USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 659 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 64 SER OG : rot -127:sc= 1.27 USER MOD Set 1.2: A 65 THR OG1 : rot 53:sc= 1.29 USER MOD Set 2.1: A 49 GLN : amide:sc= 1.96 K(o=1.8,f=-2.8) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.178 K(o=1.8,f=-1.6!) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -1.58 K(o=-1,f=-8.2!) USER MOD Set 3.2: A 20 SER OG : rot 164:sc= 0.56 USER MOD Set 4.1: A 13 GLN : amide:sc= -0.43! C(o=0.72!,f=-11!) USER MOD Set 4.2: A 14 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.03) USER MOD Set 5.1: A 5 LYS NZ :NH3+ -163:sc= 1.2 (180deg=0) USER MOD Set 5.2: A 7 TYR OH : rot 142:sc= 2.39 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 16 ASN : amide:sc= 1.02 K(o=1,f=-10!) USER MOD Single : A 17 ASN : amide:sc= -0.226 K(o=-0.23,f=-7.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.925 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -152:sc= -0.205 USER MOD Single : A 26 HIS : no HE2:sc= 0.148 K(o=0.15,f=-6!) USER MOD Single : A 27 TYR OH : rot 30:sc= 0.171 USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= 2.41 (180deg=2.16) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 94:sc= 1.45 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 88:sc= 1.59 USER MOD Single : A 61 HIS : no HD1:sc= -0.499 K(o=-0.5,f=-5.7!) USER MOD Single : A 71 SER OG : rot -60:sc= 1.21 USER MOD Single : A 72 LYS NZ :NH3+ -129:sc= 0.584 (180deg=-3.48!) USER MOD Single : A 73 THR OG1 : rot -32:sc= 0.329 USER MOD Single : A 80 HIS : no HD1:sc= -0.875 X(o=-0.87,f=-1.1) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.175 (180deg=-0.413) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.842 (180deg=-4.46!) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.471 (180deg=-0.471) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.0315 (180deg=-0.399) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -6.504 21.504 2.152 1.00 10.00 N ATOM 2 CA ALA A 3 -7.188 20.281 2.608 1.00 10.00 C ATOM 3 C ALA A 3 -6.267 19.114 2.268 1.00 10.00 C ATOM 4 O ALA A 3 -5.101 19.384 1.982 1.00 10.00 O ATOM 5 CB ALA A 3 -8.577 20.155 1.970 1.00 10.00 C ATOM 0 HA ALA A 3 -7.372 20.301 3.682 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -9.059 19.244 2.324 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -9.184 21.017 2.246 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -8.477 20.114 0.885 1.00 10.00 H new ATOM 13 N VAL A 4 -6.764 17.876 2.278 1.00 10.00 N ATOM 14 CA VAL A 4 -6.038 16.740 1.722 1.00 10.00 C ATOM 15 C VAL A 4 -6.235 16.760 0.199 1.00 10.00 C ATOM 16 O VAL A 4 -6.495 17.817 -0.376 1.00 10.00 O ATOM 17 CB VAL A 4 -6.517 15.409 2.354 1.00 10.00 C ATOM 18 CG1 VAL A 4 -5.310 14.490 2.574 1.00 10.00 C ATOM 19 CG2 VAL A 4 -7.273 15.556 3.675 1.00 10.00 C ATOM 0 H VAL A 4 -7.675 17.637 2.670 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.975 16.816 1.952 1.00 10.00 H new ATOM 0 HB VAL A 4 -7.230 14.988 1.645 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.643 13.552 3.019 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.828 14.287 1.618 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -4.599 14.976 3.242 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.567 14.571 4.038 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -6.629 16.037 4.411 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.163 16.165 3.519 1.00 10.00 H new ATOM 29 N LYS A 5 -6.206 15.585 -0.437 1.00 10.00 N ATOM 30 CA LYS A 5 -6.992 15.348 -1.633 1.00 10.00 C ATOM 31 C LYS A 5 -8.115 14.401 -1.230 1.00 10.00 C ATOM 32 O LYS A 5 -9.285 14.659 -1.489 1.00 10.00 O ATOM 33 CB LYS A 5 -6.162 14.664 -2.731 1.00 10.00 C ATOM 34 CG LYS A 5 -4.867 15.364 -3.153 1.00 10.00 C ATOM 35 CD LYS A 5 -4.248 14.472 -4.241 1.00 10.00 C ATOM 36 CE LYS A 5 -2.830 14.880 -4.653 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.284 13.940 -5.657 1.00 10.00 N ATOM 0 H LYS A 5 -5.644 14.788 -0.137 1.00 10.00 H new ATOM 0 HA LYS A 5 -7.354 16.298 -2.027 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -5.910 13.660 -2.391 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -6.792 14.553 -3.614 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -5.069 16.365 -3.535 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.189 15.477 -2.307 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -4.229 13.442 -3.884 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -4.891 14.492 -5.121 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.842 15.890 -5.062 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.183 14.899 -3.776 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -1.251 14.050 -5.710 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -2.514 12.964 -5.380 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -2.702 14.144 -6.587 1.00 10.00 H new ATOM 51 N TYR A 6 -7.698 13.290 -0.609 1.00 10.00 N ATOM 52 CA TYR A 6 -8.409 12.034 -0.623 1.00 10.00 C ATOM 53 C TYR A 6 -8.524 11.484 -2.037 1.00 10.00 C ATOM 54 O TYR A 6 -8.391 12.169 -3.050 1.00 10.00 O ATOM 55 CB TYR A 6 -9.769 12.082 0.079 1.00 10.00 C ATOM 56 CG TYR A 6 -9.780 11.889 1.573 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.962 10.590 2.061 1.00 10.00 C ATOM 58 CD2 TYR A 6 -9.797 12.978 2.461 1.00 10.00 C ATOM 59 CE1 TYR A 6 -10.059 10.354 3.435 1.00 10.00 C ATOM 60 CE2 TYR A 6 -9.964 12.749 3.839 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.082 11.436 4.330 1.00 10.00 C ATOM 62 OH TYR A 6 -10.335 11.219 5.652 1.00 10.00 O ATOM 0 H TYR A 6 -6.831 13.254 -0.072 1.00 10.00 H new ATOM 0 HA TYR A 6 -7.806 11.343 -0.033 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.229 13.046 -0.140 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.406 11.317 -0.365 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -10.028 9.763 1.370 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -9.683 13.985 2.088 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -10.116 9.342 3.808 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.002 13.584 4.522 1.00 10.00 H new ATOM 0 HH TYR A 6 -10.314 12.072 6.134 1.00 10.00 H new ATOM 72 N TYR A 7 -8.688 10.174 -2.031 1.00 10.00 N ATOM 73 CA TYR A 7 -8.613 9.254 -3.123 1.00 10.00 C ATOM 74 C TYR A 7 -9.730 8.239 -2.889 1.00 10.00 C ATOM 75 O TYR A 7 -9.983 7.808 -1.766 1.00 10.00 O ATOM 76 CB TYR A 7 -7.224 8.623 -3.009 1.00 10.00 C ATOM 77 CG TYR A 7 -6.098 9.121 -3.908 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.219 10.292 -4.692 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.816 8.602 -3.666 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.072 10.996 -5.099 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.675 9.331 -4.034 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.804 10.561 -4.692 1.00 10.00 C ATOM 83 OH TYR A 7 -2.741 11.421 -4.726 1.00 10.00 O ATOM 0 H TYR A 7 -8.900 9.688 -1.160 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.737 9.688 -4.115 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.895 8.742 -1.977 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.335 7.553 -3.187 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.198 10.647 -4.980 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.708 7.637 -3.194 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.168 11.871 -5.725 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.693 8.942 -3.809 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.170 11.267 -3.944 1.00 10.00 H new ATOM 93 N THR A 8 -10.450 7.913 -3.950 1.00 10.00 N ATOM 94 CA THR A 8 -11.671 7.134 -3.876 1.00 10.00 C ATOM 95 C THR A 8 -11.319 5.658 -4.055 1.00 10.00 C ATOM 96 O THR A 8 -10.334 5.338 -4.723 1.00 10.00 O ATOM 97 CB THR A 8 -12.596 7.614 -4.996 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.868 7.606 -6.210 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.054 9.051 -4.738 1.00 10.00 C ATOM 0 H THR A 8 -10.197 8.187 -4.900 1.00 10.00 H new ATOM 0 HA THR A 8 -12.170 7.257 -2.915 1.00 10.00 H new ATOM 0 HB THR A 8 -13.465 6.957 -5.042 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.447 7.910 -6.940 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.711 9.374 -5.546 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.593 9.097 -3.792 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.185 9.707 -4.693 1.00 10.00 H new ATOM 107 N LEU A 9 -12.114 4.742 -3.502 1.00 10.00 N ATOM 108 CA LEU A 9 -11.925 3.318 -3.754 1.00 10.00 C ATOM 109 C LEU A 9 -11.931 3.046 -5.252 1.00 10.00 C ATOM 110 O LEU A 9 -11.082 2.296 -5.725 1.00 10.00 O ATOM 111 CB LEU A 9 -12.914 2.482 -2.944 1.00 10.00 C ATOM 112 CG LEU A 9 -13.031 0.998 -3.340 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.440 0.183 -2.108 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.085 0.766 -4.434 1.00 10.00 C ATOM 0 H LEU A 9 -12.891 4.962 -2.879 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.943 3.003 -3.401 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.628 2.535 -1.893 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.900 2.939 -3.030 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.060 0.687 -3.726 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.525 -0.869 -2.380 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.686 0.297 -1.330 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.401 0.541 -1.737 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.129 -0.296 -4.678 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.060 1.097 -4.076 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.815 1.332 -5.325 1.00 10.00 H new ATOM 126 N GLU A 10 -12.825 3.724 -5.983 1.00 10.00 N ATOM 127 CA GLU A 10 -12.839 3.775 -7.440 1.00 10.00 C ATOM 128 C GLU A 10 -11.408 3.779 -7.984 1.00 10.00 C ATOM 129 O GLU A 10 -11.013 2.839 -8.670 1.00 10.00 O ATOM 130 CB GLU A 10 -13.618 5.023 -7.887 1.00 10.00 C ATOM 131 CG GLU A 10 -13.847 5.121 -9.402 1.00 10.00 C ATOM 132 CD GLU A 10 -14.818 4.067 -9.914 1.00 10.00 C ATOM 133 OE1 GLU A 10 -16.029 4.240 -9.674 1.00 10.00 O ATOM 134 OE2 GLU A 10 -14.322 3.100 -10.535 1.00 10.00 O ATOM 0 H GLU A 10 -13.578 4.266 -5.559 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.335 2.891 -7.841 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.585 5.031 -7.385 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -13.079 5.910 -7.555 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -14.230 6.112 -9.645 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.893 5.013 -9.918 1.00 10.00 H new ATOM 141 N GLU A 11 -10.624 4.804 -7.632 1.00 10.00 N ATOM 142 CA GLU A 11 -9.230 4.921 -8.042 1.00 10.00 C ATOM 143 C GLU A 11 -8.408 3.798 -7.429 1.00 10.00 C ATOM 144 O GLU A 11 -7.598 3.156 -8.098 1.00 10.00 O ATOM 145 CB GLU A 11 -8.636 6.247 -7.532 1.00 10.00 C ATOM 146 CG GLU A 11 -9.214 7.492 -8.217 1.00 10.00 C ATOM 147 CD GLU A 11 -8.590 7.742 -9.585 1.00 10.00 C ATOM 148 OE1 GLU A 11 -8.956 7.003 -10.523 