USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=24 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= 0.951 K(o=2,f=-1.6) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.383 K(o=2,f=-1.6!) USER MOD Set 1.3: A 61 HIS : no HE2:sc= 1.01 K(o=2,f=-3.1!) USER MOD Set 1.4: A 201 HEM CMD :methyl -30:sc= -0.331 (180deg=-1.28) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -1.03 K(o=-1,f=-2.1) USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 20 SER OG : rot -89:sc= 2.28 USER MOD Set 3.2: A 21 THR OG1 : rot 75:sc= 0.766 USER MOD Set 3.3: A 33 THR OG1 : rot 122:sc= 2.25 USER MOD Set 4.1: A 13 GLN : amide:sc= 0.633 K(o=1.2,f=-6.6) USER MOD Set 4.2: A 16 ASN : amide:sc= 0.612 K(o=1.2,f=-3.8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 6:sc= 1.26 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0841 USER MOD Single : A 14 LYS NZ :NH3+ -123:sc= 0.902 (180deg=-3.65!) USER MOD Single : A 15 HIS : no HE2:sc= 0.344 K(o=0.34,f=-3.9!) USER MOD Single : A 17 ASN : amide:sc= -0.445 K(o=-0.44,f=-1.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= 1.25 (180deg=1.23) USER MOD Single : A 27 TYR OH : rot 180:sc=-0.00186 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 1.22 (180deg=1.19) USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0219) USER MOD Single : A 55 THR OG1 : rot 50:sc= 1.09 USER MOD Single : A 64 SER OG : rot 67:sc= 1.02 USER MOD Single : A 65 THR OG1 : rot 87:sc= 1.29 USER MOD Single : A 71 SER OG : rot -60:sc= 0.826 USER MOD Single : A 72 LYS NZ :NH3+ -130:sc= 0.307 (180deg=-3.22!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 80 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1.1) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -1.7 (180deg=-1.7) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -2.03 (180deg=-3.68!) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.798 (180deg=-0.798) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -5.180 20.627 3.938 1.00 10.00 N ATOM 2 CA ALA A 3 -6.079 20.195 2.854 1.00 10.00 C ATOM 3 C ALA A 3 -5.573 18.845 2.356 1.00 10.00 C ATOM 4 O ALA A 3 -4.477 18.465 2.758 1.00 10.00 O ATOM 5 CB ALA A 3 -7.537 20.143 3.329 1.00 10.00 C ATOM 0 HA ALA A 3 -6.070 20.911 2.032 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -8.176 19.821 2.507 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -7.626 19.438 4.155 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -7.846 21.133 3.663 1.00 10.00 H new ATOM 13 N VAL A 4 -6.336 18.153 1.509 1.00 10.00 N ATOM 14 CA VAL A 4 -5.988 16.872 0.913 1.00 10.00 C ATOM 15 C VAL A 4 -6.643 16.828 -0.472 1.00 10.00 C ATOM 16 O VAL A 4 -7.347 17.766 -0.842 1.00 10.00 O ATOM 17 CB VAL A 4 -6.439 15.698 1.810 1.00 10.00 C ATOM 18 CG1 VAL A 4 -5.595 15.547 3.079 1.00 10.00 C ATOM 19 CG2 VAL A 4 -7.918 15.784 2.210 1.00 10.00 C ATOM 0 H VAL A 4 -7.252 18.488 1.210 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.907 16.769 0.815 1.00 10.00 H new ATOM 0 HB VAL A 4 -6.291 14.817 1.185 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.965 14.705 3.664 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.555 15.370 2.805 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.664 16.459 3.672 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -8.175 14.932 2.839 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -8.093 16.708 2.761 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.538 15.773 1.314 1.00 10.00 H new ATOM 29 N LYS A 5 -6.407 15.751 -1.226 1.00 10.00 N ATOM 30 CA LYS A 5 -7.043 15.480 -2.511 1.00 10.00 C ATOM 31 C LYS A 5 -8.124 14.440 -2.254 1.00 10.00 C ATOM 32 O LYS A 5 -9.295 14.638 -2.559 1.00 10.00 O ATOM 33 CB LYS A 5 -6.002 14.934 -3.500 1.00 10.00 C ATOM 34 CG LYS A 5 -5.061 16.036 -4.000 1.00 10.00 C ATOM 35 CD LYS A 5 -3.877 15.468 -4.800 1.00 10.00 C ATOM 36 CE LYS A 5 -4.264 14.466 -5.899 1.00 10.00 C ATOM 37 NZ LYS A 5 -5.260 15.009 -6.847 1.00 10.00 N ATOM 0 H LYS A 5 -5.748 15.024 -0.948 1.00 10.00 H new ATOM 0 HA LYS A 5 -7.471 16.385 -2.942 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -5.419 14.149 -3.018 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -6.511 14.478 -4.349 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -5.619 16.732 -4.625 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.684 16.603 -3.149 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -3.335 16.296 -5.257 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -3.190 14.980 -4.109 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -3.369 14.173 -6.448 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -4.664 13.564 -5.437 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -5.483 14.291 -7.565 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -6.127 15.264 -6.332 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -4.872 15.855 -7.312 1.00 10.00 H new ATOM 51 N TYR A 6 -7.666 13.337 -1.666 1.00 10.00 N ATOM 52 CA TYR A 6 -8.411 12.134 -1.385 1.00 10.00 C ATOM 53 C TYR A 6 -8.691 11.320 -2.620 1.00 10.00 C ATOM 54 O TYR A 6 -8.683 11.795 -3.754 1.00 10.00 O ATOM 55 CB TYR A 6 -9.691 12.341 -0.573 1.00 10.00 C ATOM 56 CG TYR A 6 -9.555 12.931 0.800 1.00 10.00 C ATOM 57 CD1 TYR A 6 -8.315 12.808 1.436 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.719 13.054 1.580 1.00 10.00 C ATOM 59 CE1 TYR A 6 -8.259 12.577 2.804 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.654 12.852 2.969 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.429 12.542 3.577 1.00 10.00 C ATOM 62 OH TYR A 6 -9.399 12.168 4.886 1.00 10.00 O ATOM 0 H TYR A 6 -6.697 13.266 -1.356 1.00 10.00 H new ATOM 0 HA TYR A 6 -7.739 11.565 -0.742 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.355 12.984 -1.151 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.187 11.375 -0.476 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -7.403 12.893 0.864 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -11.660 13.303 1.113 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -7.302 12.422 3.279 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -11.548 12.936 3.569 1.00 10.00 H new ATOM 0 HH TYR A 6 -8.469 12.043 5.169 1.00 10.00 H new ATOM 72 N TYR A 7 -8.832 10.040 -2.321 1.00 10.00 N ATOM 73 CA TYR A 7 -8.658 8.968 -3.246 1.00 10.00 C ATOM 74 C TYR A 7 -9.716 7.924 -2.928 1.00 10.00 C ATOM 75 O TYR A 7 -9.855 7.450 -1.805 1.00 10.00 O ATOM 76 CB TYR A 7 -7.217 8.508 -3.034 1.00 10.00 C ATOM 77 CG TYR A 7 -6.135 9.095 -3.943 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.423 9.990 -5.001 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.791 8.887 -3.585 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.396 10.716 -5.625 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.770 9.647 -4.182 1.00 10.00 C ATOM 82 CZ TYR A 7 -4.066 10.530 -5.228 1.00 10.00 C ATOM 83 OH TYR A 7 -3.066 11.195 -5.873 1.00 10.00 O ATOM 0 H TYR A 7 -9.081 9.722 -1.385 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.790 9.218 -4.299 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.944 8.731 -2.003 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.193 7.424 -3.143 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.443 10.116 -5.332 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.542 8.139 -2.847 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.632 11.418 -6.411 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.753 9.549 -3.832 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.203 10.955 -5.474 1.00 10.00 H new ATOM 93 N THR A 8 -10.529 7.644 -3.930 1.00 10.00 N ATOM 94 CA THR A 8 -11.695 6.796 -3.814 1.00 10.00 C ATOM 95 C THR A 8 -11.261 5.348 -4.010 1.00 10.00 C ATOM 96 O THR A 8 -10.253 5.086 -4.667 1.00 10.00 O ATOM 97 CB THR A 8 -12.705 7.219 -4.886 1.00 10.00 C ATOM 98 OG1 THR A 8 -12.018 7.377 -6.116 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.368 8.548 -4.514 1.00 10.00 C ATOM 0 H THR A 8 -10.390 8.011 -4.871 1.00 10.00 H new ATOM 0 HA THR A 8 -12.161 6.891 -2.833 1.00 10.00 H new ATOM 0 HB THR A 8 -13.478 6.454 -4.967 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.652 7.646 -6.813 1.00 10.00 H new ATOM 0 HG21 THR A 8 -14.081 8.829 -5.289 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.890 8.441 -3.563 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.606 9.322 -4.425 1.00 10.00 H new ATOM 107 N LEU A 9 -12.027 4.393 -3.484 1.00 10.00 N ATOM 108 CA LEU A 9 -11.763 2.980 -3.714 1.00 10.00 C ATOM 109 C LEU A 9 -11.677 2.677 -5.205 1.00 10.00 C ATOM 110 O LEU A 9 -10.833 1.886 -5.605 1.00 10.00 O ATOM 111 CB LEU A 9 -12.748 2.116 -2.930 1.00 10.00 C ATOM 112 CG LEU A 9 -12.896 0.652 -3.385 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.318 -0.205 -2.186 1.00 10.00 C ATOM 114 CD2 LEU A 9 -13.957 0.485 -4.484 1.00 10.00 C ATOM 0 H LEU A 9 -12.838 4.577 -2.894 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.780 2.717 -3.322 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.445 2.118 -1.883 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.729 2.589 -2.979 1.00 10.00 H new ATOM 0 HG LEU A 9 -11.932 0.339 -3.787 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.425 -1.243 -2.500 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.559 -0.138 -1.406 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.270 0.156 -1.798 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.023 -0.565 -4.770 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -14.924 0.820 -4.110 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.678 1.081 -5.353 1.00 10.00 H new ATOM 126 N GLU A 10 -12.483 3.357 -6.028 1.00 10.00 N ATOM 127 CA GLU A 10 -12.334 3.367 -7.479 1.00 10.00 C ATOM 128 C GLU A 10 -10.862 3.523 -7.863 1.00 10.00 C ATOM 129 O GLU A 10 -10.257 2.611 -8.426 1.00 10.00 O ATOM 130 CB GLU A 10 -13.197 4.508 -8.047 1.00 10.00 C ATOM 131 CG GLU A 10 -12.929 4.958 -9.497 1.00 10.00 C ATOM 132 CD GLU A 10 -12.929 3.862 -10.554 1.00 10.00 C ATOM 133 OE1 GLU A 10 -13.123 2.671 -10.226 1.00 10.00 O ATOM 134 OE2 GLU A 10 -12.638 4.179 -11.729 1.00 10.00 O ATOM 0 H GLU A 10 -13.265 3.921 -5.696 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.673 2.422 -7.902 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.242 4.204 -7.978 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -13.074 5.376 -7.399 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.682 5.697 -9.771 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -11.963 5.461 -9.526 1.00 10.00 H new ATOM 141 N GLU A 11 -10.293 4.680 -7.518 1.00 10.00 N ATOM 142 CA GLU A 11 -8.916 5.029 -7.849 1.00 10.00 C ATOM 143 C GLU A 11 -7.970 4.001 -7.239 1.00 10.00 C ATOM 144 O GLU A 11 -6.995 3.566 -7.849 1.00 10.00 O ATOM 145 CB GLU A 11 -8.557 6.420 -7.297 1.00 10.00 C ATOM 146 CG GLU A 11 -7.412 7.089 -8.062 1.00 10.00 C ATOM 147 CD GLU A 11 -7.804 7.506 -9.474 1.00 10.00 C ATOM 148 OE1 GLU A 11 -8.286 8.652 -9.603 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.614 6.679 -10.393 1.00 