USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 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= -0.372 K(o=-0.62,f=-1.6) USER MOD Set 1.2: A 57 ASN :FLIP amide:sc= -0.246 F(o=-2.6,f=-0.62) USER MOD Set 2.1: A 20 SER OG : rot -152:sc= 0.827 USER MOD Set 2.2: A 33 THR OG1 : rot -110:sc= -0.0874 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 169:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0941 USER MOD Single : A 13 GLN : amide:sc= -0.0724 K(o=-0.072,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0358) USER MOD Single : A 15 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.69) USER MOD Single : A 16 ASN :FLIP amide:sc= -1.1 F(o=-1.9,f=-1.1) USER MOD Single : A 17 ASN : amide:sc= -0.378 K(o=-0.38,f=-1.4) USER MOD Single : A 18 SER OG : rot 55:sc= 0.00335 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-3.8!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -13:sc= 1.08 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0538 USER MOD Single : A 71 SER OG : rot -40:sc= 0.142 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.842 K(o=-0.84,f=-5.1!) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.607 (180deg=-0.607) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -0.876 (180deg=-0.876) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -1.43 (180deg=-1.43) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.048 (180deg=-0.369) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 1.469 -10.433 -18.078 1.00 10.00 N ATOM 2 CA ALA A 3 0.343 -9.562 -18.457 1.00 10.00 C ATOM 3 C ALA A 3 0.252 -8.470 -17.398 1.00 10.00 C ATOM 4 O ALA A 3 0.859 -8.667 -16.347 1.00 10.00 O ATOM 5 CB ALA A 3 0.448 -9.077 -19.909 1.00 10.00 C ATOM 0 HA ALA A 3 -0.604 -10.102 -18.464 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -0.404 -8.438 -20.142 1.00 10.00 H new ATOM 0 HB2 ALA A 3 1.371 -8.512 -20.038 1.00 10.00 H new ATOM 0 HB3 ALA A 3 0.452 -9.936 -20.580 1.00 10.00 H new ATOM 13 N VAL A 4 -0.568 -7.432 -17.592 1.00 10.00 N ATOM 14 CA VAL A 4 -1.306 -6.902 -16.454 1.00 10.00 C ATOM 15 C VAL A 4 -2.135 -8.068 -15.920 1.00 10.00 C ATOM 16 O VAL A 4 -2.648 -8.872 -16.699 1.00 10.00 O ATOM 17 CB VAL A 4 -2.204 -5.723 -16.872 1.00 10.00 C ATOM 18 CG1 VAL A 4 -3.193 -5.323 -15.767 1.00 10.00 C ATOM 19 CG2 VAL A 4 -1.335 -4.527 -17.285 1.00 10.00 C ATOM 0 H VAL A 4 -0.730 -6.964 -18.484 1.00 10.00 H new ATOM 0 HA VAL A 4 -0.634 -6.509 -15.691 1.00 10.00 H new ATOM 0 HB VAL A 4 -2.801 -6.047 -17.725 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -3.803 -4.488 -16.110 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -3.837 -6.170 -15.531 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -2.641 -5.027 -14.875 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -1.976 -3.696 -17.580 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -0.711 -4.223 -16.445 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -0.700 -4.811 -18.124 1.00 10.00 H new ATOM 29 N LYS A 5 -2.221 -8.186 -14.601 1.00 10.00 N ATOM 30 CA LYS A 5 -3.000 -9.207 -13.937 1.00 10.00 C ATOM 31 C LYS A 5 -3.414 -8.610 -12.604 1.00 10.00 C ATOM 32 O LYS A 5 -2.624 -8.547 -11.667 1.00 10.00 O ATOM 33 CB LYS A 5 -2.193 -10.505 -13.814 1.00 10.00 C ATOM 34 CG LYS A 5 -2.950 -11.569 -13.007 1.00 10.00 C ATOM 35 CD LYS A 5 -2.384 -12.963 -13.306 1.00 10.00 C ATOM 36 CE LYS A 5 -2.815 -13.956 -12.217 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.507 -15.356 -12.579 1.00 10.00 N ATOM 0 H LYS A 5 -1.739 -7.559 -13.956 1.00 10.00 H new ATOM 0 HA LYS A 5 -3.890 -9.491 -14.498 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -1.972 -10.892 -14.809 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -1.237 -10.295 -13.334 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.866 -11.355 -11.941 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.011 -11.538 -13.256 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -2.735 -13.305 -14.280 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -1.296 -12.918 -13.357 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.313 -13.706 -11.282 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -3.886 -13.856 -12.041 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.816 -15.989 -11.814 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -3.006 -15.605 -13.457 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.482 -15.460 -12.722 1.00 10.00 H new ATOM 51 N TYR A 6 -4.646 -8.110 -12.574 1.00 10.00 N ATOM 52 CA TYR A 6 -5.255 -7.535 -11.395 1.00 10.00 C ATOM 53 C TYR A 6 -5.236 -8.535 -10.238 1.00 10.00 C ATOM 54 O TYR A 6 -5.142 -9.741 -10.469 1.00 10.00 O ATOM 55 CB TYR A 6 -6.686 -7.135 -11.744 1.00 10.00 C ATOM 56 CG TYR A 6 -6.849 -6.308 -13.002 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.557 -4.941 -12.958 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.316 -6.882 -14.199 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.768 -4.128 -14.083 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.501 -6.077 -15.337 1.00 10.00 C ATOM 61 CZ TYR A 6 -7.245 -4.696 -15.273 1.00 10.00 C ATOM 62 OH TYR A 6 -7.477 -3.896 -16.351 1.00 10.00 O ATOM 0 H TYR A 6 -5.256 -8.097 -13.391 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.694 -6.657 -11.075 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.282 -8.042 -11.848 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.101 -6.575 -10.907 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.165 -4.507 -12.050 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.532 -7.939 -14.244 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.564 -3.069 -14.032 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.840 -6.520 -16.262 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.804 -4.440 -17.098 1.00 10.00 H new ATOM 72 N TYR A 7 -5.347 -8.039 -9.004 1.00 10.00 N ATOM 73 CA TYR A 7 -5.355 -8.875 -7.812 1.00 10.00 C ATOM 74 C TYR A 7 -6.668 -8.659 -7.065 1.00 10.00 C ATOM 75 O TYR A 7 -7.156 -7.532 -6.962 1.00 10.00 O ATOM 76 CB TYR A 7 -4.129 -8.567 -6.947 1.00 10.00 C ATOM 77 CG TYR A 7 -2.813 -8.543 -7.706 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.349 -9.694 -8.370 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.077 -7.348 -7.796 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.119 -9.668 -9.051 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.871 -7.312 -8.510 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.372 -8.478 -9.106 1.00 10.00 C ATOM 83 OH TYR A 7 0.872 -8.466 -9.661 1.00 10.00 O ATOM 0 H TYR A 7 -5.434 -7.042 -8.808 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.292 -9.929 -8.083 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.274 -7.600 -6.465 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.063 -9.312 -6.154 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.939 -10.599 -8.356 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.443 -6.454 -7.313 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.748 -10.561 -9.531 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.326 -6.384 -8.601 1.00 10.00 H new ATOM 0 HH TYR A 7 1.171 -7.540 -9.774 1.00 10.00 H new ATOM 93 N THR A 8 -7.279 -9.753 -6.613 1.00 10.00 N ATOM 94 CA THR A 8 -8.520 -9.755 -5.857 1.00 10.00 C ATOM 95 C THR A 8 -8.216 -9.372 -4.413 1.00 10.00 C ATOM 96 O THR A 8 -7.113 -9.648 -3.931 1.00 10.00 O ATOM 97 CB THR A 8 -9.094 -11.175 -5.910 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.042 -12.079 -5.652 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.660 -11.518 -7.287 1.00 10.00 C ATOM 0 H THR A 8 -6.908 -10.690 -6.771 1.00 10.00 H new ATOM 0 HA THR A 8 -9.236 -9.044 -6.271 1.00 10.00 H new ATOM 0 HB THR A 8 -9.898 -11.241 -5.177 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.385 -12.997 -5.679 1.00 10.00 H new ATOM 0 HG21 THR A 8 -10.055 -12.534 -7.275 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.460 -10.820 -7.536 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.869 -11.445 -8.034 1.00 10.00 H new ATOM 107 N LEU A 9 -9.205 -8.807 -3.712 1.00 10.00 N ATOM 108 CA LEU A 9 -9.059 -8.394 -2.328 1.00 10.00 C ATOM 109 C LEU A 9 -8.429 -9.509 -1.502 1.00 10.00 C ATOM 110 O LEU A 9 -7.523 -9.237 -0.733 1.00 10.00 O ATOM 111 CB LEU A 9 -10.416 -7.974 -1.743 1.00 10.00 C ATOM 112 CG LEU A 9 -10.345 -6.617 -1.017 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.727 -6.221 -0.484 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.350 -6.643 0.151 1.00 10.00 C ATOM 0 H LEU A 9 -10.131 -8.626 -4.099 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.395 -7.530 -2.292 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.153 -7.917 -2.544 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.761 -8.738 -1.047 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.002 -5.884 -1.748 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.659 -5.260 0.026 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.428 -6.142 -1.315 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.078 -6.979 0.216 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.331 -5.666 0.635 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.656 -7.400 0.873 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.355 -6.881 -0.224 1.00 10.00 H new ATOM 126 N GLU A 10 -8.878 -10.755 -1.690 1.00 10.00 N ATOM 127 CA GLU A 10 -8.383 -11.927 -0.974 1.00 10.00 C ATOM 128 C GLU A 10 -6.860 -12.082 -1.088 1.00 10.00 C ATOM 129 O GLU A 10 -6.139 -12.076 -0.089 1.00 10.00 O ATOM 130 CB GLU A 10 -9.102 -13.173 -1.498 1.00 10.00 C ATOM 131 CG GLU A 10 -8.902 -14.375 -0.563 1.00 10.00 C ATOM 132 CD GLU A 10 -9.573 -14.186 0.792 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.789 -13.898 0.787 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.853 -14.335 1.803 1.00 10.00 O ATOM 0 H GLU A 10 -9.613 -10.977 -2.361 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.598 -11.796 0.087 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.167 -12.964 -1.600 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.729 -13.418 -2.492 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.301 -15.271 -1.039 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.835 -14.541 -0.415 1.00 10.00 H new ATOM 141 N GLU A 11 -6.364 -12.234 -2.318 1.00 10.00 N ATOM 142 CA GLU A 11 -4.940 -12.372 -2.581 1.00 10.00 C ATOM 143 C GLU A 11 -4.178 -11.211 -1.948 1.00 10.00 C ATOM 144 O GLU A 11 -3.171 -11.415 -1.275 1.00 10.00 O ATOM 145 CB GLU A 11 -4.668 -12.447 -4.094 1.00 10.00 C ATOM 146 CG GLU A 11 -4.237 -13.851 -4.538 1.00 10.00 C ATOM 147 CD GLU A 11 -5.349 -14.885 -4.416 1.00 10.00 C ATOM 148 OE1 GLU A 11 -5.581 -15.339 -3.274 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.923 -15.217 -5.473 1.00 10.00 O ATOM 0 H GLU A 11 -6.944 -12.264 -3.157 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.591 -13.303 -2.134 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.567 -12.156 -4.638 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.890 -11.730 -4.357 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -3.899 -13.810 -5.574 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.385 -14.170 -3.937 1.00 10.00 H new ATOM 156 N ILE A 12 -4.661 -9.984 -2.148 1.00 10.00 N ATOM 157 CA ILE A 12 -4.028 -8.822 -1.543 1.00 10.00 C ATOM 158 C ILE A 12 -4.049 -8.976 -0.006 1.00 10.00 C ATOM 159 O ILE A 12 -3.039 -8.746 0.656 1.00 10.00 O ATOM 160 CB ILE A 12 -4.716 -7.539 -2.054 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.722 -7.464 -3.599 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.041 -6.270 -1.508 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.789 -6.496 -4.111 1.00 10.00 C ATOM 0 H ILE A 12 -5.480 -9.775 -2.719 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.980 -8.744 -1.833 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.742 -7.588 -1.690 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.741 -7.145 -3.952 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.902 -8.457 -4.011 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.556 -5.390 -1.892 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.089 -6.272 -0.419 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.998 -6.247 -1.825 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.764 -6.469 -5.200 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.772 -6.830 -3.779 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.593 -5.498 -3.719 1.00 10.00 H new ATOM 175 N GLN A 13 -5.172 -9.430 0.560 1.00 10.00 N ATOM 176 CA GLN A 13 -5.389 -9.647 1.987 1.00 10.00 C ATOM 177 C GLN A 13 -4.342 -10.602 2.530 1.00 10.00 C ATOM 178 O GLN A 13 -3.735 -10.314 3.554 1.00 10.00 O ATOM 179 CB GLN A 13 -6.825 -10.128 2.274 1.00 10.00 C ATOM 180 CG GLN A 13 -7.693 -9.045 2.938 1.00 10.00 C ATOM 181 CD GLN A 13 -7.549 -9.011 4.459 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.228 -10.011 5.092 1.00 10.00 O ATOM 183 NE2 GLN A 13 -7.806 -7.862 5.079 1.00 10.00 N ATOM 0 H GLN A 13 -5.993 -9.667 0.004 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.277 -8.696 2.507 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.292 -10.440 1.340 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.788 -11.005 2.921 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.422 -8.071 2.531 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.738 -9.218 2.682 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -8.072 -7.039 4.538 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -7.737 -7.804 6.095 1.00 10.00 H new ATOM 192 N LYS A 14 -4.068 -11.703 1.828 1.00 10.00 N ATOM 193 CA LYS A 14 -3.022 -12.635 2.229 1.00 10.00 C ATOM 194 C LYS A 14 -1.672 -11.929 2.465 1.00 10.00 C ATOM 195 O LYS A 14 -0.861 -12.406 3.258 1.00 10.00 O ATOM 196 CB LYS A 14 -2.907 -13.786 1.214 1.00 10.00 C ATOM 197 CG LYS A 14 -4.074 -14.777 1.336 1.00 10.00 C ATOM 198 CD LYS A 14 -3.801 -16.031 0.487 1.00 10.00 C ATOM 199 CE LYS A 14 -4.863 -17.122 0.694 1.00 10.00 C ATOM 200 NZ LYS A 14 -4.808 -17.724 2.044 1.00 10.00 N ATOM 0 H LYS A 14 -4.561 -11.969 0.975 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.308 -13.064 3.189 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.882 -13.378 0.204 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.966 -14.313 1.368 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.213 -15.059 2.380 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.999 -14.302 1.009 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.770 -15.753 -0.567 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -2.819 -16.431 0.740 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.853 -16.695 0.531 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -4.726 -17.903 -0.054 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.475 -18.520 2.096 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -3.844 -18.066 2.232 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.066 -17.009 2.754 1.00 10.00 H new ATOM 214 N HIS A 15 -1.430 -10.785 1.820 1.00 10.00 N ATOM 215 CA HIS A 15 -0.209 -9.999 1.965 1.00 10.00 C ATOM 216 C HIS A 15 -0.415 -8.888 3.008 1.00 10.00 C ATOM 217 O HIS A 15 -0.497 -7.703 2.672 1.00 10.00 O ATOM 218 CB HIS A 15 0.210 -9.470 0.587 1.00 10.00 C ATOM 219 CG HIS A 15 0.723 -10.536 -0.349 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.940 -10.521 -0.988 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.077 -11.684 -0.726 1.00 10.00 C ATOM 222 CE1 HIS A 15 2.040 -11.656 -1.700 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.937 -12.407 -1.559 1.00 10.00 N ATOM 0 H HIS A 15 -2.096 -10.372 1.167 1.00 10.00 H new ATOM 0 HA HIS A 15 0.607 -10.618 2.338 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.644 -8.975 0.124 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.984 -8.714 0.719 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.920 -11.978 -0.432 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.893 -11.927 -2.304 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.761 -13.321 -1.976 1.00 10.00 H new ATOM 231 N ASN A 16 -0.460 -9.294 4.286 1.00 10.00 N ATOM 232 CA ASN A 16 -0.713 -8.439 5.445 1.00 10.00 C ATOM 233 C ASN A 16 0.196 -8.840 6.615 1.00 10.00 C ATOM 234 O ASN A 16 -0.269 -9.287 7.654 1.00 10.00 O ATOM 235 CB ASN A 16 -2.209 -8.450 5.836 1.00 10.00 C ATOM 236 CG ASN A 16 -2.676 -9.744 6.515 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.548 -10.877 5.835 1.00 10.00 O flip ATOM 238 ND2 ASN A 16 -3.140 -9.733 7.652 1.00 10.00 N flip ATOM 0 H ASN A 16 -0.314 -10.269 4.546 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.469 -7.411 5.177 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.403 -7.612 6.505 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.808 -8.288 4.940 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.230 -8.852 8.158 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.435 -10.605 8.091 1.00 10.00 H new ATOM 245 N ASN A 17 1.511 -8.663 6.456 1.00 10.00 N ATOM 246 CA ASN A 17 2.505 -8.880 7.518 1.00 10.00 C ATOM 247 C ASN A 17 2.853 -10.366 7.639 1.00 10.00 C ATOM 248 O ASN A 17 2.479 -11.026 8.602 1.00 10.00 O ATOM 249 CB ASN A 17 2.059 -8.288 8.873 1.00 10.00 C ATOM 250 CG ASN A 17 3.199 -8.134 9.873 1.00 10.00 C ATOM 251 OD1 ASN A 17 4.361 -8.395 9.572 1.00 10.00 O ATOM 252 ND2 ASN A 17 2.882 -7.633 11.065 1.00 10.00 N ATOM 0 H ASN A 17 1.924 -8.360 5.574 1.00 10.00 H new ATOM 0 HA ASN A 17 3.408 -8.341 7.231 1.00 10.00 H new ATOM 0 HB2 ASN A 17 1.602 -7.313 8.702 1.00 10.00 H new ATOM 0 HB3 ASN A 17 1.291 -8.929 9.305 1.00 10.00 H new ATOM 0 HD21 ASN A 17 3.612 -7.457 11.755 1.00 10.00 H new ATOM 0 HD22 ASN A 17 1.909 -7.425 11.289 1.00 10.00 H new ATOM 259 N SER A 18 3.575 -10.887 6.642 1.00 10.00 N ATOM 260 CA SER A 18 4.004 -12.281 6.579 1.00 10.00 C ATOM 261 C SER A 18 4.951 -12.458 5.392 1.00 10.00 C ATOM 262 O SER A 18 6.082 -12.902 5.556 1.00 10.00 O ATOM 263 CB SER A 18 2.793 -13.231 6.457 1.00 10.00 C ATOM 264 OG SER A 18 2.612 -13.990 7.636 1.00 10.00 O ATOM 0 H SER A 18 3.882 -10.336 5.840 1.00 10.00 H new ATOM 0 HA SER A 18 4.525 -12.535 7.502 1.00 10.00 H new ATOM 0 HB2 SER A 18 1.893 -12.651 6.254 1.00 10.00 H new ATOM 0 HB3 SER A 18 2.938 -13.901 5.610 1.00 10.00 H new ATOM 0 HG SER A 18 2.533 -13.387 8.404 1.00 10.00 H new ATOM 270 N LYS A 19 4.462 -12.129 4.192 1.00 10.00 N ATOM 271 CA LYS A 19 5.186 -12.292 2.933 1.00 10.00 C ATOM 272 C LYS A 19 5.510 -10.915 2.363 1.00 10.00 C ATOM 273 O LYS A 19 6.661 -10.624 2.051 1.00 10.00 O ATOM 274 CB LYS A 19 4.336 -13.121 1.961 1.00 10.00 C ATOM 275 CG LYS A 19 4.206 -14.563 2.477 1.00 10.00 C ATOM 276 CD LYS A 19 3.049 -15.318 1.807 1.00 10.00 C ATOM 277 CE LYS A 19 3.437 -15.990 0.478 1.00 10.00 C ATOM 278 NZ LYS A 19 3.314 -17.463 0.550 1.00 10.00 N ATOM 0 H LYS A 19 3.530 -11.733 4.069 1.00 10.00 H new ATOM 0 HA LYS A 19 6.124 -12.823 3.096 1.00 10.00 H new ATOM 0 HB2 LYS A 19 3.348 -12.673 1.856 1.00 10.00 H new ATOM 0 HB3 LYS A 19 4.794 -13.120 0.972 1.00 10.00 H new ATOM 0 HG2 LYS A 19 5.139 -15.097 2.296 1.00 10.00 H new ATOM 0 HG3 LYS A 19 4.051 -14.548 3.556 1.00 10.00 H new ATOM 0 HD2 LYS A 19 2.677 -16.078 2.494 1.00 10.00 H new ATOM 0 HD3 LYS A 19 2.229 -14.623 1.627 1.00 10.00 H new ATOM 0 HE2 LYS A 19 2.800 -15.611 -0.321 1.00 10.00 H new ATOM 0 HE3 LYS A 19 4.462 -15.723 0.222 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 3.584 -17.879 -0.364 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 3.941 -17.828 1.295 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 2.330 -17.719 0.770 1.00 10.00 H new ATOM 292 N SER A 20 4.496 -10.055 2.257 1.00 10.00 N ATOM 293 CA SER A 20 4.692 -8.651 1.967 1.00 10.00 C ATOM 294 C SER A 20 3.497 -7.868 2.520 1.00 10.00 C ATOM 295 O SER A 20 2.514 -8.467 2.961 1.00 10.00 O ATOM 296 CB SER A 20 4.952 -8.437 0.464 1.00 10.00 C ATOM 297 OG SER A 20 4.851 -7.071 0.124 1.00 10.00 O ATOM 0 H SER A 20 3.518 -10.322 2.371 1.00 10.00 H new ATOM 0 HA SER A 20 5.584 -8.268 2.462 1.00 10.00 H new ATOM 0 HB2 SER A 20 5.944 -8.807 0.206 1.00 10.00 H new ATOM 0 HB3 SER A 20 4.235 -9.015 -0.119 1.00 10.00 H new ATOM 0 HG SER A 20 4.574 -6.987 -0.812 1.00 10.00 H new ATOM 303 N THR A 21 3.630 -6.544 2.530 1.00 10.00 N ATOM 304 CA THR A 21 2.625 -5.548 2.843 1.00 10.00 C ATOM 305 C THR A 21 2.093 -5.005 1.521 1.00 10.00 C ATOM 306 O THR A 21 2.714 -4.132 0.912 1.00 10.00 O ATOM 307 CB THR A 21 3.273 -4.453 3.708 1.00 10.00 C ATOM 308 OG1 THR A 21 3.416 -4.957 5.022 1.00 10.00 O ATOM 309 CG2 THR A 21 2.479 -3.140 3.736 1.00 10.00 C ATOM 0 H THR A 21 4.523 -6.110 2.298 1.00 10.00 H new ATOM 0 HA THR A 21 1.791 -5.962 3.410 1.00 10.00 H new ATOM 0 HB THR A 21 4.238 -4.208 3.264 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.520 -4.211 5.649 1.00 10.00 H new ATOM 0 HG21 THR A 21 2.996 -2.415 4.365 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.393 -2.745 2.724 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.483 -3.325 4.139 1.00 10.00 H new ATOM 317 N TRP A 22 0.950 -5.540 1.083 1.00 10.00 N ATOM 318 CA TRP A 22 0.209 -5.022 -0.055 1.00 10.00 C ATOM 319 C TRP A 22 -0.977 -4.235 0.469 1.00 10.00 C ATOM 320 O TRP A 22 -1.231 -4.235 1.669 1.00 10.00 O ATOM 321 CB TRP A 22 -0.278 -6.181 -0.918 1.00 10.00 C ATOM 322 CG TRP A 22 0.773 -6.911 -1.688 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.106 -6.822 -1.499 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.599 -7.749 -2.865 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.761 -7.544 -2.463 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.885 -8.125 -3.351 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.519 -8.180 -3.605 