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.760 8.673 -9.659 1.00 10.00 O ATOM 0 H GLU A 11 -10.946 5.578 -7.051 1.00 10.00 H new ATOM 0 HA GLU A 11 -9.198 4.876 -9.131 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.809 6.322 -6.458 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.556 6.231 -7.681 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.292 7.375 -8.328 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -9.051 8.362 -7.581 1.00 10.00 H new ATOM 156 N ILE A 12 -8.551 3.612 -6.120 1.00 10.00 N ATOM 157 CA ILE A 12 -7.606 2.810 -5.375 1.00 10.00 C ATOM 158 C ILE A 12 -7.566 1.377 -5.902 1.00 10.00 C ATOM 159 O ILE A 12 -6.477 0.825 -6.041 1.00 10.00 O ATOM 160 CB ILE A 12 -7.871 2.909 -3.860 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.659 4.344 -3.340 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.959 1.973 -3.063 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.494 4.643 -2.099 1.00 10.00 C ATOM 0 H ILE A 12 -9.309 4.006 -5.563 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.604 3.210 -5.529 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.911 2.616 -3.717 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.604 4.491 -3.109 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.915 5.054 -4.126 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.176 2.072 -1.999 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.133 0.943 -3.375 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.917 2.237 -3.247 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.308 5.666 -1.773 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.552 4.524 -2.335 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.220 3.953 -1.301 1.00 10.00 H new ATOM 175 N GLN A 13 -8.721 0.800 -6.255 1.00 10.00 N ATOM 176 CA GLN A 13 -8.773 -0.524 -6.884 1.00 10.00 C ATOM 177 C GLN A 13 -7.847 -0.547 -8.102 1.00 10.00 C ATOM 178 O GLN A 13 -7.110 -1.491 -8.378 1.00 10.00 O ATOM 179 CB GLN A 13 -10.165 -0.766 -7.492 1.00 10.00 C ATOM 180 CG GLN A 13 -11.376 -0.894 -6.570 1.00 10.00 C ATOM 181 CD GLN A 13 -12.661 -0.840 -7.400 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.654 -0.126 -8.434 1.00 10.00 O ATOM 183 NE2 GLN A 13 -13.618 -1.542 -7.015 1.00 10.00 N ATOM 0 H GLN A 13 -9.635 1.231 -6.115 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.508 -1.255 -6.120 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.366 0.052 -8.184 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.108 -1.679 -8.085 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -11.327 -1.832 -6.017 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.372 -0.090 -5.834 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -13.535 -2.092 -6.160 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -14.483 -1.566 -7.555 1.00 10.00 H new ATOM 190 N LYS A 14 -8.029 0.512 -8.880 1.00 10.00 N ATOM 191 CA LYS A 14 -7.640 0.701 -10.253 1.00 10.00 C ATOM 192 C LYS A 14 -6.121 0.833 -10.315 1.00 10.00 C ATOM 193 O LYS A 14 -5.470 0.294 -11.211 1.00 10.00 O ATOM 194 CB LYS A 14 -8.382 1.969 -10.706 1.00 10.00 C ATOM 195 CG LYS A 14 -9.051 1.865 -12.075 1.00 10.00 C ATOM 196 CD LYS A 14 -10.357 1.048 -11.957 1.00 10.00 C ATOM 197 CE LYS A 14 -11.540 1.929 -11.505 1.00 10.00 C ATOM 198 NZ LYS A 14 -12.459 1.270 -10.544 1.00 10.00 N ATOM 0 H LYS A 14 -8.503 1.340 -8.518 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.898 -0.129 -10.911 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.142 2.213 -9.964 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.676 2.799 -10.724 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -9.268 2.861 -12.461 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.375 1.388 -12.785 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -10.589 0.592 -12.919 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -10.215 0.235 -11.245 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.148 2.838 -11.050 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -12.109 2.233 -12.384 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -13.196 1.943 -10.251 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -12.903 0.446 -10.997 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.923 0.959 -9.709 1.00 10.00 H new ATOM 212 N HIS A 15 -5.555 1.516 -9.320 1.00 10.00 N ATOM 213 CA HIS A 15 -4.124 1.652 -9.124 1.00 10.00 C ATOM 214 C HIS A 15 -3.515 0.347 -8.588 1.00 10.00 C ATOM 215 O HIS A 15 -2.983 0.273 -7.481 1.00 10.00 O ATOM 216 CB HIS A 15 -3.854 2.850 -8.220 1.00 10.00 C ATOM 217 CG HIS A 15 -3.917 4.178 -8.937 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.867 5.055 -9.090 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.978 4.687 -9.638 1.00 10.00 C ATOM 220 CE1 HIS A 15 -3.287 6.066 -9.867 1.00 10.00 C ATOM 221 NE2 HIS A 15 -4.563 5.882 -10.233 1.00 10.00 N ATOM 0 H HIS A 15 -6.102 2.002 -8.610 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.635 1.839 -10.080 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.580 2.851 -7.407 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.869 2.738 -7.767 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.960 4.244 -9.717 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.680 6.911 -10.157 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -5.121 6.494 -10.828 1.00 10.00 H new ATOM 229 N ASN A 16 -3.562 -0.676 -9.433 1.00 10.00 N ATOM 230 CA ASN A 16 -2.898 -1.968 -9.277 1.00 10.00 C ATOM 231 C ASN A 16 -2.471 -2.439 -10.681 1.00 10.00 C ATOM 232 O ASN A 16 -2.449 -3.624 -11.014 1.00 10.00 O ATOM 233 CB ASN A 16 -3.846 -2.936 -8.539 1.00 10.00 C ATOM 234 CG ASN A 16 -3.159 -4.224 -8.075 1.00 10.00 C ATOM 235 OD1 ASN A 16 -2.103 -4.592 -8.582 1.00 10.00 O ATOM 236 ND2 ASN A 16 -3.717 -4.914 -7.081 1.00 10.00 N ATOM 0 H ASN A 16 -4.098 -0.624 -10.300 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.998 -1.913 -8.664 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -4.271 -2.427 -7.674 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.676 -3.192 -9.197 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.267 -5.760 -6.732 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.595 -4.596 -6.669 1.00 10.00 H new ATOM 243 N ASN A 17 -2.152 -1.485 -11.559 1.00 10.00 N ATOM 244 CA ASN A 17 -2.193 -1.659 -13.010 1.00 10.00 C ATOM 245 C ASN A 17 -0.828 -1.438 -13.662 1.00 10.00 C ATOM 246 O ASN A 17 -0.756 -1.158 -14.855 1.00 10.00 O ATOM 247 CB ASN A 17 -3.279 -0.745 -13.605 1.00 10.00 C ATOM 248 CG ASN A 17 -3.065 0.736 -13.289 1.00 10.00 C ATOM 249 OD1 ASN A 17 -2.502 1.084 -12.254 1.00 10.00 O ATOM 250 ND2 ASN A 17 -3.511 1.627 -14.169 1.00 10.00 N ATOM 0 H ASN A 17 -1.852 -0.553 -11.274 1.00 10.00 H new ATOM 0 HA ASN A 17 -2.453 -2.695 -13.227 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -3.304 -0.878 -14.687 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -4.252 -1.054 -13.224 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -3.389 2.624 -13.992 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -3.975 1.314 -15.021 1.00 10.00 H new ATOM 257 N SER A 18 0.256 -1.604 -12.896 1.00 10.00 N ATOM 258 CA SER A 18 1.636 -1.596 -13.384 1.00 10.00 C ATOM 259 C SER A 18 1.982 -0.176 -13.815 1.00 10.00 C ATOM 260 O SER A 18 2.385 0.091 -14.945 1.00 10.00 O ATOM 261 CB SER A 18 1.862 -2.640 -14.488 1.00 10.00 C ATOM 262 OG SER A 18 1.483 -3.930 -14.030 1.00 10.00 O ATOM 0 H SER A 18 0.193 -1.752 -11.889 1.00 10.00 H new ATOM 0 HA SER A 18 2.316 -1.891 -12.585 1.00 10.00 H new ATOM 0 HB2 SER A 18 1.282 -2.376 -15.372 1.00 10.00 H new ATOM 0 HB3 SER A 18 2.911 -2.645 -14.784 1.00 10.00 H new ATOM 0 HG SER A 18 1.630 -4.586 -14.743 1.00 10.00 H new ATOM 268 N LYS A 19 1.744 0.726 -12.867 1.00 10.00 N ATOM 269 CA LYS A 19 1.684 2.168 -13.008 1.00 10.00 C ATOM 270 C LYS A 19 1.799 2.731 -11.594 1.00 10.00 C ATOM 271 O LYS A 19 2.706 3.494 -11.280 1.00 10.00 O ATOM 272 CB LYS A 19 0.313 2.555 -13.584 1.00 10.00 C ATOM 273 CG LYS A 19 0.051 2.247 -15.061 1.00 10.00 C ATOM 274 CD LYS A 19 1.044 2.954 -15.991 1.00 10.00 C ATOM 275 CE LYS A 19 0.623 2.754 -17.453 1.00 10.00 C ATOM 276 NZ LYS A 19 1.553 3.415 -18.390 1.00 10.00 N ATOM 0 H LYS A 19 1.575 0.438 -11.903 1.00 10.00 H new ATOM 0 HA LYS A 19 2.468 2.546 -13.664 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -0.453 2.051 -12.995 1.00 10.00 H new ATOM 0 HB3 LYS A 19 0.176 3.626 -13.435 1.00 10.00 H new ATOM 0 HG2 LYS A 19 0.111 1.170 -15.221 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -0.963 2.551 -15.318 1.00 10.00 H new ATOM 0 HD2 LYS A 19 1.081 4.018 -15.756 1.00 10.00 H new ATOM 0 HD3 LYS A 19 2.047 2.558 -15.835 1.00 10.00 H new ATOM 0 HE2 LYS A 19 0.580 1.688 -17.676 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -0.382 3.151 -17.599 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 1.233 3.256 -19.367 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 1.575 4.436 -18.195 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 2.507 3.019 -18.269 1.00 10.00 H new ATOM 290 N SER A 20 0.868 2.277 -10.755 1.00 10.00 N ATOM 291 CA SER A 20 0.789 2.432 -9.332 1.00 10.00 C ATOM 292 C SER A 20 0.400 1.043 -8.840 1.00 10.00 C ATOM 293 O SER A 20 -0.357 0.348 -9.523 1.00 10.00 O ATOM 294 CB SER A 20 -0.360 3.366 -8.986 1.00 10.00 C ATOM 295 OG SER A 20 -0.001 4.731 -9.025 1.00 10.00 O ATOM 0 H SER A 20 0.077 1.739 -11.108 1.00 10.00 H new ATOM 0 HA SER A 20 1.712 2.823 -8.905 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.181 3.193 -9.681 1.00 10.00 H new ATOM 0 HB3 SER A 20 -0.729 3.123 -7.990 1.00 10.00 H new ATOM 0 HG SER A 20 -0.811 5.282 -9.044 1.00 10.00 H new ATOM 301 N THR A 21 0.895 0.666 -7.671 1.00 10.00 N ATOM 302 CA THR A 21 0.323 -0.376 -6.829 1.00 10.00 C ATOM 303 C THR A 21 -0.017 0.243 -5.470 1.00 10.00 C ATOM 304 O THR A 21 0.879 0.489 -4.662 1.00 10.00 O ATOM 305 CB THR A 21 1.293 -1.557 -6.765 1.00 10.00 C ATOM 306 OG1 THR A 21 1.516 -2.000 -8.090 1.00 10.00 O ATOM 307 CG2 THR A 21 0.727 -2.728 -5.962 1.00 10.00 C ATOM 0 H THR A 21 1.731 1.089 -7.269 1.00 10.00 H new ATOM 0 HA THR A 21 -0.606 -0.777 -7.234 1.00 10.00 H new ATOM 0 HB THR A 21 2.208 -1.225 -6.275 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.736 -2.955 -8.083 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.452 -3.542 -5.945 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.522 -2.404 -4.942 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.197 -3.074 -6.426 1.00 10.00 H new ATOM 315 N TRP A 22 -1.307 0.536 -5.262 1.00 10.00 N ATOM 316 CA TRP A 22 -1.859 1.280 -4.135 1.00 10.00 C ATOM 317 C TRP A 22 -2.374 0.323 -3.072 1.00 10.00 C ATOM 318 O TRP A 22 -2.799 -0.776 -3.401 1.00 10.00 O ATOM 319 CB TRP A 22 -2.989 2.196 -4.633 1.00 10.00 C ATOM 320 CG TRP A 22 -2.545 3.511 -5.201 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.295 3.798 -5.607 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.323 4.707 -5.495 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.256 5.045 -6.188 