10.00 O ATOM 0 H GLU A 11 -10.783 5.406 -6.996 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.817 5.040 -8.934 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -9.438 7.060 -7.339 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -8.280 6.328 -6.247 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -7.077 7.967 -7.509 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -6.567 6.403 -8.113 1.00 10.00 H new ATOM 156 N ILE A 12 -8.241 3.631 -5.989 1.00 10.00 N ATOM 157 CA ILE A 12 -7.303 2.835 -5.237 1.00 10.00 C ATOM 158 C ILE A 12 -7.199 1.459 -5.884 1.00 10.00 C ATOM 159 O ILE A 12 -6.096 0.963 -6.103 1.00 10.00 O ATOM 160 CB ILE A 12 -7.675 2.845 -3.743 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.561 4.262 -3.151 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.761 1.929 -2.938 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.433 4.458 -1.914 1.00 10.00 C ATOM 0 H ILE A 12 -9.097 3.872 -5.489 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.298 3.255 -5.267 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.705 2.493 -3.678 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.521 4.460 -2.892 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.845 4.992 -3.909 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.050 1.959 -1.887 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.850 0.908 -3.310 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.729 2.264 -3.040 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.312 5.475 -1.541 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.478 4.290 -2.175 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.133 3.750 -1.142 1.00 10.00 H new ATOM 175 N GLN A 13 -8.343 0.895 -6.271 1.00 10.00 N ATOM 176 CA GLN A 13 -8.399 -0.359 -7.000 1.00 10.00 C ATOM 177 C GLN A 13 -7.694 -0.189 -8.335 1.00 10.00 C ATOM 178 O GLN A 13 -6.854 -0.994 -8.715 1.00 10.00 O ATOM 179 CB GLN A 13 -9.859 -0.761 -7.258 1.00 10.00 C ATOM 180 CG GLN A 13 -10.422 -1.560 -6.084 1.00 10.00 C ATOM 181 CD GLN A 13 -10.102 -3.055 -6.200 1.00 10.00 C ATOM 182 OE1 GLN A 13 -9.107 -3.397 -6.884 1.00 10.00 O ATOM 183 NE2 GLN A 13 -10.907 -3.841 -5.653 1.00 10.00 N ATOM 0 H GLN A 13 -9.259 1.303 -6.083 1.00 10.00 H new ATOM 0 HA GLN A 13 -7.913 -1.135 -6.409 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.463 0.132 -7.418 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -9.921 -1.355 -8.170 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.011 -1.173 -5.152 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.502 -1.423 -6.037 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -11.691 -3.474 -5.113 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -10.779 -4.849 -5.747 1.00 10.00 H new ATOM 190 N LYS A 14 -8.041 0.885 -9.050 1.00 10.00 N ATOM 191 CA LYS A 14 -7.413 1.246 -10.312 1.00 10.00 C ATOM 192 C LYS A 14 -5.892 1.072 -10.201 1.00 10.00 C ATOM 193 O LYS A 14 -5.247 0.440 -11.040 1.00 10.00 O ATOM 194 CB LYS A 14 -7.790 2.699 -10.640 1.00 10.00 C ATOM 195 CG LYS A 14 -8.015 2.964 -12.132 1.00 10.00 C ATOM 196 CD LYS A 14 -9.520 2.981 -12.457 1.00 10.00 C ATOM 197 CE LYS A 14 -10.257 1.689 -12.055 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.719 1.825 -12.216 1.00 10.00 N ATOM 0 H LYS A 14 -8.775 1.532 -8.761 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.761 0.599 -11.117 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.697 2.960 -10.095 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.000 3.358 -10.280 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -7.566 3.918 -12.409 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.518 2.194 -12.723 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.983 3.826 -11.947 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.649 3.144 -13.527 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -9.899 0.860 -12.665 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.026 1.445 -11.018 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.188 1.631 -11.308 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.946 2.792 -12.523 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.054 1.148 -12.931 1.00 10.00 H new ATOM 212 N HIS A 15 -5.330 1.586 -9.109 1.00 10.00 N ATOM 213 CA HIS A 15 -3.929 1.455 -8.763 1.00 10.00 C ATOM 214 C HIS A 15 -3.571 0.114 -8.088 1.00 10.00 C ATOM 215 O HIS A 15 -2.871 0.053 -7.078 1.00 10.00 O ATOM 216 CB HIS A 15 -3.555 2.660 -7.917 1.00 10.00 C ATOM 217 CG HIS A 15 -3.239 3.891 -8.726 1.00 10.00 C ATOM 218 ND1 HIS A 15 -1.970 4.319 -9.020 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.117 4.759 -9.318 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.071 5.425 -9.771 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.360 5.727 -9.992 1.00 10.00 N ATOM 0 H HIS A 15 -5.861 2.122 -8.422 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.337 1.437 -9.678 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.376 2.884 -7.236 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.691 2.408 -7.302 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.102 3.874 -8.720 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.195 4.707 -9.274 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.233 5.993 -10.146 1.00 10.00 H new ATOM 229 N ASN A 16 -3.944 -0.984 -8.736 1.00 10.00 N ATOM 230 CA ASN A 16 -3.369 -2.320 -8.525 1.00 10.00 C ATOM 231 C ASN A 16 -3.136 -3.042 -9.847 1.00 10.00 C ATOM 232 O ASN A 16 -3.122 -4.269 -9.910 1.00 10.00 O ATOM 233 CB ASN A 16 -4.177 -3.162 -7.526 1.00 10.00 C ATOM 234 CG ASN A 16 -5.596 -3.545 -7.954 1.00 10.00 C ATOM 235 OD1 ASN A 16 -5.919 -3.582 -9.139 1.00 10.00 O ATOM 236 ND2 ASN A 16 -6.441 -3.831 -6.964 1.00 10.00 N ATOM 0 H ASN A 16 -4.677 -0.975 -9.446 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.392 -2.176 -8.064 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.622 -4.078 -7.323 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.239 -2.612 -6.587 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -7.403 -4.095 -7.175 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -6.125 -3.786 -5.995 1.00 10.00 H new ATOM 243 N ASN A 17 -2.903 -2.256 -10.900 1.00 10.00 N ATOM 244 CA ASN A 17 -2.680 -2.744 -12.252 1.00 10.00 C ATOM 245 C ASN A 17 -1.197 -2.574 -12.585 1.00 10.00 C ATOM 246 O ASN A 17 -0.386 -3.442 -12.280 1.00 10.00 O ATOM 247 CB ASN A 17 -3.630 -2.001 -13.208 1.00 10.00 C ATOM 248 CG ASN A 17 -3.268 -2.220 -14.673 1.00 10.00 C ATOM 249 OD1 ASN A 17 -2.749 -1.312 -15.318 1.00 10.00 O ATOM 250 ND2 ASN A 17 -3.502 -3.419 -15.197 1.00 10.00 N ATOM 0 H ASN A 17 -2.864 -1.239 -10.829 1.00 10.00 H new ATOM 0 HA ASN A 17 -2.907 -3.805 -12.355 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -4.652 -2.338 -13.035 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -3.604 -0.934 -12.986 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -3.249 -3.610 -16.166 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -3.935 -4.148 -14.630 1.00 10.00 H new ATOM 257 N SER A 18 -0.835 -1.446 -13.196 1.00 10.00 N ATOM 258 CA SER A 18 0.524 -1.086 -13.552 1.00 10.00 C ATOM 259 C SER A 18 0.473 0.400 -13.900 1.00 10.00 C ATOM 260 O SER A 18 0.558 0.802 -15.061 1.00 10.00 O ATOM 261 CB SER A 18 1.033 -1.963 -14.707 1.00 10.00 C ATOM 262 OG SER A 18 2.416 -1.753 -14.918 1.00 10.00 O ATOM 0 H SER A 18 -1.514 -0.734 -13.464 1.00 10.00 H new ATOM 0 HA SER A 18 1.231 -1.257 -12.740 1.00 10.00 H new ATOM 0 HB2 SER A 18 0.849 -3.014 -14.482 1.00 10.00 H new ATOM 0 HB3 SER A 18 0.481 -1.731 -15.618 1.00 10.00 H new ATOM 0 HG SER A 18 2.724 -2.320 -15.656 1.00 10.00 H new ATOM 268 N LYS A 19 0.206 1.216 -12.880 1.00 10.00 N ATOM 269 CA LYS A 19 0.151 2.670 -12.956 1.00 10.00 C ATOM 270 C LYS A 19 1.088 3.179 -11.866 1.00 10.00 C ATOM 271 O LYS A 19 2.168 3.683 -12.158 1.00 10.00 O ATOM 272 CB LYS A 19 -1.301 3.144 -12.771 1.00 10.00 C ATOM 273 CG LYS A 19 -2.174 2.790 -13.984 1.00 10.00 C ATOM 274 CD LYS A 19 -1.960 3.769 -15.153 1.00 10.00 C ATOM 275 CE LYS A 19 -1.939 3.066 -16.519 1.00 10.00 C ATOM 276 NZ LYS A 19 -0.645 2.405 -16.791 1.00 10.00 N ATOM 0 H LYS A 19 0.015 0.864 -11.942 1.00 10.00 H new ATOM 0 HA LYS A 19 0.469 3.058 -13.924 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -1.721 2.688 -11.875 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -1.314 4.223 -12.616 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -1.944 1.777 -14.313 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -3.224 2.799 -13.691 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -2.754 4.516 -15.146 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -1.020 4.301 -15.008 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -2.738 2.325 -16.556 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -2.144 3.795 -17.303 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -0.791 1.615 -17.452 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 0.014 3.091 -17.211 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -0.246 2.043 -15.901 1.00 10.00 H new ATOM 290 N SER A 20 0.706 2.941 -10.613 1.00 10.00 N ATOM 291 CA SER A 20 1.594 2.787 -9.487 1.00 10.00 C ATOM 292 C SER A 20 0.741 2.052 -8.450 1.00 10.00 C ATOM 293 O SER A 20 -0.484 2.083 -8.552 1.00 10.00 O ATOM 294 CB SER A 20 2.166 4.129 -9.017 1.00 10.00 C ATOM 295 OG SER A 20 3.328 3.896 -8.248 1.00 10.00 O ATOM 0 H SER A 20 -0.276 2.848 -10.355 1.00 10.00 H new ATOM 0 HA SER A 20 2.496 2.220 -9.716 1.00 10.00 H new ATOM 0 HB2 SER A 20 2.404 4.757 -9.876 1.00 10.00 H new ATOM 0 HB3 SER A 20 1.425 4.666 -8.425 1.00 10.00 H new ATOM 0 HG SER A 20 3.079 3.772 -7.308 1.00 10.00 H new ATOM 301 N THR A 21 1.362 1.297 -7.558 1.00 10.00 N ATOM 302 CA THR A 21 0.735 0.233 -6.795 1.00 10.00 C ATOM 303 C THR A 21 0.333 0.772 -5.419 1.00 10.00 C ATOM 304 O THR A 21 1.207 1.035 -4.590 1.00 10.00 O ATOM 305 CB THR A 21 1.747 -0.918 -6.693 1.00 10.00 C ATOM 306 OG1 THR A 21 2.394 -1.100 -7.941 1.00 10.00 O ATOM 307 CG2 THR A 21 1.056 -2.217 -6.278 1.00 10.00 C ATOM 0 H THR A 21 2.351 1.413 -7.339 1.00 10.00 H new ATOM 0 HA THR A 21 -0.172 -0.134 -7.276 1.00 10.00 H new ATOM 0 HB THR A 21 2.484 -0.660 -5.932 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.052 -0.387 -8.075 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.794 -3.017 -6.213 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.580 -2.082 -5.307 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.300 -2.480 -7.018 1.00 10.00 H new ATOM 315 N TRP A 22 -0.972 0.955 -5.200 1.00 10.00 N ATOM 316 CA TRP A 22 -1.552 1.588 -4.021 1.00 10.00 C ATOM 317 C TRP A 22 -2.025 0.531 -3.032 1.00 10.00 C ATOM 318 O TRP A 22 -2.324 -0.582 -3.445 1.00 10.00 O ATOM 319 CB TRP A 22 -2.733 2.466 -4.446 1.00 10.00 C ATOM 320 CG TRP A 22 -2.375 3.764 -5.110 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.169 4.094 -5.612 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.233 4.898 -5.406 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.231 