOM 951 O GLY A 62 6.990 -6.781 12.256 1.00 10.00 O ATOM 0 H GLY A 62 2.951 -7.546 11.579 1.00 10.00 H new ATOM 0 HA2 GLY A 62 4.260 -7.075 13.376 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.271 -8.471 13.061 1.00 10.00 H new ATOM 955 N HIS A 63 5.359 -5.876 10.995 1.00 10.00 N ATOM 956 CA HIS A 63 6.225 -4.968 10.255 1.00 10.00 C ATOM 957 C HIS A 63 6.970 -4.002 11.189 1.00 10.00 C ATOM 958 O HIS A 63 6.364 -3.456 12.120 1.00 10.00 O ATOM 959 CB HIS A 63 5.378 -4.215 9.226 1.00 10.00 C ATOM 960 CG HIS A 63 5.119 -5.020 7.981 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.021 -5.802 7.710 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.901 -5.006 6.865 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.136 -6.232 6.438 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.267 -5.760 5.874 1.00 10.00 N ATOM 0 H HIS A 63 4.375 -5.803 10.738 1.00 10.00 H new ATOM 0 HA HIS A 63 6.994 -5.545 9.741 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.426 -3.938 9.679 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.883 -3.288 8.955 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.259 -6.017 8.353 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.849 -4.499 6.764 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.420 -6.868 5.938 1.00 10.00 H new ATOM 972 N SER A 64 8.270 -3.796 10.929 1.00 10.00 N ATOM 973 CA SER A 64 9.184 -3.034 11.780 1.00 10.00 C ATOM 974 C SER A 64 9.026 -1.519 11.625 1.00 10.00 C ATOM 975 O SER A 64 8.359 -1.023 10.716 1.00 10.00 O ATOM 976 CB SER A 64 10.639 -3.427 11.480 1.00 10.00 C ATOM 977 OG SER A 64 11.523 -2.834 12.417 1.00 10.00 O ATOM 0 H SER A 64 8.724 -4.168 10.095 1.00 10.00 H new ATOM 0 HA SER A 64 8.927 -3.284 12.810 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.742 -4.512 11.512 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.905 -3.111 10.471 1.00 10.00 H new ATOM 0 HG SER A 64 12.351 -2.570 11.964 1.00 10.00 H new ATOM 983 N THR A 65 9.706 -0.780 12.508 1.00 10.00 N ATOM 984 CA THR A 65 9.791 0.676 12.478 1.00 10.00 C ATOM 985 C THR A 65 10.254 1.152 11.106 1.00 10.00 C ATOM 986 O THR A 65 9.665 2.081 10.566 1.00 10.00 O ATOM 987 CB THR A 65 10.666 1.213 13.621 1.00 10.00 C ATOM 988 OG1 THR A 65 10.727 2.625 13.590 1.00 10.00 O ATOM 989 CG2 THR A 65 12.098 0.664 13.649 1.00 10.00 C ATOM 0 H THR A 65 10.225 -1.194 13.283 1.00 10.00 H new ATOM 0 HA THR A 65 8.795 1.087 12.644 1.00 10.00 H new ATOM 0 HB THR A 65 10.173 0.860 14.527 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.288 2.944 14.327 1.00 10.00 H new ATOM 0 HG21 THR A 65 12.638 1.100 14.489 1.00 10.00 H new ATOM 0 HG22 THR A 65 12.070 -0.420 13.759 1.00 10.00 H new ATOM 0 HG23 THR A 65 12.605 0.922 12.719 1.00 10.00 H new ATOM 997 N ASP A 66 11.256 0.495 10.524 1.00 10.00 N ATOM 998 CA ASP A 66 11.742 0.725 9.172 1.00 10.00 C ATOM 999 C ASP A 66 10.573 0.843 8.181 1.00 10.00 C ATOM 1000 O ASP A 66 10.397 1.861 7.512 1.00 10.00 O ATOM 1001 CB ASP A 66 12.683 -0.435 8.787 1.00 10.00 C ATOM 1002 CG ASP A 66 13.645 -0.843 9.901 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.123 -1.337 10.933 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.861 -0.630 9.725 1.00 10.00 O ATOM 0 H ASP A 66 11.770 -0.243 11.005 1.00 10.00 H new ATOM 0 HA ASP A 66 12.290 1.667 9.133 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.082 -1.299 8.504 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.260 -0.146 7.909 1.00 10.00 H new ATOM 1009 N ALA A 67 9.745 -0.203 8.117 1.00 10.00 N ATOM 1010 CA ALA A 67 8.593 -0.303 7.239 1.00 10.00 C ATOM 1011 C ALA A 67 7.572 0.766 7.611 1.00 10.00 C ATOM 1012 O ALA A 67 6.918 1.356 6.760 1.00 10.00 O ATOM 1013 CB ALA A 67 7.970 -1.694 7.382 1.00 10.00 C ATOM 0 H ALA A 67 9.870 -1.031 8.700 1.00 10.00 H new ATOM 0 HA ALA A 67 8.904 -0.151 6.205 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.104 -1.774 6.725 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.705 -2.452 7.109 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.657 -1.848 8.415 1.00 10.00 H new ATOM 1019 N ARG A 68 7.407 0.989 8.908 1.00 10.00 N ATOM 1020 CA ARG A 68 6.439 1.927 9.441 1.00 10.00 C ATOM 1021 C ARG A 68 6.792 3.354 9.006 1.00 10.00 C ATOM 1022 O ARG A 68 5.992 3.979 8.307 1.00 10.00 O ATOM 1023 CB ARG A 68 6.327 1.693 10.952 1.00 10.00 C ATOM 1024 CG ARG A 68 5.116 0.808 11.284 1.00 10.00 C ATOM 1025 CD ARG A 68 5.362 -0.656 10.876 1.00 10.00 C ATOM 1026 NE ARG A 68 4.114 -1.349 10.551 