USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=25 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 -109:sc= 1.06 USER MOD Set 1.2: A 65 THR OG1 : rot 63:sc= 1.24 USER MOD Set 2.1: A 49 GLN : amide:sc= 1.14 K(o=1.4,f=-7.3) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.125 K(o=1.4,f=-6.6!) USER MOD Set 2.3: A 61 HIS : no HE2:sc= 0.471 K(o=1.4,f=-4.2!) USER MOD Set 2.4: A 201 HEM CMD :methyl -30:sc= -0.29 (180deg=-0.663) USER MOD Set 3.1: A 21 THR OG1 : rot -110:sc= 0.616 USER MOD Set 3.2: A 33 THR OG1 : rot -38:sc= 1.03 USER MOD Set 4.1: A 15 HIS : no HE2:sc= -2.97 K(o=-2,f=-19!) USER MOD Set 4.2: A 19 LYS NZ :NH3+ 172:sc= 0.332 (180deg=-0.00712) USER MOD Set 4.3: A 20 SER OG : rot -54:sc= 0.68 USER MOD Set 5.1: A 5 LYS NZ :NH3+ 150:sc= 2.5 (180deg=1.21) USER MOD Set 5.2: A 7 TYR OH : rot 180:sc= 1.06 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 13 GLN : amide:sc= -0.0854 K(o=-0.085,f=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 1.18 (180deg=1.09) USER MOD Single : A 16 ASN : amide:sc= 0.646 K(o=0.65,f=-3.1!) USER MOD Single : A 17 ASN : amide:sc= -0.209 K(o=-0.21,f=-2) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 27 TYR OH : rot 165:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ 147:sc= 1.31 (180deg=0.699) USER MOD Single : A 30 TYR OH : rot 0:sc=-0.00134 USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= 1 (180deg=-2!) USER MOD Single : A 55 THR OG1 : rot 87:sc= 1.86 USER MOD Single : A 71 SER OG : rot 180:sc= -0.114 USER MOD Single : A 72 LYS NZ :NH3+ -131:sc= 0.639 (180deg=-3.69!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.771 X(o=-0.77,f=-1.2) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0634 (180deg=-0.475) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.949 (180deg=-4.09!) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.929 (180deg=-0.929) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -11.188 17.373 1.369 1.00 10.00 N ATOM 2 CA ALA A 3 -10.129 17.944 2.223 1.00 10.00 C ATOM 3 C ALA A 3 -9.041 16.887 2.353 1.00 10.00 C ATOM 4 O ALA A 3 -9.153 15.878 1.663 1.00 10.00 O ATOM 5 CB ALA A 3 -9.565 19.231 1.612 1.00 10.00 C ATOM 0 HA ALA A 3 -10.529 18.209 3.202 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -8.786 19.631 2.261 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -9.143 19.013 0.631 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -10.364 19.965 1.509 1.00 10.00 H new ATOM 13 N VAL A 4 -8.020 17.110 3.188 1.00 10.00 N ATOM 14 CA VAL A 4 -6.812 16.285 3.191 1.00 10.00 C ATOM 15 C VAL A 4 -6.310 16.242 1.748 1.00 10.00 C ATOM 16 O VAL A 4 -6.072 17.310 1.182 1.00 10.00 O ATOM 17 CB VAL A 4 -7.053 14.908 3.849 1.00 10.00 C ATOM 18 CG1 VAL A 4 -5.740 14.399 4.456 1.00 10.00 C ATOM 19 CG2 VAL A 4 -8.122 14.958 4.927 1.00 10.00 C ATOM 0 H VAL A 4 -8.010 17.863 3.876 1.00 10.00 H new ATOM 0 HA VAL A 4 -6.027 16.712 3.816 1.00 10.00 H new ATOM 0 HB VAL A 4 -7.406 14.230 3.071 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.907 13.427 4.921 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.990 14.302 3.671 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.389 15.106 5.208 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -8.252 13.965 5.357 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.818 15.655 5.708 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -9.064 15.291 4.490 1.00 10.00 H new ATOM 29 N LYS A 5 -6.294 15.077 1.099 1.00 10.00 N ATOM 30 CA LYS A 5 -6.571 15.016 -0.320 1.00 10.00 C ATOM 31 C LYS A 5 -7.749 14.076 -0.568 1.00 10.00 C ATOM 32 O LYS A 5 -8.730 14.449 -1.208 1.00 10.00 O ATOM 33 CB LYS A 5 -5.296 14.592 -1.054 1.00 10.00 C ATOM 34 CG LYS A 5 -5.436 14.773 -2.568 1.00 10.00 C ATOM 35 CD LYS A 5 -4.361 13.976 -3.311 1.00 10.00 C ATOM 36 CE LYS A 5 -2.927 14.457 -3.072 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.956 13.497 -3.631 1.00 10.00 N ATOM 0 H LYS A 5 -6.094 14.177 1.535 1.00 10.00 H new ATOM 0 HA LYS A 5 -6.861 15.992 -0.709 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -4.453 15.181 -0.692 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -5.075 13.548 -0.830 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -6.425 14.445 -2.888 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -5.353 15.830 -2.822 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -4.433 12.930 -3.013 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -4.570 14.018 -4.380 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.785 15.435 -3.531 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.752 14.578 -2.003 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -1.098 14.004 -3.927 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.709 12.792 -2.908 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -2.376 13.018 -4.453 1.00 10.00 H new ATOM 51 N TYR A 6 -7.615 12.857 -0.055 1.00 10.00 N ATOM 52 CA TYR A 6 -8.399 11.686 -0.356 1.00 10.00 C ATOM 53 C TYR A 6 -8.382 11.274 -1.821 1.00 10.00 C ATOM 54 O TYR A 6 -8.216 12.063 -2.747 1.00 10.00 O ATOM 55 CB TYR A 6 -9.819 11.715 0.208 1.00 10.00 C ATOM 56 CG TYR A 6 -9.943 11.577 1.700 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.838 10.293 2.231 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.183 12.667 2.554 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.712 10.105 3.607 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.225 12.454 3.945 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.917 11.188 4.476 1.00 10.00 C ATOM 62 OH TYR A 6 -9.812 11.021 5.824 1.00 10.00 O ATOM 0 H TYR A 6 -6.893 12.657 0.638 1.00 10.00 H new ATOM 0 HA TYR A 6 -7.874 10.898 0.184 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.287 12.654 -0.089 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.390 10.912 -0.259 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -9.854 9.437 1.572 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.333 13.656 2.148 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -9.458 9.132 4.002 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.494 13.264 4.606 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.984 11.875 6.274 1.00 10.00 H new ATOM 72 N TYR A 7 -8.514 9.961 -1.958 1.00 10.00 N ATOM 73 CA TYR A 7 -8.298 9.126 -3.093 1.00 10.00 C ATOM 74 C TYR A 7 -9.274 7.961 -2.927 1.00 10.00 C ATOM 75 O TYR A 7 -9.464 7.409 -1.842 1.00 10.00 O ATOM 76 CB TYR A 7 -6.836 8.695 -2.984 1.00 10.00 C ATOM 77 CG TYR A 7 -5.818 9.382 -3.889 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.109 10.591 -4.560 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.484 8.949 -3.832 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.079 11.373 -5.104 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.459 9.702 -4.430 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.753 10.921 -5.057 1.00 10.00 C ATOM 83 OH TYR A 7 -2.736 11.723 -5.496 1.00 10.00 O ATOM 0 H TYR A 7 -8.815 9.401 -1.160 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.465 9.584 -4.068 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.520 8.845 -1.952 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -6.788 7.624 -3.180 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.134 10.916 -4.655 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.243 8.027 -3.323 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.308 12.325 -5.560 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.442 9.340 -4.406 1.00 10.00 H new ATOM 0 HH TYR A 7 -1.882 11.255 -5.391 1.00 10.00 H new ATOM 93 N THR A 8 -9.978 7.657 -4.002 1.00 10.00 N ATOM 94 CA THR A 8 -11.189 6.861 -3.975 1.00 10.00 C ATOM 95 C THR A 8 -10.837 5.388 -4.162 1.00 10.00 C ATOM 96 O THR A 8 -9.922 5.095 -4.920 1.00 10.00 O ATOM 97 CB THR A 8 -12.071 7.362 -5.126 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.273 7.463 -6.291 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.625 8.753 -4.810 1.00 10.00 C ATOM 0 H THR A 8 -9.717 7.964 -4.939 1.00 10.00 H new ATOM 0 HA THR A 8 -11.713 6.957 -3.024 1.00 10.00 H new ATOM 0 HB THR A 8 -12.898 6.666 -5.268 1.00 10.00 H new ATOM 0 HG1 THR A 8 -11.823 7.781 -7.038 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.248 9.093 -5.637 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.223 8.708 -3.900 1.00 10.00 H new ATOM 0 HG23 THR A 8 -11.799 9.450 -4.668 1.00 10.00 H new ATOM 107 N LEU A 9 -11.573 4.454 -3.548 1.00 10.00 N ATOM 108 CA LEU A 9 -11.549 3.038 -3.929 1.00 10.00 C ATOM 109 C LEU A 9 -11.519 2.861 -5.445 1.00 10.00 C ATOM 110 O LEU A 9 -10.718 2.078 -5.942 1.00 10.00 O ATOM 111 CB LEU A 9 -12.695 2.298 -3.236 1.00 10.00 C ATOM 112 CG LEU A 9 -12.962 0.863 -3.729 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.489 