5.329 -6.220 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.512 5.846 -6.189 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.551 5.231 -5.058 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.118 7.013 -6.689 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.185 6.360 -5.591 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.491 7.221 -6.453 1.00 10.00 C ATOM 0 H TRP A 22 -1.679 0.652 -5.870 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.794 2.203 -3.537 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.362 1.892 -5.127 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.335 2.684 -3.564 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.283 3.480 -5.547 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.431 5.802 -6.640 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.088 4.602 -4.363 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.540 7.737 -7.244 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.214 6.569 -5.337 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -5.006 8.039 -6.934 1.00 10.00 H new ATOM 339 N LEU A 23 -2.130 0.853 -1.741 1.00 10.00 N ATOM 340 CA LEU A 23 -2.804 0.019 -0.746 1.00 10.00 C ATOM 341 C LEU A 23 -3.365 0.933 0.343 1.00 10.00 C ATOM 342 O LEU A 23 -2.829 2.029 0.522 1.00 10.00 O ATOM 343 CB LEU A 23 -1.881 -1.060 -0.131 1.00 10.00 C ATOM 344 CG LEU A 23 -0.474 -1.238 -0.727 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.502 -0.336 0.008 1.00 10.00 C ATOM 346 CD2 LEU A 23 0.029 -2.672 -0.582 1.00 10.00 C ATOM 0 H LEU A 23 -1.743 1.713 -1.353 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.605 -0.527 -1.245 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.767 -0.836 0.930 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.396 -2.018 -0.201 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.537 -0.986 -1.786 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.500 -0.460 -0.413 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.190 0.703 -0.100 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.518 -0.602 1.065 1.00 10.00 H new ATOM 0 HD21 LEU A 23 1.026 -2.754 -1.016 1.00 10.00 H new ATOM 0 HD22 LEU A 23 0.070 -2.938 0.474 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.649 -3.350 -1.101 1.00 10.00 H new ATOM 358 N ILE A 24 -4.409 0.498 1.066 1.00 10.00 N ATOM 359 CA ILE A 24 -4.923 1.215 2.234 1.00 10.00 C ATOM 360 C ILE A 24 -4.462 0.520 3.498 1.00 10.00 C ATOM 361 O ILE A 24 -4.652 -0.684 3.643 1.00 10.00 O ATOM 362 CB ILE A 24 -6.468 1.328 2.285 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.200 1.408 0.937 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.851 2.535 3.151 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.637 0.893 1.050 1.00 10.00 C ATOM 0 H ILE A 24 -4.917 -0.361 0.854 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.528 2.228 2.153 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.802 0.382 2.712 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.208 2.440 0.587 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.660 0.823 0.193 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.937 2.623 3.193 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.459 2.399 4.159 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.430 3.442 2.717 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.126 0.964 0.079 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.626 -0.147 1.376 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.183 1.495 1.776 1.00 10.00 H new ATOM 377 N LEU A 25 -3.890 1.299 4.411 1.00 10.00 N ATOM 378 CA LEU A 25 -3.608 0.908 5.776 1.00 10.00 C ATOM 379 C LEU A 25 -4.331 1.970 6.613 1.00 10.00 C ATOM 380 O LEU A 25 -3.988 3.147 6.528 1.00 10.00 O ATOM 381 CB LEU A 25 -2.091 0.942 6.011 1.00 10.00 C ATOM 382 CG LEU A 25 -1.237 -0.251 5.532 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.572 -0.805 4.146 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.250 0.136 5.534 1.00 10.00 C ATOM 0 H LEU A 25 -3.602 2.256 4.206 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.937 -0.101 6.026 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.703 1.840 5.530 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.926 1.057 7.082 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.471 -1.044 6.243 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.908 -1.639 3.917 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.606 -1.150 4.132 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.441 -0.022 3.400 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.847 -0.711 5.195 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.407 0.982 4.865 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.553 0.412 6.544 1.00 10.00 H new ATOM 396 N HIS A 26 -5.351 1.578 7.381 1.00 10.00 N ATOM 397 CA HIS A 26 -6.091 2.425 8.312 1.00 10.00 C ATOM 398 C HIS A 26 -6.493 3.771 7.687 1.00 10.00 C ATOM 399 O HIS A 26 -6.002 4.830 8.085 1.00 10.00 O ATOM 400 CB HIS A 26 -5.327 2.538 9.645 1.00 10.00 C ATOM 401 CG HIS A 26 -3.921 3.075 9.531 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.601 4.388 9.290 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.763 2.349 9.440 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.276 4.453 9.087 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.717 3.237 9.177 1.00 10.00 N ATOM 0 H HIS A 26 -5.697 0.618 7.368 1.00 10.00 H new ATOM 0 HA HIS A 26 -7.045 1.951 8.542 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -5.893 3.183 10.317 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -5.287 1.552 10.108 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -4.253 5.172 9.269 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -2.674 1.278 9.552 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -1.732 5.363 8.879 1.00 10.00 H new ATOM 413 N TYR A 27 -7.379 3.712 6.685 1.00 10.00 N ATOM 414 CA TYR A 27 -7.835 4.821 5.841 1.00 10.00 C ATOM 415 C TYR A 27 -6.738 5.401 4.948 1.00 10.00 C ATOM 416 O TYR A 27 -7.012 5.739 3.800 1.00 10.00 O ATOM 417 CB TYR A 27 -8.508 5.966 6.618 1.00 10.00 C ATOM 418 CG TYR A 27 -9.975 5.787 6.950 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.934 6.051 5.952 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.382 5.685 8.293 1.00 10.00 C ATOM 421 CE1 TYR A 27 -12.272 6.290 6.303 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.722 5.926 8.644 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.656 6.273 7.652 1.00 10.00 C ATOM 424 OH TYR A 27 -13.929 6.614 7.996 1.00 10.00 O ATOM 0 H TYR A 27 -7.824 2.832 6.426 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.589 4.353 5.208 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.963 6.112 7.550 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.399 6.882 6.038 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.639 6.070 4.913 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -9.664 5.421 9.055 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.005 6.487 5.535 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.034 5.845 9.675 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.033 6.550 8.968 1.00 10.00 H new ATOM 434 N LYS A 28 -5.525 5.603 5.460 1.00 10.00 N ATOM 435 CA LYS A 28 -4.488 6.264 4.687 1.00 10.00 C ATOM 436 C LYS A 28 -4.058 5.371 3.521 1.00 10.00 C ATOM 437 O LYS A 28 -4.168 4.148 3.603 1.00 10.00 O ATOM 438 CB LYS A 28 -3.322 6.678 5.589 1.00 10.00 C ATOM 439 CG LYS A 28 -3.726 7.486 6.825 1.00 10.00 C ATOM 440 CD LYS A 28 -4.740 8.591 6.527 1.00 10.00 C ATOM 441 CE LYS A 28 -5.118 9.435 7.753 1.00 10.00 C ATOM 442 NZ LYS A 28 -4.374 10.709 7.793 1.00 10.00 N ATOM 0 H LYS A 28 -5.243 5.320 6.398 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.882 7.185 4.256 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.796 5.781 5.914 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.617 7.266 5.002 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.146 6.810 7.570 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.834 7.932 7.265 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.332 9.247 5.758 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.643 8.141 6.116 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -6.188 9.640 7.737 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.916 8.867 8.661 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.499 11.155 8.724 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.363 10.526 7.629 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.735 11.345 7.054 1.00 10.00 H new ATOM 456 N VAL A 29 -3.604 5.996 2.433 1.00 10.00 N ATOM 457 CA VAL A 29 -3.292 5.332 1.167 1.00 10.00 C ATOM 458 C VAL A 29 -1.810 5.488 0.849 1.00 10.00 C ATOM 459 O VAL A 29 -1.248 6.582 0.960 1.00 10.00 O ATOM 460 CB VAL A 29 -4.175 5.842 0.017 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.766 5.261 -1.341 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.629 5.430 0.235 1.00 10.00 C ATOM 0 H VAL A 29 -3.439 7.002 2.408 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.513 4.270 1.277 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.053 6.925 0.012 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.422 5.654 -2.117 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.736 5.540 -1.561 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.849 4.175 -1.312 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.239 5.800 -0.589 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.697 4.343 0.277 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -5.990 5.853 1.172 1.00 10.00 H new ATOM 472 N TYR A 30 -1.203 4.367 0.459 1.00 10.00 N ATOM 473 CA TYR A 30 0.224 4.128 0.408 1.00 10.00 C ATOM 474 C TYR A 30 0.557 3.705 -1.018 1.00 10.00 C ATOM 475 O TYR A 30 -0.044 2.738 -1.472 1.00 10.00 O ATOM 476 CB TYR A 30 0.482 2.992 1.408 1.00 10.00 C ATOM 477 CG TYR A 30 0.302 3.432 2.843 1.00 10.00 C ATOM 478 CD1 TYR A 30 -0.986 3.443 3.402 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.371 3.992 3.560 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.207 4.062 4.639 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.153 4.535 4.839 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.139 4.587 5.372 1.00 10.00 C ATOM 483 OH TYR A 30 -0.345 5.131 6.603 1.00 10.00 O ATOM 0 H TYR A 30 -1.737 3.554 0.152 1.00 10.00 H new ATOM 0 HA TYR A 30 0.834 4.995 0.661 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.197 2.165 1.197 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.496 2.615 1.271 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.806 2.974 2.878 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.361 4.006 3.129 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.211 4.134 5.030 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.987 4.913 5.412 1.00 10.00 H new ATOM 0 HH TYR A 30 0.508 5.446 6.969 1.00 10.00 H new ATOM 493 N ASP A 31 1.466 4.399 -1.712 1.00 10.00 N ATOM 494 CA ASP