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.055 -8.882 -4.518 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.367 -8.975 -4.752 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.917 -9.307 -5.225 1.00 10.00 C ATOM 0 H TRP A 22 0.514 -6.353 1.518 1.00 10.00 H new ATOM 0 HA TRP A 22 0.846 -4.378 -0.661 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.792 -6.896 -0.275 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -1.016 -5.798 -1.623 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.585 -6.265 -0.707 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.775 -7.639 -2.516 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.510 -7.894 -3.285 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.045 -9.135 -4.869 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.241 -9.334 -5.275 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.027 -9.887 -6.129 1.00 10.00 H new ATOM 341 N LEU A 23 -1.703 -3.556 -0.416 1.00 10.00 N ATOM 342 CA LEU A 23 -2.818 -2.702 -0.059 1.00 10.00 C ATOM 343 C LEU A 23 -3.435 -2.158 -1.338 1.00 10.00 C ATOM 344 O LEU A 23 -2.859 -2.349 -2.406 1.00 10.00 O ATOM 345 CB LEU A 23 -2.415 -1.602 0.932 1.00 10.00 C ATOM 346 CG LEU A 23 -1.021 -1.001 0.698 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.080 0.099 -0.352 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.499 -0.442 2.019 1.00 10.00 C ATOM 0 H LEU A 23 -1.524 -3.589 -1.420 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.571 -3.285 0.472 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.153 -0.801 0.884 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.454 -2.011 1.942 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.348 -1.777 0.333 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.083 0.512 -0.503 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.448 -0.314 -1.291 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.752 0.888 -0.015 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.491 -0.012 1.866 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.178 0.330 2.381 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.437 -1.244 2.754 1.00 10.00 H new ATOM 360 N ILE A 24 -4.600 -1.515 -1.221 1.00 10.00 N ATOM 361 CA ILE A 24 -5.393 -1.003 -2.329 1.00 10.00 C ATOM 362 C ILE A 24 -5.563 0.487 -2.080 1.00 10.00 C ATOM 363 O ILE A 24 -6.143 0.883 -1.066 1.00 10.00 O ATOM 364 CB ILE A 24 -6.744 -1.734 -2.409 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.500 -3.178 -2.871 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.711 -1.069 -3.401 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.645 -4.121 -2.482 1.00 10.00 C ATOM 0 H ILE A 24 -5.029 -1.332 -0.314 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.904 -1.171 -3.288 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.196 -1.698 -1.418 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.373 -3.193 -3.953 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.570 -3.543 -2.436 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.650 -1.623 -3.421 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.902 -0.042 -3.090 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.268 -1.070 -4.397 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.422 -5.129 -2.833 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.756 -4.130 -1.398 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.572 -3.775 -2.939 1.00 10.00 H new ATOM 379 N LEU A 25 -5.012 1.298 -2.983 1.00 10.00 N ATOM 380 CA LEU A 25 -5.068 2.749 -2.948 1.00 10.00 C ATOM 381 C LEU A 25 -5.776 3.191 -4.224 1.00 10.00 C ATOM 382 O LEU A 25 -5.124 3.511 -5.210 1.00 10.00 O ATOM 383 CB LEU A 25 -3.636 3.315 -2.890 1.00 10.00 C ATOM 384 CG LEU A 25 -2.951 3.499 -1.536 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.586 2.658 -0.452 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.434 3.268 -1.646 1.00 10.00 C ATOM 0 H LEU A 25 -4.496 0.943 -3.788 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.604 3.113 -2.071 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.003 2.661 -3.490 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.649 4.287 -3.384 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.099 4.536 -1.235 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.064 2.824 0.490 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.633 2.938 -0.341 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.519 1.604 -0.723 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.973 3.406 -0.668 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.245 2.253 -1.997 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.008 3.981 -2.352 1.00 10.00 H new ATOM 398 N HIS A 26 -7.111 3.204 -4.205 1.00 10.00 N ATOM 399 CA HIS A 26 -7.944 3.592 -5.342 1.00 10.00 C ATOM 400 C HIS A 26 -7.850 2.544 -6.436 1.00 10.00 C ATOM 401 O HIS A 26 -7.395 2.818 -7.545 1.00 10.00 O ATOM 402 CB HIS A 26 -7.606 4.978 -5.908 1.00 10.00 C ATOM 403 CG HIS A 26 -7.571 6.054 -4.872 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.640 6.823 -4.482 1.00 10.00 N ATOM 405 CD2 HIS A 26 -6.489 6.404 -4.113 1.00 10.00 C ATOM 406 CE1 HIS A 26 -8.208 7.626 -3.502 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.912 7.391 -3.232 1.00 10.00 N ATOM 0 H HIS A 26 -7.652 2.940 -3.382 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.966 3.655 -4.968 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.637 4.932 -6.405 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -8.342 5.240 -6.668 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -9.584 6.789 -4.866 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.494 5.991 -4.185 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -8.817 8.362 -2.997 1.00 10.00 H new ATOM 415 N TYR A 27 -8.314 1.338 -6.115 1.00 10.00 N ATOM 416 CA TYR A 27 -8.394 0.248 -7.067 1.00 10.00 C ATOM 417 C TYR A 27 -7.015 -0.080 -7.657 1.00 10.00 C ATOM 418 O TYR A 27 -6.950 -0.632 -8.750 1.00 10.00 O ATOM 419 CB TYR A 27 -9.419 0.564 -8.177 1.00 10.00 C ATOM 420 CG TYR A 27 -10.815 0.935 -7.705 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.091 2.222 -7.205 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.864 0.005 -7.822 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.360 2.519 -6.681 1.00 10.00 C ATOM 424 CE2 TYR A 27 -13.131 0.295 -7.289 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.373 1.546 -6.699 1.00 10.00 C ATOM 426 OH TYR A 27 -14.603 1.844 -6.196 1.00 10.00 O ATOM 0 H TYR A 27 -8.645 1.095 -5.181 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.739 -0.638 -6.534 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -9.031 1.384 -8.781 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.496 -0.304 -8.831 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.325 2.983 -7.224 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.695 -0.936 -8.324 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.557 3.496 -6.264 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.918 -0.443 -7.333 1.00 10.00 H new ATOM 0 HH TYR A 27 -15.190 1.064 -6.284 1.00 10.00 H new ATOM 436 N LYS A 28 -5.928 0.257 -6.953 1.00 10.00 N ATOM 437 CA LYS A 28 -4.549 0.138 -7.410 1.00 10.00 C ATOM 438 C LYS A 28 -3.742 -0.531 -6.310 1.00 10.00 C ATOM 439 O LYS A 28 -3.791 -0.072 -5.168 1.00 10.00 O ATOM 440 CB LYS A 28 -3.967 1.520 -7.696 1.00 10.00 C ATOM 441 CG LYS A 28 -4.572 2.216 -8.915 1.00 10.00 C ATOM 442 CD LYS A 28 -3.590 2.186 -10.092 1.00 10.00 C ATOM 443 CE LYS A 28 -4.085 3.130 -11.191 1.00 10.00 C ATOM 444 NZ LYS A 28 -3.542 4.484 -10.988 1.00 10.00 N ATOM 0 H LYS A 28 -5.995 0.636 -6.008 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.513 -0.451 -8.326 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.115 2.152 -6.820 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.891 1.425 -7.843 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.503 1.724 -9.197 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -4.820 3.248 -8.666 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.597 2.487 -9.759 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.502 1.172 -10.481 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.782 2.752 -12.167 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.174 3.164 -11.187 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.887 5.113 -11.741 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.852 4.848 -10.064 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -2.503 4.449 -11.015 1.00 10.00 H new ATOM 458 N VAL A 29 -3.031 -1.608 -6.648 1.00 10.00 N ATOM 459 CA VAL A 29 -2.250 -2.391 -5.708 1.00 10.00 C ATOM 460 C VAL A 29 -0.780 -1.974 -5.749 1.00 10.00 C ATOM 461 O VAL A 29 -0.200 -1.803 -6.825 1.00 10.00 O ATOM 462 CB VAL A 29 -2.423 -3.889 -5.985 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.959 -4.712 -4.779 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.886 -4.225 -6.269 1.00 10.00 C ATOM 0 H VAL A 29 -2.986 -1.962 -7.604 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.616 -2.197 -4.700 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.818 -4.134 -6.858 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.088 -5.773 -4.991 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.907 -4.507 -4.582 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.551 -4.442 -3.905 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.983 -5.293 -6.462 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.495 -3.956 -5.406 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.225 -3.666 -7.141 1.00 10.00 H new ATOM 474 N TYR A 30 -0.186 -1.823 -4.562 1.00 10.00 N ATOM 475 CA TYR A 30 1.178 -1.359 -4.370 1.00 10.00 C ATOM 476 C TYR A 30 1.928 -2.358 -3.485 1.00 10.00 C ATOM 477 O TYR A 30 1.626 -2.461 -2.297 1.00 10.00 O ATOM 478 CB TYR A 30 1.130 0.042 -3.747 1.00 10.00 C ATOM 479 CG TYR A 30 0.528 1.099 -4.657 1.00 10.00 C ATOM 480 CD1 TYR A 30 -0.862 1.309 -4.689 1.00 10.00 C ATOM 481 CD2 TYR A 30 1.359 1.854 -5.501 1.00 10.00 C ATOM 482 CE1 TYR A 30 -1.407 2.288 -5.540 1.00 10.00 C ATOM 483 CE2 TYR A 30 0.805 2.833 -6.346 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.574 3.064 -6.353 1.00 10.00 C ATOM 485 OH TYR A 30 -1.098 3.998 -7.198 1.00 10.00 O ATOM 0 H TYR A 30 -0.662 -2.029 -3.684 1.00 10.00 H new ATOM 0 HA TYR A 30 1.712 -1.294 -5.318 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.552 -0.001 -2.824 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.142 0.343 -3.476 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.512 0.718 -4.060 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.425 1.683 -5.501 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.476 2.441 -5.566 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.449 3.410 -6.993 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.373 4.443 -7.684 1.00 10.00 H new ATOM 495 N ASP A 