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.494 5.654 -6.162 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.653 5.084 -5.260 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.992 6.885 -6.628 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.187 6.270 -5.785 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.366 7.156 -6.500 1.00 10.00 C ATOM 0 H TRP A 22 -2.031 0.241 -5.917 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.076 1.892 -3.688 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.557 1.663 -5.395 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.670 2.388 -3.804 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.444 3.143 -5.493 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.417 5.466 -6.588 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.283 4.445 -4.659 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.329 7.610 -7.077 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.232 6.502 -5.639 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.788 8.042 -6.950 1.00 10.00 H new ATOM 339 N LEU A 23 -2.371 0.725 -1.802 1.00 10.00 N ATOM 340 CA LEU A 23 -3.041 -0.022 -0.745 1.00 10.00 C ATOM 341 C LEU A 23 -3.510 0.929 0.344 1.00 10.00 C ATOM 342 O LEU A 23 -2.954 2.023 0.476 1.00 10.00 O ATOM 343 CB LEU A 23 -2.171 -1.146 -0.149 1.00 10.00 C ATOM 344 CG LEU A 23 -0.721 -1.288 -0.616 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.110 -0.281 0.153 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.232 -2.713 -0.341 1.00 10.00 C ATOM 0 H LEU A 23 -1.906 1.574 -1.480 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.901 -0.514 -1.199 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.157 -1.013 0.933 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.675 -2.092 -0.347 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.635 -1.101 -1.686 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.152 -0.357 -0.157 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.257 0.725 -0.050 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.034 -0.486 1.221 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.801 -2.814 -0.674 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.290 -2.918 0.728 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.858 -3.423 -0.881 1.00 10.00 H new ATOM 358 N ILE A 24 -4.519 0.500 1.113 1.00 10.00 N ATOM 359 CA ILE A 24 -4.984 1.221 2.295 1.00 10.00 C ATOM 360 C ILE A 24 -4.353 0.613 3.535 1.00 10.00 C ATOM 361 O ILE A 24 -4.504 -0.581 3.775 1.00 10.00 O ATOM 362 CB ILE A 24 -6.522 1.206 2.464 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.357 1.289 1.175 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.933 2.341 3.413 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.713 0.597 1.357 1.00 10.00 C ATOM 0 H ILE A 24 -5.035 -0.360 0.928 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.685 2.261 2.161 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.747 0.219 2.869 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.511 2.333 0.903 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.813 0.822 0.354 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.016 2.337 3.537 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.456 2.196 4.382 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.619 3.297 2.994 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.285 0.669 0.432 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.555 -0.453 1.605 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.264 1.082 2.163 1.00 10.00 H new ATOM 377 N LEU A 25 -3.678 1.454 4.318 1.00 10.00 N ATOM 378 CA LEU A 25 -3.166 1.150 5.642 1.00 10.00 C ATOM 379 C LEU A 25 -3.784 2.222 6.548 1.00 10.00 C ATOM 380 O LEU A 25 -3.604 3.412 6.309 1.00 10.00 O ATOM 381 CB LEU A 25 -1.632 1.223 5.632 1.00 10.00 C ATOM 382 CG LEU A 25 -0.874 -0.047 5.208 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.348 -0.634 3.885 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.631 0.225 5.074 1.00 10.00 C ATOM 0 H LEU A 25 -3.467 2.409 4.027 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.421 0.148 5.986 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.336 2.033 4.965 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.300 1.497 6.633 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.080 -0.766 6.001 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.766 -1.526 3.654 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.403 -0.898 3.961 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.214 0.102 3.092 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.141 -0.690 4.773 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.796 0.996 4.321 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.026 0.563 6.032 1.00 10.00 H new ATOM 396 N HIS A 26 -4.564 1.833 7.556 1.00 10.00 N ATOM 397 CA HIS A 26 -5.085 2.741 8.579 1.00 10.00 C ATOM 398 C HIS A 26 -5.906 3.895 7.995 1.00 10.00 C ATOM 399 O HIS A 26 -5.799 5.034 8.450 1.00 10.00 O ATOM 400 CB HIS A 26 -3.944 3.287 9.454 1.00 10.00 C ATOM 401 CG HIS A 26 -2.969 2.252 9.948 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.209 1.308 10.918 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.650 2.162 9.592 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.054 0.661 11.137 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.065 1.152 10.365 1.00 10.00 N ATOM 0 H HIS A 26 -4.856 0.865 7.687 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.763 2.152 9.196 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.396 4.037 8.884 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.378 3.795 10.315 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -4.099 1.132 11.384 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.150 2.763 8.847 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -1.933 -0.149 11.841 1.00 10.00 H new ATOM 413 N TYR A 27 -6.731 3.606 6.987 1.00 10.00 N ATOM 414 CA TYR A 27 -7.519 4.613 6.283 1.00 10.00 C ATOM 415 C TYR A 27 -6.640 5.771 5.790 1.00 10.00 C ATOM 416 O TYR A 27 -7.090 6.919 5.730 1.00 10.00 O ATOM 417 CB TYR A 27 -8.694 5.101 7.144 1.00 10.00 C ATOM 418 CG TYR A 27 -9.620 4.000 7.622 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.325 3.282 8.797 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.780 3.689 6.889 1.00 10.00 C ATOM 421 CE1 TYR A 27 -10.171 2.242 9.220 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.612 2.637 7.303 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.320 1.927 8.475 1.00 10.00 C ATOM 424 OH TYR A 27 -12.176 0.953 8.901 1.00 10.00 O ATOM 0 H TYR A 27 -6.870 2.659 6.635 1.00 10.00 H new ATOM 0 HA TYR A 27 -7.946 4.144 5.397 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.298 5.628 8.012 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.274 5.823 6.570 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -8.447 3.531 9.374 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.030 4.260 6.007 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -9.938 1.686 10.116 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.480 2.374 6.716 1.00 10.00 H new ATOM 0 HH TYR A 27 -12.157 0.906 9.880 1.00 10.00 H new ATOM 434 N LYS A 28 -5.392 5.477 5.420 1.00 10.00 N ATOM 435 CA LYS A 28 -4.580 6.316 4.551 1.00 10.00 C ATOM 436 C LYS A 28 -4.119 5.447 3.381 1.00 10.00 C ATOM 437 O LYS A 28 -4.235 4.224 3.462 1.00 10.00 O ATOM 438 CB LYS A 28 -3.407 6.946 5.314 1.00 10.00 C ATOM 439 CG LYS A 28 -3.827 7.738 6.551 1.00 10.00 C ATOM 440 CD LYS A 28 -4.552 9.043 6.215 1.00 10.00 C ATOM 441 CE LYS A 28 -5.436 9.532 7.370 1.00 10.00 C ATOM 442 NZ LYS A 28 -6.859 9.233 7.110 1.00 10.00 N ATOM 0 H LYS A 28 -4.912 4.630 5.725 1.00 10.00 H new ATOM 0 HA LYS A 28 -5.162 7.157 4.174 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.718 6.158 5.616 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.861 7.606 4.640 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.477 7.118 7.168 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.943 7.964 7.147 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.818 9.811 5.972 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.167 8.896 5.327 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.124 9.054 8.299 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.305 10.606 7.504 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -7.353 9.084 8.013 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -7.294 10.030 6.604 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -6.933 8.373 6.530 1.00 10.00 H new ATOM 456 N VAL A 29 -3.648 6.065 2.293 1.00 10.00 N ATOM 457 CA VAL A 29 -3.349 5.377 1.032 1.00 10.00 C ATOM 458 C VAL A 29 -1.879 5.530 0.655 1.00 10.00 C ATOM 459 O VAL A 29 -1.289 6.602 0.812 1.00 10.00 O ATOM 460 CB VAL A 29 -4.271 5.828 -0.112 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.883 5.206 -1.457 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.702 5.373 0.151 1.00 10.00 C ATOM 0 H VAL A 29 -3.462 7.067 2.262 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.546 4.317 1.194 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.178 6.913 -0.154 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.566 5.557 -2.231 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.864 5.498 -1.712 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.943 4.120 -1.386 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.344 5.699 -0.667 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.731 4.286 0.223 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.056 5.808 1.086 1.00 10.00 H new ATOM 472 N TYR A 30 -1.312 4.421 0.170 1.00 10.00 N ATOM 473 CA TYR A 30 0.109 4.147 0.092 1.00 10.00 C ATOM 474 C TYR A 30 0.390 3.616 -1.311 1.00 10.00 C ATOM 475 O TYR A 30 -0.222 2.613 -1.669 1.00 10.00 O ATOM 476 CB TYR A 30 0.368 3.066 1.156 1.00 10.00 C ATOM 477 CG TYR A 30 0.299 3.589 2.574 1.00 10.00 C ATOM 478 CD1 TYR A 30 -0.964 3.819 3.140 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.452 3.844 3.335 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.075 4.383 4.414 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.324 4.304 4.660 1.00 10.00 C ATOM 482 CZ TYR A 30 0.064 4.582 5.198 1.00 10.00 C ATOM 483 OH TYR A 30 -0.061 4.947 6.505 1.00 10.00 O ATOM 0 H TYR A 30 -1.873 3.652 -0.197 1.00 10.00 H new ATOM 0 HA TYR A 30 0.743 5.016 0.268 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.363 2.266 1.036 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.351 2.628 0.986 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.855 3.559 2.588 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.431 3.688 2.906 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.045 4.666 4.794 1.00 10.00 H new ATOM 0 HE2 TYR A 30 2.207 4.443 5.266 1.00 10.00 H new ATOM 0 HH TYR A 30 0.829 5.042 6.905 1.00 10.00 H new ATOM 493 N ASP A 31 1.270 4.253 -2.100 1.00 10.00 N ATOM 494 CA ASP A 31 1.727 3.699 -3.380 1.00 10.00 C ATOM 495 C ASP A 31 3.070 3.039 -3.135 1.00 