A 31 1.899 4.063 -3.072 1.00 10.00 C ATOM 495 C ASP A 31 3.338 3.578 -3.011 1.00 10.00 C ATOM 496 O ASP A 31 4.137 4.216 -2.327 1.00 10.00 O ATOM 497 CB ASP A 31 1.864 5.300 -3.973 1.00 10.00 C ATOM 498 CG ASP A 31 1.908 4.961 -5.455 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.409 3.867 -5.795 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.383 5.773 -6.250 1.00 10.00 O ATOM 0 H ASP A 31 1.930 5.226 -1.336 1.00 10.00 H new ATOM 0 HA ASP A 31 1.232 3.301 -3.474 1.00 10.00 H new ATOM 0 HB2 ASP A 31 0.958 5.869 -3.763 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.709 5.944 -3.729 1.00 10.00 H new ATOM 505 N LEU A 32 3.674 2.472 -3.685 1.00 10.00 N ATOM 506 CA LEU A 32 5.040 1.964 -3.661 1.00 10.00 C ATOM 507 C LEU A 32 5.597 1.688 -5.067 1.00 10.00 C ATOM 508 O LEU A 32 6.486 2.396 -5.538 1.00 10.00 O ATOM 509 CB LEU A 32 5.193 0.757 -2.707 1.00 10.00 C ATOM 510 CG LEU A 32 4.064 0.423 -1.712 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.515 -0.815 -0.930 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.788 1.520 -0.683 1.00 10.00 C ATOM 0 H LEU A 32 3.024 1.921 -4.246 1.00 10.00 H new ATOM 0 HA LEU A 32 5.660 2.761 -3.252 1.00 10.00 H new ATOM 0 HB2 LEU A 32 5.356 -0.127 -3.324 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.103 0.913 -2.127 1.00 10.00 H new ATOM 0 HG LEU A 32 3.151 0.287 -2.292 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.745 -1.091 -0.210 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.679 -1.642 -1.621 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.443 -0.594 -0.402 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.980 1.204 -0.022 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.688 1.702 -0.095 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.499 2.437 -1.197 1.00 10.00 H new ATOM 524 N THR A 33 5.140 0.609 -5.710 1.00 10.00 N ATOM 525 CA THR A 33 5.677 0.059 -6.958 1.00 10.00 C ATOM 526 C THR A 33 7.163 -0.298 -6.874 1.00 10.00 C ATOM 527 O THR A 33 7.486 -1.475 -6.824 1.00 10.00 O ATOM 528 CB THR A 33 5.393 0.972 -8.156 1.00 10.00 C ATOM 529 OG1 THR A 33 4.021 1.252 -8.173 1.00 10.00 O ATOM 530 CG2 THR A 33 5.743 0.302 -9.488 1.00 10.00 C ATOM 0 H THR A 33 4.349 0.070 -5.358 1.00 10.00 H new ATOM 0 HA THR A 33 5.144 -0.879 -7.117 1.00 10.00 H new ATOM 0 HB THR A 33 6.002 1.869 -8.048 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.884 2.221 -8.117 1.00 10.00 H new ATOM 0 HG21 THR A 33 5.525 0.986 -10.308 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.803 0.047 -9.500 1.00 10.00 H new ATOM 0 HG23 THR A 33 5.151 -0.605 -9.606 1.00 10.00 H new ATOM 538 N LYS A 34 8.082 0.672 -6.845 1.00 10.00 N ATOM 539 CA LYS A 34 9.514 0.390 -6.736 1.00 10.00 C ATOM 540 C LYS A 34 9.759 -0.594 -5.590 1.00 10.00 C ATOM 541 O LYS A 34 10.527 -1.548 -5.706 1.00 10.00 O ATOM 542 CB LYS A 34 10.280 1.696 -6.471 1.00 10.00 C ATOM 543 CG LYS A 34 11.798 1.467 -6.338 1.00 10.00 C ATOM 544 CD LYS A 34 12.504 2.637 -5.639 1.00 10.00 C ATOM 545 CE LYS A 34 12.323 3.991 -6.336 1.00 10.00 C ATOM 546 NZ LYS A 34 12.781 3.956 -7.737 1.00 10.00 N ATOM 0 H LYS A 34 7.856 1.665 -6.896 1.00 10.00 H new ATOM 0 HA LYS A 34 9.867 -0.050 -7.669 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.090 2.397 -7.284 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.903 2.157 -5.558 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.977 0.550 -5.777 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.230 1.324 -7.329 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.130 2.714 -4.618 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.569 2.416 -5.572 1.00 10.00 H new ATOM 0 HE2 LYS A 34 11.272 4.277 -6.305 1.00 10.00 H new ATOM 0 HE3 LYS A 34 12.877 4.756 -5.792 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 12.720 4.910 -8.146 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.767 3.626 -7.772 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 12.179 3.307 -8.283 1.00 10.00 H new ATOM 560 N PHE A 35 9.062 -0.348 -4.483 1.00 10.00 N ATOM 561 CA PHE A 35 9.331 -1.023 -3.238 1.00 10.00 C ATOM 562 C PHE A 35 8.964 -2.487 -3.363 1.00 10.00 C ATOM 563 O PHE A 35 9.526 -3.314 -2.671 1.00 10.00 O ATOM 564 CB PHE A 35 8.536 -0.392 -2.100 1.00 10.00 C ATOM 565 CG PHE A 35 9.106 -0.751 -0.747 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.390 -0.289 -0.401 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.466 -1.704 0.065 1.00 10.00 C ATOM 568 CE1 PHE A 35 11.038 -0.782 0.742 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.121 -2.203 1.201 1.00 10.00 C ATOM 570 CZ PHE A 35 10.404 -1.744 1.544 1.00 10.00 C ATOM 0 H PHE A 35 8.298 0.326 -4.435 1.00 10.00 H new ATOM 0 HA PHE A 35 10.394 -0.928 -3.014 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.533 0.692 -2.217 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.498 -0.721 -2.156 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.879 0.449 -1.019 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.474 -2.051 -0.185 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.022 -0.422 1.004 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.635 -2.946 1.817 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.901 -2.130 2.422 1.00 10.00 H new ATOM 580 N LEU A 36 8.025 -2.808 -4.252 1.00 10.00 N ATOM 581 CA LEU A 36 7.658 -4.174 -4.572 1.00 10.00 C ATOM 582 C LEU A 36 8.895 -5.054 -4.787 1.00 10.00 C ATOM 583 O LEU A 36 8.912 -6.209 -4.367 1.00 10.00 O ATOM 584 CB LEU A 36 6.832 -4.162 -5.858 1.00 10.00 C ATOM 585 CG LEU A 36 5.452 -3.498 -5.834 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.911 -3.519 -7.268 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.468 -4.282 -4.963 1.00 10.00 C ATOM 0 H LEU A 36 7.494 -2.111 -4.774 1.00 10.00 H new ATOM 0 HA LEU A 36 7.089 -4.586 -3.738 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.424 -3.668 -6.628 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.697 -5.196 -6.175 1.00 10.00 H new ATOM 0 HG LEU A 36 5.552 -2.490 -5.433 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.926 -3.053 -7.292 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.589 -2.969 -7.921 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.833 -4.550 -7.612 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.499 -3.783 -4.969 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.358 -5.292 -5.357 1.00 10.00 H new ATOM 0 HD23 LEU A 36 4.845 -4.331 -3.941 1.00 10.00 H new ATOM 599 N GLU A 37 9.913 -4.500 -5.452 1.00 10.00 N ATOM 600 CA GLU A 37 11.171 -5.178 -5.728 1.00 10.00 C ATOM 601 C GLU A 37 11.960 -5.339 -4.420 1.00 10.00 C ATOM 602 O GLU A 37 12.350 -6.443 -4.044 1.00 10.00 O ATOM 603 CB GLU A 37 11.912 -4.362 -6.802 1.00 10.00 C ATOM 604 CG GLU A 37 12.908 -5.187 -7.628 1.00 10.00 C ATOM 605 CD GLU A 37 14.183 -5.546 -6.876 1.00 10.00 C ATOM 606 OE1 GLU A 37 14.616 -4.705 -6.058 1.00 10.00 O ATOM 607 OE2 GLU A 37 14.719 -6.638 -7.165 1.00 10.00 O ATOM 0 H GLU A 37 9.879 -3.549 -5.818 1.00 10.00 H new ATOM 0 HA GLU A 37 11.023 -6.186 -6.116 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.180 -3.914 -7.474 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.445 -3.543 -6.319 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.421 -6.105 -7.956 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.172 -4.628 -8.526 1.00 10.00 H new ATOM 614 N GLU A 38 12.132 -4.229 -3.698 1.00 10.00 N ATOM 615 CA GLU A 38 12.848 -4.150 -2.430 1.00 10.00 C ATOM 616 C GLU A 38 12.229 -5.065 -1.357 1.00 10.00 C ATOM 617 O GLU A 38 12.922 -5.562 -0.471 1.00 10.00 O ATOM 618 CB GLU A 38 12.823 -2.690 -1.943 1.00 10.00 C ATOM 619 CG GLU A 38 13.373 -1.676 -2.963 1.00 10.00 C ATOM 620 CD GLU A 38 13.202 -0.240 -2.478 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.594 0.025 -1.322 1.00 10.00 O ATOM 622 OE2 GLU A 38 12.656 0.570 -3.261 1.00 10.00 O ATOM 0 H GLU A 38 11.760 -3.327 -3.996 1.00 10.00 H new ATOM 0 HA GLU A 38 13.872 -4.488 -2.592 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.797 -2.419 -1.695 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.404 -2.615 -1.024 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.429 -1.876 -3.142 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.858 -1.802 -3.916 1.00 10.00 H new ATOM 629 N HIS A 39 10.905 -5.210 -1.396 1.00 10.00 N ATOM 630 CA HIS A 39 10.055 -5.736 -0.343 1.00 10.00 C ATOM 631 C HIS A 39 10.431 -7.175 0.019 1.00 10.00 C ATOM 632 O HIS A 39 10.256 -8.061 -0.812 1.00 10.00 O ATOM 633 CB HIS A 39 8.595 -5.671 -0.827 1.00 10.00 C ATOM 634 CG HIS A 39 7.552 -6.090 0.171 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.360 -6.712 -0.124 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.499 -5.699 1.479 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.612 -6.692 0.995 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.268 -6.087 2.006 1.00 10.00 N ATOM 0 H HIS A 39 10.368 -4.944 -2.221 1.00 10.00 H new ATOM 0 HA HIS A 39 10.186 -5.136 0.557 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.381 -4.649 -1.139 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.498 -6.301 -1.711 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.093 -7.113 -1.023 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.279 -5.178 2.014 1.00 10.00 H new ATOM 0 HE1 HIS A 39 4.618 -7.106 1.073 1.00 10.00 H new ATOM 646 N PRO A 40 10.838 -7.450 1.269 1.00 10.00 N ATOM 647 CA PRO A 40 10.975 -8.805 1.788 1.00 10.00 C ATOM 648 C PRO A 40 9.739 -9.681 1.529 1.00 10.00 C ATOM 649 O PRO A 40 9.868 -10.880 1.301 1.00 10.00 O ATOM 650 CB PRO A 40 11.315 -8.639 3.278 1.00 10.00 C ATOM 651 CG PRO A 40 12.077 -7.313 3.271 1.00 10.00 C ATOM 652 CD PRO A 40 11.276 -6.489 2.266 1.00 10.00 C ATOM 0 HA PRO A 40 11.764 -9.350 1.270 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.421 -8.595 3.900 1.00 10.00 H new ATOM 0 HB3 PRO A 40 11.925 -9.461 3.654 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.095 -6.848 4.257 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.114 -7.440 2.959 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.428 -5.998 2.743 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.888 -5.705 1.819 1.00 10.00 H new ATOM 660 N GLY A 41 8.538 -9.089 1.527 1.00 10.00 N ATOM 661 CA GLY A 41 7.309 -9.793 1.177 1.00 10.00 C ATOM 662 C GLY A 41 7.181 -10.122 -0.314 1.00 10.00 C ATOM 663 O GLY A 41 6.442 -11.036 -0.668 1.00 10.00 O ATOM 0 H GLY A 41 8.396 -8.108 1.769 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.258 -10.720 1.749 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.456 -9.185 1.479 1.00 10.00 H new ATOM 667 N GLY A 42 7.860 -9.379 -1.193 1.00 10.00 N ATOM 668 CA GLY A 42 7.806 -9.565 -2.638 1.00 10.00 C ATOM 669 C GLY A 42 6.713 -8.722 -3.302 1.00 10.00 C ATOM 670 O GLY A 42 5.957 -8.019 -2.626 1.00 10.00 O ATOM 0 H GLY A 42 8.475 -8.616 -0.909 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.772 -9.305 -3.070 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.631 -10.618 -2.858 1.00 10.00 H new ATOM 674 N GLU A 43 6.654 -8.799 -4.639 1.00 10.00 N ATOM 675 CA GLU A 43 5.776 -8.008 -5.495 1.00 10.00 C ATOM 676 C GLU A 43 4.398 -8.679 -5.620 1.00 10.00 C ATOM 677 O GLU A 43 3.414 -8.085 -5.187 1.00 10.00 O ATOM 678 CB GLU A 43 6.481 -7.768 -6.845 1.00 10.00 C ATOM 679 CG GLU A 43 5.726 -6.869 -7.831 1.00 10.00 C ATOM 680 CD GLU A 43 5.471 -7.436 -9.216 1.00 10.00 C ATOM 681 OE1 GLU A 43 5.704 -8.638 -9.448 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.877 -6.685 -10.017 1.00 10.00 O ATOM 0 H GLU A 43 7.243 -9.442 -5.169 1.00 10.00 H new ATOM 0 HA GLU A 43 5.582 -7.030 -5.055 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.458 -7.326 -6.652 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.656 -8.733 -7.321 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.765 -6.610 -7.387 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.286 -5.940 -7.942 1.00 10.00 H new ATOM 689 N GLU A 44 4.319 -9.906 -6.164 1.00 10.00 N ATOM 690 CA GLU A 44 3.093 -10.720 -6.272 1.00 10.00 C ATOM 691 C GLU A 44 2.234 -10.556 -5.027 1.00 10.00 C ATOM 692 O GLU A 44 1.114 -10.045 -5.062 1.00 10.00 O ATOM 693 CB GLU A 44 3.464 -12.219 -6.405 1.00 10.00 C ATOM 694 CG GLU A 44 2.645 -13.015 -7.437 1.00 10.00 C ATOM 695 CD GLU A 44 2.530 -12.349 -8.794 1.00 10.00 C ATOM 696 OE1 GLU A 44 3.577 -12.118 -9.430 1.00 10.00 O ATOM 697 OE2 GLU A 44 1.400 -11.966 -9.159 1.00 10.00 O ATOM 0 H GLU A 44 5.136 -10.376 -6.555 1.00 10.00 H new ATOM 0 HA GLU A 44 2.542 -10.385 -7.150 1.00 10.00 H new ATOM 0 HB2 GLU A 44 4.519 -12.292 -6.670 1.00 10.00 H new ATOM 0 HB3 GLU A 44 3.346 -12.692 -5.430 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.101 -13.997 -7.565 1.00 10.00 H new ATOM 0 HG3 GLU A 44 1.643 -13.178 -7.040 1.00 10.00 H new ATOM 704 N VAL A 45 2.845 -10.988 -3.926 1.00 10.00 N ATOM 705 CA VAL A 45 2.253 -11.007 -2.593 1.00 10.00 C ATOM 706 C VAL A 45 1.634 -9.652 -2.241 1.00 10.00 C ATOM 707 O VAL A 45 0.663 -9.581 -1.493 1.00 10.00 O ATOM 708 CB VAL A 45 3.334 -11.377 -1.554 1.00 10.00 C ATOM 709 CG1 VAL A 45 2.903 -11.090 -0.110 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.742 -12.852 -1.621 1.00 10.00 C ATOM 0 H VAL A 45 3.800 -11.347 -3.940 1.00 10.00 H new ATOM 0 HA VAL A 45 1.458 -11.753 -2.580 1.00 10.00 H new ATOM 0 HB VAL A 45 4.179 -10.743 -1.820 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.705 -11.371 0.572 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.688 -10.027 0.001 1.00 10.00 H new ATOM 0 HG13 VAL A 45 2.009 -11.667 0.124 1.00 10.00 H new ATOM 0 HG21 VAL A 45 4.504 -13.053 -0.868 1.00 10.00 H new ATOM 0 HG22 VAL A 45 2.871 -13.479 -1.432 1.00 10.00 H new ATOM 0 HG23 VAL A 45 4.142 -13.074 -2.610 1.00 10.00 H new ATOM 720 N LEU A 46 2.224 -8.560 -2.730 1.00 10.00 N ATOM 721 CA LEU A 46 1.762 -7.226 -2.417 1.00 10.00 C ATOM 722 C LEU A 46 0.694 -6.777 -3.417 1.00 10.00 C ATOM 723 O LEU A 46 -0.321 -6.224 -3.002 1.00 10.00 O ATOM 724 CB LEU A 46 2.971 -6.293 -2.314 1.00 10.00 C ATOM 725 CG LEU A 46 2.668 -4.973 -1.590 1.00 10.00 C ATOM 726 CD1 LEU A 46 2.085 -5.209 -0.192 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.957 -4.157 -1.441 1.00 10.00 C ATOM 0 H LEU A 46 3.032 -8.585 -3.351 1.00 10.00 H new ATOM 0 HA LEU A 46 1.265 -7.202 -1.447 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.775 -6.810 -1.789 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.336 -6.072 -3.317 1.00 10.00 H new ATOM 0 HG LEU A 46 1.934 -4.436 -2.190 1.00 10.00 H new ATOM 0 HD11 LEU A 46 1.885 -4.250 0.286 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.156 -5.773 -0.276 1.00 10.00 H new ATOM 0 HD13 LEU A 46 2.799 -5.772 0.410 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.738 -3.221 -0.927 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.684 -4.727 -0.863 1.00 10.00 H new ATOM 0 HD23 LEU A 46 4.367 -3.941 -2.428 1.00 10.00 H new ATOM 739 N ARG A 47 0.862 -7.057 -4.715 1.00 10.00 N ATOM 740 CA ARG A 47 -0.164 -6.790 -5.725 1.00 10.00 C ATOM 741 C ARG A 47 -1.487 -7.452 -5.330 1.00 10.00 C ATOM 742 O ARG A 47 -2.545 -6.840 -5.434 1.00 10.00 O ATOM 743 CB ARG A 47 0.279 -7.264 -7.120 1.00 10.00 C ATOM 744 CG ARG A 47 1.175 -6.233 -7.819 1.00 10.00 C ATOM 745 CD ARG A 47 1.305 -6.489 -9.330 1.00 10.00 C ATOM 746 NE ARG A 47 2.348 -7.473 -9.660 1.00 10.00 N ATOM 747 CZ ARG A 47 2.235 -8.808 -9.737 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.055 -9.388 -9.514 1.00 10.00 N ATOM 749 NH2 ARG A 47 3.301 -9.555 -10.029 1.00 10.00 N ATOM 0 H ARG A 47 1.713 -7.475 -5.092 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.310 -5.711 -5.773 1.00 10.00 H new ATOM 0 HB2 ARG A 47 0.816 -8.208 -7.029 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.601 -7.456 -7.734 1.00 10.00 H new ATOM 0 HG2 ARG A 47 0.768 -5.235 -7.657 1.00 10.00 H new ATOM 0 HG3 ARG A 47 2.166 -6.251 -7.365 1.00 10.00 H new ATOM 0 HD2 ARG A 47 0.348 -6.839 -9.717 1.00 10.00 H new ATOM 0 HD3 ARG A 47 1.528 -5.549 -9.834 1.00 10.00 H new ATOM 0 HE ARG A 47 3.274 -7.092 -9.855 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.241 -8.817 -9.286 1.00 10.00 H new ATOM 0 HH12 ARG A 47 0.966 -10.402 -9.572 1.00 10.00 H new ATOM 0 HH21 ARG A 47 4.205 -9.112 -10.194 1.00 10.00 H new ATOM 0 HH22 ARG A 47 3.212 -10.569 -10.087 1.00 10.00 H new ATOM 763 N GLU A 48 -1.399 -8.686 -4.839 1.00 10.00 N ATOM 764 CA GLU A 48 -2.480 -9.469 -4.249 1.00 10.00 C ATOM 765 C GLU A 48 -3.308 -8.691 -3.207 1.00 10.00 C ATOM 766 O GLU A 48 -4.459 -9.036 -2.943 1.00 10.00 O ATOM 767 CB GLU A 48 -1.792 -10.683 -3.625 1.00 10.00 C ATOM 768 CG GLU A 48 -2.696 -11.656 -2.861 1.00 10.00 C ATOM 769 CD GLU A 48 -1.963 -12.949 -2.521 1.00 10.00 C ATOM 770 OE1 GLU A 48 -0.819 -12.840 -2.028 1.00 10.00 O ATOM 771 OE2 GLU A 48 -2.560 -14.020 -2.760 1.00 10.00 O ATOM 0 H GLU A 48 -0.516 -9.197 -4.843 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.211 -9.745 -5.009 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.287 -11.235 -4.418 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.020 -10.326 -2.943 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.048 -11.184 -1.944 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.577 -11.883 -3.461 1.00 10.00 H new ATOM 778 N GLN A 49 -2.724 -7.680 -2.559 1.00 10.00 N ATOM 779 CA GLN A 49 -3.381 -6.848 -1.554 1.00 10.00 C ATOM 780 C GLN A 49 -3.580 -5.406 -2.022 1.00 10.00 C ATOM 781 O GLN A 49 -4.450 -4.696 -1.520 1.00 10.00 O ATOM 782 CB GLN A 49 -2.523 -6.881 -0.292 1.00 10.00 C ATOM 783 CG GLN A 49 -2.412 -8.295 0.298 1.00 10.00 C ATOM 784 CD GLN A 49 -3.720 -8.887 0.820 1.00 10.00 C ATOM 785 OE1 GLN A 49 -3.921 -8.950 2.032 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.599 -9.365 -0.057 1.00 10.00 N ATOM 0 H GLN A 49 -1.754 -7.412 -2.725 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.378 -7.246 -1.365 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.526 -6.506 -0.523 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.951 -6.211 0.454 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.011 -8.960 -0.467 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.690 -8.275 1.114 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.408 -9.300 -1.057 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.463 -9.796 0.271 1.00 10.00 H new ATOM 795 N ALA A 50 -2.743 -4.961 -2.953 1.00 10.00 N ATOM 796 CA ALA A 50 -2.798 -3.624 -3.519 1.00 10.00 C ATOM 797 C ALA A 50 -4.181 -3.312 -4.096 1.00 10.00 C ATOM 798 O ALA A 50 -4.904 -4.191 -4.563 1.00 10.00 O ATOM 799 CB ALA A 50 -1.744 -3.486 -4.612 1.00 10.00 C ATOM 0 H ALA A 50 -1.993 -5.534 -3.341 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.600 -2.912 -2.718 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.788 -2.482 -5.035 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.755 -3.658 -4.188 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.935 -4.219 -5.396 1.00 10.00 H new ATOM 805 N GLY A 51 -4.542 -2.031 -4.088 1.00 10.00 N ATOM 806 CA GLY A 51 -5.862 -1.575 -4.470 1.00 10.00 C ATOM 807 C GLY A 51 -6.911 -2.239 -3.608 1.00 10.00 C ATOM 808 O GLY A 51 -8.020 -2.519 -4.040 1.00 10.00 O ATOM 0 H GLY A 51 -3.913 -1.277 -3.812 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -5.926 -0.492 -4.364 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.045 -1.804 -5.520 1.00 10.00 H new ATOM 812 N GLY A 52 -6.564 -2.406 -2.338 1.00 10.00 N ATOM 813 CA GLY A 52 -7.492 -2.808 -1.335 1.00 10.00 C ATOM 814 C GLY A 52 -6.879 -2.439 -0.002 1.00 10.00 C ATOM 815 O GLY A 52 -5.745 -1.956 0.096 1.00 10.00 O ATOM 0 H GLY A 52 -5.616 -2.260 -1.990 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.451 -2.308 -1.472 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.681 -3.880 -1.390 1.00 10.00 H new ATOM 819 N ASP A 53 -7.693 -2.658 1.012 1.00 10.00 N ATOM 820 CA ASP A 53 -7.312 -2.523 2.401 1.00 10.00 C ATOM 821 C ASP A 53 -6.428 -3.700 2.794 1.00 10.00 C ATOM 822 O ASP A 53 -6.837 -4.854 2.667 1.00 10.00 O ATOM 823 CB ASP A 53 -8.539 -2.403 3.307 1.00 10.00 C ATOM 824 CG ASP A 53 -8.103 -1.970 4.698 1.00 10.00 C ATOM 825 OD1 ASP A 53 -7.297 -2.703 5.313 1.00 10.00 O ATOM 826 OD2 ASP A 53 -8.522 -0.874 5.123 1.00 10.00 O ATOM 0 H ASP A 53 -8.664 -2.943 0.887 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.744 -1.601 2.530 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.241 -1.679 2.893 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -9.061 -3.359 3.359 1.00 10.00 H new ATOM 831 N ALA A 54 -5.208 -3.400 3.238 1.00 10.00 N ATOM 832 CA ALA A 54 -4.269 -4.383 3.750 1.00 10.00 C ATOM 833 C ALA A 54 -3.859 -4.036 5.183 1.00 10.00 C ATOM 834 O ALA A 54 -2.757 -4.389 5.607 1.00 10.00 O ATOM 835 CB ALA A 54 -3.068 -4.428 2.809 1.00 10.00 C ATOM 0 H ALA A 54 -4.843 -2.448 3.250 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.730 -5.370 3.787 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.348 -5.160 3.173 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.399 -4.711 1.810 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.598 -3.445 2.771 1.00 10.00 H new ATOM 841 N THR A 55 -4.727 -3.347 5.933 1.00 10.00 N ATOM 842 CA THR A 55 -4.388 -2.864 7.262 1.00 10.00 C ATOM 843 C THR A 55 -4.056 -4.035 8.178 1.00 10.00 C ATOM 844 O THR A 55 -2.973 -4.079 8.759 1.00 10.00 O ATOM 845 CB THR A 55 -5.529 -2.025 7.860 1.00 10.00 C ATOM 846 OG1 THR A 55 -6.003 -1.083 6.929 1.00 10.00 O ATOM 847 CG2 THR A 55 -5.025 -1.244 9.075 1.00 10.00 C ATOM 0 H THR A 55 -5.674 -3.114 5.633 1.00 10.00 H new ATOM 0 HA THR A 55 -3.512 -2.222 7.174 1.00 10.00 H new ATOM 0 HB THR A 55 -6.327 -2.714 8.139 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.190 -1.530 6.077 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.841 -0.653 9.491 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.660 -1.941 9.830 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.215 -0.581 8.771 1.00 