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.325 -2.014 11.399 1.00 10.00 C ATOM 1028 NH1 ARG A 68 3.781 -2.522 12.543 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.039 -2.157 11.096 1.00 10.00 N ATOM 0 H ARG A 68 7.952 0.514 9.627 1.00 10.00 H new ATOM 0 HA ARG A 68 5.439 1.768 9.036 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.238 1.221 11.319 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.234 2.650 11.466 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.908 0.859 12.353 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.234 1.188 10.769 1.00 10.00 H new ATOM 0 HD2 ARG A 68 6.029 -0.686 10.014 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.867 -1.179 11.688 1.00 10.00 H new ATOM 0 HE ARG A 68 3.816 -1.321 9.576 1.00 10.00 H new ATOM 0 HH11 ARG A 68 4.763 -2.409 12.796 1.00 10.00 H new ATOM 0 HH12 ARG A 68 3.148 -3.024 13.166 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.672 -1.762 10.230 1.00 10.00 H new ATOM 0 HH22 ARG A 68 1.419 -2.661 11.730 1.00 10.00 H new ATOM 1043 N GLU A 69 7.992 3.853 9.335 1.00 10.00 N ATOM 1044 CA GLU A 69 8.570 5.027 8.689 1.00 10.00 C ATOM 1045 C GLU A 69 8.256 5.007 7.189 1.00 10.00 C ATOM 1046 O GLU A 69 7.575 5.905 6.692 1.00 10.00 O ATOM 1047 CB GLU A 69 10.091 5.097 8.934 1.00 10.00 C ATOM 1048 CG GLU A 69 10.605 6.548 8.940 1.00 10.00 C ATOM 1049 CD GLU A 69 10.053 7.382 7.789 1.00 10.00 C ATOM 1050 OE1 GLU A 69 10.367 7.063 6.623 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.251 8.289 8.105 1.00 10.00 O ATOM 0 H GLU A 69 8.586 3.449 10.059 1.00 10.00 H new ATOM 0 HA GLU A 69 8.124 5.921 9.126 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.327 4.624 9.887 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.610 4.531 8.160 1.00 10.00 H new ATOM 0 HG2 GLU A 69 10.334 7.019 9.885 1.00 10.00 H new ATOM 0 HG3 GLU A 69 11.694 6.542 8.887 1.00 10.00 H new ATOM 1058 N LEU A 70 8.687 3.951 6.486 1.00 10.00 N ATOM 1059 CA LEU A 70 8.508 3.887 5.045 1.00 10.00 C ATOM 1060 C LEU A 70 7.060 4.141 4.631 1.00 10.00 C ATOM 1061 O LEU A 70 6.815 4.855 3.664 1.00 10.00 O ATOM 1062 CB LEU A 70 9.023 2.568 4.439 1.00 10.00 C ATOM 1063 CG LEU A 70 10.319 2.678 3.619 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.472 3.992 2.842 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.520 2.474 4.537 1.00 10.00 C ATOM 0 H LEU A 70 9.156 3.142 6.894 1.00 10.00 H new ATOM 0 HA LEU A 70 9.119 4.692 4.638 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.185 1.856 5.248 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.243 2.153 3.800 1.00 10.00 H new ATOM 0 HG LEU A 70 10.266 1.895 2.863 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.414 3.983 2.293 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.644 4.099 2.141 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.467 4.830 3.539 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.439 2.552 3.956 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.517 3.237 5.315 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.463 1.487 4.996 1.00 10.00 H new ATOM 1077 N SER A 71 6.088 3.602 5.366 1.00 10.00 N ATOM 1078 CA SER A 71 4.692 3.799 5.029 1.00 10.00 C ATOM 1079 C SER A 71 4.347 5.281 5.124 1.00 10.00 C ATOM 1080 O SER A 71 3.680 5.803 4.236 1.00 10.00 O ATOM 1081 CB SER A 71 3.794 2.869 5.862 1.00 10.00 C ATOM 1082 OG SER A 71 3.588 3.331 7.180 1.00 10.00 O ATOM 0 H SER A 71 6.248 3.029 6.194 1.00 10.00 H new ATOM 0 HA SER A 71 4.503 3.513 3.994 1.00 10.00 H new ATOM 0 HB2 SER A 71 2.829 2.765 5.365 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.243 1.876 5.898 1.00 10.00 H new ATOM 0 HG SER A 71 4.430 3.681 7.539 1.00 10.00 H new ATOM 1088 N LYS A 72 4.866 5.981 6.138 1.00 10.00 N ATOM 1089 CA LYS A 72 4.670 7.423 6.219 1.00 10.00 C ATOM 1090 C LYS A 72 5.221 8.077 4.953 1.00 10.00 C ATOM 1091 O LYS A 72 4.523 8.814 4.264 1.00 10.00 O ATOM 1092 CB LYS A 72 5.325 8.019 7.473 1.00 10.00 C ATOM 1093 CG LYS A 72 4.972 7.225 8.735 1.00 10.00 C ATOM 1094 CD LYS A 72 5.135 8.036 10.031 1.00 10.00 C ATOM 1095 CE LYS A 72 6.583 8.287 10.488 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.375 9.101 9.543 1.00 10.00 N ATOM 0 H LYS A 72 5.414 5.578 6.898 1.00 10.00 H new ATOM 0 HA LYS A 72 3.601 7.624 6.297 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.407 8.034 7.345 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.004 9.054 7.593 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.942 6.877 8.660 