31 2.886 -3.095 -4.059 1.00 10.00 N ATOM 496 CA ASP A 31 3.752 -4.011 -3.321 1.00 10.00 C ATOM 497 C ASP A 31 4.916 -3.199 -2.779 1.00 10.00 C ATOM 498 O ASP A 31 5.807 -2.823 -3.540 1.00 10.00 O ATOM 499 CB ASP A 31 4.277 -5.120 -4.241 1.00 10.00 C ATOM 500 CG ASP A 31 5.312 -6.030 -3.584 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.117 -6.367 -2.394 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.236 -6.459 -4.302 1.00 10.00 O ATOM 0 H ASP A 31 3.081 -3.069 -5.060 1.00 10.00 H new ATOM 0 HA ASP A 31 3.195 -4.485 -2.513 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.437 -5.726 -4.579 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.718 -4.665 -5.128 1.00 10.00 H new ATOM 507 N LEU A 32 4.883 -2.875 -1.487 1.00 10.00 N ATOM 508 CA LEU A 32 5.950 -2.133 -0.856 1.00 10.00 C ATOM 509 C LEU A 32 6.807 -3.101 -0.043 1.00 10.00 C ATOM 510 O LEU A 32 7.722 -3.708 -0.590 1.00 10.00 O ATOM 511 CB LEU A 32 5.379 -0.947 -0.074 1.00 10.00 C ATOM 512 CG LEU A 32 4.590 0.006 -0.995 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.144 0.137 -0.510 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.272 1.372 -1.043 1.00 10.00 C ATOM 0 H LEU A 32 4.117 -3.122 -0.860 1.00 10.00 H new ATOM 0 HA LEU A 32 6.617 -1.681 -1.591 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.727 -1.312 0.719 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.191 -0.401 0.407 1.00 10.00 H new ATOM 0 HG LEU A 32 4.575 -0.408 -2.003 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.599 0.813 -1.169 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.667 -0.843 -0.520 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.135 0.535 0.505 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.707 2.038 -1.696 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.311 1.795 -0.039 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.285 1.259 -1.428 1.00 10.00 H new ATOM 526 N THR A 33 6.532 -3.247 1.258 1.00 10.00 N ATOM 527 CA THR A 33 7.246 -4.094 2.207 1.00 10.00 C ATOM 528 C THR A 33 8.691 -3.653 2.464 1.00 10.00 C ATOM 529 O THR A 33 9.065 -3.309 3.581 1.00 10.00 O ATOM 530 CB THR A 33 7.067 -5.582 1.879 1.00 10.00 C ATOM 531 OG1 THR A 33 6.292 -6.143 2.915 1.00 10.00 O ATOM 532 CG2 THR A 33 8.346 -6.403 1.748 1.00 10.00 C ATOM 0 H THR A 33 5.760 -2.746 1.697 1.00 10.00 H new ATOM 0 HA THR A 33 6.776 -3.952 3.180 1.00 10.00 H new ATOM 0 HB THR A 33 6.604 -5.621 0.893 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.851 -6.741 3.454 1.00 10.00 H new ATOM 0 HG21 THR A 33 8.092 -7.437 1.515 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.962 -5.992 0.948 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.899 -6.367 2.687 1.00 10.00 H new ATOM 540 N LYS A 34 9.509 -3.600 1.423 1.00 10.00 N ATOM 541 CA LYS A 34 10.866 -3.109 1.510 1.00 10.00 C ATOM 542 C LYS A 34 10.868 -1.600 1.709 1.00 10.00 C ATOM 543 O LYS A 34 11.917 -1.039 1.989 1.00 10.00 O ATOM 544 CB LYS A 34 11.615 -3.543 0.250 1.00 10.00 C ATOM 545 CG LYS A 34 12.140 -4.961 0.487 1.00 10.00 C ATOM 546 CD LYS A 34 12.557 -5.600 -0.838 1.00 10.00 C ATOM 547 CE LYS A 34 13.382 -6.867 -0.574 1.00 10.00 C ATOM 548 NZ LYS A 34 14.257 -7.190 -1.718 1.00 10.00 N ATOM 0 H LYS A 34 9.241 -3.901 0.486 1.00 10.00 H new ATOM 0 HA LYS A 34 11.379 -3.531 2.374 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.953 -3.520 -0.616 1.00 10.00 H new ATOM 0 HB3 LYS A 34 12.438 -2.860 0.040 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.990 -4.932 1.168 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.369 -5.567 0.964 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.673 -5.848 -1.426 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.142 -4.891 -1.425 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.988 -6.728 0.321 1.00 10.00 H new ATOM 0 HE3 LYS A 34 12.712 -7.705 -0.379 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.800 -8.051 -1.507 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.676 -7.346 -2.566 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 14.912 -6.400 -1.888 1.00 10.00 H new ATOM 562 N PHE A 35 9.698 -0.961 1.601 1.00 10.00 N ATOM 563 CA PHE A 35 9.538 0.450 1.869 1.00 10.00 C ATOM 564 C PHE A 35 8.944 0.684 3.258 1.00 10.00 C ATOM 565 O PHE A 35 8.627 1.816 3.573 1.00 10.00 O ATOM 566 CB PHE A 35 8.642 1.063 0.788 1.00 10.00 C ATOM 567 CG PHE A 35 8.853 2.549 0.527 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.127 3.033 0.170 1.00 10.00 C ATOM 569 CD2 PHE A 35 7.774 3.451 0.617 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.326 4.404 -0.061 1.00 10.00 C ATOM 571 CE2 PHE A 35 7.973 4.823 0.382 1.00 10.00 C ATOM 572 CZ PHE A 35 9.253 5.303 0.061 1.00 10.00 C ATOM 0 H PHE A 35 8.834 -1.425 1.321 1.00 10.00 H new ATOM 0 HA PHE A 35 10.516 0.930 1.849 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.804 0.522 -0.144 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.601 0.906 1.071 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.955 2.346 0.073 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.789 3.086 0.868 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.306 4.768 -0.333 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.141 5.508 0.448 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.412 6.360 -0.092 1.00 10.00 H new ATOM 582 N LEU A 36 8.726 -0.340 4.091 1.00 10.00 N ATOM 583 CA LEU A 36 8.049 -0.126 5.375 1.00 10.00 C ATOM 584 C LEU A 36 8.807 0.862 6.259 1.00 10.00 C ATOM 585 O LEU A 36 8.267 1.891 6.658 1.00 10.00 O ATOM 586 CB LEU A 36 7.853 -1.453 6.110 1.00 10.00 C ATOM 587 CG LEU A 36 6.841 -2.339 5.388 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.929 -3.759 5.951 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.420 -1.800 5.499 1.00 10.00 C ATOM 0 H LEU A 36 9.001 -1.304 3.906 1.00 10.00 H new ATOM 0 HA LEU A 36 7.072 0.306 5.158 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.807 -1.974 6.186 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.512 -1.261 7.127 1.00 10.00 H new ATOM 0 HG LEU A 36 7.087 -2.346 4.326 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.209 -4.398 5.440 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.935 -4.150 5.797 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.706 -3.742 7.018 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.737 -2.464 4.970 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.133 -1.745 6.549 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.373 -0.804 5.058 1.00 10.00 H new ATOM 601 N GLU A 37 10.056 0.524 6.574 1.00 10.00 N ATOM 602 CA GLU A 37 10.935 1.352 7.386 1.00 10.00 C ATOM 603 C GLU A 37 11.295 2.640 6.633 1.00 10.00 C ATOM 604 O GLU A 37 11.381 3.712 7.227 1.00 10.00 O ATOM 605 CB GLU A 37 12.178 0.527 7.771 1.00 10.00 C ATOM 606 CG GLU A 37 12.279 0.309 9.284 1.00 10.00 C ATOM 607 CD GLU A 37 13.355 -0.720 9.606 1.00 10.00 C ATOM 608 OE1 GLU A 37 13.051 -1.923 9.453 1.00 10.00 O ATOM 609 OE2 GLU A 37 14.476 -0.286 9.947 1.00 10.00 O ATOM 0 H GLU A 37 10.489 -0.347 6.266 1.00 10.00 H new ATOM 0 HA GLU A 37 10.432 1.657 8.304 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.141 -0.439 7.268 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.074 1.037 7.418 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.511 1.252 9.778 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.318 -0.027 9.674 1.00 10.00 H new ATOM 616 N GLU A 38 11.502 2.527 5.318 1.00 10.00 N ATOM 617 CA GLU A 38 11.918 3.628 4.460 1.00 10.00 C ATOM 618 C GLU A 38 10.821 4.697 4.385 1.00 10.00 C ATOM 619 O GLU A 38 11.099 5.894 4.374 1.00 10.00 O ATOM 620 CB GLU A 38 12.199 3.081 3.058 1.00 10.00 C ATOM 621 CG GLU A 38 13.216 1.927 3.022 1.00 10.00 C ATOM 622 CD GLU A 38 14.568 2.372 2.483 1.00 10.00 C ATOM 623 OE1 GLU A 38 15.328 2.966 3.276 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.805 2.124 1.281 1.00 10.00 O ATOM 0 H GLU A 38 11.381 1.648 4.815 1.00 10.00 H new ATOM 0 HA GLU A 38 12.817 4.086 4.873 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.262 2.738 2.620 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.566 3.893 2.430 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.342 1.524 4.027 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.826 1.120 2.401 1.00 10.00 H new ATOM 631 N HIS A 39 9.568 4.248 4.283 1.00 10.00 N ATOM 632 CA HIS A 39 8.389 5.083 4.149 1.00 10.00 C ATOM 633 C HIS A 39 8.345 6.088 5.303 1.00 10.00 C ATOM 634 O HIS A 39 8.236 5.671 6.460 1.00 10.00 O ATOM 635 CB HIS A 39 7.134 4.202 4.145 1.00 10.00 C ATOM 636 CG HIS A 39 5.848 4.961 4.253 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.073 5.037 5.380 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.234 5.679 3.264 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.004 5.785 5.072 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.058 6.211 3.794 1.00 10.00 N ATOM 0 H HIS A 39 9.346 3.252 4.293 1.00 10.00 H new ATOM 0 HA HIS A 39 8.428 5.633 3.209 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.120 3.615 3.227 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.197 3.497 4.974 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.272 4.606 6.283 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.595 5.811 2.254 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.203 6.016 5.759 1.00 10.00 H new ATOM 648 N PRO A 40 8.393 7.399 5.017 1.00 10.00 N ATOM 649 CA PRO A 40 8.428 8.430 6.039 1.00 10.00 C ATOM 650 C PRO A 40 7.038 8.584 6.668 1.00 10.00 C ATOM 651 O PRO A 40 6.325 9.553 6.427 1.00 10.00 O ATOM 652 CB PRO A 40 8.946 9.686 5.331 1.00 10.00 C ATOM 653 CG PRO A 40 8.520 9.493 3.877 1.00 10.00 C ATOM 654 CD PRO A 40 8.480 7.978 3.685 1.00 10.00 C ATOM 0 HA PRO A 40 9.085 8.197 6.877 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.513 10.591 5.757 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.028 9.777 5.421 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.545 9.943 3.686 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.226 9.961 3.191 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.624 7.686 3.077 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.373 7.628 3.167 1.00 10.00 H new ATOM 662 N GLY A 41 6.669 7.594 7.482 1.00 10.00 N ATOM 663 CA GLY A 41 5.403 7.501 8.190 1.00 10.00 C ATOM 664 C GLY A 41 5.557 6.684 9.471 1.00 10.00 C ATOM 665 O GLY A 41 4.982 7.041 10.495 1.00 10.00 O ATOM 0 H GLY A 41 7.279 6.799 7.671 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.042 8.501 8.432 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.654 7.039 7.546 1.00 10.00 H new ATOM 669 N GLY A 42 6.326 5.589 9.412 1.00 10.00 N ATOM 670 CA GLY A 42 6.522 4.683 10.533 1.00 10.00 C ATOM 671 C GLY A 42 5.842 3.351 10.231 1.00 10.00 C ATOM 672 O GLY A 42 4.617 3.282 10.109 1.00 10.00 O ATOM 0 H GLY A 42 6.832 5.311 8.571 