0.011 -2.569 1.00 10.00 C ATOM 114 CD2 LEU A 9 -13.996 0.815 -4.864 1.00 10.00 C ATOM 0 H LEU A 9 -12.202 4.660 -2.772 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.622 2.583 -3.580 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.485 2.262 -2.167 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.607 2.881 -3.362 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.016 0.477 -4.108 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.677 -1.004 -2.919 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.749 -0.013 -1.769 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.416 0.443 -2.192 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.148 -0.219 -5.175 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -14.941 1.231 -4.513 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.635 1.399 -5.710 1.00 10.00 H new ATOM 126 N GLU A 10 -12.332 3.637 -6.172 1.00 10.00 N ATOM 127 CA GLU A 10 -12.284 3.712 -7.627 1.00 10.00 C ATOM 128 C GLU A 10 -10.838 3.768 -8.114 1.00 10.00 C ATOM 129 O GLU A 10 -10.410 2.912 -8.886 1.00 10.00 O ATOM 130 CB GLU A 10 -13.063 4.949 -8.097 1.00 10.00 C ATOM 131 CG GLU A 10 -13.221 5.040 -9.623 1.00 10.00 C ATOM 132 CD GLU A 10 -13.932 3.836 -10.227 1.00 10.00 C ATOM 133 OE1 GLU A 10 -14.946 3.412 -9.639 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.438 3.347 -11.268 1.00 10.00 O ATOM 0 H GLU A 10 -13.047 4.234 -5.757 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.744 2.818 -8.049 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.052 4.940 -7.639 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.554 5.844 -7.740 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.777 5.944 -9.871 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.235 5.138 -10.078 1.00 10.00 H new ATOM 141 N GLU A 11 -10.079 4.757 -7.633 1.00 10.00 N ATOM 142 CA GLU A 11 -8.669 4.870 -7.955 1.00 10.00 C ATOM 143 C GLU A 11 -7.892 3.702 -7.368 1.00 10.00 C ATOM 144 O GLU A 11 -7.115 3.083 -8.086 1.00 10.00 O ATOM 145 CB GLU A 11 -8.044 6.171 -7.435 1.00 10.00 C ATOM 146 CG GLU A 11 -8.248 7.383 -8.345 1.00 10.00 C ATOM 147 CD GLU A 11 -7.457 7.224 -9.648 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.975 6.636 -10.625 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.263 7.584 -9.671 1.00 10.00 O ATOM 0 H GLU A 11 -10.428 5.491 -7.016 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.607 4.868 -9.043 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.465 6.394 -6.455 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -6.974 6.014 -7.295 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.308 7.500 -8.570 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -7.929 8.289 -7.829 1.00 10.00 H new ATOM 156 N ILE A 12 -8.021 3.437 -6.066 1.00 10.00 N ATOM 157 CA ILE A 12 -7.116 2.513 -5.409 1.00 10.00 C ATOM 158 C ILE A 12 -7.134 1.174 -6.150 1.00 10.00 C ATOM 159 O ILE A 12 -6.078 0.646 -6.487 1.00 10.00 O ATOM 160 CB ILE A 12 -7.391 2.329 -3.897 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.840 3.521 -3.033 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.127 1.830 -3.201 1.00 10.00 C ATOM 163 CD1 ILE A 12 -7.218 4.888 -3.278 1.00 10.00 C ATOM 0 H ILE A 12 -8.733 3.845 -5.461 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.119 2.951 -5.458 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.244 1.652 -3.945 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -8.919 3.625 -3.151 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.657 3.259 -1.991 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.324 1.702 -2.137 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.827 0.875 -3.632 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.326 2.557 -3.336 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -7.646 5.612 -2.585 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.141 4.830 -3.123 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.421 5.202 -4.302 1.00 10.00 H new ATOM 175 N GLN A 13 -8.335 0.679 -6.464 1.00 10.00 N ATOM 176 CA GLN A 13 -8.557 -0.564 -7.192 1.00 10.00 C ATOM 177 C GLN A 13 -7.771 -0.522 -8.499 1.00 10.00 C ATOM 178 O GLN A 13 -7.007 -1.421 -8.834 1.00 10.00 O ATOM 179 CB GLN A 13 -10.053 -0.692 -7.520 1.00 10.00 C ATOM 180 CG GLN A 13 -10.887 -1.121 -6.302 1.00 10.00 C ATOM 181 CD GLN A 13 -11.051 -2.632 -6.149 1.00 10.00 C ATOM 182 OE1 GLN A 13 -10.565 -3.369 -7.037 1.00 10.00 O ATOM 183 NE2 GLN A 13 -11.713 -3.017 -5.162 1.00 10.00 N ATOM 0 H GLN A 13 -9.203 1.150 -6.209 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.232 -1.410 -6.586 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.423 0.263 -7.892 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.185 -1.419 -8.321 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.420 -0.725 -5.400 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.875 -0.666 -6.375 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -12.069 -2.337 -4.490 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -11.898 -4.011 -5.028 1.00 10.00 H new ATOM 190 N LYS A 14 -7.986 0.568 -9.233 1.00 10.00 N ATOM 191 CA LYS A 14 -7.334 0.863 -10.492 1.00 10.00 C ATOM 192 C LYS A 14 -5.811 0.763 -10.335 1.00 10.00 C ATOM 193 O LYS A 14 -5.120 0.148 -11.148 1.00 10.00 O ATOM 194 CB LYS A 14 -7.753 2.283 -10.894 1.00 10.00 C ATOM 195 CG LYS A 14 -8.011 2.483 -12.392 1.00 10.00 C ATOM 196 CD LYS A 14 -9.305 1.799 -12.878 1.00 10.00 C ATOM 197 CE LYS A 14 -10.518 2.170 -12.002 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.817 1.852 -12.623 1.00 10.00 N ATOM 0 H LYS A 14 -8.645 1.293 -8.950 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.626 0.150 -11.263 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.658 2.547 -10.346 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -6.975 2.978 -10.579 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.069 3.550 -12.606 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.165 2.090 -12.956 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.502 2.087 -13.911 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.169 0.718 -12.869 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.442 1.644 -11.050 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.482 3.237 -11.781 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.585 2.234 -12.035 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.862 2.277 -13.571 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.921 0.820 -12.701 1.00 10.00 H new ATOM 212 N HIS A 15 -5.282 1.388 -9.283 1.00 10.00 N ATOM 213 CA HIS A 15 -3.876 1.348 -8.939 1.00 10.00 C ATOM 214 C HIS A 15 -3.509 0.022 -8.273 1.00 10.00 C ATOM 215 O HIS A 15 -3.047 -0.041 -7.138 1.00 10.00 O ATOM 216 CB HIS A 15 -3.501 2.537 -8.064 1.00 10.00 C ATOM 217 CG HIS A 15 -3.361 3.860 -8.763 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.180 4.483 -9.093 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.371 4.726 -9.071 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.477 5.671 -9.639 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.805 5.850 -9.681 1.00 10.00 N ATOM 0 H HIS A 15 -5.839 1.947 -8.637 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.298 1.419 -9.860 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.256 2.640 -7.285 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.558 2.312 -7.566 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.243 4.107 -8.948 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.422 4.570 -8.878 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.748 6.384 -9.995 1.00 10.00 H new ATOM 229 N ASN A 16 -3.611 -1.041 -9.052 1.00 10.00 N ATOM 230 CA ASN A 16 -2.883 -2.278 -8.805 1.00 10.00 C ATOM 231 C ASN A 16 -2.418 -2.897 -10.118 1.00 10.00 C ATOM 232 O ASN A 16 -2.136 -4.092 -10.177 1.00 10.00 O ATOM 233 CB ASN A 16 -3.696 -3.228 -7.917 1.00 10.00 C ATOM 234 CG ASN A 16 -4.959 -3.796 -8.558 1.00 10.00 C ATOM 235 OD1 ASN A 16 -5.162 -3.714 -9.768 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.817 -4.390 -7.734 1.00 10.00 N ATOM 0 H ASN A 16 -4.205 -1.072 -9.880 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.977 -2.058 -8.240 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.055 -4.057 -7.618 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.977 -2.698 -7.007 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.678 -4.797 -8.100 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.615 -4.439 -6.735 1.00 10.00 H new ATOM 243 N ASN A 17 -2.297 -2.076 -11.172 1.00 10.00 N ATOM 244 CA ASN A 17 -1.936 -2.552 -12.496 1.00 10.00 C ATOM 245 C ASN A 17 -1.482 -1.382 -13.364 1.00 10.00 C ATOM 246 O ASN A 17 -2.279 -0.781 -14.082 1.00 10.00 O ATOM 247 CB ASN A 17 -3.122 -3.287 -13.139 1.00 10.00 C ATOM 248 CG ASN A 17 -2.785 -3.799 -14.539 1.00 10.00 C ATOM 249 OD1 ASN A 17 -1.640 -3.754 -14.981 1.00 10.00 O ATOM 250 ND2 ASN A 17 -3.784 -4.304 -15.256 1.00 10.00 N ATOM 0 H ASN A 17 -2.448 -1.069 -11.121 1.00 10.00 H new ATOM 0 HA ASN A 17 -1.109 -3.257 -12.409 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -3.415 -4.125 -12.507 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -3.978 -2.615 -13.195 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -3.607 -4.664 -16.194 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -4.727 -4.331 -14.868 1.00 10.00 H new ATOM 257 N SER A 18 -0.192 -1.049 -13.299 1.00 10.00 N ATOM 258 CA SER A 18 0.516 -0.230 -14.282 1.00 10.00 C ATOM 259 C SER A 18 0.321 1.258 -13.994 1.00 10.00 C ATOM 260 O SER A 18 1.287 2.015 -14.014 1.00 10.00 O ATOM 261 CB SER A 18 0.148 -0.629 -15.722 1.00 10.00 C ATOM 262 OG SER A 18 1.140 -0.173 -16.620 1.00 10.00 O ATOM 0 H SER A 18 0.409 -1.353 -12.533 1.00 10.00 H new ATOM 0 HA SER A 18 1.584 -0.424 -14.188 1.00 10.00 H new ATOM 0 HB2 SER A 18 0.051 -1.712 -15.794 1.00 10.00 H new ATOM 0 HB3 SER A 18 -0.819 -0.204 -15.990 1.00 10.00 H new ATOM 0 HG SER A 18 0.899 -0.433 -17.534 1.00 10.00 H new ATOM 268 N LYS A 19 -0.914 1.645 -13.647 1.00 10.00 N ATOM 269 CA LYS A 19 -1.233 2.862 -12.910 1.00 10.00 C ATOM 270 C LYS A 19 -0.105 3.178 -11.907 1.00 10.00 C ATOM 271 O LYS A 19 0.658 4.123 -12.093 1.00 10.00 O ATOM 272 CB LYS A 19 -2.563 2.628 -12.158 1.00 10.00 C ATOM 273 CG LYS A 19 -3.853 3.246 -12.721 1.00 10.00 C ATOM 274 CD LYS A 19 -3.774 4.775 -12.932 1.00 10.00 C ATOM 275 CE LYS A 19 -5.129 5.524 -12.922 1.00 10.00 C ATOM 276 NZ LYS A 19 -5.728 5.689 -11.573 1.00 10.00 N ATOM 0 H LYS A 19 -1.742 1.097 -13.882 1.00 10.00 H new ATOM 0 HA LYS A 19 -1.330 3.706 -13.593 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -2.717 1.551 -12.088 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -2.436 2.999 -11.141 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -4.087 2.769 -13.673 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -4.677 3.025 -12.042 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -3.140 5.199 -12.153 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -3.280 4.967 -13.885 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -4.989 6.509 -13.367 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -5.833 4.985 -13.556 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -6.558 6.313 -11.636 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -6.020 4.760 -11.207 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -5.026 6.109 -10.931 1.00 10.00 H new ATOM 290 N SER A 20 -0.040 2.372 -10.841 1.00 10.00 N ATOM 291 CA SER A 20 0.900 2.292 -9.737 1.00 10.00 C ATOM 292 C SER A 20 0.307 1.182 -8.856 1.00 10.00 C ATOM 293 O SER A 20 -0.729 0.609 -9.207 1.00 10.00 O ATOM 294 CB SER A 20 1.050 3.600 -8.936 1.00 10.00 C ATOM 295 OG SER A 20 0.457 4.719 -9.557 1.00 10.00 O ATOM 0 H SER A 20 -0.759 1.658 -10.726 1.00 10.00 H new ATOM 0 HA SER A 20 1.910 2.096 -10.096 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.605 3.465 -7.950 1.00 10.00 H new ATOM 0 HB3 SER A 20 2.110 3.801 -8.782 1.00 10.00 H new ATOM 0 HG SER A 20 0.799 4.806 -10.471 1.00 10.00 H new ATOM 301 N THR A 21 0.941 0.881 -7.731 1.00 10.00 N ATOM 302 CA THR A 21 0.508 -0.139 -6.787 1.00 10.00 C ATOM 303 C THR A 21 0.141 0.516 -5.448 1.00 10.00 C ATOM 304 O THR A 21 1.010 0.759 -4.612 1.00 10.00 O ATOM 305 CB THR A 21 1.623 -1.188 -6.678 1.00 10.00 C ATOM 306 OG1 THR A 21 2.227 -1.344 -7.952 1.00 10.00 O ATOM 307 CG2 THR A 21 1.065 -2.533 -6.204 1.00 10.00 C ATOM 0 H THR A 21 1.797 1.355 -7.442 1.00 10.00 H new ATOM 0 HA THR A 21 -0.394 -0.649 -7.126 1.00 10.00 H new ATOM 0 HB THR A 21 2.359 -0.851 -5.948 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.995 -2.223 -8.319 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.875 -3.259 -6.135 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.603 -2.410 -5.224 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.319 -2.888 -6.915 1.00 10.00 H new ATOM 315 N TRP A 22 -1.152 0.813 -5.285 1.00 10.00 N ATOM 316 CA TRP A 22 -1.798 1.508 -4.176 1.00 10.00 C ATOM 317 C TRP A 22 -2.318 0.488 -3.173 1.00 10.00 C ATOM 318 O TRP A 22 -2.763 -0.573 -3.584 1.00 10.00 O ATOM 319 CB TRP A 22 -2.915 2.387 -4.746 1.00 10.00 C ATOM 320 CG TRP A 22 -2.447 3.693 -5.342 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.187 3.952 -5.748 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.188 4.916 -5.638 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.101 5.206 -6.308 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.321 5.846 -6.289 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.511 5.337 -5.419 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.768 7.093 -6.753 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -4.965 6.591 -5.855 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.122 7.431 -6.596 1.00 10.00 C ATOM 0 H TRP A 22 -1.834 0.546 -5.995 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.094 2.149 -3.646 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.447 1.823 -5.512 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.631 2.601 -3.953 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.358 3.268 -5.647 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.245 5.610 -6.688 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.195 4.679 -4.903 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.082 7.782 -7.223 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -5.969 6.911 -5.619 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.512 8.333 -7.044 1.00 10.00 H new ATOM 339 N LEU A 23 -2.266 0.763 -1.868 1.00 10.00 N ATOM 340 CA LEU A 23 -2.910 -0.072 -0.853 1.00 10.00 C ATOM 341 C LEU A 23 -3.407 0.825 0.273 1.00 10.00 C ATOM 342 O LEU A 23 -2.885 1.932 0.425 1.00 10.00 O ATOM 343 CB LEU A 23 -1.986 -1.171 -0.281 1.00 10.00 C ATOM 344 CG LEU A 23 -0.648 -1.429 -0.983 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.386 -0.543 -0.309 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.211 -2.892 -0.856 1.00 10.00 C ATOM 0 H LEU A 23 -1.776 1.572 -1.485 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.737 -0.593 -1.336 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.774 -0.920 0.758 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.545 -2.107 -0.275 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.748 -1.209 -2.046 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.358 -0.695 -0.779 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.093 0.502 -0.412 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.451 -0.799 0.749 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.742 -3.033 -1.367 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.099 -3.148 0.198 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.964 -3.537 -1.308 1.00 10.00 H new ATOM 358 N ILE A 24 -4.385 0.350 1.059 1.00 10.00 N ATOM 359 CA ILE A 24 -4.874 1.069 2.235 1.00 10.00 C ATOM 360 C ILE A 24 -4.331 0.450 3.510 1.00 10.00 C ATOM 361 O ILE A 24 -4.525 -0.739 3.740 1.00 10.00 O ATOM 362 CB ILE A 24 -6.415 1.110 2.326 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.156 1.300 0.992 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.797 2.218 3.311 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.579 0.730 1.050 1.00 10.00 C ATOM 0 H ILE A 24 -4.855 -0.540 0.894 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.515 2.092 2.124 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.735 0.125 2.666 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.198 2.361 0.747 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.599 0.810 0.193 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.882 2.271 3.396 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.367 2.000 4.288 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.414 3.173 2.951 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.072 0.883 0.090 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.535 -0.337 1.270 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.143 1.239 1.832 1.00 10.00 H new ATOM 377 N LEU A 25 -3.702 1.273 4.347 1.00 10.00 N ATOM 378 CA LEU A 25 -3.272 0.936 5.691 1.00 10.00 C ATOM 379 C LEU A 25 -3.884 2.002 6.609 1.00 10.00 C ATOM 380 O LEU A 25 -3.634 3.194 6.446 1.00 10.00 O ATOM 381 CB LEU A 25 -1.741 0.947 5.755 1.00 10.00 C ATOM 382 CG LEU A 25 -1.010 -0.354 5.392 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.373 -0.921 4.021 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.502 -0.099 5.409 1.00 10.00 C ATOM 0 H LEU A 25 -3.471 2.233 4.090 