10.00 H new ATOM 855 N GLU A 56 -4.989 -4.986 8.299 1.00 10.00 N ATOM 856 CA GLU A 56 -4.845 -6.147 9.143 1.00 10.00 C ATOM 857 C GLU A 56 -3.568 -6.858 8.738 1.00 10.00 C ATOM 858 O GLU A 56 -2.692 -7.015 9.564 1.00 10.00 O ATOM 859 CB GLU A 56 -6.082 -7.045 9.017 1.00 10.00 C ATOM 860 CG GLU A 56 -7.362 -6.299 9.421 1.00 10.00 C ATOM 861 CD GLU A 56 -8.571 -7.227 9.456 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.616 -8.131 8.595 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.425 -7.010 10.341 1.00 10.00 O ATOM 0 H GLU A 56 -5.877 -4.957 7.798 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.773 -5.866 10.194 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.174 -7.398 7.990 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.959 -7.926 9.647 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -7.224 -5.845 10.402 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.547 -5.487 8.717 1.00 10.00 H new ATOM 870 N ASN A 57 -3.429 -7.215 7.461 1.00 10.00 N ATOM 871 CA ASN A 57 -2.251 -7.908 6.948 1.00 10.00 C ATOM 872 C ASN A 57 -0.949 -7.198 7.364 1.00 10.00 C ATOM 873 O ASN A 57 -0.029 -7.814 7.904 1.00 10.00 O ATOM 874 CB ASN A 57 -2.400 -8.051 5.427 1.00 10.00 C ATOM 875 CG ASN A 57 -1.441 -9.080 4.840 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.329 -9.258 5.319 1.00 10.00 O ATOM 877 ND2 ASN A 57 -1.849 -9.753 3.768 1.00 10.00 N ATOM 0 H ASN A 57 -4.136 -7.029 6.750 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.182 -8.904 7.385 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.425 -8.338 5.191 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.223 -7.084 4.956 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.231 -10.434 3.328 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.780 -9.588 3.386 1.00 10.00 H new ATOM 884 N PHE A 58 -0.881 -5.879 7.157 1.00 10.00 N ATOM 885 CA PHE A 58 0.277 -5.081 7.543 1.00 10.00 C ATOM 886 C PHE A 58 0.598 -5.222 9.038 1.00 10.00 C ATOM 887 O PHE A 58 1.730 -5.549 9.403 1.00 10.00 O ATOM 888 CB PHE A 58 0.047 -3.614 7.159 1.00 10.00 C ATOM 889 CG PHE A 58 1.238 -2.708 7.408 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.347 -2.758 6.544 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.226 -1.790 8.476 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.416 -1.859 6.712 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.295 -0.893 8.643 1.00 10.00 C ATOM 894 CZ PHE A 58 3.390 -0.924 7.761 1.00 10.00 C ATOM 0 H PHE A 58 -1.627 -5.340 6.718 1.00 10.00 H new ATOM 0 HA PHE A 58 1.145 -5.456 7.001 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -0.217 -3.565 6.103 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.807 -3.234 7.719 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.378 -3.489 5.749 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.396 -1.775 9.166 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.257 -1.887 6.035 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.276 -0.177 9.452 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.209 -0.231 7.889 1.00 10.00 H new ATOM 904 N GLU A 59 -0.390 -4.957 9.898 1.00 10.00 N ATOM 905 CA GLU A 59 -0.230 -4.970 11.345 1.00 10.00 C ATOM 906 C GLU A 59 0.135 -6.372 11.835 1.00 10.00 C ATOM 907 O GLU A 59 1.151 -6.563 12.498 1.00 10.00 O ATOM 908 CB GLU A 59 -1.536 -4.482 11.992 1.00 10.00 C ATOM 909 CG GLU A 59 -1.781 -2.982 11.760 1.00 10.00 C ATOM 910 CD GLU A 59 -0.706 -2.120 12.400 1.00 10.00 C ATOM 911 OE1 GLU A 59 -0.135 -2.563 13.424 1.00 10.00 O ATOM 912 OE2 GLU A 59 -0.387 -1.044 11.841 1.00 10.00 O ATOM 0 H GLU A 59 -1.337 -4.724 9.598 1.00 10.00 H new ATOM 0 HA GLU A 59 0.584 -4.304 11.630 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.373 -5.051 11.587 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.504 -4.681 13.063 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.815 -2.782 10.689 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.754 -2.707 12.166 1.00 10.00 H new ATOM 919 N ASP A 60 -0.714 -7.336 11.483 1.00 10.00 N ATOM 920 CA ASP A 60 -0.581 -8.775 11.643 1.00 10.00 C ATOM 921 C ASP A 60 0.865 -9.227 11.438 1.00 10.00 C ATOM 922 O ASP A 60 1.466 -9.835 12.322 1.00 10.00 O ATOM 923 CB ASP A 60 -1.508 -9.452 10.618 1.00 10.00 C ATOM 924 CG ASP A 60 -1.320 -10.958 10.616 1.00 10.00 C ATOM 925 OD1 ASP A 60 -1.982 -11.624 11.438 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.503 -11.408 9.781 1.00 10.00 O ATOM 0 H ASP A 60 -1.599 -7.100 11.034 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.862 -9.058 12.657 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.546 -9.213 10.850 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.304 -9.056 9.623 1.00 10.00 H new ATOM 931 N HIS A 61 1.438 -8.891 10.279 1.00 10.00 N ATOM 932 CA HIS A 61 2.792 -9.302 9.926 1.00 10.00 C ATOM 933 C HIS A 61 3.882 -8.623 10.769 1.00 10.00 C ATOM 934 O HIS A 61 5.053 -8.973 10.645 1.00 10.00 O ATOM 935 CB HIS A 61 3.015 -9.066 8.430 1.00 10.00 C ATOM 936 CG HIS A 61 2.348 -10.089 7.544 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.205 -10.815 7.806 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.853 -10.543 6.358 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.028 -11.667 6.782 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.014 -11.548 5.875 1.00 10.00 N ATOM 0 H HIS A 61 0.976 -8.329 9.564 1.00 10.00 H new ATOM 0 HA HIS A 61 2.881 -10.365 10.152 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.643 -8.075 8.169 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.086 -9.067 8.228 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.605 -10.722 8.626 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.750 -10.184 5.876 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.202 -12.357 6.698 1.00 10.00 H new ATOM 948 N GLY A 62 3.532 -7.661 11.627 1.00 10.00 N ATOM 949 CA GLY A 62 4.460 -7.050 12.566 1.00 10.00 C ATOM 950 C GLY A 62 5.504 -6.197 11.854 1.00 10.00 C ATOM 951 O GLY A 62 6.667 -6.186 12.247 1.00 10.00 O ATOM 0 H GLY A 62 2.586 -7.285 11.685 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.907 -6.433 13.274 1.00 10.00 H new ATOM 0 HA3 GLY A 62 4.959 -7.829 13.143 1.00 10.00 H new ATOM 955 N HIS A 63 5.076 -5.460 10.824 1.00 10.00 N ATOM 956 CA HIS A 63 5.949 -4.612 10.023 1.00 10.00 C ATOM 957 C HIS A 63 6.765 -3.652 10.894 1.00 10.00 C ATOM 958 O HIS A 63 6.197 -2.885 11.678 1.00 10.00 O ATOM 959 CB HIS A 63 5.098 -3.860 8.999 1.00 10.00 C ATOM 960 CG HIS A 63 4.838 -4.693 7.775 1.00 10.00 C ATOM 961 ND1 HIS A 63 3.836 -5.615 7.584 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.595 -4.668 6.643 1.00 10.00 C ATOM 963 CE1 HIS A 63 3.975 -6.111 6.339 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.037 -5.556 5.724 1.00 10.00 N ATOM 0 H HIS A 63 4.101 -5.439 10.524 1.00 10.00 H new ATOM 0 HA HIS A 63 6.674 -5.236 9.501 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.149 -3.574 9.453 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.604 -2.938 8.712 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.119 -5.876 8.261 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.476 -4.064 6.484 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.325 -6.851 5.896 1.00 10.00 H new ATOM 972 N SER A 64 8.093 -3.701 10.768 1.00 10.00 N ATOM 973 CA SER A 64 9.004 -3.022 11.677 1.00 10.00 C ATOM 974 C SER A 64 8.946 -1.496 11.549 1.00 10.00 C ATOM 975 O SER A 64 8.316 -0.939 10.647 1.00 10.00 O ATOM 976 CB SER A 64 10.430 -3.548 11.460 1.00 10.00 C ATOM 977 OG SER A 64 10.440 -4.959 11.556 1.00 10.00 O ATOM 0 H SER A 64 8.564 -4.218 10.026 1.00 10.00 H new ATOM 0 HA SER A 64 8.686 -3.246 12.695 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.797 -3.238 10.481 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.103 -3.119 12.203 1.00 10.00 H new ATOM 0 HG SER A 64 9.942 -5.342 10.804 1.00 10.00 H new ATOM 983 N THR A 65 9.637 -0.817 12.466 1.00 10.00 N ATOM 984 CA THR A 65 9.813 0.624 12.509 1.00 10.00 C ATOM 985 C THR A 65 10.106 1.190 11.130 1.00 10.00 C ATOM 986 O THR A 65 9.438 2.109 10.688 1.00 10.00 O ATOM 987 CB THR A 65 10.984 0.910 13.466 1.00 10.00 C ATOM 988 OG1 THR A 65 11.941 -0.140 13.388 1.00 10.00 O ATOM 989 CG2 THR A 65 10.474 0.958 14.909 1.00 10.00 C ATOM 0 H THR A 65 10.111 -1.288 13.236 1.00 10.00 H new ATOM 0 HA THR A 65 8.897 1.101 12.856 1.00 10.00 H new ATOM 0 HB THR A 65 11.433 1.862 13.183 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.571 0.045 12.660 1.00 10.00 H new ATOM 0 HG21 THR A 65 11.307 1.161 15.583 1.00 10.00 H new ATOM 0 HG22 THR A 65 9.729 1.748 15.005 1.00 10.00 H new ATOM 0 HG23 THR A 65 10.023 -0.000 15.168 1.00 10.00 H new ATOM 997 N ASP A 66 11.096 0.647 10.443 1.00 10.00 N ATOM 998 CA ASP A 66 11.630 1.183 9.205 1.00 10.00 C ATOM 999 C ASP A 66 10.598 1.052 8.079 1.00 10.00 C ATOM 1000 O ASP A 66 10.489 1.932 7.230 1.00 10.00 O ATOM 1001 CB ASP A 66 12.938 0.431 8.914 1.00 10.00 C ATOM 1002 CG ASP A 66 13.895 0.436 10.111 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.464 -0.059 11.186 1.00 10.00 O ATOM 1004 OD2 ASP A 66 15.019 0.948 9.942 1.00 10.00 O ATOM 0 H ASP A 66 11.565 -0.208 10.743 1.00 10.00 H new ATOM 0 HA ASP A 66 11.844 2.249 9.285 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.708 -0.599 8.640 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.432 0.886 8.056 1.00 10.00 H new ATOM 1009 N ALA A 67 9.792 -0.014 8.095 1.00 10.00 N ATOM 1010 CA ALA A 67 8.644 -0.168 7.223 1.00 10.00 C ATOM 1011 C ALA A 67 7.598 0.894 7.566 1.00 10.00 C ATOM 1012 O ALA A 67 7.020 1.513 6.678 1.00 10.00 O ATOM 1013 CB ALA A 67 8.060 -1.578 7.363 1.00 10.00 C ATOM 0 H ALA A 67 9.929 -0.802 8.728 1.00 10.00 H new ATOM 0 HA ALA A 67 8.953 -0.033 6.186 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.198 -1.682 6.704 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.817 -2.314 7.091 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.749 -1.742 8.395 1.00 10.00 H new ATOM 1019 N ARG A 68 7.360 1.105 8.860 1.00 10.00 N ATOM 1020 CA ARG A 68 6.523 2.183 9.374 1.00 10.00 C ATOM 1021 C ARG A 68 6.976 3.539 8.795 1.00 10.00 C ATOM 1022 O ARG A 68 6.204 4.242 8.146 1.00 10.00 O ATOM 1023 CB ARG A 68 6.555 2.148 10.919 1.00 10.00 C ATOM 1024 CG ARG A 68 5.193 1.827 11.536 1.00 10.00 C ATOM 1025 CD ARG A 68 4.984 0.308 11.580 1.00 10.00 C ATOM 1026 NE ARG A 68 3.591 -0.002 11.930 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.156 -1.072 12.613 1.00 10.00 C ATOM 1028 NH1 ARG A 68 3.957 -2.102 12.894 1.00 10.00 N ATOM 1029 NH2 ARG A 68 1.894 -1.086 13.024 1.00 10.00 N ATOM 0 H ARG A 68 7.754 0.517 9.595 1.00 10.00 H new ATOM 0 HA ARG A 68 5.489 2.046 9.058 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.281 1.403 11.245 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.899 3.113 11.292 1.00 10.00 H new ATOM 0 HG2 ARG A 68 5.134 2.240 12.543 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.400 2.295 10.952 