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.587 4.529 10.709 1.00 10.00 H new ATOM 0 HA3 GLY A 42 6.108 5.117 11.443 1.00 10.00 H new ATOM 676 N GLU A 43 6.645 2.295 10.085 1.00 10.00 N ATOM 677 CA GLU A 43 6.181 0.933 9.898 1.00 10.00 C ATOM 678 C GLU A 43 5.289 0.478 11.054 1.00 10.00 C ATOM 679 O GLU A 43 5.727 -0.056 12.068 1.00 10.00 O ATOM 680 CB GLU A 43 7.367 -0.001 9.724 1.00 10.00 C ATOM 681 CG GLU A 43 8.456 0.207 10.793 1.00 10.00 C ATOM 682 CD GLU A 43 9.041 -1.094 11.343 1.00 10.00 C ATOM 683 OE1 GLU A 43 8.616 -2.182 10.885 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.887 -0.969 12.252 1.00 10.00 O ATOM 0 H GLU A 43 7.662 2.374 10.095 1.00 10.00 H new ATOM 0 HA GLU A 43 5.574 0.902 8.993 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.019 -1.033 9.763 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.801 0.152 8.736 1.00 10.00 H new ATOM 0 HG2 GLU A 43 9.262 0.804 10.365 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.036 0.782 11.618 1.00 10.00 H new ATOM 691 N ALA A 44 3.997 0.687 10.871 1.00 10.00 N ATOM 692 CA ALA A 44 2.967 0.316 11.819 1.00 10.00 C ATOM 693 C ALA A 44 1.664 0.515 11.078 1.00 10.00 C ATOM 694 O ALA A 44 1.027 -0.447 10.662 1.00 10.00 O ATOM 695 CB ALA A 44 3.059 1.160 13.104 1.00 10.00 C ATOM 0 H ALA A 44 3.627 1.133 10.032 1.00 10.00 H new ATOM 0 HA ALA A 44 3.067 -0.714 12.161 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.272 0.857 13.795 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.032 1.006 13.571 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.938 2.215 12.856 1.00 10.00 H new ATOM 701 N VAL A 45 1.327 1.774 10.805 1.00 10.00 N ATOM 702 CA VAL A 45 0.133 2.084 10.050 1.00 10.00 C ATOM 703 C VAL A 45 0.251 1.525 8.630 1.00 10.00 C ATOM 704 O VAL A 45 -0.703 0.874 8.196 1.00 10.00 O ATOM 705 CB VAL A 45 -0.224 3.572 10.175 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.732 4.473 9.391 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.682 3.843 9.778 1.00 10.00 C ATOM 0 H VAL A 45 1.867 2.588 11.098 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.736 1.579 10.471 1.00 10.00 H new ATOM 0 HB VAL A 45 -0.110 3.824 11.229 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.434 5.514 9.514 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.747 4.340 9.765 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.697 4.208 8.334 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.895 4.907 9.880 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.840 3.539 8.743 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.348 3.276 10.428 1.00 10.00 H new ATOM 717 N LEU A 46 1.400 1.648 7.923 1.00 10.00 N ATOM 718 CA LEU A 46 1.459 0.983 6.636 1.00 10.00 C ATOM 719 C LEU A 46 1.316 -0.551 6.757 1.00 10.00 C ATOM 720 O LEU A 46 0.803 -1.191 5.844 1.00 10.00 O ATOM 721 CB LEU A 46 2.732 1.482 5.949 1.00 10.00 C ATOM 722 CG LEU A 46 3.083 0.761 4.653 1.00 10.00 C ATOM 723 CD1 LEU A 46 1.995 0.862 3.588 1.00 10.00 C ATOM 724 CD2 LEU A 46 4.375 1.366 4.098 1.00 10.00 C ATOM 0 H LEU A 46 2.232 2.165 8.208 1.00 10.00 H new ATOM 0 HA LEU A 46 0.607 1.237 6.005 1.00 10.00 H new ATOM 0 HB2 LEU A 46 2.621 2.546 5.738 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.566 1.380 6.643 1.00 10.00 H new ATOM 0 HG LEU A 46 3.195 -0.297 4.891 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.311 0.327 2.693 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.073 0.422 3.967 1.00 10.00 H new ATOM 0 HD13 LEU A 46 1.823 1.910 3.342 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.643 0.862 3.169 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.226 2.428 3.905 1.00 10.00 H new ATOM 0 HD23 LEU A 46 5.178 1.239 4.824 1.00 10.00 H new ATOM 736 N ARG A 47 1.714 -1.150 7.884 1.00 10.00 N ATOM 737 CA ARG A 47 1.620 -2.592 8.100 1.00 10.00 C ATOM 738 C ARG A 47 0.197 -3.024 8.467 1.00 10.00 C ATOM 739 O ARG A 47 -0.231 -4.102 8.067 1.00 10.00 O ATOM 740 CB ARG A 47 2.629 -3.018 9.178 1.00 10.00 C ATOM 741 CG ARG A 47 3.928 -3.552 8.561 1.00 10.00 C ATOM 742 CD ARG A 47 3.834 -5.068 8.331 1.00 10.00 C ATOM 743 NE ARG A 47 5.130 -5.650 7.943 1.00 10.00 N ATOM 744 CZ ARG A 47 6.177 -5.811 8.774 1.00 10.00 C ATOM 745 NH1 ARG A 47 6.060 -5.471 10.062 1.00 10.00 N ATOM 746 NH2 ARG A 47 7.343 -6.279 8.315 1.00 10.00 N ATOM 0 H ARG A 47 2.112 -0.643 8.674 1.00 10.00 H new ATOM 0 HA ARG A 47 1.865 -3.096 7.165 1.00 10.00 H new ATOM 0 HB2 ARG A 47 2.855 -2.168 9.821 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.184 -3.786 9.810 1.00 10.00 H new ATOM 0 HG2 ARG A 47 4.122 -3.047 7.615 1.00 10.00 H new ATOM 0 HG3 ARG A 47 4.768 -3.330 9.219 1.00 10.00 H new ATOM 0 HD2 ARG A 47 3.478 -5.551 9.241 1.00 10.00 H new ATOM 0 HD3 ARG A 47 3.098 -5.271 7.553 1.00 10.00 H new ATOM 0 HE ARG A 47 5.242 -5.953 6.975 1.00 10.00 H new ATOM 0 HH11 ARG A 47 5.180 -5.091 10.411 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.851 -5.591 10.695 1.00 10.00 H new ATOM 0 HH21 ARG A 47 7.444 -6.517 7.328 1.00 10.00 H new ATOM 0 HH22 ARG A 47 8.131 -6.398 8.952 1.00 10.00 H new ATOM 760 N ALA A 48 -0.528 -2.215 9.241 1.00 10.00 N ATOM 761 CA ALA A 48 -1.846 -2.572 9.751 1.00 10.00 C ATOM 762 C ALA A 48 -2.919 -2.349 8.688 1.00 10.00 C ATOM 763 O ALA A 48 -3.851 -3.137 8.573 1.00 10.00 O ATOM 764 CB ALA A 48 -2.153 -1.770 11.017 1.00 10.00 C ATOM 0 H ALA A 48 -0.213 -1.289 9.531 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.847 -3.632 10.004 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.140 -2.044 11.391 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.403 -1.989 11.777 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.135 -0.705 10.786 1.00 10.00 H new ATOM 770 N GLN A 49 -2.785 -1.272 7.905 1.00 10.00 N ATOM 771 CA GLN A 49 -3.677 -0.986 6.796 1.00 10.00 C ATOM 772 C GLN A 49 -3.361 -1.874 5.586 1.00 10.00 C ATOM 773 O GLN A 49 -4.099 -1.872 4.599 1.00 10.00 O ATOM 774 CB GLN A 49 -3.515 0.498 6.465 1.00 10.00 C ATOM 775 CG GLN A 49 -4.134 1.403 7.540 1.00 10.00 C ATOM 776 CD GLN A 49 -5.640 1.202 7.659 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.351 1.264 6.663 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.152 1.003 8.869 1.00 10.00 N ATOM 0 H GLN A 49 -2.049 -0.577 8.031 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.711 -1.203 7.065 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.455 0.732 6.362 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.983 0.707 5.503 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.664 1.197 8.502 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.925 2.446 7.300 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.537 0.956 9.681 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.160 0.898 8.985 1.00 10.00 H new ATOM 787 N ALA A 50 -2.260 -2.630 5.648 1.00 10.00 N ATOM 788 CA ALA A 50 -1.945 -3.617 4.637 1.00 10.00 C ATOM 789 C ALA A 50 -3.084 -4.629 4.504 1.00 10.00 C ATOM 790 O ALA A 50 -3.809 -4.890 5.460 1.00 10.00 O ATOM 791 CB ALA A 50 -0.649 -4.341 4.990 1.00 10.00 C ATOM 0 H ALA A 50 -1.573 -2.568 6.399 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.817 -3.103 3.684 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.424 -5.080 4.221 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.166 -3.620 5.049 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.762 -4.841 5.952 1.00 10.00 H new ATOM 797 N GLY A 51 -3.219 -5.217 3.319 1.00 10.00 N ATOM 798 CA GLY A 51 -4.182 -6.264 3.036 1.00 10.00 C ATOM 799 C GLY A 51 -5.133 -5.853 1.920 1.00 10.00 C ATOM 800 O GLY A 51 -5.622 -6.708 1.194 1.00 10.00 O ATOM 0 H GLY A 51 -2.646 -4.969 2.513 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.658 -7.177 2.752 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.752 -6.491 3.937 1.00 10.00 H new ATOM 804 N GLY A 52 -5.395 -4.555 1.747 1.00 10.00 N ATOM 805 CA GLY A 52 -6.224 -4.103 0.637 1.00 10.00 C ATOM 806 C GLY A 52 -7.364 -3.202 1.064 1.00 10.00 C ATOM 807 O GLY A 52 -8.476 -3.355 0.569 1.00 10.00 O ATOM 0 H GLY A 52 -5.049 -3.812 2.354 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.599 -3.570 -0.080 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.632 -4.972 0.121 1.00 10.00 H new ATOM 811 N ASP A 53 -7.089 -2.243 1.946 1.00 10.00 N ATOM 812 CA ASP A 53 -8.108 -1.304 2.381 1.00 10.00 C ATOM 813 C ASP A 53 -7.426 -0.125 3.059 1.00 10.00 C ATOM 814 O ASP A 53 -7.574 0.086 4.258 1.00 10.00 O ATOM 815 CB ASP A 53 -9.098 -2.000 3.326 1.00 10.00 C ATOM 816 CG ASP A 53 -10.266 -1.087 3.680 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.476 -0.103 2.934 1.00 10.00 O ATOM 818 OD2 ASP A 53 -10.943 -1.404 4.680 1.00 10.00 O ATOM 0 H ASP A 53 -6.172 -2.100 2.369 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.676 -0.939 1.525 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.474 -2.909 2.856 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.582 -2.303 4.237 1.00 10.00 H new ATOM 823 N ALA A 54 -6.616 0.617 2.297 1.00 10.00 N ATOM 824 CA ALA A 54 -5.884 1.751 2.840 1.00 10.00 C ATOM 825 C ALA A 54 -6.140 2.997 2.010 1.00 10.00 C ATOM 826 O ALA A 54 -5.388 3.958 2.119 1.00 10.00 O ATOM 827 CB ALA A 54 -4.391 1.424 2.897 1.00 10.00 C ATOM 0 H ALA A 54 -6.455 0.448 1.304 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.234 1.950 3.853 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -3.847 2.276 3.304 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.233 0.554 3.535 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.027 1.208 1.892 1.00 10.00 H new ATOM 833 N THR A 55 -7.183 3.001 1.177 1.00 10.00 N ATOM 834 CA THR A 55 -7.461 4.127 0.302 1.00 10.00 C ATOM 835 C THR A 55 -7.803 5.352 1.152 1.00 10.00 C ATOM 836 O THR A 55 -7.149 6.391 1.061 1.00 10.00 O ATOM 837 CB THR A 55 -8.578 3.739 -0.681 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.308 2.489 -1.290 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.674 4.750 -1.815 1.00 10.00 C ATOM 0 H THR A 55 -7.847 2.231 1.095 1.00 10.00 H new ATOM 0 HA THR A 55 -6.587 4.388 -0.295 1.00 10.00 H new ATOM 0 HB THR A 55 -9.501 3.702 -0.102 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.377 2.235 -1.118 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.471 4.456 -2.498 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.893 5.736 -1.406 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.727 4.783 -2.354 1.00 10.00 H new ATOM 847 N ALA A 56 -8.800 5.200 2.027 1.00 10.00 N ATOM 848 CA ALA A 56 -9.247 6.271 2.902 1.00 10.00 C ATOM 849 C ALA A 56 -8.097 6.742 3.787 1.00 10.00 C ATOM 850 O ALA A 56 -7.921 7.938 3.969 1.00 10.00 O ATOM 851 CB ALA A 56 -10.445 5.809 3.736 1.00 10.00 C ATOM 0 H ALA A 56 -9.316 4.328 2.144 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.570 7.117 2.296 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.770 6.621 4.387 