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.596 -0.059 5.996 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.382 1.732 5.090 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.448 1.227 6.767 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.321 -1.088 6.135 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.811 -1.839 3.847 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.441 -1.137 3.988 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.126 -0.192 3.249 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.029 -1.018 5.152 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.749 0.676 4.683 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.805 0.227 6.404 1.00 10.00 H new ATOM 396 N HIS A 26 -4.735 1.601 7.550 1.00 10.00 N ATOM 397 CA HIS A 26 -5.331 2.478 8.556 1.00 10.00 C ATOM 398 C HIS A 26 -6.083 3.656 7.942 1.00 10.00 C ATOM 399 O HIS A 26 -6.079 4.752 8.516 1.00 10.00 O ATOM 400 CB HIS A 26 -4.279 3.015 9.534 1.00 10.00 C ATOM 401 CG HIS A 26 -3.258 2.013 10.008 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.426 1.085 11.010 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.961 1.928 9.577 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.252 0.452 11.171 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.328 0.931 10.321 1.00 10.00 N ATOM 0 H HIS A 26 -5.038 0.631 7.637 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.046 1.857 9.095 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.755 3.843 9.057 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.793 3.423 10.405 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.508 2.526 8.800 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.075 -0.336 11.888 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.358 0.627 10.236 1.00 10.00 H new ATOM 413 N TYR A 27 -6.716 3.438 6.787 1.00 10.00 N ATOM 414 CA TYR A 27 -7.490 4.443 6.067 1.00 10.00 C ATOM 415 C TYR A 27 -6.604 5.420 5.282 1.00 10.00 C ATOM 416 O TYR A 27 -7.118 6.339 4.648 1.00 10.00 O ATOM 417 CB TYR A 27 -8.408 5.188 7.046 1.00 10.00 C ATOM 418 CG TYR A 27 -9.741 5.658 6.532 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.865 6.988 6.093 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.887 4.931 6.895 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.127 7.600 6.042 1.00 10.00 C ATOM 422 CE2 TYR A 27 -12.136 5.564 6.901 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.266 6.882 6.439 1.00 10.00 C ATOM 424 OH TYR A 27 -13.474 7.504 6.473 1.00 10.00 O ATOM 0 H TYR A 27 -6.702 2.533 6.317 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.099 3.926 5.326 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.589 4.535 7.900 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -7.866 6.057 7.419 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -8.986 7.540 5.794 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.805 3.889 7.168 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -11.221 8.620 5.699 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.004 5.034 7.264 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.186 6.833 6.531 1.00 10.00 H new ATOM 434 N LYS A 28 -5.276 5.275 5.331 1.00 10.00 N ATOM 435 CA LYS A 28 -4.366 6.113 4.553 1.00 10.00 C ATOM 436 C LYS A 28 -3.940 5.285 3.345 1.00 10.00 C ATOM 437 O LYS A 28 -3.972 4.058 3.415 1.00 10.00 O ATOM 438 CB LYS A 28 -3.166 6.582 5.388 1.00 10.00 C ATOM 439 CG LYS A 28 -3.478 7.688 6.411 1.00 10.00 C ATOM 440 CD LYS A 28 -4.571 7.191 7.356 1.00 10.00 C ATOM 441 CE LYS A 28 -4.611 7.814 8.750 1.00 10.00 C ATOM 442 NZ LYS A 28 -5.723 7.218 9.524 1.00 10.00 N ATOM 0 H LYS A 28 -4.807 4.577 5.908 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.861 7.029 4.232 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.754 5.723 5.918 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.390 6.942 4.712 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.581 7.945 6.974 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -3.804 8.594 5.900 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -5.536 7.362 6.879 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.458 6.113 7.469 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.664 7.644 9.263 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.744 8.893 8.674 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.460 7.170 10.529 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -6.575 7.805 9.417 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.917 6.259 9.171 1.00 10.00 H new ATOM 456 N VAL A 29 -3.590 5.942 2.237 1.00 10.00 N ATOM 457 CA VAL A 29 -3.328 5.275 0.966 1.00 10.00 C ATOM 458 C VAL A 29 -1.840 5.371 0.639 1.00 10.00 C ATOM 459 O VAL A 29 -1.204 6.402 0.875 1.00 10.00 O ATOM 460 CB VAL A 29 -4.214 5.855 -0.144 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.801 5.403 -1.543 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.666 5.424 0.063 1.00 10.00 C ATOM 0 H VAL A 29 -3.481 6.955 2.199 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.584 4.218 1.044 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.099 6.937 -0.079 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.468 5.849 -2.281 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.777 5.720 -1.740 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.863 4.317 -1.607 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.286 5.841 -0.730 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.730 4.336 0.039 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.019 5.787 1.028 1.00 10.00 H new ATOM 472 N TYR A 30 -1.297 4.273 0.111 1.00 10.00 N ATOM 473 CA TYR A 30 0.127 4.030 0.021 1.00 10.00 C ATOM 474 C TYR A 30 0.450 3.517 -1.373 1.00 10.00 C ATOM 475 O TYR A 30 0.033 2.412 -1.703 1.00 10.00 O ATOM 476 CB TYR A 30 0.432 2.983 1.095 1.00 10.00 C ATOM 477 CG TYR A 30 0.346 3.569 2.485 1.00 10.00 C ATOM 478 CD1 TYR A 30 1.297 4.508 2.919 1.00 10.00 C ATOM 479 CD2 TYR A 30 -0.840 3.407 3.218 1.00 10.00 C ATOM 480 CE1 TYR A 30 1.114 5.183 4.137 1.00 10.00 C ATOM 481 CE2 TYR A 30 -1.010 4.080 4.435 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.012 4.925 4.925 1.00 10.00 C ATOM 483 OH TYR A 30 -0.137 5.500 6.155 1.00 10.00 O ATOM 0 H TYR A 30 -1.858 3.513 -0.274 1.00 10.00 H new ATOM 0 HA TYR A 30 0.727 4.926 0.182 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.270 2.154 1.005 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.430 2.575 0.933 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.169 4.711 2.315 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.622 2.763 2.844 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.847 5.905 4.467 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -1.921 3.944 4.999 1.00 10.00 H new ATOM 0 HH TYR A 30 0.646 6.062 6.334 1.00 10.00 H new ATOM 493 N ASP A 31 1.176 4.303 -2.172 1.00 10.00 N ATOM 494 CA ASP A 31 1.714 3.886 -3.458 1.00 10.00 C ATOM 495 C ASP A 31 3.111 3.350 -3.212 1.00 10.00 C ATOM 496 O ASP A 31 3.839 3.939 -2.411 1.00 10.00 O ATOM 497 CB ASP A 31 1.832 5.083 -4.399 1.00 10.00 C ATOM 498 CG ASP A 31 1.959 4.662 -5.853 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.357 3.504 -6.108 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.541 5.488 -6.692 1.00 10.00 O ATOM 0 H ASP A 31 1.408 5.267 -1.933 1.00 10.00 H new ATOM 0 HA ASP A 31 1.059 3.139 -3.906 1.00 10.00 H new ATOM 0 HB2 ASP A 31 0.956 5.721 -4.283 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.700 5.679 -4.118 1.00 10.00 H new ATOM 505 N LEU A 32 3.485 2.256 -3.873 1.00 10.00 N ATOM 506 CA LEU A 32 4.842 1.742 -3.783 1.00 10.00 C ATOM 507 C LEU A 32 5.436 1.558 -5.184 1.00 10.00 C ATOM 508 O LEU A 32 6.296 2.339 -5.587 1.00 10.00 O ATOM 509 CB LEU A 32 4.927 0.487 -2.892 1.00 10.00 C ATOM 510 CG LEU A 32 3.820 0.264 -1.843 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.145 -1.035 -1.096 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.682 1.364 -0.787 1.00 10.00 C ATOM 0 H LEU A 32 2.866 1.712 -4.474 1.00 10.00 H new ATOM 0 HA LEU A 32 5.465 2.480 -3.278 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.947 -0.385 -3.546 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.882 0.515 -2.368 1.00 10.00 H new ATOM 0 HG LEU A 32 2.882 0.246 -2.397 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.379 -1.223 -0.344 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.171 -1.864 -1.803 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.116 -0.942 -0.610 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.876 1.109 -0.099 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.616 1.456 -0.233 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.456 2.311 -1.276 1.00 10.00 H