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.605 6.339 8.787 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.644 9.000 9.898 1.00 10.00 H new ATOM 0 HD3 LYS A 72 4.607 7.517 10.831 1.00 10.00 H new ATOM 0 HE2 LYS A 72 6.567 8.786 11.457 1.00 10.00 H new ATOM 0 HE3 LYS A 72 7.080 7.328 10.631 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.996 9.744 10.075 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.953 8.476 8.946 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.734 9.657 8.942 1.00 10.00 H new ATOM 1110 N THR A 73 6.470 7.756 4.631 1.00 10.00 N ATOM 1111 CA THR A 73 7.166 8.234 3.448 1.00 10.00 C ATOM 1112 C THR A 73 6.400 7.893 2.155 1.00 10.00 C ATOM 1113 O THR A 73 6.460 8.657 1.194 1.00 10.00 O ATOM 1114 CB THR A 73 8.611 7.709 3.517 1.00 10.00 C ATOM 1115 OG1 THR A 73 9.245 8.369 4.600 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.437 7.961 2.256 1.00 10.00 C ATOM 0 H THR A 73 7.041 7.137 5.206 1.00 10.00 H new ATOM 0 HA THR A 73 7.211 9.323 3.424 1.00 10.00 H new ATOM 0 HB THR A 73 8.557 6.627 3.635 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.711 7.711 5.157 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.441 7.559 2.392 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.962 7.471 1.406 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.498 9.033 2.069 1.00 10.00 H new ATOM 1124 N PHE A 74 5.656 6.783 2.127 1.00 10.00 N ATOM 1125 CA PHE A 74 4.850 6.367 0.981 1.00 10.00 C ATOM 1126 C PHE A 74 3.419 6.910 1.009 1.00 10.00 C ATOM 1127 O PHE A 74 2.655 6.597 0.094 1.00 10.00 O ATOM 1128 CB PHE A 74 4.792 4.838 0.901 1.00 10.00 C ATOM 1129 CG PHE A 74 6.108 4.094 0.790 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.242 4.676 0.188 1.00 10.00 C ATOM 1131 CD2 PHE A 74 6.157 2.753 1.213 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.437 3.946 0.089 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.334 2.009 1.049 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.491 2.628 0.571 1.00 10.00 C ATOM 0 H PHE A 74 5.598 6.139 2.916 1.00 10.00 H new ATOM 0 HA PHE A 74 5.343 6.786 0.104 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.273 4.474 1.788 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.180 4.569 0.040 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.191 5.684 -0.197 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.288 2.297 1.664 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.312 4.396 -0.356 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.346 0.957 1.292 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.429 2.092 0.572 1.00 10.00 H new ATOM 1144 N ILE A 75 3.023 7.681 2.027 1.00 10.00 N ATOM 1145 CA ILE A 75 1.712 8.336 2.003 1.00 10.00 C ATOM 1146 C ILE A 75 1.524 9.139 0.715 1.00 10.00 C ATOM 1147 O ILE A 75 2.348 9.989 0.384 1.00 10.00 O ATOM 1148 CB ILE A 75 1.480 9.221 3.245 1.00 10.00 C ATOM 1149 CG1 ILE A 75 1.114 8.289 4.401 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.344 10.241 3.046 1.00 10.00 C ATOM 1151 CD1 ILE A 75 1.226 8.949 5.777 1.00 10.00 C ATOM 0 H ILE A 75 3.579 7.864 2.862 1.00 10.00 H new ATOM 0 HA ILE A 75 0.960 7.547 2.028 1.00 10.00 H new ATOM 0 HB ILE A 75 2.387 9.792 3.441 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.094 7.932 4.260 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.764 7.415 4.372 1.00 10.00 H new ATOM 0 HG21 ILE A 75 0.226 10.836 3.952 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.587 10.897 2.210 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.586 9.713 2.835 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.952 8.230 6.549 1.00 10.00 H new ATOM 0 HD12 ILE A 75 2.251 9.281 5.939 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.555 9.806 5.825 1.00 10.00 H new ATOM 1163 N ILE A 76 0.409 8.894 0.020 1.00 10.00 N ATOM 1164 CA ILE A 76 0.041 9.613 -1.199 1.00 10.00 C ATOM 1165 C ILE A 76 -1.383 10.179 -1.144 1.00 10.00 C ATOM 1166 O ILE A 76 -1.745 10.986 -2.003 1.00 10.00 O ATOM 1167 CB ILE A 76 0.189 8.682 -2.415 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.493 7.328 -2.140 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.667 8.495 -2.779 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -0.977 6.615 -3.405 1.00 10.00 C ATOM 0 H ILE A 76 -0.269 8.183 0.293 1.00 10.00 H new ATOM 0 HA ILE A 76 0.719 10.462 -1.291 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.307 9.144 -3.269 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.207 6.679 -1.613 