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.263 5.526 3.073 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.157 4.951 4.343 1.00 10.00 H new ATOM 857 N ASN A 57 -7.297 5.812 4.319 1.00 10.00 N ATOM 858 CA ASN A 57 -6.141 6.157 5.140 1.00 10.00 C ATOM 859 C ASN A 57 -5.119 6.958 4.335 1.00 10.00 C ATOM 860 O ASN A 57 -4.742 8.057 4.732 1.00 10.00 O ATOM 861 CB ASN A 57 -5.508 4.898 5.753 1.00 10.00 C ATOM 862 CG ASN A 57 -5.984 4.712 7.188 1.00 10.00 C ATOM 863 OD1 ASN A 57 -6.958 3.839 7.415 1.00 10.00 O flip ATOM 864 ND2 ASN A 57 -5.474 5.353 8.099 1.00 10.00 N flip ATOM 0 H ASN A 57 -7.434 4.809 4.192 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.484 6.788 5.960 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.773 4.023 5.159 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.421 4.981 5.731 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -4.727 6.018 7.899 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -5.796 5.222 9.058 1.00 10.00 H new ATOM 871 N PHE A 58 -4.676 6.405 3.205 1.00 10.00 N ATOM 872 CA PHE A 58 -3.720 7.033 2.300 1.00 10.00 C ATOM 873 C PHE A 58 -4.128 8.478 2.006 1.00 10.00 C ATOM 874 O PHE A 58 -3.320 9.396 2.144 1.00 10.00 O ATOM 875 CB PHE A 58 -3.636 6.198 1.015 1.00 10.00 C ATOM 876 CG PHE A 58 -2.686 6.723 -0.043 1.00 10.00 C ATOM 877 CD1 PHE A 58 -3.162 7.549 -1.078 1.00 10.00 C ATOM 878 CD2 PHE A 58 -1.370 6.233 -0.104 1.00 10.00 C ATOM 879 CE1 PHE A 58 -2.300 7.953 -2.111 1.00 10.00 C ATOM 880 CE2 PHE A 58 -0.488 6.694 -1.095 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.953 7.555 -2.102 1.00 10.00 C ATOM 0 H PHE A 58 -4.982 5.485 2.888 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.735 7.067 2.765 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.333 5.185 1.280 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.634 6.129 0.581 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -4.192 7.873 -1.078 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.036 5.499 0.614 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.674 8.571 -2.914 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.547 6.386 -1.083 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.278 7.910 -2.867 1.00 10.00 H new ATOM 891 N GLU A 59 -5.390 8.673 1.619 1.00 10.00 N ATOM 892 CA GLU A 59 -5.932 9.985 1.292 1.00 10.00 C ATOM 893 C GLU A 59 -6.078 10.873 2.529 1.00 10.00 C ATOM 894 O GLU A 59 -5.750 12.054 2.479 1.00 10.00 O ATOM 895 CB GLU A 59 -7.283 9.802 0.609 1.00 10.00 C ATOM 896 CG GLU A 59 -7.115 9.148 -0.764 1.00 10.00 C ATOM 897 CD GLU A 59 -6.866 10.165 -1.882 1.00 10.00 C ATOM 898 OE1 GLU A 59 -7.871 10.773 -2.310 1.00 10.00 O ATOM 899 OE2 GLU A 59 -5.695 10.318 -2.302 1.00 10.00 O ATOM 0 H GLU A 59 -6.067 7.916 1.524 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.235 10.489 0.622 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.930 9.186 1.233 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.773 10.769 0.498 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -6.282 8.445 -0.727 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.009 8.570 -0.998 1.00 10.00 H new ATOM 906 N ALA A 60 -6.602 10.320 3.627 1.00 10.00 N ATOM 907 CA ALA A 60 -6.816 11.046 4.874 1.00 10.00 C ATOM 908 C ALA A 60 -5.503 11.640 5.364 1.00 10.00 C ATOM 909 O ALA A 60 -5.447 12.804 5.750 1.00 10.00 O ATOM 910 CB ALA A 60 -7.400 10.120 5.946 1.00 10.00 C ATOM 0 H ALA A 60 -6.892 9.343 3.671 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.526 11.851 4.685 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.552 10.681 6.868 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.355 9.722 5.602 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.709 9.297 6.132 1.00 10.00 H new ATOM 916 N VAL A 61 -4.449 10.823 5.350 1.00 10.00 N ATOM 917 CA VAL A 61 -3.105 11.293 5.615 1.00 10.00 C ATOM 918 C VAL A 61 -2.728 12.318 4.541 1.00 10.00 C ATOM 919 O VAL A 61 -2.309 13.429 4.859 1.00 10.00 O ATOM 920 CB VAL A 61 -2.147 10.094 5.655 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.698 10.573 5.797 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.497 9.167 6.832 1.00 10.00 C ATOM 0 H VAL A 61 -4.511 9.824 5.155 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.040 11.786 6.585 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.252 9.542 4.721 1.00 10.00 H new ATOM 0 HG11 VAL A 61 -0.031 9.711 5.824 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.439 11.206 4.948 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.592 11.143 6.720 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.809 8.322 6.847 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.413 9.720 7.768 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.518 8.802 6.717 1.00 10.00 H new ATOM 932 N GLY A 62 -2.894 11.945 3.272 1.00 10.00 N ATOM 933 CA GLY A 62 -2.524 12.790 2.155 1.00 10.00 C ATOM 934 C GLY A 62 -1.038 12.628 1.863 1.00 10.00 C ATOM 935 O GLY A 62 -0.287 12.103 2.685 1.00 10.00 O ATOM 0 H GLY A 62 -3.290 11.046 2.998 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.109 12.524 1.275 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.749 13.832 2.384 1.00 10.00 H new ATOM 939 N HIS A 63 -0.627 13.043 0.665 1.00 10.00 N ATOM 940 CA HIS A 63 0.707 12.816 0.145 1.00 10.00 C ATOM 941 C HIS A 63 0.965 13.813 -0.991 1.00 10.00 C ATOM 942 O HIS A 63 0.010 14.363 -1.542 1.00 10.00 O ATOM 943 CB HIS A 63 0.789 11.384 -0.396 1.00 10.00 C ATOM 944 CG HIS A 63 0.730 10.269 0.621 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.263 9.327 0.787 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.801 9.859 1.359 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.224 8.371 1.604 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.499 8.620 1.944 1.00 10.00 N ATOM 0 H HIS A 63 -1.230 13.556 0.022 1.00 10.00 H new ATOM 0 HA HIS A 63 1.452 12.952 0.929 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.027 11.241 -1.105 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.719 11.285 -0.956 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.193 9.349 0.369 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.729 10.399 1.474 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.340 7.514 1.942 1.00 10.00 H new ATOM 956 N SER A 64 2.234 14.030 -1.355 1.00 10.00 N ATOM 957 CA SER A 64 2.651 14.946 -2.418 1.00 10.00 C ATOM 958 C SER A 64 2.844 14.257 -3.777 1.00 10.00 C ATOM 959 O SER A 64 2.766 13.034 -3.899 1.00 10.00 O ATOM 960 CB SER A 64 3.917 15.697 -1.970 1.00 10.00 C ATOM 961 OG SER A 64 3.539 16.955 -1.452 1.00 10.00 O ATOM 0 H SER A 64 3.019 13.560 -0.905 1.00 10.00 H new ATOM 0 HA SER A 64 1.843 15.660 -2.579 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.449 15.121 -1.213 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.598 15.824 -2.811 1.00 10.00 H new ATOM 0 HG SER A 64 4.338 17.443 -1.161 1.00 10.00 H new ATOM 967 N THR A 65 3.110 15.065 -4.813 1.00 10.00 N ATOM 968 CA THR A 65 3.401 14.630 -6.175 1.00 10.00 C ATOM 969 C THR A 65 4.469 13.542 -6.178 1.00 10.00 C ATOM 970 O THR A 65 4.279 12.483 -6.770 1.00 10.00 O ATOM 971 CB THR A 65 3.873 15.835 -6.996 1.00 10.00 C ATOM 972 OG1 THR A 65 4.911 16.486 -6.287 1.00 10.00 O ATOM 973 CG2 THR A 65 2.732 16.832 -7.226 1.00 10.00 C ATOM 0 H THR A 65 3.128 16.080 -4.715 1.00 10.00 H new ATOM 0 HA THR A 65 2.496 14.215 -6.618 1.00 10.00 H new ATOM 0 HB THR A 65 4.222 15.480 -7.966 1.00 10.00 H new ATOM 0 HG1 THR A 65 5.224 17.259 -6.802 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.098 17.675 -7.811 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.922 16.340 -7.765 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.363 17.190 -6.265 1.00 10.00 H new ATOM 981 N ASP A 66 5.575 13.815 -5.484 1.00 10.00 N ATOM 982 CA ASP A 66 6.680 12.887 -5.301 1.00 10.00 C ATOM 983 C ASP A 66 6.155 11.516 -4.901 1.00 10.00 C ATOM 984 O ASP A 66 6.464 10.516 -5.530 1.00 10.00 O ATOM 985 CB ASP A 66 7.627 13.428 -4.225 1.00 10.00 C ATOM 986 CG ASP A 66 9.047 12.956 -4.485 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.334 11.800 -4.111 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.809 13.761 -5.061 1.00 10.00 O ATOM 0 H ASP A 66 5.726 14.713 -5.024 1.00 10.00 H new ATOM 0 HA ASP A 66 7.224 12.786 -6.240 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.595 14.517 -4.217 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.300 13.092 -3.241 1.00 10.00 H new ATOM 993 N ALA A 67 5.280 11.482 -3.895 1.00 10.00 N ATOM 994 CA ALA A 67 4.629 10.258 -3.450 1.00 10.00 C ATOM 995 C ALA A 67 3.771 9.667 -4.564 1.00 10.00 C ATOM 996 O ALA A 67 3.806 8.462 -4.799 1.00 10.00 O ATOM 997 CB ALA A 67 3.741 10.530 -2.240 1.00 10.00 C ATOM 0 H ALA A 67 5.004 12.309 -3.366 1.00 10.00 H new ATOM 0 HA ALA A 67 5.411 9.550 -3.178 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.264 9.603 -1.923 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.348 10.923 -1.424 1.00 10.00 H new ATOM 0 HB3 ALA A 67 2.976 11.259 -2.507 1.00 10.00 H new ATOM 1003 N ARG A 68 2.973 10.518 -5.217 1.00 10.00 N ATOM 1004 CA ARG A 68 2.066 10.119 -6.285 1.00 10.00 C ATOM 1005 C ARG A 68 2.859 9.390 -7.400 1.00 10.00 C ATOM 1006 O ARG A 68 2.337 8.480 -8.043 1.00 10.00 O ATOM 1007 CB ARG A 68 1.335 11.344 -6.871 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.196 11.210 -6.847 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.751 11.539 -5.450 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.221 11.421 -5.373 1.00 10.00 N ATOM 1011 CZ ARG A 68 -3.109 12.333 -5.803 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -2.679 13.420 -6.456 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.418 12.153 -5.582 1.00 10.00 N ATOM 0 H ARG A 68 2.943 11.517 -5.012 1.00 10.00 H new ATOM 0 HA ARG A 68 1.319 9.442 -5.871 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.623 12.233 -6.310 1.00 10.00 H new ATOM 0 HB3 ARG A 68 1.663 11.496 -7.899 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.636 11.880 -7.585 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.481 10.196 -7.127 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.299 10.869 -4.718 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.458 12.553 -5.178 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.596 10.570 -4.955 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -1.682 13.552 -6.625 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -3.349 14.116 -6.785 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.742 11.322 -5.086 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -5.091 12.847 -5.909 1.00 10.00 H new ATOM 1027 N GLU A 69 4.101 9.835 -7.648 1.00 10.00 N ATOM 1028 CA GLU A 69 5.022 9.334 -8.674 1.00 10.00 C ATOM 1029 C GLU A 69 5.861 8.163 -8.142 1.00 10.00 C ATOM 1030 O GLU A 69 6.187 7.222 -8.858 1.00 10.00 O ATOM 1031 CB GLU A 