10.00 C ATOM 496 O ASP A 31 3.907 3.642 -2.465 1.00 10.00 O ATOM 497 CB ASP A 31 1.945 4.772 -4.454 1.00 10.00 C ATOM 498 CG ASP A 31 1.886 4.208 -5.873 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.311 3.046 -6.061 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.349 4.920 -6.755 1.00 10.00 O ATOM 0 H ASP A 31 1.680 5.158 -1.870 1.00 10.00 H new ATOM 0 HA ASP A 31 0.960 3.012 -3.737 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.188 5.549 -4.345 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.914 5.246 -4.296 1.00 10.00 H new ATOM 505 N LEU A 32 3.286 1.836 -3.664 1.00 10.00 N ATOM 506 CA LEU A 32 4.540 1.123 -3.468 1.00 10.00 C ATOM 507 C LEU A 32 5.365 1.096 -4.753 1.00 10.00 C ATOM 508 O LEU A 32 6.487 1.598 -4.767 1.00 10.00 O ATOM 509 CB LEU A 32 4.269 -0.284 -2.912 1.00 10.00 C ATOM 510 CG LEU A 32 3.459 -0.275 -1.607 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.495 -1.640 -0.918 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.895 0.722 -0.539 1.00 10.00 C ATOM 0 H LEU A 32 2.604 1.336 -4.233 1.00 10.00 H new ATOM 0 HA LEU A 32 5.138 1.656 -2.729 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.732 -0.866 -3.661 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.220 -0.788 -2.738 1.00 10.00 H new ATOM 0 HG LEU A 32 2.470 0.014 -1.963 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.912 -1.599 0.002 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.072 -2.394 -1.582 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.527 -1.902 -0.682 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.246 0.630 0.332 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.925 0.515 -0.247 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.827 1.734 -0.937 1.00 10.00 H new ATOM 524 N THR A 33 4.815 0.491 -5.810 1.00 10.00 N ATOM 525 CA THR A 33 5.337 0.352 -7.173 1.00 10.00 C ATOM 526 C THR A 33 6.834 0.034 -7.333 1.00 10.00 C ATOM 527 O THR A 33 7.178 -1.028 -7.840 1.00 10.00 O ATOM 528 CB THR A 33 4.880 1.543 -8.016 1.00 10.00 C ATOM 529 OG1 THR A 33 3.483 1.616 -7.870 1.00 10.00 O ATOM 530 CG2 THR A 33 5.186 1.356 -9.504 1.00 10.00 C ATOM 0 H THR A 33 3.903 0.042 -5.724 1.00 10.00 H new ATOM 0 HA THR A 33 4.897 -0.570 -7.552 1.00 10.00 H new ATOM 0 HB THR A 33 5.402 2.439 -7.681 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.262 2.237 -7.145 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.842 2.229 -10.059 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.261 1.239 -9.642 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.674 0.467 -9.872 1.00 10.00 H new ATOM 538 N LYS A 34 7.742 0.926 -6.939 1.00 10.00 N ATOM 539 CA LYS A 34 9.161 0.603 -6.871 1.00 10.00 C ATOM 540 C LYS A 34 9.410 -0.381 -5.723 1.00 10.00 C ATOM 541 O LYS A 34 10.165 -1.343 -5.860 1.00 10.00 O ATOM 542 CB LYS A 34 9.978 1.881 -6.643 1.00 10.00 C ATOM 543 CG LYS A 34 9.856 2.860 -7.815 1.00 10.00 C ATOM 544 CD LYS A 34 10.752 4.076 -7.547 1.00 10.00 C ATOM 545 CE LYS A 34 10.669 5.080 -8.705 1.00 10.00 C ATOM 546 NZ LYS A 34 11.530 6.260 -8.474 1.00 10.00 N ATOM 0 H LYS A 34 7.516 1.881 -6.662 1.00 10.00 H new ATOM 0 HA LYS A 34 9.469 0.147 -7.812 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.641 2.368 -5.728 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.026 1.620 -6.497 1.00 10.00 H new ATOM 0 HG2 LYS A 34 10.151 2.373 -8.744 1.00 10.00 H new ATOM 0 HG3 LYS A 34 8.820 3.175 -7.935 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.449 4.559 -6.618 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.784 3.751 -7.415 1.00 10.00 H new ATOM 0 HE2 LYS A 34 10.966 4.590 -9.632 1.00 10.00 H new ATOM 0 HE3 LYS A 34 9.636 5.404 -8.832 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 11.446 6.914 -9.278 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 11.231 6.743 -7.603 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 12.519 5.954 -8.378 1.00 10.00 H new ATOM 560 N PHE A 35 8.760 -0.135 -4.581 1.00 10.00 N ATOM 561 CA PHE A 35 9.050 -0.838 -3.339 1.00 10.00 C ATOM 562 C PHE A 35 8.727 -2.318 -3.482 1.00 10.00 C ATOM 563 O PHE A 35 9.322 -3.158 -2.825 1.00 10.00 O ATOM 564 CB PHE A 35 8.252 -0.243 -2.175 1.00 10.00 C ATOM 565 CG PHE A 35 8.718 -0.741 -0.828 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.034 -0.496 -0.394 1.00 10.00 C ATOM 567 CD2 PHE A 35 7.889 -1.603 -0.090 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.532 -1.151 0.744 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.399 -2.276 1.025 1.00 10.00 C ATOM 570 CZ PHE A 35 9.735 -2.087 1.419 1.00 10.00 C ATOM 0 H PHE A 35 8.018 0.559 -4.498 1.00 10.00 H new ATOM 0 HA PHE A 35 10.113 -0.722 -3.126 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.334 0.844 -2.203 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.197 -0.487 -2.302 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.661 0.196 -0.936 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.859 -1.746 -0.383 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.529 -0.934 1.099 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.763 -2.944 1.586 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.146 -2.660 2.237 1.00 10.00 H new ATOM 580 N LEU A 36 7.790 -2.622 -4.376 1.00 10.00 N ATOM 581 CA LEU A 36 7.465 -3.950 -4.849 1.00 10.00 C ATOM 582 C LEU A 36 8.717 -4.812 -5.049 1.00 10.00 C ATOM 583 O LEU A 36 8.720 -5.992 -4.705 1.00 10.00 O ATOM 584 CB LEU A 36 6.734 -3.774 -6.181 1.00 10.00 C ATOM 585 CG LEU A 36 5.407 -3.011 -6.120 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.715 -3.169 -7.479 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.479 -3.483 -5.000 1.00 10.00 C ATOM 0 H LEU A 36 7.210 -1.904 -4.809 1.00 10.00 H new ATOM 0 HA LEU A 36 6.849 -4.465 -4.112 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.398 -3.255 -6.872 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.544 -4.761 -6.602 1.00 10.00 H new ATOM 0 HG LEU A 36 5.627 -1.967 -5.898 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.765 -2.635 -7.468 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.352 -2.758 -8.262 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.535 -4.226 -7.675 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.560 -2.898 -5.018 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.241 -4.537 -5.144 1.00 10.00 H new ATOM 0 HD23 LEU A 36 4.974 -3.351 -4.038 1.00 10.00 H new ATOM 599 N GLU A 37 9.763 -4.213 -5.622 1.00 10.00 N ATOM 600 CA GLU A 37 11.025 -4.870 -5.916 1.00 10.00 C ATOM 601 C GLU A 37 11.812 -5.094 -4.614 1.00 10.00 C ATOM 602 O GLU A 37 12.190 -6.215 -4.284 1.00 10.00 O ATOM 603 CB GLU A 37 11.761 -3.985 -6.939 1.00 10.00 C ATOM 604 CG GLU A 37 12.750 -4.753 -7.820 1.00 10.00 C ATOM 605 CD GLU A 37 14.037 -5.146 -7.104 1.00 10.00 C ATOM 606 OE1 GLU A 37 14.445 -4.378 -6.207 1.00 10.00 O ATOM 607 OE2 GLU A 37 14.602 -6.188 -7.496 1.00 10.00 O ATOM 0 H GLU A 37 9.749 -3.231 -5.899 1.00 10.00 H new ATOM 0 HA GLU A 37 10.889 -5.861 -6.349 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.026 -3.494 -7.577 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.297 -3.199 -6.407 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.264 -5.654 -8.195 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.000 -4.142 -8.687 1.00 10.00 H new ATOM 614 N GLU A 38 12.008 -4.010 -3.857 1.00 10.00 N ATOM 615 CA GLU A 38 12.784 -3.969 -2.622 1.00 10.00 C ATOM 616 C GLU A 38 12.220 -4.923 -1.557 1.00 10.00 C ATOM 617 O GLU A 38 12.957 -5.561 -0.806 1.00 10.00 O ATOM 618 CB GLU A 38 12.760 -2.516 -2.120 1.00 10.00 C ATOM 619 CG GLU A 38 13.800 -2.212 -1.034 1.00 10.00 C ATOM 620 CD GLU A 38 13.703 -0.769 -0.548 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.262 0.085 -1.348 1.00 10.00 O ATOM 622 OE2 GLU A 38 14.039 -0.549 0.636 1.00 10.00 O ATOM 0 H GLU A 38 11.613 -3.102 -4.101 1.00 10.00 H new ATOM 0 HA GLU A 38 13.805 -4.300 -2.815 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.927 -1.848 -2.965 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.767 -2.294 -1.729 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.656 -2.890 -0.193 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.800 -2.398 -1.426 1.00 10.00 H new ATOM 629 N HIS A 39 10.892 -4.953 -1.448 1.00 10.00 N ATOM 630 CA HIS A 39 10.147 -5.546 -0.356 1.00 10.00 C ATOM 631 C HIS A 39 10.491 -7.029 -0.154 1.00 10.00 C ATOM 632 O HIS A 39 10.252 -7.822 -1.061 1.00 10.00 O ATOM 633 CB HIS A 39 8.650 -5.394 -0.658 1.00 10.00 C ATOM 634 CG HIS A 39 7.784 -5.959 0.436 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.706 -6.796 0.266 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.833 -5.601 1.755 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.091 -6.883 1.462 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.737 -6.167 2.405 1.00 10.00 N ATOM 0 H HIS A 39 10.284 -4.543 -2.157 1.00 10.00 H new ATOM 0 HA HIS A 39 10.414 -5.031 0.567 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.415 -4.338 -0.795 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.419 -5.897 -1.597 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.426 -7.261 -0.598 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.591 -4.985 2.215 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.193 -7.455 1.643 1.00 10.00 H new ATOM 646 N PRO A 40 10.945 -7.449 1.042 1.00 10.00 N ATOM 647 CA PRO A 40 11.140 -8.856 1.381 1.00 10.00 C ATOM 648 C PRO A 40 9.927 -9.746 1.084 1.00 10.00 C ATOM 649 O PRO A 40 10.089 -10.874 0.628 1.00 10.00 O ATOM 650 CB PRO A 40 11.502 -8.869 2.869 1.00 10.00 C ATOM 651 CG PRO A 40 12.221 -7.532 3.038 1.00 10.00 C ATOM 652 CD PRO A 40 11.412 -6.606 2.132 1.00 10.00 C ATOM 0 HA PRO A 40 11.926 -9.284 0.758 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.618 -8.939 3.503 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.144 -9.712 3.124 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.213 -7.195 4.074 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.265 -7.591 2.730 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.576 -6.160 2.671 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.025 -5.785 1.760 1.00 10.00 H new ATOM 660 N GLY A 41 8.707 -9.252 1.331 1.00 10.00 N ATOM 661 CA GLY A 41 7.484 -9.974 0.987 1.00 10.00 C ATOM 662 C GLY A 41 7.355 -10.240 -0.522 1.00 10.00 C ATOM 663 O GLY A 41 6.613 -11.133 -0.923 1.00 10.00 O ATOM 0 H GLY A 41 8.545 -8.347 1.772 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.465 -10.924 1.522 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.621 -9.400 1.325 1.00 10.00 H new ATOM 667 N GLY A 42 8.032 -9.449 -1.361 1.00 10.00 N ATOM 668 CA GLY A 42 7.899 -9.484 -2.810 1.00 10.00 C ATOM 669 C GLY A 42 6.753 -8.591 -3.274 1.00 10.00 C ATOM 670 O GLY A 42 6.019 -8.032 -2.453 1.00 10.00 O ATOM 0 H GLY A 42 8.702 -8.752 -1.037 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.830 -9.157 -3.272 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.723 -10.508 -3.138 1.00 