new ATOM 524 N THR A 33 5.014 0.515 -5.910 1.00 10.00 N ATOM 525 CA THR A 33 5.460 0.136 -7.256 1.00 10.00 C ATOM 526 C THR A 33 6.964 -0.179 -7.365 1.00 10.00 C ATOM 527 O THR A 33 7.328 -1.285 -7.747 1.00 10.00 O ATOM 528 CB THR A 33 4.970 1.135 -8.311 1.00 10.00 C ATOM 529 OG1 THR A 33 3.563 1.083 -8.319 1.00 10.00 O ATOM 530 CG2 THR A 33 5.447 0.775 -9.722 1.00 10.00 C ATOM 0 H THR A 33 4.308 -0.127 -5.550 1.00 10.00 H new ATOM 0 HA THR A 33 4.982 -0.820 -7.470 1.00 10.00 H new ATOM 0 HB THR A 33 5.363 2.119 -8.057 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.269 0.156 -8.194 1.00 10.00 H new ATOM 0 HG21 THR A 33 5.073 1.513 -10.432 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.537 0.767 -9.747 1.00 10.00 H new ATOM 0 HG23 THR A 33 5.071 -0.212 -9.993 1.00 10.00 H new ATOM 538 N LYS A 34 7.862 0.749 -7.037 1.00 10.00 N ATOM 539 CA LYS A 34 9.289 0.461 -6.960 1.00 10.00 C ATOM 540 C LYS A 34 9.556 -0.562 -5.848 1.00 10.00 C ATOM 541 O LYS A 34 10.356 -1.482 -6.003 1.00 10.00 O ATOM 542 CB LYS A 34 10.051 1.773 -6.714 1.00 10.00 C ATOM 543 CG LYS A 34 11.549 1.540 -6.473 1.00 10.00 C ATOM 544 CD LYS A 34 12.311 2.873 -6.416 1.00 10.00 C ATOM 545 CE LYS A 34 13.762 2.657 -5.961 1.00 10.00 C ATOM 546 NZ LYS A 34 13.857 2.397 -4.511 1.00 10.00 N ATOM 0 H LYS A 34 7.620 1.716 -6.819 1.00 10.00 H new ATOM 0 HA LYS A 34 9.637 0.028 -7.898 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.922 2.432 -7.572 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.622 2.284 -5.852 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.690 0.996 -5.539 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.957 0.918 -7.270 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.300 3.345 -7.399 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.808 3.555 -5.730 1.00 10.00 H new ATOM 0 HE2 LYS A 34 14.192 1.818 -6.508 1.00 10.00 H new ATOM 0 HE3 LYS A 34 14.354 3.537 -6.211 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.771 1.948 -4.298 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.783 3.295 -3.992 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.085 1.764 -4.220 1.00 10.00 H new ATOM 560 N PHE A 35 8.897 -0.377 -4.703 1.00 10.00 N ATOM 561 CA PHE A 35 9.250 -1.073 -3.472 1.00 10.00 C ATOM 562 C PHE A 35 8.931 -2.558 -3.575 1.00 10.00 C ATOM 563 O PHE A 35 9.513 -3.376 -2.875 1.00 10.00 O ATOM 564 CB PHE A 35 8.492 -0.469 -2.289 1.00 10.00 C ATOM 565 CG PHE A 35 9.081 -0.829 -0.945 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.381 -0.404 -0.610 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.381 -1.690 -0.082 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.989 -0.864 0.570 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.996 -2.157 1.086 1.00 10.00 C ATOM 570 CZ PHE A 35 10.300 -1.749 1.416 1.00 10.00 C ATOM 0 H PHE A 35 8.105 0.259 -4.606 1.00 10.00 H new ATOM 0 HA PHE A 35 10.322 -0.956 -3.315 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.480 0.616 -2.392 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.455 -0.804 -2.323 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.911 0.276 -1.261 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.371 -1.991 -0.319 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.986 -0.537 0.827 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.465 -2.835 1.738 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.771 -2.115 2.317 1.00 10.00 H new ATOM 580 N LEU A 36 7.997 -2.885 -4.466 1.00 10.00 N ATOM 581 CA LEU A 36 7.699 -4.222 -4.935 1.00 10.00 C ATOM 582 C LEU A 36 8.973 -5.069 -5.082 1.00 10.00 C ATOM 583 O LEU A 36 9.007 -6.205 -4.612 1.00 10.00 O ATOM 584 CB LEU A 36 6.954 -4.066 -6.264 1.00 10.00 C ATOM 585 CG LEU A 36 5.631 -3.295 -6.181 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.913 -3.475 -7.519 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.731 -3.762 -5.039 1.00 10.00 C ATOM 0 H LEU A 36 7.400 -2.181 -4.899 1.00 10.00 H new ATOM 0 HA LEU A 36 7.081 -4.757 -4.214 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.609 -3.558 -6.972 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.754 -5.058 -6.669 1.00 10.00 H new ATOM 0 HG LEU A 36 5.853 -2.248 -5.976 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.964 -2.939 -7.498 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.535 -3.080 -8.322 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.727 -4.535 -7.692 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.812 -3.176 -5.037 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.489 -4.816 -5.174 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.249 -3.628 -4.089 1.00 10.00 H new ATOM 599 N GLU A 37 10.024 -4.497 -5.682 1.00 10.00 N ATOM 600 CA GLU A 37 11.345 -5.111 -5.719 1.00 10.00 C ATOM 601 C GLU A 37 11.924 -5.205 -4.302 1.00 10.00 C ATOM 602 O GLU A 37 12.203 -6.287 -3.788 1.00 10.00 O ATOM 603 CB GLU A 37 12.266 -4.263 -6.612 1.00 10.00 C ATOM 604 CG GLU A 37 11.929 -4.406 -8.102 1.00 10.00 C ATOM 605 CD GLU A 37 12.495 -5.697 -8.678 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.732 -5.732 -8.859 1.00 10.00 O ATOM 607 OE2 GLU A 37 11.693 -6.623 -8.917 1.00 10.00 O ATOM 0 H GLU A 37 9.976 -3.594 -6.154 1.00 10.00 H new ATOM 0 HA GLU A 37 11.268 -6.119 -6.127 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.184 -3.215 -6.323 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.302 -4.559 -6.446 1.00 10.00 H new ATOM 0 HG2 GLU A 37 10.847 -4.390 -8.235 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.330 -3.554 -8.651 1.00 10.00 H new ATOM 614 N GLU A 38 12.114 -4.053 -3.661 1.00 10.00 N ATOM 615 CA GLU A 38 12.856 -3.881 -2.417 1.00 10.00 C ATOM 616 C GLU A 38 12.095 -4.345 -1.161 1.00 10.00 C ATOM 617 O GLU A 38 12.316 -3.818 -0.070 1.00 10.00 O ATOM 618 CB GLU A 38 13.186 -2.395 -2.288 1.00 10.00 C ATOM 619 CG GLU A 38 14.016 -1.842 -3.458 1.00 10.00 C ATOM 620 CD GLU A 38 13.992 -0.324 -3.493 1.00 10.00 C ATOM 621 OE1 GLU A 38 12.886 0.261 -3.429 1.00 10.00 O ATOM 622 OE2 GLU A 38 15.061 0.300 -3.677 1.00 10.00 O ATOM 0 H GLU A 38 11.736 -3.174 -4.013 1.00 10.00 H new ATOM 0 HA GLU A 38 13.746 -4.507 -2.470 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.256 -1.831 -2.215 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.732 -2.232 -1.358 1.00 10.00 H new ATOM 0 HG2 GLU A 38 15.046 -2.188 -3.370 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.627 -2.234 -4.398 1.00 10.00 H new ATOM 629 N HIS A 39 11.217 -5.334 -1.294 1.00 10.00 N ATOM 630 CA HIS A 39 10.328 -5.803 -0.243 1.00 10.00 C ATOM 631 C HIS A 39 10.613 -7.277 0.052 1.00 10.00 C ATOM 632 O HIS A 39 10.447 -8.102 -0.841 1.00 10.00 O ATOM 633 CB HIS A 39 8.872 -5.620 -0.690 1.00 10.00 C ATOM 634 CG HIS A 39 7.872 -6.085 0.338 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.771 -6.875 0.103 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.813 -5.670 1.640 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.053 -6.904 1.241 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.649 -6.185 2.211 1.00 10.00 N ATOM 0 H HIS A 39 11.103 -5.847 -2.168 1.00 10.00 H new ATOM 0 HA HIS A 39 10.496 -5.226 0.666 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.696 -4.567 -0.909 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.712 -6.169 -1.618 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.542 -7.350 -0.770 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.542 -5.050 2.140 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.120 -7.435 1.361 1.00 10.00 H new ATOM 646 N PRO A 40 10.981 -7.649 1.292 1.00 10.00 N ATOM 647 CA PRO A 40 11.119 -9.043 1.698 1.00 10.00 C ATOM 648 C PRO A 40 9.898 -9.905 1.348 1.00 10.00 C ATOM 649 O PRO A 40 10.049 -11.050 0.934 1.00 10.00 O ATOM 650 CB PRO A 40 11.380 -9.004 3.205 1.00 10.00 C ATOM 651 CG PRO A 40 12.100 -7.668 3.381 1.00 10.00 C ATOM 652 CD PRO A 40 11.380 -6.768 2.378 1.00 10.00 C ATOM 0 HA PRO A 40 11.935 -9.519 1.155 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.454 -9.045 3.778 1.00 10.00 H new ATOM 0 HB3 PRO A 40 11.995 -9.843 3.532 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.012 -7.291 4.400 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.165 -7.749 3.162 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.514 -6.286 2.832 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.036 -5.974 2.020 1.00 10.00 H new ATOM 660 N GLY A 41 8.684 -9.359 1.492 1.00 10.00 N ATOM 661 CA GLY A 41 7.459 -10.061 1.126 1.00 10.00 C ATOM 662 C GLY A 41 7.277 -10.226 -0.391 1.00 10.00 C ATOM 663 O GLY A 41 6.340 -10.899 -0.817 1.00 10.00 O ATOM 0 H GLY A 41 8.529 -8.422 1.864 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.461 -11.046 1.593 