69 5.921 10.491 -9.139 1.00 10.00 C ATOM 1032 CG GLU A 69 5.342 11.255 -10.344 1.00 10.00 C ATOM 1033 CD GLU A 69 5.932 10.784 -11.670 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.955 9.552 -11.877 1.00 10.00 O ATOM 1035 OE2 GLU A 69 6.339 11.667 -12.455 1.00 10.00 O ATOM 0 H GLU A 69 4.510 10.597 -7.106 1.00 10.00 H new ATOM 0 HA GLU A 69 4.449 8.956 -9.521 1.00 10.00 H new ATOM 0 HB2 GLU A 69 6.067 11.185 -8.312 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.903 10.098 -9.403 1.00 10.00 H new ATOM 0 HG2 GLU A 69 4.260 11.128 -10.365 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.535 12.321 -10.222 1.00 10.00 H new ATOM 1042 N LEU A 70 6.217 8.195 -6.863 1.00 10.00 N ATOM 1043 CA LEU A 70 6.977 7.141 -6.220 1.00 10.00 C ATOM 1044 C LEU A 70 6.104 5.891 -6.174 1.00 10.00 C ATOM 1045 O LEU A 70 6.491 4.832 -6.656 1.00 10.00 O ATOM 1046 CB LEU A 70 7.443 7.642 -4.845 1.00 10.00 C ATOM 1047 CG LEU A 70 8.238 6.698 -3.929 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.766 5.471 -4.646 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.380 7.426 -3.220 1.00 10.00 C ATOM 0 H LEU A 70 5.980 8.966 -6.239 1.00 10.00 H new ATOM 0 HA LEU A 70 7.880 6.875 -6.769 1.00 10.00 H new ATOM 0 HB2 LEU A 70 8.054 8.530 -5.010 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.557 7.962 -4.296 1.00 10.00 H new ATOM 0 HG LEU A 70 7.524 6.351 -3.182 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.317 4.847 -3.942 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.932 4.903 -5.058 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.429 5.779 -5.454 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.918 6.725 -2.582 1.00 10.00 H new ATOM 0 HD22 LEU A 70 10.063 7.840 -3.961 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.974 8.233 -2.610 1.00 10.00 H new ATOM 1061 N SER A 71 4.898 6.018 -5.631 1.00 10.00 N ATOM 1062 CA SER A 71 3.893 4.966 -5.624 1.00 10.00 C ATOM 1063 C SER A 71 3.824 4.263 -6.981 1.00 10.00 C ATOM 1064 O SER A 71 3.828 3.039 -7.030 1.00 10.00 O ATOM 1065 CB SER A 71 2.546 5.541 -5.188 1.00 10.00 C ATOM 1066 OG SER A 71 1.977 6.346 -6.194 1.00 10.00 O ATOM 0 H SER A 71 4.587 6.875 -5.174 1.00 10.00 H new ATOM 0 HA SER A 71 4.175 4.202 -4.900 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.864 4.727 -4.943 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.678 6.130 -4.280 1.00 10.00 H new ATOM 0 HG SER A 71 2.678 6.882 -6.620 1.00 10.00 H new ATOM 1072 N LYS A 72 3.801 5.008 -8.089 1.00 10.00 N ATOM 1073 CA LYS A 72 3.849 4.432 -9.430 1.00 10.00 C ATOM 1074 C LYS A 72 4.989 3.410 -9.599 1.00 10.00 C ATOM 1075 O LYS A 72 4.768 2.339 -10.152 1.00 10.00 O ATOM 1076 CB LYS A 72 3.892 5.548 -10.480 1.00 10.00 C ATOM 1077 CG LYS A 72 2.497 6.115 -10.761 1.00 10.00 C ATOM 1078 CD LYS A 72 1.889 5.315 -11.919 1.00 10.00 C ATOM 1079 CE LYS A 72 0.501 5.829 -12.303 1.00 10.00 C ATOM 1080 NZ LYS A 72 0.038 5.200 -13.559 1.00 10.00 N ATOM 0 H LYS A 72 3.749 6.027 -8.079 1.00 10.00 H new ATOM 0 HA LYS A 72 2.934 3.861 -9.584 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.547 6.348 -10.135 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.321 5.162 -11.405 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.868 6.040 -9.874 1.00 10.00 H new ATOM 0 HG3 LYS A 72 2.559 7.172 -11.019 1.00 10.00 H new ATOM 0 HD2 LYS A 72 2.549 5.372 -12.785 1.00 10.00 H new ATOM 0 HD3 LYS A 72 1.822 4.264 -11.638 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.206 5.615 -11.501 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.529 6.912 -12.422 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -0.906 5.563 -13.802 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 0.703 5.426 -14.326 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.009 4.169 -13.434 1.00 10.00 H new ATOM 1094 N THR A 73 6.180 3.689 -9.072 1.00 10.00 N ATOM 1095 CA THR A 73 7.327 2.779 -9.073 1.00 10.00 C ATOM 1096 C THR A 73 7.117 1.549 -8.166 1.00 10.00 C ATOM 1097 O THR A 73 7.859 0.578 -8.287 1.00 10.00 O ATOM 1098 CB THR A 73 8.605 3.590 -8.747 1.00 10.00 C ATOM 1099 OG1 THR A 73 9.026 4.269 -9.912 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.789 2.788 -8.198 1.00 10.00 C ATOM 0 H THR A 73 6.381 4.581 -8.619 1.00 10.00 H new ATOM 0 HA THR A 73 7.444 2.346 -10.067 1.00 10.00 H new ATOM 0 HB THR A 73 8.313 4.264 -7.942 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.834 4.787 -9.715 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.626 3.460 -8.007 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.497 2.298 -7.269 1.00 10.00 H new ATOM 0 HG23 THR A 73 10.087 2.035 -8.927 1.00 10.00 H new ATOM 1108 N PHE A 74 6.103 1.554 -7.294 1.00 10.00 N ATOM 1109 CA PHE A 74 5.735 0.432 -6.433 1.00 10.00 C ATOM 1110 C PHE A 74 4.425 -0.209 -6.890 1.00 10.00 C ATOM 1111 O PHE A 74 3.998 -1.213 -6.316 1.00 10.00 O ATOM 1112 CB PHE A 74 5.590 0.912 -4.981 1.00 10.00 C ATOM 1113 CG PHE A 74 6.894 1.231 -4.279 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.873 0.228 -4.156 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.076 2.468 -3.631 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.064 0.485 -3.458 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.238 2.698 -2.873 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.246 1.720 -2.817 1.00 10.00 C ATOM 0 H PHE A 74 5.499 2.366 -7.166 1.00 10.00 H new ATOM 0 HA PHE A 74 6.526 -0.315 -6.497 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.961 1.802 -4.970 1.00 10.00 H new ATOM 0 HB3 PHE A 74 5.066 0.145 -4.411 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.708 -0.743 -4.600 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.324 3.239 -3.716 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.839 -0.266 -3.415 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.356 3.626 -2.334 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.162 1.919 -2.280 1.00 10.00 H new ATOM 1128 N ILE A 75 3.755 0.379 -7.885 1.00 10.00 N ATOM 1129 CA ILE A 75 2.493 -0.142 -8.370 1.00 10.00 C ATOM 1130 C ILE A 75 2.760 -1.499 -9.019 1.00 10.00 C ATOM 1131 O ILE A 75 3.670 -1.625 -9.835 1.00 10.00 O ATOM 1132 CB ILE A 75 1.822 0.897 -9.293 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.323 1.037 -8.998 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.081 0.676 -10.793 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.514 -0.024 -9.678 1.00 10.00 C ATOM 0 H ILE A 75 4.075 1.219 -8.366 1.00 10.00 H new ATOM 0 HA ILE A 75 1.778 -0.311 -7.565 1.00 10.00 H new ATOM 0 HB ILE A 75 2.309 1.842 -9.052 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.164 0.983 -7.921 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.015 2.021 -9.321 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.573 1.450 -11.368 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.152 0.723 -10.988 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.701 -0.302 -11.088 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.565 0.128 -9.431 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.381 0.044 -10.758 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.200 -1.010 -9.336 1.00 10.00 H new ATOM 1147 N ILE A 76 1.988 -2.518 -8.640 1.00 10.00 N ATOM 1148 CA ILE A 76 2.131 -3.863 -9.194 1.00 10.00 C ATOM 1149 C ILE A 76 1.007 -4.168 -10.177 1.00 10.00 C ATOM 1150 O ILE A 76 1.208 -4.890 -11.151 1.00 10.00 O ATOM 1151 CB ILE A 76 2.224 -4.913 -8.075 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.234 -4.616 -6.934 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.676 -4.963 -7.586 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.089 -5.763 -5.935 1.00 10.00 C ATOM 0 H ILE A 76 1.248 -2.434 -7.943 1.00 10.00 H new ATOM 0 HA ILE A 76 3.066 -3.908 -9.752 1.00 10.00 H new ATOM 0 HB ILE A 76 1.941 -5.892 -8.461 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.562 -3.722 -6.403 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.257 -4.392 -7.361 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.767 -5.702 -6.790 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.329 -5.239 -8.414 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.966 -3.983 -7.206 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.376 -5.482 -5.160 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.731 -6.653 -6.452 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.057 -5.973 -5.479 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.180 -3.617 -9.938 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.324 -3.817 -10.795 1.00 10.00 C ATOM 1168 C GLY A 77 -2.508 -3.141 -10.144 1.00 10.00 C ATOM 1169 O GLY A 77 -2.343 -2.351 -9.217 1.00 10.00 O ATOM 0 H GLY A 77 -0.367 -3.016 -9.135 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -1.140 -3.397 -11.784 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.518 -4.881 -10.932 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.697 -3.486 -10.612 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.934 -2.872 -10.198 1.00 10.00 C ATOM 1175 C GLU A 78 -5.805 -3.898 -9.474 1.00 10.00 C ATOM 1176 O GLU A 78 -5.508 -5.094 -9.421 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.611 -2.184 -11.403 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.545 -0.646 -11.411 1.00 10.00 C ATOM 1179 CD GLU A 78 -4.649 -0.065 -12.497 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -3.485 -0.509 -12.577 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.118 0.876 -13.171 1.00 10.00 O ATOM 0 H GLU A 78 -3.824 -4.221 -11.308 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.751 -2.078 -9.474 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.149 -2.555 -12.318 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.658 -2.486 -11.430 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.553 -0.251 -11.537 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.188 -0.304 -10.440 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.883 -3.398 -8.889 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.858 -4.189 -8.172 1.00 10.00 C ATOM 1190 C LEU A 79 -8.655 -5.013 -9.175 1.00 10.00 C ATOM 1191 O LEU A 79 -9.104 -4.479 -10.190 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.774 -3.234 -7.407 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.944 -3.944 -6.720 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.462 -4.657 -5.463 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.032 -2.926 -6.389 1.00 10.00 C ATOM 0 H LEU A 79 -7.105 -2.403 -8.903 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.376 -4.868 -7.469 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.189 -2.702 -6.657 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.165 -2.485 -8.096 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.360 -4.694 -7.392 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.303 -5.158 -4.984 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.705 -5.394 -5.731 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.032 -3.930 -4.774 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.865 -3.430 -5.900 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.627 -2.164 -5.723 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.382 -2.455 -7.308 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.862 -6.293 -8.881 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.608 -7.198 -9.745 1.00 10.00 C ATOM 1209 C HIS A 80 -11.004 -6.666 -10.083 1.00 10.00 C ATOM 1210 O HIS A 80 -11.692 -6.124 -9.217 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.670 -8.581 -9.097 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.764 -9.714 -10.081 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.897 -10.409 -10.416 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.725 -10.258 -10.787 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.557 -11.331 -11.328 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.242 -11.272 -11.596 1.00 10.00 N ATOM 0 H HIS A 80 -8.513 -6.733 -8.030 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.082 -7.274 -10.697 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.783 -8.722 -8.480 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.531 -8.620 -8.430 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.690 -9.957 -10.729 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.246 -12.026 -11.785 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.725 -11.851 -12.257 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.460 -6.841 -11.333 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.788 -6.420 -11.733 1.00 10.00 C ATOM 1226 C PRO A 81 -13.905 -7.263 -11.099 1.00 10.00 C ATOM 1227 O PRO A 81 -15.071 -6.935 -11.281 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.800 -6.455 -13.261 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.709 -7.462 -13.619 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.722 -7.383 -12.461 1.00 10.00 C ATOM 0 HA PRO A 81 -13.000 -5.414 -11.370 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.771 -6.766 -13.645 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.590 -5.473 -13.684 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.116 -8.467 -13.725 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.231 -7.210 -14.566 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.320 -8.368 -12.225 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.875 -6.745 -12.714 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.556 -8.324 -10.359 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.498 -9.136 -9.590 1.00 10.00 C ATOM 1240 C ASP A 82 -14.770 -8.528 -8.205 1.00 10.00 C ATOM 1241 O ASP A 82 -15.794 -8.811 -7.591 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.937 -10.558 -9.458 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.976 -11.559 -8.976 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.004 -11.690 -9.672 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.675 -12.231 -7.966 1.00 10.00 O ATOM 0 H ASP A 82 -12.591 -8.645 -10.279 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.451 -9.164 -10.118 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.548 -10.881 -10.424 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.097 -10.549 -8.763 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.835 -7.712 -7.697 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.982 -7.032 -6.413 1.00 10.00 C ATOM 1252 C ASP A 83 -14.951 -5.853 -6.563 1.00 10.00 C ATOM 1253 O ASP A 83 -15.917 -5.732 -5.809 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.592 -6.599 -5.924 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.608 -5.727 -4.673 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.335 -4.715 -4.653 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -11.810 -6.052 -3.774 1.00 10.00 O ATOM 0 H ASP A 83 -12.955 -7.508 -8.171 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.408 -7.698 -5.663 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.997 -7.490 -5.724 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.092 -6.055 -6.725 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.655 -4.987 -7.538 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.404 -3.760 -7.790 1.00 10.00 C ATOM 1264 C ARG A 84 -16.839 -4.024 -8.256 1.00 10.00 C ATOM 1265 O ARG A 84 -17.115 -5.157 -8.706 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.664 -2.903 -8.826 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.698 -3.557 -10.213 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.787 -2.837 -11.214 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.367 -2.886 -10.815 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.409 -2.103 -11.339 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.709 -1.268 -12.340 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.157 -2.153 -10.879 1.00 10.00 N ATOM 0 H ARG A 84 -13.876 -5.125 -8.182 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.473 -3.226 -6.842 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.120 -1.914 -8.876 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.630 -2.762 -8.513 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.391 -4.599 -10.129 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.721 -3.555 -10.589 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.901 -3.292 -12.198 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -14.101 -1.797 -11.305 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.096 -3.557 -10.096 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.662 -1.228 -12.702 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.985 -0.672 -12.741 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.918 -2.791 -10.120 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.440 -1.553 -11.286 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.805 7.404 2.835 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.048 10.148 4.503 1.00 10.00 C HETATM 1289 CHB HEM A 201 4.959 7.957 0.177 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.497 4.607 1.170 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.624 6.767 5.511 1.00 10.00 C HETATM 1292 NA HEM A 201 4.278 8.762 2.437 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.557 9.839 3.230 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.433 10.705 2.474 1.00 10.00 C HETATM 1295 C3A HEM A 201 5.767 10.045 1.309 1.00 10.00 C HETATM 1296 C4A HEM A 201 4.987 8.832 1.267 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.673 10.539 0.204 1.00 10.00 C HETATM 1298 CAA HEM A 201 5.772 12.129 2.859 1.00 10.00 C HETATM 1299 CBA HEM A 201 4.548 13.060 2.887 1.00 10.00 C HETATM 1300 CGA HEM A 201 4.395 13.855 1.592 1.00 10.00 C HETATM 1301 O1A HEM A 201 3.991 13.244 0.577 1.00 10.00 O HETATM 1302 O2A HEM A 201 4.696 15.067 1.630 1.00 10.00 O HETATM 1303 NB HEM A 201 3.162 6.455 1.024 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.094 6.866 0.097 1.00 10.00 C HETATM 1305 C2B HEM A 201 4.033 5.954 -1.024 1.00 10.00 C HETATM 1306 C3B HEM A 201 3.050 5.046 -0.728 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.508 5.341 0.570 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.930 5.949 -2.232 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.601 3.906 -1.616 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.600 4.047 -2.500 1.00 10.00 C HETATM 1311 NC HEM A 201 1.305 5.971 3.245 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.951 4.931 2.408 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.147 4.221 3.025 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.371 4.843 4.226 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.546 5.942 4.385 1.00 10.00 C HETATM 1316 CMC HEM A 201 -0.976 3.108 2.429 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.457 4.463 5.205 1.00 10.00 C HETATM 1318 CBC HEM A 201 -1.445 3.236 5.765 1.00 10.00 C HETATM 1319 ND HEM A 201 2.415 8.295 4.691 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.526 7.830 5.622 1.00 10.00 C HETATM 1321 C2D HEM A 201 1.750 8.583 6.832 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.669 9.568 6.543 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.099 9.368 5.175 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.150 8.276 8.184 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.197 10.600 7.518 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.252 11.786 7.748 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.856 13.099 7.269 1.00 10.00 C HETATM 1328 O1D HEM A 201 2.864 14.048 8.081 1.00 10.00 O HETATM 1329 O2D HEM A 201 3.308 13.121 6.104 1.00 10.00 O HETATM 0 HMA1 HEM A 201 6.711 11.628 0.224 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 6.286 10.207 -0.759 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 7.676 10.139 0.350 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.026 4.931 -2.610 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 5.914 6.328 -1.956 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 4.501 6.584 -3.007 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.323 2.447 3.223 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.369 2.540 1.724 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -1.835 3.532 1.909 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 0.179 7.799 8.051 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.026 9.202 8.746 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 1.812 7.605 8.732 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 1.302 3.205 -3.125 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 1.086 5.004 -2.593 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.224 2.952 6.473 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -0.656 2.528 5.510 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 4.638 13.750 3.726 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 3.648 12.469 3.056 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 6.504 12.524 2.155 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.243 12.130 3.842 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 2.017 11.861 8.810 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 1.312 11.607 7.225 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.152 10.976 7.151 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.392 10.114 8.474 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.410 11.040 4.992 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.640 8.134 -0.642 1.00 10.00 H new HETATM 0 HHC HEM A 201 1.114 3.741 0.651 1.00 10.00 H new HETATM 0 HHD HEM A 201 -0.046 6.574 6.336 1.00 10.00 H new HETATM 0 HAB HEM A 201 3.105 2.943 -1.536 1.00 10.00 H new HETATM 0 HAC HEM A 201 -2.244 5.174 5.457 1.00 10.00 H new