10.00 H new ATOM 674 N GLU A 43 6.620 -8.470 -4.601 1.00 10.00 N ATOM 675 CA GLU A 43 5.538 -7.755 -5.261 1.00 10.00 C ATOM 676 C GLU A 43 4.244 -8.548 -5.078 1.00 10.00 C ATOM 677 O GLU A 43 3.280 -8.014 -4.542 1.00 10.00 O ATOM 678 CB GLU A 43 5.905 -7.487 -6.734 1.00 10.00 C ATOM 679 CG GLU A 43 4.892 -6.637 -7.516 1.00 10.00 C ATOM 680 CD GLU A 43 3.981 -7.380 -8.488 1.00 10.00 C ATOM 681 OE1 GLU A 43 3.560 -8.499 -8.136 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.665 -6.783 -9.547 1.00 10.00 O ATOM 0 H GLU A 43 7.284 -8.881 -5.257 1.00 10.00 H new ATOM 0 HA GLU A 43 5.380 -6.774 -4.813 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.874 -6.989 -6.766 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.022 -8.444 -7.243 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.265 -6.109 -6.798 1.00 10.00 H new ATOM 0 HG3 GLU A 43 5.442 -5.881 -8.076 1.00 10.00 H new ATOM 689 N GLU A 44 4.245 -9.828 -5.460 1.00 10.00 N ATOM 690 CA GLU A 44 3.057 -10.669 -5.530 1.00 10.00 C ATOM 691 C GLU A 44 2.128 -10.494 -4.323 1.00 10.00 C ATOM 692 O GLU A 44 0.972 -10.110 -4.485 1.00 10.00 O ATOM 693 CB GLU A 44 3.469 -12.139 -5.706 1.00 10.00 C ATOM 694 CG GLU A 44 4.305 -12.369 -6.974 1.00 10.00 C ATOM 695 CD GLU A 44 4.581 -13.852 -7.179 1.00 10.00 C ATOM 696 OE1 GLU A 44 5.362 -14.393 -6.368 1.00 10.00 O ATOM 697 OE2 GLU A 44 4.000 -14.417 -8.131 1.00 10.00 O ATOM 0 H GLU A 44 5.097 -10.317 -5.735 1.00 10.00 H new ATOM 0 HA GLU A 44 2.482 -10.349 -6.399 1.00 10.00 H new ATOM 0 HB2 GLU A 44 4.041 -12.459 -4.835 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.575 -12.761 -5.747 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.777 -11.970 -7.840 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.247 -11.827 -6.897 1.00 10.00 H new ATOM 704 N VAL A 45 2.626 -10.745 -3.109 1.00 10.00 N ATOM 705 CA VAL A 45 1.813 -10.676 -1.896 1.00 10.00 C ATOM 706 C VAL A 45 1.296 -9.253 -1.644 1.00 10.00 C ATOM 707 O VAL A 45 0.161 -9.067 -1.209 1.00 10.00 O ATOM 708 CB VAL A 45 2.609 -11.245 -0.705 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.714 -10.296 -0.223 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.687 -11.600 0.466 1.00 10.00 C ATOM 0 H VAL A 45 3.599 -11.000 -2.942 1.00 10.00 H new ATOM 0 HA VAL A 45 0.924 -11.293 -2.025 1.00 10.00 H new ATOM 0 HB VAL A 45 3.087 -12.153 -1.072 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.241 -10.748 0.617 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.416 -10.113 -1.036 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.270 -9.352 0.093 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.281 -11.998 1.289 1.00 10.00 H new ATOM 0 HG22 VAL A 45 1.160 -10.706 0.798 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.963 -12.349 0.145 1.00 10.00 H new ATOM 720 N LEU A 46 2.107 -8.225 -1.929 1.00 10.00 N ATOM 721 CA LEU A 46 1.621 -6.853 -1.862 1.00 10.00 C ATOM 722 C LEU A 46 0.486 -6.693 -2.863 1.00 10.00 C ATOM 723 O LEU A 46 -0.541 -6.098 -2.560 1.00 10.00 O ATOM 724 CB LEU A 46 2.724 -5.837 -2.199 1.00 10.00 C ATOM 725 CG LEU A 46 3.877 -5.803 -1.194 1.00 10.00 C ATOM 726 CD1 LEU A 46 4.999 -4.930 -1.758 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.404 -5.223 0.136 1.00 10.00 C ATOM 0 H LEU A 46 3.085 -8.321 -2.203 1.00 10.00 H new ATOM 0 HA LEU A 46 1.284 -6.659 -0.844 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.125 -6.067 -3.186 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.280 -4.843 -2.259 1.00 10.00 H new ATOM 0 HG LEU A 46 4.238 -6.818 -1.026 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.827 -4.899 -1.049 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.346 -5.349 -2.703 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.625 -3.920 -1.924 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.235 -5.205 0.841 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.038 -4.208 -0.019 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.601 -5.841 0.537 1.00 10.00 H new ATOM 739 N ARG A 47 0.691 -7.201 -4.072 1.00 10.00 N ATOM 740 CA ARG A 47 -0.135 -6.890 -5.214 1.00 10.00 C ATOM 741 C ARG A 47 -1.501 -7.562 -5.129 1.00 10.00 C ATOM 742 O ARG A 47 -2.515 -6.961 -5.481 1.00 10.00 O ATOM 743 CB ARG A 47 0.611 -7.271 -6.489 1.00 10.00 C ATOM 744 CG ARG A 47 -0.093 -6.544 -7.626 1.00 10.00 C ATOM 745 CD ARG A 47 0.827 -6.370 -8.816 1.00 10.00 C ATOM 746 NE ARG A 47 0.148 -5.579 -9.838 1.00 10.00 N ATOM 747 CZ ARG A 47 0.726 -5.186 -10.976 1.00 10.00 C ATOM 748 NH1 ARG A 47 2.003 -5.500 -11.233 1.00 10.00 N ATOM 749 NH2 ARG A 47 0.011 -4.473 -11.848 1.00 10.00 N ATOM 0 H ARG A 47 1.450 -7.850 -4.282 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.331 -5.818 -5.227 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.659 -6.978 -6.429 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.590 -8.350 -6.645 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.979 -7.104 -7.926 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -0.435 -5.568 -7.281 1.00 10.00 H new ATOM 0 HD2 ARG A 47 1.748 -5.875 -8.509 1.00 10.00 H new ATOM 0 HD3 ARG A 47 1.107 -7.343 -9.219 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.822 -5.311 -9.674 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.541 -6.043 -10.557 1.00 10.00 H new ATOM 0 HH12 ARG A 47 2.437 -5.196 -12.104 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -0.959 -4.237 -11.640 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.435 -4.164 -12.723 1.00 10.00 H new ATOM 763 N GLU A 48 -1.496 -8.800 -4.636 1.00 10.00 N ATOM 764 CA GLU A 48 -2.651 -9.553 -4.181 1.00 10.00 C ATOM 765 C GLU A 48 -3.538 -8.666 -3.298 1.00 10.00 C ATOM 766 O GLU A 48 -4.756 -8.626 -3.459 1.00 10.00 O ATOM 767 CB GLU A 48 -2.095 -10.764 -3.414 1.00 10.00 C ATOM 768 CG GLU A 48 -3.151 -11.669 -2.778 1.00 10.00 C ATOM 769 CD GLU A 48 -2.532 -12.951 -2.231 1.00 10.00 C ATOM 770 OE1 GLU A 48 -1.427 -12.850 -1.655 1.00 10.00 O ATOM 771 OE2 GLU A 48 -3.176 -14.008 -2.398 1.00 10.00 O ATOM 0 H GLU A 48 -0.630 -9.331 -4.540 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.279 -9.888 -5.006 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.491 -11.361 -4.097 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.428 -10.404 -2.631 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.653 -11.134 -1.972 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.912 -11.918 -3.518 1.00 10.00 H new ATOM 778 N GLN A 49 -2.905 -7.956 -2.363 1.00 10.00 N ATOM 779 CA GLN A 49 -3.568 -7.131 -1.367 1.00 10.00 C ATOM 780 C GLN A 49 -3.887 -5.726 -1.916 1.00 10.00 C ATOM 781 O GLN A 49 -4.827 -5.074 -1.466 1.00 10.00 O ATOM 782 CB GLN A 49 -2.636 -7.100 -0.146 1.00 10.00 C ATOM 783 CG GLN A 49 -3.353 -6.768 1.160 1.00 10.00 C ATOM 784 CD GLN A 49 -4.254 -7.890 1.662 1.00 10.00 C ATOM 785 OE1 GLN A 49 -3.785 -8.990 1.938 1.00 10.00 O ATOM 786 NE2 GLN A 49 -5.541 -7.619 1.836 1.00 10.00 N ATOM 0 H GLN A 49 -1.888 -7.942 -2.280 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.538 -7.543 -1.088 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.148 -8.070 -0.047 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -1.851 -6.364 -0.317 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.611 -6.539 1.925 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.952 -5.868 1.018 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.905 -6.696 1.598 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -6.167 -8.334 2.208 1.00 10.00 H new ATOM 795 N ALA A 50 -3.075 -5.242 -2.861 1.00 10.00 N ATOM 796 CA ALA A 50 -3.151 -3.909 -3.444 1.00 10.00 C ATOM 797 C ALA A 50 -4.457 -3.669 -4.202 1.00 10.00 C ATOM 798 O ALA A 50 -5.138 -4.592 -4.645 1.00 10.00 O ATOM 799 CB ALA A 50 -1.951 -3.682 -4.360 1.00 10.00 C ATOM 0 H ALA A 50 -2.315 -5.797 -3.254 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.132 -3.191 -2.624 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -2.009 -2.684 -4.795 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.031 -3.773 -3.783 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.955 -4.426 -5.156 1.00 10.00 H new ATOM 805 N GLY A 51 -4.799 -2.391 -4.365 1.00 10.00 N ATOM 806 CA GLY A 51 -6.131 -1.935 -4.696 1.00 10.00 C ATOM 807 C GLY A 51 -7.154 -2.578 -3.784 1.00 10.00 C ATOM 808 O GLY A 51 -8.185 -3.087 -4.213 1.00 10.00 O ATOM 0 H GLY A 51 -4.129 -1.628 -4.265 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.184 -0.850 -4.604 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.357 -2.178 -5.734 1.00 10.00 H new ATOM 812 N GLY A 52 -6.867 -2.454 -2.491 1.00 10.00 N ATOM 813 CA GLY A 52 -7.776 -2.765 -1.434 1.00 10.00 C ATOM 814 C GLY A 52 -7.075 -2.407 -0.137 1.00 10.00 C ATOM 815 O GLY A 52 -6.036 -1.735 -0.114 1.00 10.00 O ATOM 0 H GLY A 52 -5.962 -2.122 -2.158 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.702 -2.201 -1.542 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -8.042 -3.822 -1.451 1.00 10.00 H new ATOM 819 N ASP A 53 -7.678 -2.883 0.937 1.00 10.00 N ATOM 820 CA ASP A 53 -7.103 -2.800 2.266 1.00 10.00 C ATOM 821 C ASP A 53 -5.915 -3.741 2.362 1.00 10.00 C ATOM 822 O ASP A 53 -5.996 -4.883 1.915 1.00 10.00 O ATOM 823 CB ASP A 53 -8.105 -3.145 3.373 1.00 10.00 C ATOM 824 CG ASP A 53 -7.355 -3.139 4.700 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.832 -2.057 5.040 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.160 -4.218 5.294 1.00 10.00 O ATOM 0 H ASP A 53 -8.589 -3.342 0.911 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.796 -1.765 2.416 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.919 -2.420 3.391 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.553 -4.122 3.192 1.00 10.00 H new ATOM 831 N ALA A 54 -4.841 -3.261 2.985 1.00 10.00 N ATOM 832 CA ALA A 54 -3.777 -4.100 3.491 1.00 10.00 C ATOM 833 C ALA A 54 -3.476 -3.784 4.958 1.00 10.00 C ATOM 834 O ALA A 54 -2.453 -4.248 5.457 1.00 10.00 O ATOM 835 CB ALA A 54 -2.540 -3.911 2.614 1.00 10.00 C ATOM 0 H ALA A 54 -4.691 -2.266 3.151 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.087 -5.144 3.451 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.731 -4.539 2.986 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.775 -4.193 1.588 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.231 -2.866 2.642 1.00 10.00 H new ATOM 841 N THR A 55 -4.318 -3.018 5.667 1.00 10.00 N ATOM 842 CA THR A 55 -4.043 -2.655 7.049 1.00 10.00 C ATOM 843 C THR A 55 -3.898 -3.915 7.900 1.00 10.00 C ATOM 844 O THR A 55 -2.904 -4.066 8.607 1.00 10.00 O ATOM 845 CB THR A 55 -5.138 -1.752 7.650 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.485 -0.682 6.800 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.628 -1.136 8.957 1.00 10.00 C ATOM 0 H THR A 55 -5.192 -2.642 5.299 1.00 10.00 H new ATOM 0 HA THR A 55 -3.111 -2.089 7.052 1.00 10.00 H new ATOM 0 HB THR A 55 -6.013 -2.383 7.804 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.189 -0.970 6.182 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.401 -0.497 9.384 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.383 -1.930 9.662 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.736 -0.542 8.756 1.00 10.00 H new ATOM 855 N GLU A 56 -4.889 -4.811 7.835 1.00 10.00 N ATOM 856 CA GLU A 56 -4.961 -5.967 8.695 1.00 10.00 C ATOM 857 C GLU A 56 -3.722 -6.808 8.447 1.00 10.00 C ATOM 858 O GLU A 56 -3.000 -7.102 9.383 1.00 10.00 O ATOM 859 CB GLU A 56 -6.261 -6.736 8.435 1.00 10.00 C ATOM 860 CG GLU A 56 -7.489 -5.860 8.738 1.00 10.00 C ATOM 861 CD GLU A 56 -8.799 -6.640 8.686 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.774 -7.779 8.172 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.804 -6.079 9.175 1.00 10.00 O ATOM 0 H GLU A 56 -5.663 -4.742 7.174 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.981 -5.679 9.746 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.292 -7.065 7.396 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.288 -7.633 9.054 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -7.376 -5.414 9.726 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.531 -5.040 8.021 1.00 10.00 H new ATOM 870 N ASN A 57 -3.443 -7.122 7.181 1.00 10.00 N ATOM 871 CA ASN A 57 -2.283 -7.915 6.789 1.00 10.00 C ATOM 872 C ASN A 57 -0.971 -7.241 7.231 1.00 10.00 C ATOM 873 O ASN A 57 -0.078 -7.876 7.793 1.00 10.00 O ATOM 874 CB ASN A 57 -2.342 -8.164 5.275 1.00 10.00 C ATOM 875 CG ASN A 57 -1.472 -9.341 4.834 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.512 -9.711 5.500 1.00 10.00 O ATOM 877 ND2 ASN A 57 -1.780 -9.928 3.682 1.00 10.00 N ATOM 0 H ASN A 57 -4.022 -6.829 6.394 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.305 -8.880 7.296 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.375 -8.352 4.982 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.021 -7.264 4.751 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.213 -10.702 3.337 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.583 -9.604 3.143 1.00 10.00 H new ATOM 884 N PHE A 58 -0.854 -5.926 7.019 1.00 10.00 N ATOM 885 CA PHE A 58 0.319 -5.170 7.443 1.00 10.00 C ATOM 886 C PHE A 58 0.590 -5.369 8.935 1.00 10.00 C ATOM 887 O PHE A 58 1.733 -5.622 9.318 1.00 10.00 O ATOM 888 CB PHE A 58 0.164 -3.680 7.114 1.00 10.00 C ATOM 889 CG PHE A 58 1.440 -2.882 7.310 1.00 10.00 C ATOM 890 CD1 PHE A 58 1.841 -2.477 8.597 1.00 10.00 C ATOM 891 CD2 PHE A 58 2.274 -2.618 6.209 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.077 -1.833 8.772 1.00 10.00 C ATOM 893 CE2 PHE A 58 3.462 -1.886 6.380 1.00 10.00 C ATOM 894 CZ PHE A 58 3.875 -1.507 7.665 1.00 10.00 C ATOM 0 H PHE A 58 -1.566 -5.364 6.552 1.00 10.00 H new ATOM 0 HA PHE A 58 1.177 -5.551 6.889 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -0.165 -3.576 6.080 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.620 -3.257 7.742 1.00 10.00 H new ATOM 0 HD1 PHE A 58 1.201 -2.661 9.447 1.00 10.00 H new ATOM 0 HD2 PHE A 58 2.001 -2.979 5.228 1.00 10.00 H new ATOM 0 HE1 PHE A 58 3.416 -1.587 9.767 1.00 10.00 H new ATOM 0 HE2 PHE A 58 4.057 -1.615 5.520 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.801 -0.968 7.802 1.00 10.00 H new ATOM 904 N GLU A 59 -0.456 -5.236 9.758 1.00 10.00 N ATOM 905 CA GLU A 59 -0.412 -5.415 11.205 1.00 10.00 C ATOM 906 C GLU A 59 -0.230 -6.883 11.595 1.00 10.00 C ATOM 907 O GLU A 59 0.355 -7.182 12.633 1.00 10.00 O ATOM 908 CB GLU A 59 -1.722 -4.910 11.815 1.00 10.00 C ATOM 909 CG GLU A 59 -1.904 -3.392 11.701 1.00 10.00 C ATOM 910 CD GLU A 59 -1.041 -2.625 12.687 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.190 -2.572 12.465 1.00 10.00 O ATOM 912 OE2 GLU A 59 -1.615 -1.990 13.593 1.00 10.00 O ATOM 0 H GLU A 59 -1.386 -4.992 9.419 1.00 10.00 H new ATOM 0 HA GLU A 59 0.441 -4.851 11.582 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.558 -5.406 11.322 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.757 -5.194 12.867 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.659 -3.076 10.687 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.951 -3.142 11.869 1.00 10.00 H new ATOM 919 N ASP A 60 -0.752 -7.786 10.771 1.00 10.00 N ATOM 920 CA ASP A 60 -0.687 -9.223 10.960 1.00 10.00 C ATOM 921 C ASP A 60 0.786 -9.631 10.976 1.00 10.00 C ATOM 922 O ASP A 60 1.244 -10.333 11.876 1.00 10.00 O ATOM 923 CB ASP A 60 -1.488 -9.915 9.846 1.00 10.00 C ATOM 924 CG ASP A 60 -1.702 -11.383 10.178 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.653 -11.661 10.938 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.908 -12.200 9.665 1.00 10.00 O ATOM 0 H ASP A 60 -1.251 -7.522 9.921 1.00 10.00 H new ATOM 0 HA ASP A 60 -1.133 -9.529 11.907 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.451 -9.420 9.721 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -0.958 -9.824 8.898 1.00 10.00 H new ATOM 931 N HIS A 61 1.553 -9.090 10.021 1.00 10.00 N ATOM 932 CA HIS A 61 3.011 -9.150 10.063 1.00 10.00 C ATOM 933 C HIS A 61 3.575 -8.193 11.130 1.00 10.00 C ATOM 934 O HIS A 61 4.581 -8.491 11.771 1.00 10.00 O ATOM 935 CB HIS A 61 3.592 -8.875 8.670 1.00 10.00 C ATOM 936 CG HIS A 61 5.103 -8.856 8.643 1.00 10.00 C ATOM 937 ND1 HIS A 61 5.875 -7.874 8.075 1.00 10.00 N ATOM 938 CD2 HIS A 61 5.945 -9.665 9.364 1.00 10.00 C ATOM 939 CE1 HIS A 61 7.139 -8.059 8.476 1.00 10.00 C ATOM 940 NE2 HIS A 61 7.236 -9.140 9.262 1.00 10.00 N ATOM 0 H HIS A 61 1.180 -8.603 9.206 1.00 10.00 H new ATOM 0 HA HIS A 61 3.314 -10.156 10.355 1.00 10.00 H new ATOM 0 HB2 HIS A 61 3.233 -9.637 7.978 1.00 10.00 H new ATOM 0 HB3 HIS A 61 3.217 -7.916 8.311 1.00 10.00 H new ATOM 0 HD2 HIS A 61 5.660 -10.550 9.913 1.00 10.00 H new ATOM 0 HE1 HIS A 61 7.968 -7.423 8.203 1.00 10.00 H new ATOM 0 HE2 HIS A 61 8.082 -9.506 9.698 1.00 10.00 H new ATOM 948 N GLY A 62 2.970 -7.019 11.307 1.00 10.00 N ATOM 949 CA GLY A 62 3.331 -6.058 12.345 1.00 10.00 C ATOM 950 C GLY A 62 4.319 -5.032 11.803 1.00 10.00 C ATOM 951 O GLY A 62 4.073 -3.825 11.888 1.00 10.00 O ATOM 0 H GLY A 62 2.198 -6.704 10.719 1.00 10.00 H new ATOM 0 HA2 GLY A 62 2.436 -5.553 12.708 1.00 10.00 H new ATOM 0 HA3 GLY A 62 3.770 -6.580 13.195 1.00 10.00 H new ATOM 955 N HIS A 63 5.413 -5.541 11.225 1.00 10.00 N ATOM 956 CA HIS A 63 6.468 -4.781 10.562 1.00 10.00 C ATOM 957 C HIS A 63 7.309 -3.938 11.525 1.00 10.00 C ATOM 958 O HIS A 63 6.851 -3.537 12.594 1.00 10.00 O ATOM 959 CB HIS A 63 5.897 -3.902 9.447 1.00 10.00 C ATOM 960 CG HIS A 63 5.482 -4.659 8.222 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.215 -5.086 7.889 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.300 -4.877 7.153 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.280 -5.540 6.622 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.541 -5.458 6.136 1.00 10.00 N ATOM 0 H HIS A 63 5.591 -6.545 11.209 1.00 10.00 H new ATOM 0 HA HIS A 63 7.139 -5.522 10.127 1.00 10.00 H new ATOM 0 HB2 HIS A 63 5.036 -3.358 9.834 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.644 -3.159 9.166 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.388 -5.063 8.486 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.353 -4.641 7.102 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.436 -5.920 6.066 1.00 10.00 H new ATOM 972 N SER A 64 8.556 -3.658 11.136 1.00 10.00 N ATOM 973 CA SER A 64 9.449 -2.844 11.944 1.00 10.00 C ATOM 974 C SER A 64 9.068 -1.362 11.884 1.00 10.00 C ATOM 975 O SER A 64 8.367 -0.896 10.981 1.00 10.00 O ATOM 976 CB SER A 64 10.914 -3.049 11.536 1.00 10.00 C ATOM 977 OG SER A 64 11.753 -2.534 12.557 1.00 10.00 O ATOM 0 H SER A 64 8.965 -3.988 10.262 1.00 10.00 H new ATOM 0 HA SER A 64 9.339 -3.173 12.977 1.00 10.00 H new ATOM 0 HB2 SER A 64 11.117 -4.109 11.380 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.116 -2.544 10.592 1.00 10.00 H new ATOM 0 HG SER A 64 12.398 -1.908 12.166 1.00 10.00 H new ATOM 983 N THR A 65 9.611 -0.608 12.839 1.00 10.00 N ATOM 984 CA THR A 65 9.590 0.844 12.911 1.00 10.00 C ATOM 985 C THR A 65 9.969 1.466 11.570 1.00 10.00 C ATOM 986 O THR A 65 9.392 2.453 11.127 1.00 10.00 O ATOM 987 CB THR A 65 10.628 1.242 13.976 1.00 10.00 C ATOM 988 OG1 THR A 65 11.677 0.280 14.043 1.00 10.00 O ATOM 989 CG2 THR A 65 9.965 1.280 15.355 1.00 10.00 C ATOM 0 H THR A 65 10.106 -1.024 13.628 1.00 10.00 H new ATOM 0 HA THR A 65 8.591 1.199 13.163 1.00 10.00 H new ATOM 0 HB THR A 65 11.027 2.218 13.701 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.049 0.139 13.148 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.703 1.562 16.106 1.00 10.00 H new ATOM 0 HG22 THR A 65 9.156 2.010 15.350 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.564 0.295 15.593 1.00 10.00 H new ATOM 997 N ASP A 66 10.969 0.868 10.945 1.00 10.00 N ATOM 998 CA ASP A 66 11.649 1.306 9.749 1.00 10.00 C ATOM 999 C ASP A 66 10.666 1.260 8.582 1.00 10.00 C ATOM 1000 O ASP A 66 10.484 2.234 7.856 1.00 10.00 O ATOM 1001 CB ASP A 66 12.856 0.370 9.543 1.00 10.00 C ATOM 1002 CG ASP A 66 13.671 0.162 10.823 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.068 -0.367 11.794 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.855 0.551 10.821 1.00 10.00 O ATOM 0 H ASP A 66 11.354 -0.009 11.295 1.00 10.00 H new ATOM 0 HA ASP A 66 12.011 2.331 9.825 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.503 -0.596 9.181 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.503 0.783 8.769 1.00 10.00 H new ATOM 1009 N ALA A 67 9.983 0.121 8.446 1.00 10.00 N ATOM 1010 CA ALA A 67 8.938 -0.118 7.476 1.00 10.00 C ATOM 1011 C ALA A 67 7.782 0.843 7.737 1.00 10.00 C ATOM 1012 O ALA A 67 7.181 1.370 6.803 1.00 10.00 O ATOM 1013 CB ALA A 67 8.482 -1.573 7.581 1.00 10.00 C ATOM 0 H ALA A 67 10.159 -0.689 9.040 1.00 10.00 H new ATOM 0 HA ALA A 67 9.308 0.056 6.465 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.694 -1.761 6.852 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.325 -2.234 7.382 1.00 10.00 H new ATOM 0 HB3 ALA A 67 8.101 -1.763 8.584 1.00 10.00 H new ATOM 1019 N ARG A 68 7.483 1.081 9.016 1.00 10.00 N ATOM 1020 CA ARG A 68 6.553 2.115 9.445 1.00 10.00 C ATOM 1021 C ARG A 68 6.949 3.474 8.834 1.00 10.00 C ATOM 1022 O ARG A 68 6.201 4.025 8.025 1.00 10.00 O ATOM 1023 CB ARG A 68 6.486 2.130 10.985 1.00 10.00 C ATOM 1024 CG ARG A 68 5.054 2.000 11.517 1.00 10.00 C ATOM 1025 CD ARG A 68 4.564 0.542 11.501 1.00 10.00 C ATOM 1026 NE ARG A 68 3.102 0.505 11.324 1.00 10.00 N ATOM 1027 CZ ARG A 68 2.238 -0.429 11.758 1.00 10.00 C ATOM 1028 NH1 ARG A 68 2.616 -1.600 12.281 1.00 10.00 N ATOM 1029 NH2 ARG A 68 0.930 -0.213 11.646 1.00 10.00 N ATOM 0 H ARG A 68 7.888 0.552 9.788 1.00 10.00 H new ATOM 0 HA ARG A 68 5.548 1.902 9.082 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.091 1.313 11.379 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.924 3.057 11.354 1.00 10.00 H new ATOM 0 HG2 ARG A 68 5.009 2.387 12.535 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.386 2.614 10.913 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.051 -0.005 10.694 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.839 