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.604 -9.518 1.530 1.00 10.00 H new ATOM 667 N GLY A 42 8.128 -9.601 -1.212 1.00 10.00 N ATOM 668 CA GLY A 42 8.009 -9.614 -2.663 1.00 10.00 C ATOM 669 C GLY A 42 6.815 -8.796 -3.134 1.00 10.00 C ATOM 670 O GLY A 42 6.108 -8.176 -2.332 1.00 10.00 O ATOM 0 H GLY A 42 8.929 -9.066 -0.876 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.921 -9.216 -3.107 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.907 -10.642 -3.011 1.00 10.00 H new ATOM 674 N GLU A 43 6.612 -8.786 -4.452 1.00 10.00 N ATOM 675 CA GLU A 43 5.516 -8.074 -5.072 1.00 10.00 C ATOM 676 C GLU A 43 4.213 -8.826 -4.816 1.00 10.00 C ATOM 677 O GLU A 43 3.299 -8.243 -4.248 1.00 10.00 O ATOM 678 CB GLU A 43 5.818 -7.826 -6.553 1.00 10.00 C ATOM 679 CG GLU A 43 4.605 -7.240 -7.283 1.00 10.00 C ATOM 680 CD GLU A 43 4.908 -6.904 -8.736 1.00 10.00 C ATOM 681 OE1 GLU A 43 5.973 -6.310 -8.990 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.063 -7.291 -9.575 1.00 10.00 O ATOM 0 H GLU A 43 7.212 -9.277 -5.115 1.00 10.00 H new ATOM 0 HA GLU A 43 5.395 -7.086 -4.627 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.663 -7.144 -6.644 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.112 -8.762 -7.027 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.781 -7.952 -7.242 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.274 -6.339 -6.766 1.00 10.00 H new ATOM 689 N GLU A 44 4.128 -10.101 -5.212 1.00 10.00 N ATOM 690 CA GLU A 44 2.975 -10.990 -5.066 1.00 10.00 C ATOM 691 C GLU A 44 2.040 -10.595 -3.920 1.00 10.00 C ATOM 692 O GLU A 44 0.905 -10.189 -4.161 1.00 10.00 O ATOM 693 CB GLU A 44 3.484 -12.434 -4.896 1.00 10.00 C ATOM 694 CG GLU A 44 3.747 -13.152 -6.230 1.00 10.00 C ATOM 695 CD GLU A 44 4.511 -12.317 -7.245 1.00 10.00 C ATOM 696 OE1 GLU A 44 5.509 -11.676 -6.851 1.00 10.00 O ATOM 697 OE2 GLU A 44 4.017 -12.248 -8.393 1.00 10.00 O ATOM 0 H GLU A 44 4.911 -10.566 -5.671 1.00 10.00 H new ATOM 0 HA GLU A 44 2.371 -10.905 -5.969 1.00 10.00 H new ATOM 0 HB2 GLU A 44 4.404 -12.420 -4.312 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.752 -13.004 -4.324 1.00 10.00 H new ATOM 0 HG2 GLU A 44 4.306 -14.067 -6.034 1.00 10.00 H new ATOM 0 HG3 GLU A 44 2.793 -13.449 -6.665 1.00 10.00 H new ATOM 704 N VAL A 45 2.520 -10.700 -2.679 1.00 10.00 N ATOM 705 CA VAL A 45 1.705 -10.469 -1.494 1.00 10.00 C ATOM 706 C VAL A 45 1.179 -9.024 -1.445 1.00 10.00 C ATOM 707 O VAL A 45 0.042 -8.775 -1.051 1.00 10.00 O ATOM 708 CB VAL A 45 2.511 -10.889 -0.247 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.481 -9.803 0.236 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.584 -11.326 0.891 1.00 10.00 C ATOM 0 H VAL A 45 3.487 -10.948 -2.472 1.00 10.00 H new ATOM 0 HA VAL A 45 0.807 -11.086 -1.526 1.00 10.00 H new ATOM 0 HB VAL A 45 3.118 -11.741 -0.553 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.018 -10.159 1.115 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.194 -9.574 -0.556 1.00 10.00 H new ATOM 0 HG13 VAL A 45 2.922 -8.903 0.492 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.181 -11.616 1.756 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.928 -10.499 1.164 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.982 -12.174 0.565 1.00 10.00 H new ATOM 720 N LEU A 46 1.990 -8.054 -1.881 1.00 10.00 N ATOM 721 CA LEU A 46 1.550 -6.673 -1.998 1.00 10.00 C ATOM 722 C LEU A 46 0.488 -6.572 -3.087 1.00 10.00 C ATOM 723 O LEU A 46 -0.560 -5.983 -2.858 1.00 10.00 O ATOM 724 CB LEU A 46 2.725 -5.736 -2.323 1.00 10.00 C ATOM 725 CG LEU A 46 3.805 -5.702 -1.236 1.00 10.00 C ATOM 726 CD1 LEU A 46 5.014 -4.925 -1.752 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.291 -4.996 0.017 1.00 10.00 C ATOM 0 H LEU A 46 2.959 -8.209 -2.159 1.00 10.00 H new ATOM 0 HA LEU A 46 1.131 -6.363 -1.041 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.178 -6.049 -3.263 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.342 -4.727 -2.474 1.00 10.00 H new ATOM 0 HG LEU A 46 4.075 -6.729 -0.991 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.785 -4.898 -0.982 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.408 -5.414 -2.643 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.713 -3.907 -2.000 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.074 -4.984 0.775 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.010 -3.972 -0.231 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.421 -5.527 0.403 1.00 10.00 H new ATOM 739 N ARG A 47 0.759 -7.138 -4.263 1.00 10.00 N ATOM 740 CA ARG A 47 -0.083 -7.030 -5.447 1.00 10.00 C ATOM 741 C ARG A 47 -1.474 -7.577 -5.131 1.00 10.00 C ATOM 742 O ARG A 47 -2.483 -6.968 -5.472 1.00 10.00 O ATOM 743 CB ARG A 47 0.571 -7.793 -6.611 1.00 10.00 C ATOM 744 CG ARG A 47 0.002 -7.348 -7.964 1.00 10.00 C ATOM 745 CD ARG A 47 0.338 -8.338 -9.087 1.00 10.00 C ATOM 746 NE ARG A 47 1.786 -8.600 -9.200 1.00 10.00 N ATOM 747 CZ ARG A 47 2.419 -9.778 -9.074 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.798 -10.889 -8.672 1.00 10.00 N ATOM 749 NH2 ARG A 47 3.716 -9.851 -9.348 1.00 10.00 N ATOM 0 H ARG A 47 1.596 -7.700 -4.419 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.187 -5.986 -5.742 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.648 -7.628 -6.596 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.411 -8.863 -6.482 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.080 -7.244 -7.885 1.00 10.00 H new ATOM 0 HG3 ARG A 47 0.399 -6.365 -8.218 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -0.184 -9.278 -8.906 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -0.031 -7.946 -10.034 1.00 10.00 H new ATOM 0 HE ARG A 47 2.376 -7.791 -9.397 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.804 -10.864 -8.447 1.00 10.00 H new ATOM 0 HH12 ARG A 47 2.318 -11.763 -8.590 1.00 10.00 H new ATOM 0 HH21 ARG A 47 4.221 -9.018 -9.651 1.00 10.00 H new ATOM 0 HH22 ARG A 47 4.207 -10.740 -9.256 1.00 10.00 H new ATOM 763 N GLU A 48 -1.492 -8.729 -4.463 1.00 10.00 N ATOM 764 CA GLU A 48 -2.664 -9.415 -3.952 1.00 10.00 C ATOM 765 C GLU A 48 -3.583 -8.453 -3.182 1.00 10.00 C ATOM 766 O GLU A 48 -4.771 -8.369 -3.483 1.00 10.00 O ATOM 767 CB GLU A 48 -2.142 -10.585 -3.108 1.00 10.00 C ATOM 768 CG GLU A 48 -3.215 -11.385 -2.364 1.00 10.00 C ATOM 769 CD GLU A 48 -2.604 -12.616 -1.704 1.00 10.00 C ATOM 770 OE1 GLU A 48 -1.570 -12.441 -1.022 1.00 10.00 O ATOM 771 OE2 GLU A 48 -3.168 -13.712 -1.911 1.00 10.00 O ATOM 0 H GLU A 48 -0.631 -9.235 -4.254 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.295 -9.800 -4.753 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.592 -11.264 -3.759 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.431 -10.197 -2.379 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.686 -10.757 -1.608 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.997 -11.689 -3.059 1.00 10.00 H new ATOM 778 N GLN A 49 -3.048 -7.725 -2.195 1.00 10.00 N ATOM 779 CA GLN A 49 -3.849 -6.775 -1.425 1.00 10.00 C ATOM 780 C GLN A 49 -4.066 -5.452 -2.169 1.00 10.00 C ATOM 781 O GLN A 49 -5.050 -4.762 -1.915 1.00 10.00 O ATOM 782 CB GLN A 49 -3.174 -6.455 -0.090 1.00 10.00 C ATOM 783 CG GLN A 49 -2.973 -7.641 0.859 1.00 10.00 C ATOM 784 CD GLN A 49 -4.238 -8.267 1.444 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.225 -9.443 1.791 1.00 10.00 O ATOM 786 NE2 GLN A 49 -5.317 -7.519 1.649 1.00 10.00 N ATOM 0 H GLN A 49 -2.069 -7.777 -1.914 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.814 -7.256 -1.266 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.201 -6.009 -0.295 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.769 -5.700 0.424 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.424 -8.416 0.325 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.341 -7.314 1.685 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.322 -6.541 1.358 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -6.140 -7.923 2.097 1.00 10.00 H new ATOM 795 N ALA A 50 -3.099 -5.040 -2.992 1.00 10.00 N ATOM 796 CA ALA A 50 -3.057 -3.727 -3.618 1.00 10.00 C ATOM 797 C ALA A 50 -4.312 -3.473 -4.449 1.00 10.00 C ATOM 798 O ALA A 50 -4.896 -4.381 -5.040 1.00 10.00 O ATOM 799 CB ALA A 50 -1.816 -3.588 -4.500 1.00 10.00 C ATOM 0 H ALA A 50 -2.306 -5.629 -3.245 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.012 -2.984 -2.822 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.804 -2.599 -4.958 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.921 -3.717 -3.891 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.837 -4.349 -5.280 1.00 10.00 H new ATOM 805 N GLY A 51 -4.727 -2.211 -4.491 1.00 10.00 N ATOM 806 CA GLY A 51 -6.062 -1.830 -4.878 1.00 10.00 C ATOM 807 C GLY A 51 -7.038 -2.567 -3.994 1.00 10.00 C ATOM 808 O GLY A 51 -8.009 -3.167 -4.439 1.00 10.00 O ATOM 0 H GLY A 51 -4.129 -1.420 -4.252 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.195 -0.753 -4.775 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.238 -2.074 -5.925 1.00 10.00 H new ATOM 812 N GLY A 52 -6.750 -2.457 -2.701 1.00 10.00 N ATOM 813 CA GLY A 52 -7.543 -3.000 -1.649 1.00 10.00 C ATOM 814 C GLY A 52 -6.886 -2.558 -0.356 1.00 10.00 C ATOM 815 O GLY A 52 -5.853 -1.876 -0.325 1.00 10.00 O ATOM 0 H GLY A 52 -5.922 -1.965 -2.364 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.569 -2.638 -1.708 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.584 -4.087 -1.713 1.00 10.00 H new ATOM 819 N ASP A 53 -7.551 -2.946 0.715 1.00 10.00 N ATOM 820 CA ASP A 53 -7.107 -2.738 2.076 1.00 10.00 C ATOM 821 C ASP A 53 -6.082 -3.808 2.425 1.00 10.00 C ATOM 822 O ASP A 53 -6.238 -4.968 2.041 1.00 10.00 O ATOM 823 CB ASP A 53 -8.321 -2.733 3.012 1.00 10.00 C ATOM 824 CG ASP A 53 -8.059 -2.036 4.342 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.966 -2.255 4.915 1.00 10.00 O ATOM 826 OD2 ASP A 53 -8.972 -1.285 4.761 1.00 10.00 O ATOM 0 H ASP A 53 -8.446 -3.431 0.657 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.619 -1.770 2.192 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.155 -2.241 2.511 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.627 -3.762 3.204 1.00 10.00 H new ATOM 831 N ALA A 54 -5.010 -3.410 3.103 1.00 10.00 N ATOM 832 CA ALA A 54 -4.023 -4.322 3.652 1.00 10.00 C ATOM 833 C ALA A 54 -3.698 -3.980 5.107 1.00 10.00 C ATOM 834 O ALA A 54 -2.644 -4.388 5.593 1.00 10.00 O ATOM 835 CB ALA A 54 -2.760 -4.284 2.789 1.00 10.00 C ATOM 0 H ALA A 54 -4.803 -2.428 3.287 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.435 -5.331 3.642 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.018 -4.968 3.200 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.006 -4.585 1.771 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.355 -3.272 2.781 1.00 10.00 H new ATOM 841 N THR A 55 -4.563 -3.236 5.808 1.00 10.00 N ATOM 842 CA THR A 55 -4.246 -2.777 7.155 1.00 10.00 C ATOM 843 C THR A 55 -3.973 -3.965 8.079 1.00 10.00 C ATOM 844 O THR A 55 -2.912 -4.054 8.698 1.00 10.00 O ATOM 845 CB THR A 55 -5.379 -1.904 7.721 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.743 -0.884 6.815 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.910 -1.241 9.021 1.00 10.00 C ATOM 0 H THR A 55 -5.478 -2.944 5.464 1.00 10.00 H new ATOM 0 HA THR A 55 -3.344 -2.168 7.099 1.00 10.00 H new ATOM 0 HB THR A 55 -6.240 -2.548 7.898 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.420 -1.225 6.193 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.712 -0.622 9.423 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.646 -2.010 9.747 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.038 -0.619 8.818 1.00 10.00 H new ATOM 855 N GLU A 56 -4.947 -4.876 8.164 1.00 10.00 N ATOM 856 CA GLU A 56 -4.902 -6.051 8.995 1.00 10.00 C ATOM 857 C GLU A 56 -3.656 -6.828 8.633 1.00 10.00 C ATOM 858 O GLU A 56 -2.824 -7.053 9.487 1.00 10.00 O ATOM 859 CB GLU A 56 -6.193 -6.854 8.781 1.00 10.00 C ATOM 860 CG GLU A 56 -6.506 -7.307 7.342 1.00 10.00 C ATOM 861 CD GLU A 56 -7.968 -7.713 7.191 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.531 -8.202 8.193 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.493 -7.510 6.077 1.00 10.00 O ATOM 0 H GLU A 56 -5.813 -4.799 7.631 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.848 -5.806 10.056 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.149 -7.741 9.413 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -7.029 -6.251 9.136 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -6.278 -6.499 6.647 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -5.864 -8.147 7.076 1.00 10.00 H new ATOM 870 N ASN A 57 -3.511 -7.164 7.356 1.00 10.00 N ATOM 871 CA ASN A 57 -2.402 -7.958 6.836 1.00 10.00 C ATOM 872 C ASN A 57 -1.034 -7.352 7.208 1.00 10.00 C ATOM 873 O ASN A 57 -0.123 -8.049 7.657 1.00 10.00 O ATOM 874 CB ASN A 57 -2.575 -8.134 5.318 1.00 10.00 C ATOM 875 CG ASN A 57 -1.780 -9.328 4.795 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.759 -9.692 5.362 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.228 -9.967 3.718 1.00 10.00 N ATOM 0 H ASN A 57 -4.177 -6.885 6.636 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.420 -8.943 7.302 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.631 -8.270 5.085 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.250 -7.228 4.807 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.719 -10.772 3.354 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.081 -9.652 3.256 1.00 10.00 H new ATOM 884 N PHE A 58 -0.892 -6.034 7.042 1.00 10.00 N ATOM 885 CA PHE A 58 0.314 -5.303 7.415 1.00 10.00 C ATOM 886 C PHE A 58 0.628 -5.499 8.902 1.00 10.00 C ATOM 887 O PHE A 58 1.731 -5.912 9.266 1.00 10.00 O ATOM 888 CB PHE A 58 0.130 -3.818 7.074 1.00 10.00 C ATOM 889 CG PHE A 58 1.330 -2.937 7.358 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.428 -2.947 6.479 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.310 -2.034 8.437 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.463 -2.005 6.632 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.359 -1.114 8.609 1.00 10.00 C ATOM 894 CZ PHE A 58 3.427 -1.085 7.694 1.00 10.00 C ATOM 0 H PHE A 58 -1.620 -5.442 6.641 1.00 10.00 H new ATOM 0 HA PHE A 58 1.163 -5.690 6.851 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -0.121 -3.733 6.017 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.722 -3.436 7.636 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.477 -3.678 5.686 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.486 -2.048 9.135 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.286 -1.989 5.932 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.345 -0.429 9.444 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.217 -0.358 7.807 1.00 10.00 H new ATOM 904 N GLU A 59 -0.346 -5.205 9.762 1.00 10.00 N ATOM 905 CA GLU A 59 -0.182 -5.287 11.207 1.00 10.00 C ATOM 906 C GLU A 59 0.017 -6.723 11.690 1.00 10.00 C ATOM 907 O GLU A 59 0.778 -6.978 12.620 1.00 10.00 O ATOM 908 CB GLU A 59 -1.406 -4.639 11.855 1.00 10.00 C ATOM 909 CG GLU A 59 -1.428 -3.124 11.604 1.00 10.00 C ATOM 910 CD GLU A 59 -0.257 -2.392 12.248 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.844 -2.351 11.659 1.00 10.00 O ATOM 912 OE2 GLU A 59 -0.437 -1.819 13.344 1.00 10.00 O ATOM 0 H GLU A 59 -1.275 -4.902 9.471 1.00 10.00 H new ATOM 0 HA GLU A 59 0.724 -4.755 11.499 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.314 -5.090 11.456 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.399 -4.833 12.928 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.417 -2.940 10.530 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.361 -2.712 11.988 1.00 10.00 H new ATOM 919 N ASP A 60 -0.650 -7.658 11.028 1.00 10.00 N ATOM 920 CA ASP A 60 -0.590 -9.093 11.239 1.00 10.00 C ATOM 921 C ASP A 60 0.859 -9.552 11.079 1.00 10.00 C ATOM 922 O ASP A 60 1.405 -10.255 11.926 1.00 10.00 O ATOM 923 CB ASP A 60 -1.523 -9.769 10.223 1.00 10.00 C ATOM 924 CG ASP A 60 -1.577 -11.269 10.457 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.284 -11.672 11.405 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.907 -11.982 9.680 1.00 10.00 O ATOM 0 H ASP A 60 -1.293 -7.413 10.275 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.919 -9.366 12.242 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.525 -9.347 10.305 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.174 -9.566 9.211 1.00 10.00 H new ATOM 931 N HIS A 61 1.514 -9.052 10.026 1.00 10.00 N ATOM 932 CA HIS A 61 2.937 -9.266 9.784 1.00 10.00 C ATOM 933 C HIS A 61 3.847 -8.436 10.706 1.00 10.00 C ATOM 934 O HIS A 61 5.066 -8.522 10.581 1.00 10.00 O ATOM 935 CB HIS A 61 3.236 -8.998 8.305 1.00 10.00 C ATOM 936 CG HIS A 61 2.754 -10.111 7.416 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.460 -10.316 6.997 1.00 10.00 N ATOM 938 CD2 HIS A 61 3.499 -11.183 7.007 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.433 -11.489 6.341 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.656 -12.048 6.306 1.00 10.00 N ATOM 0 H HIS A 61 1.062 -8.481 9.312 1.00 10.00 H new ATOM 0 HA HIS A 61 3.164 -10.304 10.025 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.762 -8.064 8.004 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.310 -8.868 8.171 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.668 -9.693 7.155 1.00 10.00 H new ATOM 0 HD2 HIS A 61 4.552 -11.334 7.193 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.548 -11.924 5.901 1.00 10.00 H