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.342 7.487 -1.476 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.748 7.833 -3.641 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.107 9.462 -3.021 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.197 8.056 -1.934 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.446 5.670 -3.133 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.701 7.244 -3.922 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.129 6.423 -4.062 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.215 9.727 -0.200 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.665 9.837 -0.327 1.00 10.00 C ATOM 1184 C GLY A 77 -4.322 9.290 0.925 1.00 10.00 C ATOM 1185 O GLY A 77 -3.622 8.940 1.875 1.00 10.00 O ATOM 0 H GLY A 77 -1.904 9.280 0.662 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.950 10.878 -0.476 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.008 9.285 -1.202 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.650 9.171 0.875 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.486 8.419 1.793 1.00 10.00 C ATOM 1191 C GLU A 78 -7.653 7.893 0.961 1.00 10.00 C ATOM 1192 O GLU A 78 -7.886 8.438 -0.119 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.029 9.326 2.899 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.966 10.163 3.615 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.361 10.563 5.031 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -7.573 10.595 5.321 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -5.420 10.835 5.811 1.00 10.00 O ATOM 0 H GLU A 78 -6.197 9.628 0.145 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.918 7.619 2.268 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.772 9.997 2.468 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.545 8.710 3.636 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.034 9.599 3.652 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.771 11.063 3.033 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.378 6.881 1.442 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.504 6.297 0.714 1.00 10.00 C ATOM 1206 C LEU A 79 -10.811 7.024 1.026 1.00 10.00 C ATOM 1207 O LEU A 79 -11.136 7.289 2.179 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.511 4.764 0.808 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.299 4.038 1.905 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -10.383 4.684 3.272 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.734 3.768 1.514 1.00 10.00 C ATOM 0 H LEU A 79 -8.200 6.444 2.347 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.378 6.469 -0.355 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -9.877 4.388 -0.148 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.472 4.446 0.899 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.688 3.140 1.994 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.972 4.052 3.937 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -9.379 4.804 3.680 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -10.859 5.661 3.184 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.242 3.252 2.329 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -12.239 4.712 1.311 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.756 3.145 0.620 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.496 7.484 -0.020 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.447 8.565 0.106 1.00 10.00 C ATOM 1225 C HIS A 80 -13.604 8.271 1.047 1.00 10.00 C ATOM 1226 O HIS A 80 -14.267 7.266 0.867 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.943 8.976 -1.277 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.690 10.273 -1.220 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.055 10.456 -1.187 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.098 11.450 -0.871 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.270 11.738 -0.839 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.108 12.382 -0.627 1.00 10.00 N ATOM 0 H HIS A 80 -11.402 7.116 -0.967 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.917 9.397 0.570 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.096 9.070 -1.957 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.591 8.198 -1.680 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.036 11.630 -0.796 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.246 12.190 -0.743 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -13.989 13.355 -0.345 1.00 10.00 H new ATOM 1240 N PRO A 81 -13.946 9.134 2.014 