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.229 -0.128 10.612 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.658 -0.138 12.311 1.00 10.00 H new ATOM 0 HE ARG A 68 2.882 0.664 11.622 1.00 10.00 H new ATOM 0 HH11 ARG A 68 4.930 -2.090 12.588 1.00 10.00 H new ATOM 0 HH12 ARG A 68 3.596 -2.901 13.415 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.282 -0.296 12.819 1.00 10.00 H new ATOM 0 HH22 ARG A 68 1.536 -1.886 13.545 1.00 10.00 H new ATOM 1043 N GLU A 69 8.247 3.888 8.992 1.00 10.00 N ATOM 1044 CA GLU A 69 8.900 5.047 8.415 1.00 10.00 C ATOM 1045 C GLU A 69 8.607 5.128 6.923 1.00 10.00 C ATOM 1046 O GLU A 69 8.018 6.100 6.449 1.00 10.00 O ATOM 1047 CB GLU A 69 10.396 5.006 8.753 1.00 10.00 C ATOM 1048 CG GLU A 69 10.661 5.222 10.252 1.00 10.00 C ATOM 1049 CD GLU A 69 10.028 6.494 10.802 1.00 10.00 C ATOM 1050 OE1 GLU A 69 10.245 7.580 10.218 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.201 6.405 11.740 1.00 10.00 O ATOM 0 H GLU A 69 8.871 3.342 9.586 1.00 10.00 H new ATOM 0 HA GLU A 69 8.504 5.967 8.845 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.809 4.044 8.448 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.917 5.773 8.180 1.00 10.00 H new ATOM 0 HG2 GLU A 69 10.279 4.366 10.808 1.00 10.00 H new ATOM 0 HG3 GLU A 69 11.737 5.258 10.422 1.00 10.00 H new ATOM 1058 N LEU A 70 8.953 4.066 6.201 1.00 10.00 N ATOM 1059 CA LEU A 70 8.646 3.971 4.785 1.00 10.00 C ATOM 1060 C LEU A 70 7.175 4.256 4.479 1.00 10.00 C ATOM 1061 O LEU A 70 6.871 4.925 3.495 1.00 10.00 O ATOM 1062 CB LEU A 70 9.061 2.608 4.202 1.00 10.00 C ATOM 1063 CG LEU A 70 10.274 2.669 3.263 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.241 3.878 2.318 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.565 2.676 4.079 1.00 10.00 C ATOM 0 H LEU A 70 9.448 3.258 6.579 1.00 10.00 H new ATOM 0 HA LEU A 70 9.236 4.748 4.299 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.285 1.927 5.023 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.216 2.185 3.659 1.00 10.00 H new ATOM 0 HG LEU A 70 10.234 1.779 2.636 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.125 3.865 1.680 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.345 3.831 1.699 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.230 4.797 2.904 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.421 2.719 3.405 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.576 3.546 4.736 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.621 1.768 4.679 1.00 10.00 H new ATOM 1077 N SER A 71 6.244 3.768 5.298 1.00 10.00 N ATOM 1078 CA SER A 71 4.833 3.934 5.005 1.00 10.00 C ATOM 1079 C SER A 71 4.506 5.422 4.985 1.00 10.00 C ATOM 1080 O SER A 71 3.832 5.887 4.069 1.00 10.00 O ATOM 1081 CB SER A 71 3.971 3.074 5.949 1.00 10.00 C ATOM 1082 OG SER A 71 3.589 3.758 7.125 1.00 10.00 O ATOM 0 H SER A 71 6.445 3.260 6.160 1.00 10.00 H new ATOM 0 HA SER A 71 4.587 3.557 4.012 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.077 2.747 5.419 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.526 2.176 6.222 1.00 10.00 H new ATOM 0 HG SER A 71 4.390 4.028 7.621 1.00 10.00 H new ATOM 1088 N LYS A 72 5.053 6.188 5.931 1.00 10.00 N ATOM 1089 CA LYS A 72 4.843 7.631 5.946 1.00 10.00 C ATOM 1090 C LYS A 72 5.301 8.223 4.617 1.00 10.00 C ATOM 1091 O LYS A 72 4.546 8.909 3.933 1.00 10.00 O ATOM 1092 CB LYS A 72 5.586 8.281 7.118 1.00 10.00 C ATOM 1093 CG LYS A 72 5.088 7.688 8.440 1.00 10.00 C ATOM 1094 CD LYS A 72 5.701 8.397 9.661 1.00 10.00 C ATOM 1095 CE LYS A 72 7.125 7.864 9.837 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.915 8.465 10.925 1.00 10.00 N ATOM 0 H LYS A 72 5.638 5.835 6.688 1.00 10.00 H new ATOM 0 HA LYS A 72 3.780 7.834 6.080 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.659 8.117 7.016 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.426 9.359 7.109 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.002 7.765 8.485 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.334 6.627 8.476 1.00 10.00 H new ATOM 0 HD2 LYS A 72 5.712 9.477 9.512 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.107 8.205 10.554 1.00 10.00 H new ATOM 0 HE2 LYS A 72 7.070 6.789 10.008 1.00 10.00 H new ATOM 0 HE3 LYS A 72 7.664 8.011 8.901 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 8.843 8.759 10.559 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.413 9.294 11.302 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 8.048 7.767 11.684 1.00 10.00 H new ATOM 1110 N THR A 73 6.534 7.893 4.247 1.00 10.00 N ATOM 1111 CA THR A 73 7.154 8.273 2.983 1.00 10.00 C ATOM 1112 C THR A 73 6.253 7.922 1.791 1.00 10.00 C ATOM 1113 O THR A 73 6.192 8.671 0.819 1.00 10.00 O ATOM 1114 CB THR A 73 8.529 7.592 2.884 1.00 10.00 C ATOM 1115 OG1 THR A 73 9.173 7.685 4.141 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.433 8.223 1.824 1.00 10.00 C ATOM 0 H THR A 73 7.150 7.335 4.839 1.00 10.00 H new ATOM 0 HA THR A 73 7.291 9.354 2.953 1.00 10.00 H new ATOM 0 HB THR A 73 8.358 6.556 2.592 1.00 10.00 H new ATOM 0 HG1 THR A 73 10.051 7.252 4.092 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.389 7.699 1.802 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.955 8.148 0.847 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.600 9.272 2.066 1.00 10.00 H new ATOM 1124 N PHE A 74 5.558 6.783 1.863 1.00 10.00 N ATOM 1125 CA PHE A 74 4.689 6.291 0.804 1.00 10.00 C ATOM 1126 C PHE A 74 3.276 6.876 0.850 1.00 10.00 C ATOM 1127 O PHE A 74 2.508 6.609 -0.075 1.00 10.00 O ATOM 1128 CB PHE A 74 4.596 4.766 0.890 1.00 10.00 C ATOM 1129 CG PHE A 74 5.890 3.983 0.772 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.930 4.413 -0.077 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.958 2.708 1.362 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.069 3.610 -0.253 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.035 1.858 1.071 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.136 2.352 0.368 1.00 10.00 C ATOM 0 H PHE A 74 5.588 6.169 2.677 1.00 10.00 H new ATOM 0 HA PHE A 74 5.137 6.610 -0.137 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.132 4.509 1.842 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.922 4.424 0.105 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.851 5.359 -0.592 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.181 2.384 2.039 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.889 3.958 -0.863 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.013 0.826 1.389 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.041 1.766 0.302 1.00 10.00 H new ATOM 1144 N ILE A 75 2.895 7.612 1.903 1.00 10.00 N ATOM 1145 CA ILE A 75 1.565 8.233 1.919 1.00 10.00 C ATOM 1146 C ILE A 75 1.380 9.152 0.711 1.00 10.00 C ATOM 1147 O ILE A 75 2.201 10.031 0.460 1.00 10.00 O ATOM 1148 CB ILE A 75 1.247 8.970 3.237 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.903 7.909 4.287 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.051 9.931 3.108 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.886 8.450 5.720 1.00 10.00 C ATOM 0 H ILE A 75 3.467 7.788 2.729 1.00 10.00 H new ATOM 0 HA ILE A 75 0.845 7.418 1.853 1.00 10.00 H new ATOM 0 HB ILE A 75 2.116 9.567 3.513 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.074 7.484 4.056 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.627 7.097 4.222 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.127 10.421 4.065 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.269 10.683 2.350 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.837 9.370 2.818 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.635 7.644 6.410 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.869 8.849 5.970 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.142 9.242 5.801 1.00 10.00 H new ATOM 1163 N ILE A 76 0.266 8.964 -0.003 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.108 9.768 -1.164 1.00 10.00 C ATOM 1165 C ILE A 76 -1.509 10.373 -1.031 1.00 10.00 C ATOM 1166 O ILE A 76 -1.887 11.229 -1.830 1.00 10.00 O ATOM 1167 CB ILE A 76 -0.050 8.895 -2.428 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.759 7.550 -2.184 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.402 8.686 -2.874 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.339 6.952 -3.463 1.00 10.00 C ATOM 0 H ILE A 76 -0.412 8.234 0.216 1.00 10.00 H new ATOM 0 HA ILE A 76 0.601 10.593 -1.232 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.574 9.411 -3.233 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.052 6.845 -1.746 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.560 7.692 -1.458 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.422 8.066 -3.770 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.859 9.652 -3.091 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.959 8.192 -2.078 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.827 6.005 -3.233 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -2.068 7.642 -3.889 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.537 6.782 -4.181 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.321 9.893 -0.091 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.767 10.000 -0.233 1.00 10.00 C ATOM 1184 C GLY A 77 -4.429 9.324 0.940 1.00 10.00 C ATOM 1185 O GLY A 77 -3.742 8.776 1.804 1.00 10.00 O ATOM 0 H GLY A 77 -2.007 9.433 0.764 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.064 11.048 -0.280 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.089 9.536 -1.165 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.761 9.338 0.926 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.580 8.630 1.880 1.00 10.00 C ATOM 1191 C GLU A 78 -7.798 8.101 1.148 1.00 10.00 C ATOM 1192 O GLU A 78 -8.266 8.727 0.194 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.024 9.563 3.010 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.807 10.314 3.592 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.052 11.007 4.927 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -7.173 10.893 5.461 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -5.085 11.614 5.437 1.00 10.00 O ATOM 0 H GLU A 78 -6.302 9.855 0.233 1.00 10.00 H new ATOM 0 HA GLU A 78 -6.009 7.813 2.321 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.756 10.278 2.634 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.515 8.987 3.795 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.987 9.606 3.713 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.480 11.060 2.868 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.275 6.964 1.641 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.467 6.264 1.216 1.00 10.00 C ATOM 1206 C LEU A 79 -10.640 7.173 1.525 1.00 10.00 C ATOM 1207 O LEU A 79 -10.793 7.633 2.656 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.528 4.921 1.954 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.633 3.925 1.547 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.418 3.496 2.785 