0.047 12.432 1.00 10.00 H new ATOM 0 HE ARG A 68 2.695 1.285 10.808 1.00 10.00 H new ATOM 0 HH11 ARG A 68 3.607 -1.824 12.368 1.00 10.00 H new ATOM 0 HH12 ARG A 68 1.913 -2.270 12.593 1.00 10.00 H new ATOM 0 HH21 ARG A 68 0.590 0.656 11.233 1.00 10.00 H new ATOM 0 HH22 ARG A 68 0.267 -0.916 11.973 1.00 10.00 H new ATOM 1043 N GLU A 69 8.124 4.011 9.183 1.00 10.00 N ATOM 1044 CA GLU A 69 8.679 5.237 8.613 1.00 10.00 C ATOM 1045 C GLU A 69 8.543 5.245 7.081 1.00 10.00 C ATOM 1046 O GLU A 69 7.983 6.174 6.491 1.00 10.00 O ATOM 1047 CB GLU A 69 10.139 5.393 9.084 1.00 10.00 C ATOM 1048 CG GLU A 69 10.531 6.859 9.323 1.00 10.00 C ATOM 1049 CD GLU A 69 9.712 7.502 10.434 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.366 6.806 11.417 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.288 8.668 10.271 1.00 10.00 O ATOM 0 H GLU A 69 8.729 3.591 9.889 1.00 10.00 H new ATOM 0 HA GLU A 69 8.115 6.100 8.967 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.282 4.828 10.005 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.805 4.960 8.338 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.590 6.913 9.577 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.395 7.424 8.401 1.00 10.00 H new ATOM 1058 N LEU A 70 9.000 4.169 6.438 1.00 10.00 N ATOM 1059 CA LEU A 70 8.884 3.999 4.998 1.00 10.00 C ATOM 1060 C LEU A 70 7.451 4.217 4.516 1.00 10.00 C ATOM 1061 O LEU A 70 7.207 4.960 3.567 1.00 10.00 O ATOM 1062 CB LEU A 70 9.384 2.604 4.577 1.00 10.00 C ATOM 1063 CG LEU A 70 10.798 2.566 3.975 1.00 10.00 C ATOM 1064 CD1 LEU A 70 11.021 3.697 2.968 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.875 2.594 5.061 1.00 10.00 C ATOM 0 H LEU A 70 9.462 3.391 6.908 1.00 10.00 H new ATOM 0 HA LEU A 70 9.510 4.757 4.527 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.360 1.950 5.448 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.686 2.191 3.849 1.00 10.00 H new ATOM 0 HG LEU A 70 10.883 1.621 3.439 1.00 10.00 H new ATOM 0 HD11 LEU A 70 12.033 3.633 2.567 1.00 10.00 H new ATOM 0 HD12 LEU A 70 10.302 3.607 2.154 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.888 4.658 3.465 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.861 2.566 4.597 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.776 3.507 5.648 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.756 1.729 5.713 1.00 10.00 H new ATOM 1077 N SER A 71 6.483 3.594 5.184 1.00 10.00 N ATOM 1078 CA SER A 71 5.094 3.722 4.794 1.00 10.00 C ATOM 1079 C SER A 71 4.674 5.190 4.858 1.00 10.00 C ATOM 1080 O SER A 71 3.952 5.650 3.976 1.00 10.00 O ATOM 1081 CB SER A 71 4.222 2.746 5.605 1.00 10.00 C ATOM 1082 OG SER A 71 3.846 3.270 6.863 1.00 10.00 O ATOM 0 H SER A 71 6.642 2.998 5.996 1.00 10.00 H new ATOM 0 HA SER A 71 4.948 3.426 3.755 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.326 2.504 5.034 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.767 1.814 5.752 1.00 10.00 H new ATOM 0 HG SER A 71 4.649 3.461 7.391 1.00 10.00 H new ATOM 1088 N LYS A 72 5.182 5.950 5.837 1.00 10.00 N ATOM 1089 CA LYS A 72 4.854 7.371 5.910 1.00 10.00 C ATOM 1090 C LYS A 72 5.233 8.037 4.597 1.00 10.00 C ATOM 1091 O LYS A 72 4.407 8.679 3.954 1.00 10.00 O ATOM 1092 CB LYS A 72 5.569 8.093 7.058 1.00 10.00 C ATOM 1093 CG LYS A 72 5.411 7.378 8.395 1.00 10.00 C ATOM 1094 CD LYS A 72 6.075 8.234 9.481 1.00 10.00 C ATOM 1095 CE LYS A 72 6.188 7.498 10.823 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.196 8.131 11.698 1.00 10.00 N ATOM 0 H LYS A 72 5.806 5.612 6.570 1.00 10.00 H new ATOM 0 HA LYS A 72 3.783 7.444 6.098 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.629 8.181 6.821 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.176 9.106 7.144 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.356 7.228 8.623 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.872 6.391 8.355 1.00 10.00 H new ATOM 0 HD2 LYS A 72 7.070 8.530 9.148 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.500 9.149 9.620 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.219 7.497 11.322 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.458 6.457 10.648 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.856 7.407 12.047 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.722 8.849 11.159 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.720 8.583 12.505 1.00 10.00 H new ATOM 1110 N THR A 73 6.486 7.848 4.185 1.00 10.00 N ATOM 1111 CA THR A 73 6.964 8.477 2.958 1.00 10.00 C ATOM 1112 C THR A 73 6.283 7.923 1.701 1.00 10.00 C ATOM 1113 O THR A 73 6.388 8.551 0.648 1.00 10.00 O ATOM 1114 CB THR A 73 8.498 8.511 2.850 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.858 9.460 1.866 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.158 7.183 2.487 1.00 10.00 C ATOM 0 H THR A 73 7.175 7.276 4.673 1.00 10.00 H new ATOM 0 HA THR A 73 6.658 9.521 3.025 1.00 10.00 H new ATOM 0 HB THR A 73 8.856 8.766 3.847 1.00 10.00 H new ATOM 0 HG1 THR A 73 8.172 9.482 1.166 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.239 7.316 2.437 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.919 6.438 3.246 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.788 6.846 1.519 1.00 10.00 H new ATOM 1124 N PHE A 74 5.609 6.771 1.788 1.00 10.00 N ATOM 1125 CA PHE A 74 4.800 6.238 0.696 1.00 10.00 C ATOM 1126 C PHE A 74 3.371 6.788 0.700 1.00 10.00 C ATOM 1127 O PHE A 74 2.642 6.531 -0.260 1.00 10.00 O ATOM 1128 CB PHE A 74 4.713 4.714 0.772 1.00 10.00 C ATOM 1129 CG PHE A 74 6.001 3.919 0.794 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.220 4.438 0.319 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.928 2.578 1.194 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.377 3.638 0.342 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.065 1.761 1.158 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.304 2.311 0.800 1.00 10.00 C ATOM 0 H PHE A 74 5.612 6.183 2.622 1.00 10.00 H new ATOM 0 HA PHE A 74 5.300 6.551 -0.221 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.150 4.458 1.669 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.127 4.372 -0.081 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.267 5.447 -0.062 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.987 2.171 1.533 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.321 4.043 0.008 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.988 0.712 1.405 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.202 1.715 0.876 1.00 10.00 H new ATOM 1144 N ILE A 75 2.932 7.476 1.763 1.00 10.00 N ATOM 1145 CA ILE A 75 1.599 8.090 1.745 1.00 10.00 C ATOM 1146 C ILE A 75 1.440 9.008 0.530 1.00 10.00 C ATOM 1147 O ILE A 75 2.299 9.842 0.253 1.00 10.00 O ATOM 1148 CB ILE A 75 1.246 8.825 3.055 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.886 7.773 4.110 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.049 9.779 2.900 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.949 8.316 5.540 1.00 10.00 C ATOM 0 H ILE A 75 3.463 7.619 2.622 1.00 10.00 H new ATOM 0 HA ILE A 75 0.883 7.272 1.661 1.00 10.00 H new ATOM 0 HB ILE A 75 2.110 9.423 3.343 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.118 7.398 3.913 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.566 6.926 4.018 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.153 10.268 3.853 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.280 10.533 2.148 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.829 9.213 2.589 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.684 7.525 6.242 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.959 8.666 5.752 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.249 9.144 5.646 1.00 10.00 H new ATOM 1163 N ILE A 76 0.316 8.856 -0.173 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.012 9.600 -1.388 1.00 10.00 C ATOM 1165 C ILE A 76 -1.407 10.231 -1.331 1.00 10.00 C ATOM 1166 O ILE A 76 -1.762 11.002 -2.225 1.00 10.00 O ATOM 1167 CB ILE A 76 0.054 8.648 -2.595 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.643 7.318 -2.248 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.507 8.425 -3.034 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.185 6.578 -3.464 1.00 10.00 C ATOM 0 H ILE A 76 -0.411 8.193 0.096 1.00 10.00 H new ATOM 0 HA ILE A 76 0.714 10.408 -1.483 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.471 9.101 -3.436 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.063 6.673 -1.726 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.463 7.517 -1.558 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.529 7.749 -3.889 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.953 9.379 -3.315 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.073 7.988 -2.211 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.662 5.652 -3.144 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.916 7.204 -3.975 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.366 6.348 -4.145 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.231 9.853 -0.351 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.678 9.979 -0.460 1.00 10.00 C ATOM 1184 C GLY A 77 -4.305 9.361 0.767 1.00 10.00 C ATOM 1185 O GLY A 77 -3.590 8.856 1.636 1.00 10.00 O ATOM 0 H GLY A 77 -1.913 9.454 0.532 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.962 11.028 -0.543 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.035 9.480 -1.361 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.636 9.357 0.800 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.390 8.663 1.815 1.00 10.00 C ATOM 1191 C GLU A 78 -7.602 8.044 1.145 1.00 10.00 C ATOM 1192 O GLU A 78 -8.042 8.547 0.119 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.835 9.637 2.902 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.734 10.606 3.360 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.103 11.332 4.647 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -7.174 11.009 5.207 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -5.255 12.113 5.123 1.00 10.00 O ATOM 0 H GLU A 78 -6.215 9.841 0.114 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.776 7.894 2.283 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.683 10.214 2.534 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.186 9.069 3.763 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.806 10.054 3.510 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.546 11.337 2.574 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.123 6.973 1.731 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.249 6.218 1.211 1.00 10.00 C ATOM 1206 C LEU A 79 -10.514 6.931 1.639 1.00 10.00 C ATOM 1207 O LEU A 79 -10.702 7.188 2.826 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.112 4.778 1.710 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.338 3.853 1.671 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.145 3.937 2.962 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.259 3.956 0.453 1.00 10.00 C ATOM 0 H LEU A 79 -7.761 6.597 