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.814 8.724 3.106 1.00 10.00 C ATOM 1242 C PRO A 81 -16.257 8.430 2.787 1.00 10.00 C ATOM 1243 O PRO A 81 -17.032 8.070 3.670 1.00 10.00 O ATOM 1244 CB PRO A 81 -14.890 9.952 3.996 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.583 10.702 3.750 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.472 10.491 2.248 1.00 10.00 C ATOM 0 HA PRO A 81 -14.390 7.799 3.495 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -15.752 10.569 3.744 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -14.993 9.673 5.045 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -13.643 11.755 4.025 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -12.743 10.277 4.299 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -14.075 11.218 1.703 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.443 10.612 1.909 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.626 8.637 1.541 1.00 10.00 N ATOM 1255 CA ASP A 82 -17.905 8.206 1.042 1.00 10.00 C ATOM 1256 C ASP A 82 -17.989 6.673 1.106 1.00 10.00 C ATOM 1257 O ASP A 82 -19.085 6.123 1.196 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.104 8.754 -0.373 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.527 8.517 -0.853 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.444 8.931 -0.113 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.663 7.968 -1.966 1.00 10.00 O ATOM 0 H ASP A 82 -16.044 9.109 0.849 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.715 8.597 1.658 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -17.884 9.822 -0.388 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.402 8.275 -1.055 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.816 6.020 1.169 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.571 4.607 1.307 1.00 10.00 C ATOM 1268 C ASP A 83 -17.121 4.051 2.636 1.00 10.00 C ATOM 1269 O ASP A 83 -18.304 4.179 2.951 1.00 10.00 O ATOM 1270 CB ASP A 83 -15.034 4.488 1.185 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.598 3.065 0.887 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.363 2.356 1.885 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -14.477 2.741 -0.314 1.00 10.00 O ATOM 0 H ASP A 83 -15.939 6.538 1.118 1.00 10.00 H new ATOM 0 HA ASP A 83 -17.084 4.011 0.553 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.680 5.149 0.394 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.569 4.823 2.112 1.00 10.00 H new ATOM 1278 N ARG A 84 -16.220 3.492 3.437 1.00 10.00 N ATOM 1279 CA ARG A 84 -16.477 2.630 4.588 1.00 10.00 C ATOM 1280 C ARG A 84 -17.480 1.510 4.258 1.00 10.00 C ATOM 1281 O ARG A 84 -18.239 1.137 5.183 1.00 10.00 O ATOM 1282 CB ARG A 84 -16.991 3.443 5.778 1.00 10.00 C ATOM 1283 CG ARG A 84 -16.223 4.725 6.116 1.00 10.00 C ATOM 1284 CD ARG A 84 -17.196 5.766 6.698 1.00 10.00 C ATOM 1285 NE ARG A 84 -17.912 6.478 5.623 1.00 10.00 N ATOM 1286 CZ ARG A 84 -19.040 6.130 4.979 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -19.874 5.198 5.452 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -19.316 6.746 3.831 1.00 10.00 N ATOM 1289 OXT ARG A 84 -17.490 1.044 3.098 1.00 10.00 O ATOM 0 H ARG A 84 -15.221 3.639 3.290 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.525 2.168 4.851 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -18.030 3.709 5.585 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -16.985 2.800 6.658 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -15.432 4.509 6.834 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.742 5.121 5.221 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -17.914 5.272 7.353 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -16.646 6.481 7.310 1.00 10.00 H new ATOM 0 HE ARG A 84 -17.492 7.359 5.326 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -19.664 4.724 6.330 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -20.720 4.961 4.935 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -18.680 7.456 3.468 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -20.163 6.508 3.315 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 5.902 -5.885 4.004 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.463 -7.940 5.067 1.00 10.00 C HETATM 1306 CHB HEM A 201 7.988 -3.126 4.375 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.234 -3.825 3.293 1.00 10.00 C HETATM 1308 CHD HEM A 201 3.938 -8.708 3.357 1.00 10.00 C HETATM 1309 NA HEM A 201 7.835 -5.590 4.595 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.649 -6.576 5.011 1.00 