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.621 4.372 0.479 1.00 10.00 C ATOM 0 H LEU A 79 -7.800 6.478 2.402 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.479 6.037 0.150 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.566 4.425 1.826 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.640 5.129 3.018 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.079 3.108 1.085 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.198 2.792 2.495 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.744 3.018 3.496 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -11.873 4.371 3.249 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.340 3.575 0.292 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -12.147 5.263 0.821 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.084 4.599 -0.442 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.410 7.494 0.488 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.425 8.507 0.576 1.00 10.00 C ATOM 1225 C HIS A 80 -13.427 8.241 1.706 1.00 10.00 C ATOM 1226 O HIS A 80 -13.661 7.088 2.068 1.00 10.00 O ATOM 1227 CB HIS A 80 -13.076 8.671 -0.795 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.809 9.965 -0.939 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.164 10.162 -1.050 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.203 11.180 -0.849 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.367 11.492 -1.015 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.203 12.155 -0.882 1.00 10.00 N ATOM 0 H HIS A 80 -11.338 7.053 -0.429 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.965 9.457 0.850 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.308 8.606 -1.566 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.768 7.846 -0.964 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.141 11.358 -0.767 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.336 11.965 -1.084 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.077 13.165 -0.818 1.00 10.00 H new ATOM 1240 N PRO A 81 -14.026 9.280 2.309 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.950 9.051 3.400 1.00 10.00 C ATOM 1242 C PRO A 81 -16.314 8.568 2.976 1.00 10.00 C ATOM 1243 O PRO A 81 -16.920 7.759 3.669 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.114 10.395 4.109 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.849 11.163 3.725 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.621 10.678 2.301 1.00 10.00 C ATOM 0 HA PRO A 81 -14.538 8.261 4.029 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -16.014 10.915 3.779 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.195 10.271 5.189 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -13.994 12.242 3.773 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.010 10.925 4.379 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -14.210 11.255 1.588 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.576 10.784 2.011 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.796 9.065 1.837 1.00 10.00 N ATOM 1255 CA ASP A 82 -18.109 8.674 1.344 1.00 10.00 C ATOM 1256 C ASP A 82 -18.131 7.183 0.942 1.00 10.00 C ATOM 1257 O ASP A 82 -19.172 6.613 0.628 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.462 9.589 0.165 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.927 9.487 -0.236 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.775 9.716 0.651 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -20.164 9.255 -1.441 1.00 10.00 O ATOM 0 H ASP A 82 -16.300 9.732 1.246 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.856 8.788 2.129 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -18.232 10.621 0.429 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.836 9.332 -0.690 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.938 6.579 0.926 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.584 5.259 0.453 1.00 10.00 C ATOM 1268 C ASP A 83 -16.721 4.236 1.581 1.00 10.00 C ATOM 1269 O ASP A 83 -17.371 3.204 1.435 1.00 10.00 O ATOM 1270 CB ASP A 83 -15.106 5.368 0.015 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.879 4.937 -1.428 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -15.534 3.965 -1.855 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -14.019 5.558 -2.090 1.00 10.00 O ATOM 0 H ASP A 83 -16.117 7.065 1.285 1.00 10.00 H new ATOM 0 HA ASP A 83 -17.232 4.932 -0.360 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.772 6.398 0.137 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.492 4.753 0.673 1.00 10.00 H new ATOM 1278 N ARG A 84 -16.018 4.519 2.681 1.00 10.00 N ATOM 1279 CA ARG A 84 -15.770 3.585 3.767 1.00 10.00 C ATOM 1280 C ARG A 84 -17.027 3.219 4.556 1.00 10.00 C ATOM 1281 O ARG A 84 -17.100 2.043 4.982 1.00 10.00 O ATOM 1282 CB ARG A 84 -14.705 4.194 4.687 1.00 10.00 C ATOM 1283 CG ARG A 84 -14.153 3.176 5.692 1.00 10.00 C ATOM 1284 CD ARG A 84 -14.888 3.262 7.038 1.00 10.00 C ATOM 1285 NE ARG A 84 -14.569 2.118 7.903 1.00 10.00 N ATOM 1286 CZ ARG A 84 -15.236 0.950 7.926 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -16.235 0.707 7.075 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -14.892 0.016 8.820 1.00 10.00 N ATOM 1289 OXT ARG A 84 -17.831 4.130 4.845 1.00 10.00 O ATOM 0 H ARG A 84 -15.596 5.434 2.839 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.420 2.648 3.335 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -13.887 4.585 4.083 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.134 5.038 5.227 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.253 2.170 5.285 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.089 3.354 5.845 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -14.615 4.188 7.544 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -15.963 3.299 6.864 1.00 10.00 H new ATOM 0 HE ARG A 84 -13.777 2.218 8.538 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -16.505 1.414 6.391 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -16.728 -0.185 7.109 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -14.131 0.193 9.475 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -15.391 -0.873 8.846 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 5.697 -5.782 3.883 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.032 -8.032 5.074 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.016 -3.203 4.291 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.255 -3.492 3.105 1.00 10.00 C HETATM 1308 CHD HEM A 201 3.514 -8.428 3.267 1.00 10.00 C HETATM 1309 NA HEM A 201 7.628 -5.642 4.553 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.334 -6.690 5.018 1.00 10.00 C HETATM 1311 C2A HEM A 201 9.549 -6.197 5.580 1.00 10.00 C HETATM 1312 C3A HEM A 201 9.656 -4.871 5.220 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.376 -4.497 4.662 1.00 10.00 C HETATM 1314 CMA HEM A 201 10.884 -3.995 5.266 1.00 10.00 C HETATM 1315 CAA HEM A 201 10.331 -7.055 6.546 1.00 10.00 C HETATM 1316 CBA HEM A 201 11.032 -6.393 7.695 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.247 -5.278 8.393 1.00 10.00 C HETATM 1318 O1A HEM A 201 9.333 -5.610 9.180 1.00 10.00 O HETATM 1319 O2A HEM A 201 10.597 -4.100 8.181 1.00 10.00 O HETATM 1320 NB HEM A 201 5.667 -3.738 3.642 1.00 10.00 N HETATM 1321 C1B HEM A 201 6.735 -2.887 3.830 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.284 -1.546 3.538 1.00 10.00 C HETATM 1323 C3B HEM A 201 4.950 -1.648 3.224 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.551 -3.027 3.314 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.080 -0.287 3.760 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.074 -0.560 2.635 1.00 10.00 C HETATM 1327 CBB HEM A 201 3.634 0.454 3.405 1.00 10.00 C HETATM 1328 NC HEM A 201 3.740 -5.927 3.342 1.00 10.00 N HETATM 1329 C1C HEM A 201 2.916 -4.844 3.127 1.00 10.00 C HETATM 1330 C2C HEM A 201 1.580 -5.354 2.941 1.00 10.00 C HETATM 1331 C3C HEM A 201 1.704 -6.715 2.868 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.050 -7.105 3.185 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.286 -4.585 2.928 1.00 10.00 C HETATM 1334 CAC HEM A 201 0.618 -7.640 2.385 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.869 -8.484 1.363 1.00 10.00 C HETATM 1336 ND HEM A 201 5.778 -7.889 4.092 1.00 10.00 N HETATM 1337 C1D HEM A 201 4.799 -8.754 3.704 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.331 -10.096 3.839 1.00 10.00 C HETATM 1339 C3D HEM A 201 6.575 -9.977 4.421 1.00 10.00 C HETATM 1340 C4D HEM A 201 6.853 -8.569 4.562 1.00 10.00 C HETATM 1341 CMD HEM A 201 4.665 -11.390 3.414 1.00 10.00 C HETATM 1342 CAD HEM A 201 7.569 -11.081 4.699 1.00 10.00 C HETATM 1343 CBD HEM A 201 7.876 -11.258 6.192 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.355 -11.565 6.391 1.00 10.00 C HETATM 1345 O1D HEM A 201 10.152 -10.617 6.205 1.00 10.00 O HETATM 1346 O2D HEM A 201 9.663 -12.734 6.701 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.484 -4.255 6.138 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 10.583 -2.949 5.332 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.473 -4.147 4.362 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 7.757 -0.428 4.603 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.402 0.539 3.974 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 7.658 -0.060 2.865 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -0.430 -5.088 2.278 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 0.466 -3.576 2.557 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -0.117 -4.533 3.940 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 3.583 -11.282 3.483 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 4.991 -12.199 4.068 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 4.942 -11.621 2.385 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.005 1.232 2.974 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 3.908 0.496 4.459 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 0.088 -9.157 1.007 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 1.852 -8.493 0.893 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.973 -5.979 7.334 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 11.281 -7.155 8.433 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 11.080 -7.600 5.972 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 9.646 -7.795 6.959 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 7.271 -12.066 6.602 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 7.609 -10.352 6.736 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 8.496 -10.868 4.167 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.181 -12.019 4.301 1.00 10.00 H new HETATM 0 HHA HEM A 201 8.743 -8.700 5.537 1.00 10.00 H new HETATM 0 HHB HEM A 201 8.753 -2.417 4.362 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.474 -2.770 2.917 1.00 10.00 H new HETATM 0 HHD HEM A 201 2.848 -9.228 2.979 1.00 10.00 H new HETATM 0 HAB HEM A 201 3.798 -0.598 1.581 1.00 10.00 H new HETATM 0 HAC HEM A 201 -0.364 -7.628 2.858 1.00 10.00 H new