2.607 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.282 6.162 0.123 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.323 4.302 1.127 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.765 4.820 2.742 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.885 2.867 1.567 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.004 3.269 2.898 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.518 3.642 3.803 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -11.491 4.960 3.109 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.081 3.248 0.558 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.658 4.968 0.383 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.694 3.726 -0.451 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.310 7.347 0.651 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.405 8.257 0.873 1.00 10.00 C ATOM 1225 C HIS A 80 -13.368 7.777 1.961 1.00 10.00 C ATOM 1226 O HIS A 80 -13.560 6.573 2.116 1.00 10.00 O ATOM 1227 CB HIS A 80 -13.086 8.588 -0.454 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.934 9.818 -0.387 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.306 9.896 -0.380 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.435 11.072 -0.193 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.622 11.185 -0.160 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.516 11.939 -0.032 1.00 10.00 N ATOM 0 H HIS A 80 -11.203 7.055 -0.320 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.002 9.188 1.271 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.325 8.720 -1.223 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.704 7.744 -0.759 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.390 11.345 -0.168 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.631 11.564 -0.095 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.476 12.942 0.147 1.00 10.00 H new ATOM 1240 N PRO A 81 -13.981 8.683 2.738 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.823 8.248 3.834 1.00 10.00 C ATOM 1242 C PRO A 81 -16.228 7.897 3.419 1.00 10.00 C ATOM 1243 O PRO A 81 -16.847 7.013 4.004 1.00 10.00 O ATOM 1244 CB PRO A 81 -14.920 9.448 4.783 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.750 10.351 4.383 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.691 10.104 2.885 1.00 10.00 C ATOM 0 HA PRO A 81 -14.385 7.350 4.270 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -15.874 9.964 4.674 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -14.843 9.137 5.825 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -13.937 11.398 4.621 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -12.823 10.071 4.884 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -14.420 10.715 2.353 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.710 10.353 2.480 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.752 8.634 2.440 1.00 10.00 N ATOM 1255 CA ASP A 82 -18.094 8.340 1.968 1.00 10.00 C ATOM 1256 C ASP A 82 -18.111 6.912 1.393 1.00 10.00 C ATOM 1257 O ASP A 82 -19.112 6.203 1.434 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.521 9.391 0.940 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.987 9.237 0.560 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.828 9.457 1.456 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -20.232 8.950 -0.630 1.00 10.00 O ATOM 0 H ASP A 82 -16.283 9.412 1.975 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.814 8.384 2.785 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -18.352 10.388 1.346 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.901 9.301 0.048 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.930 6.507 0.914 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.535 5.166 0.545 1.00 10.00 C ATOM 1268 C ASP A 83 -16.548 4.246 1.770 1.00 10.00 C ATOM 1269 O ASP A 83 -17.360 3.323 1.827 1.00 10.00 O ATOM 1270 CB ASP A 83 -15.120 5.268 -0.063 1.00 10.00 C ATOM 1271 CG ASP A 83 -15.079 5.116 -1.580 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -15.852 4.290 -2.105 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -14.232 5.795 -2.204 1.00 10.00 O ATOM 0 H ASP A 83 -16.171 7.173 0.767 1.00 10.00 H new ATOM 0 HA ASP A 83 -17.229 4.736 -0.177 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.690 6.233 0.206 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.488 4.501 0.385 1.00 10.00 H new ATOM 1278 N ARG A 84 -15.607 4.423 2.711 1.00 10.00 N ATOM 1279 CA ARG A 84 -15.281 3.360 3.655 1.00 10.00 C ATOM 1280 C ARG A 84 -14.487 3.889 4.852 1.00 10.00 C ATOM 1281 O ARG A 84 -13.731 4.864 4.668 1.00 10.00 O ATOM 1282 CB ARG A 84 -14.520 2.290 2.857 1.00 10.00 C ATOM 1283 CG ARG A 84 -13.918 1.107 3.626 1.00 10.00 C ATOM 1284 CD ARG A 84 -14.942 0.303 4.438 1.00 10.00 C ATOM 1285 NE ARG A 84 -14.845 0.652 5.862 1.00 10.00 N ATOM 1286 CZ ARG A 84 -15.077 -0.179 6.886 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -15.798 -1.286 6.680 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -14.580 0.077 8.100 1.00 10.00 N ATOM 1289 OXT ARG A 84 -14.628 3.285 5.941 1.00 10.00 O ATOM 0 H ARG A 84 -15.069 5.281 2.832 1.00 10.00 H new ATOM 0 HA ARG A 84 -16.181 2.929 4.093 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.200 1.888 2.106 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.711 2.786 2.322 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.426 0.440 2.918 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.147 1.480 4.300 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -15.948 0.508 4.073 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -14.766 -0.764 4.305 1.00 10.00 H new ATOM 0 HE ARG A 84 -14.578 1.610 6.090 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -16.165 -1.490 5.750 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -15.981 -1.926 7.452 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -14.017 0.913 8.255 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -14.764 -0.564 8.872 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.222 -5.795 4.292 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.674 -7.985 5.510 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.512 -3.165 4.556 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.810 -3.604 3.231 1.00 10.00 C HETATM 1308 CHD HEM A 201 4.029 -8.464 3.939 1.00 10.00 C HETATM 1309 NA HEM A 201 8.236 -5.613 4.897 1.00 10.00 N HETATM 1310 C1A HEM A 201 9.011 -6.633 5.381 1.00 10.00 C HETATM 1311 C2A HEM A 201 10.266 -6.049 5.808 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.263 -4.732 5.410 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.940 -4.437 4.923 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.414 -3.758 5.528 1.00 10.00 C HETATM 1315 CAA HEM A 201 11.311 -6.688 6.698 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.938 -6.647 8.188 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.545 -5.245 8.656 1.00 10.00 C HETATM 1318 O1A HEM A 201 11.467 -4.416 8.803 1.00 10.00 O HETATM 1319 O2A HEM A 201 9.334 -5.013 8.871 1.00 10.00 O HETATM 1320 NB HEM A 201 6.178 -3.780 3.941 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.224 -2.900 4.107 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.762 -1.586 3.726 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.466 -1.749 3.312 1.00 10.00 C HETATM 1324 C4B HEM A 201 5.080 -3.118 3.495 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.540 -0.300 3.825 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.640 -0.775 2.510 1.00 10.00 C HETATM 1327 CBB HEM A 201 4.045 0.253 3.134 1.00 10.00 C HETATM 1328 NC HEM A 201 4.270 -5.988 3.722 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.469 -4.938 3.366 1.00 10.00 C HETATM 1330 C2C HEM A 201 2.148 -5.449 3.122 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.241 -6.809 3.259 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.574 -7.167 3.670 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.948 -4.644 2.692 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.083 -7.763 3.120 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.696 -8.159 1.889 1.00 10.00 C HETATM 1336 ND HEM A 201 6.333 -7.854 4.655 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.319 -8.736 4.404 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.803 -10.054 4.733 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.116 -9.925 5.125 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.436 -8.516 5.124 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.002 -11.334 4.681 1.00 10.00 C HETATM 1342 CAD HEM A 201 8.087 -11.056 5.378 1.00 10.00 C HETATM 1343 CBD HEM A 201 8.251 -11.395 6.859 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.369 -12.413 7.027 1.00 10.00 C HETATM 1345 O1D HEM A 201 9.039 -13.584 7.313 1.00 10.00 O HETATM 1346 O2D HEM A 201 10.533 -12.002 6.834 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.324 -2.993 4.757 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.356 -4.291 5.402 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.393 -3.287 6.511 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.239 -0.361 4.659 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.852 0.530 3.989 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 8.092 -0.137 2.899 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.285 -5.270 2.094 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 1.276 -3.791 2.097 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.414 -4.288 3.573 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 3.954 -11.116 4.884 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.379 -12.030 5.431 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.095 -11.781 3.691 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.446 0.963 2.564 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.161 0.378 4.211 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.140 -8.849 1.776 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 1.220 -7.789 1.008 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.782 -7.001 8.780 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 10.111 -7.333 8.371 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 12.264 -6.179 6.554 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.455 -7.725 6.394 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 7.318 -11.795 7.257 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 8.479 -10.493 7.426 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 9.059 -10.790 4.964 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.746 -11.944 4.845 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.408 -8.656 5.930 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.213 -2.346 4.623 1.00 10.00 H new HETATM 0 HHC HEM A 201 3.050 -2.909 2.905 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.353 -9.291 3.780 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.527 -0.905 1.434 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.563 -8.130 4.005 1.00 10.00 H new