10.00 C HETATM 1311 C2A HEM A 201 9.839 -5.982 5.526 1.00 10.00 C HETATM 1312 C3A HEM A 201 9.815 -4.649 5.184 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.481 -4.386 4.693 1.00 10.00 C HETATM 1314 CMA HEM A 201 10.959 -3.665 5.237 1.00 10.00 C HETATM 1315 CAA HEM A 201 10.730 -6.753 6.470 1.00 10.00 C HETATM 1316 CBA HEM A 201 11.296 -6.029 7.660 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.407 -4.938 8.272 1.00 10.00 C HETATM 1318 O1A HEM A 201 10.800 -3.756 8.173 1.00 10.00 O HETATM 1319 O2A HEM A 201 9.362 -5.285 8.862 1.00 10.00 O HETATM 1320 NB HEM A 201 5.664 -3.849 3.828 1.00 10.00 N HETATM 1321 C1B HEM A 201 6.658 -2.914 3.999 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.091 -1.615 3.722 1.00 10.00 C HETATM 1323 C3B HEM A 201 4.747 -1.821 3.489 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.478 -3.236 3.533 1.00 10.00 C HETATM 1325 CMB HEM A 201 6.836 -0.305 3.765 1.00 10.00 C HETATM 1326 CAB HEM A 201 3.740 -0.801 2.986 1.00 10.00 C HETATM 1327 CBB HEM A 201 3.595 0.422 3.532 1.00 10.00 C HETATM 1328 NC HEM A 201 3.946 -6.204 3.447 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.035 -5.201 3.238 1.00 10.00 C HETATM 1330 C2C HEM A 201 1.773 -5.815 2.911 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.007 -7.166 2.861 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.368 -7.434 3.245 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.477 -5.103 2.628 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.006 -8.202 2.405 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.640 -9.197 3.240 1.00 10.00 C HETATM 1336 ND HEM A 201 6.160 -7.981 4.183 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.241 -8.921 3.822 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.854 -10.217 4.019 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.130 -10.005 4.498 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.306 -8.577 4.622 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.234 -11.568 3.735 1.00 10.00 C HETATM 1342 CAD HEM A 201 8.202 -11.063 4.661 1.00 10.00 C HETATM 1343 CBD HEM A 201 8.451 -11.508 6.108 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.427 -10.580 6.820 1.00 10.00 C HETATM 1345 O1D HEM A 201 9.000 -9.938 7.800 1.00 10.00 O HETATM 1346 O2D HEM A 201 10.578 -10.493 6.338 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.613 -3.912 6.073 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 10.566 -2.657 5.369 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.525 -3.715 4.307 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 6.393 0.389 3.051 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 7.882 -0.472 3.507 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 6.773 0.117 4.768 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -0.119 -5.695 1.933 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 0.686 -4.128 2.188 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -0.076 -4.970 3.558 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 4.154 -11.508 3.868 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.644 -12.308 4.422 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.457 -11.862 2.710 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 2.855 1.114 3.130 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.217 0.719 4.376 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.082 -9.945 2.913 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 1.066 -9.252 4.242 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 12.243 -5.576 7.367 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 11.520 -6.763 8.434 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 11.565 -7.148 5.892 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 10.164 -7.609 6.838 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 8.844 -12.525 6.114 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 7.506 -11.529 6.651 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 9.135 -10.681 4.247 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.924 -11.936 4.070 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.256 -8.548 5.477 1.00 10.00 H new HETATM 0 HHB HEM A 201 8.657 -2.279 4.420 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.382 -3.178 3.142 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.346 -9.565 3.072 1.00 10.00 H new HETATM 0 HAB HEM A 201 3.104 -1.072 2.143 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.580 -8.146 1.403 1.00 10.00 H new