new ATOM 948 N GLY A 62 3.294 -7.647 11.632 1.00 10.00 N ATOM 949 CA GLY A 62 4.053 -6.916 12.638 1.00 10.00 C ATOM 950 C GLY A 62 5.106 -5.995 12.025 1.00 10.00 C ATOM 951 O GLY A 62 6.236 -5.941 12.506 1.00 10.00 O ATOM 0 H GLY A 62 2.287 -7.499 11.700 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.368 -6.325 13.246 1.00 10.00 H new ATOM 0 HA3 GLY A 62 4.541 -7.626 13.306 1.00 10.00 H new ATOM 955 N HIS A 63 4.735 -5.264 10.970 1.00 10.00 N ATOM 956 CA HIS A 63 5.675 -4.434 10.231 1.00 10.00 C ATOM 957 C HIS A 63 6.356 -3.390 11.118 1.00 10.00 C ATOM 958 O HIS A 63 5.687 -2.652 11.850 1.00 10.00 O ATOM 959 CB HIS A 63 4.971 -3.772 9.054 1.00 10.00 C ATOM 960 CG HIS A 63 4.908 -4.684 7.866 1.00 10.00 C ATOM 961 ND1 HIS A 63 3.970 -5.657 7.636 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.756 -4.658 6.797 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.221 -6.178 6.423 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.300 -5.595 5.868 1.00 10.00 N ATOM 0 H HIS A 63 3.781 -5.234 10.611 1.00 10.00 H new ATOM 0 HA HIS A 63 6.465 -5.085 9.856 1.00 10.00 H new ATOM 0 HB2 HIS A 63 3.961 -3.485 9.348 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.496 -2.856 8.783 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.220 -5.934 8.269 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.625 -4.025 6.689 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.637 -6.958 5.957 1.00 10.00 H new ATOM 972 N SER A 64 7.688 -3.338 11.024 1.00 10.00 N ATOM 973 CA SER A 64 8.551 -2.602 11.928 1.00 10.00 C ATOM 974 C SER A 64 8.386 -1.091 11.781 1.00 10.00 C ATOM 975 O SER A 64 7.780 -0.591 10.831 1.00 10.00 O ATOM 976 CB SER A 64 10.015 -3.006 11.695 1.00 10.00 C ATOM 977 OG SER A 64 10.825 -2.493 12.739 1.00 10.00 O ATOM 0 H SER A 64 8.203 -3.825 10.291 1.00 10.00 H new ATOM 0 HA SER A 64 8.259 -2.858 12.946 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.101 -4.092 11.656 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.359 -2.624 10.734 1.00 10.00 H new ATOM 0 HG SER A 64 11.383 -1.766 12.393 1.00 10.00 H new ATOM 983 N THR A 65 9.000 -0.370 12.720 1.00 10.00 N ATOM 984 CA THR A 65 9.217 1.067 12.716 1.00 10.00 C ATOM 985 C THR A 65 9.720 1.544 11.362 1.00 10.00 C ATOM 986 O THR A 65 9.327 2.595 10.879 1.00 10.00 O ATOM 987 CB THR A 65 10.284 1.357 13.786 1.00 10.00 C ATOM 988 OG1 THR A 65 11.189 0.263 13.905 1.00 10.00 O ATOM 989 CG2 THR A 65 9.612 1.533 15.149 1.00 10.00 C ATOM 0 H THR A 65 9.382 -0.809 13.557 1.00 10.00 H new ATOM 0 HA THR A 65 8.282 1.587 12.921 1.00 10.00 H new ATOM 0 HB THR A 65 10.818 2.259 13.487 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.667 0.140 13.058 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.370 1.738 15.905 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.910 2.366 15.104 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.076 0.621 15.411 1.00 10.00 H new ATOM 997 N ASP A 66 10.606 0.759 10.772 1.00 10.00 N ATOM 998 CA ASP A 66 11.347 1.039 9.566 1.00 10.00 C ATOM 999 C ASP A 66 10.362 1.101 8.396 1.00 10.00 C ATOM 1000 O ASP A 66 10.286 2.086 7.661 1.00 10.00 O ATOM 1001 CB ASP A 66 12.395 -0.081 9.418 1.00 10.00 C ATOM 1002 CG ASP A 66 13.169 -0.344 10.717 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.495 -0.716 11.715 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.399 -0.145 10.700 1.00 10.00 O ATOM 0 H ASP A 66 10.839 -0.157 11.157 1.00 10.00 H new ATOM 0 HA ASP A 66 11.866 1.997 9.593 1.00 10.00 H new ATOM 0 HB2 ASP A 66 11.898 -0.999 9.104 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.098 0.187 8.629 1.00 10.00 H new ATOM 1009 N ALA A 67 9.554 0.047 8.274 1.00 10.00 N ATOM 1010 CA ALA A 67 8.505 -0.079 7.289 1.00 10.00 C ATOM 1011 C ALA A 67 7.478 1.030 7.493 1.00 10.00 C ATOM 1012 O ALA A 67 7.107 1.719 6.552 1.00 10.00 O ATOM 1013 CB ALA A 67 7.857 -1.461 7.401 1.00 10.00 C ATOM 0 H ALA A 67 9.623 -0.766 8.886 1.00 10.00 H new ATOM 0 HA ALA A 67 8.923 0.021 6.287 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.066 -1.553 6.657 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.609 -2.231 7.228 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.434 -1.585 8.398 1.00 10.00 H new ATOM 1019 N ARG A 68 7.045 1.211 8.740 1.00 10.00 N ATOM 1020 CA ARG A 68 6.200 2.308 9.195 1.00 10.00 C ATOM 1021 C ARG A 68 6.720 3.672 8.698 1.00 10.00 C ATOM 1022 O ARG A 68 5.979 4.438 8.076 1.00 10.00 O ATOM 1023 CB ARG A 68 6.113 2.190 10.730 1.00 10.00 C ATOM 1024 CG ARG A 68 4.966 1.260 11.155 1.00 10.00 C ATOM 1025 CD ARG A 68 5.170 0.748 12.591 1.00 10.00 C ATOM 1026 NE ARG A 68 3.893 0.509 13.281 1.00 10.00 N ATOM 1027 CZ ARG A 68 2.983 -0.440 13.003 1.00 10.00 C ATOM 1028 NH1 ARG A 68 3.255 -1.453 12.178 1.00 10.00 N ATOM 1029 NH2 ARG A 68 1.776 -0.346 13.566 1.00 10.00 N ATOM 0 H ARG A 68 7.286 0.566 9.493 1.00 10.00 H new ATOM 0 HA ARG A 68 5.197 2.243 8.774 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.056 1.810 11.122 1.00 10.00 H new ATOM 0 HB3 ARG A 68 5.963 3.178 11.165 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.018 1.793 11.087 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.906 0.415 10.469 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.747 -0.176 12.567 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.755 1.475 13.155 1.00 10.00 H new ATOM 0 HE ARG A 68 3.674 1.133 14.057 1.00 10.00 H new ATOM 0 HH11 ARG A 68 4.174 -1.521 11.740 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.544 -2.159 11.986 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.563 0.432 14.190 1.00 10.00 H new ATOM 0 HH22 ARG A 68 1.066 -1.053 13.372 1.00 10.00 H new ATOM 1043 N GLU A 69 7.995 3.981 8.941 1.00 10.00 N ATOM 1044 CA GLU A 69 8.651 5.201 8.477 1.00 10.00 C ATOM 1045 C GLU A 69 8.513 5.293 6.957 1.00 10.00 C ATOM 1046 O GLU A 69 8.063 6.305 6.404 1.00 10.00 O ATOM 1047 CB GLU A 69 10.124 5.200 8.934 1.00 10.00 C ATOM 1048 CG GLU A 69 10.701 6.613 9.111 1.00 10.00 C ATOM 1049 CD GLU A 69 10.037 7.372 10.252 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.646 6.744 11.263 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.787 8.588 10.095 1.00 10.00 O ATOM 0 H GLU A 69 8.613 3.374 9.479 1.00 10.00 H new ATOM 0 HA GLU A 69 8.178 6.083 8.909 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.205 4.660 9.877 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.724 4.658 8.204 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.772 6.544 9.299 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.575 7.173 8.184 1.00 10.00 H new ATOM 1058 N LEU A 70 8.843 4.188 6.285 1.00 10.00 N ATOM 1059 CA LEU A 70 8.664 4.076 4.851 1.00 10.00 C ATOM 1060 C LEU A 70 7.236 4.448 4.429 1.00 10.00 C ATOM 1061 O LEU A 70 7.048 5.207 3.480 1.00 10.00 O ATOM 1062 CB LEU A 70 9.082 2.679 4.348 1.00 10.00 C ATOM 1063 CG LEU A 70 10.386 2.661 3.534 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.472 3.822 2.535 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.602 2.676 4.467 1.00 10.00 C ATOM 0 H LEU A 70 9.238 3.356 6.723 1.00 10.00 H new ATOM 0 HA LEU A 70 9.325 4.799 4.372 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.194 2.016 5.206 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.279 2.272 3.734 1.00 10.00 H new ATOM 0 HG LEU A 70 10.385 1.737 2.956 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.412 3.761 1.987 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.639 3.762 1.835 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.426 4.769 3.073 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.516 2.663 3.874 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.580 3.578 5.079 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.576 1.798 5.113 1.00 10.00 H new ATOM 1077 N SER A 71 6.219 3.984 5.158 1.00 10.00 N ATOM 1078 CA SER A 71 4.839 4.320 4.866 1.00 10.00 C ATOM 1079 C SER A 71 4.656 5.833 4.883 1.00 10.00 C ATOM 1080 O SER A 71 4.024 6.371 3.980 1.00 10.00 O ATOM 1081 CB SER A 71 3.886 3.611 5.837 1.00 10.00 C ATOM 1082 OG SER A 71 4.214 2.239 5.934 1.00 10.00 O ATOM 0 H SER A 71 6.336 3.368 5.962 1.00 10.00 H new ATOM 0 HA SER A 71 4.590 3.966 3.866 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.946 4.076 6.821 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.857 3.722 5.494 1.00 10.00 H new ATOM 0 HG SER A 71 3.599 1.799 6.558 1.00 10.00 H new ATOM 1088 N LYS A 72 5.231 6.529 5.871 1.00 10.00 N ATOM 1089 CA LYS A 72 5.118 7.986 5.923 1.00 10.00 C ATOM 1090 C LYS A 72 5.556 8.580 4.592 1.00 10.00 C ATOM 1091 O LYS A 72 4.801 9.312 3.959 1.00 10.00 O ATOM 1092 CB LYS A 72 5.963 8.589 7.049 1.00 10.00 C ATOM 1093 CG LYS A 72 5.745 7.882 8.384 1.00 10.00 C ATOM 1094 CD LYS A 72 6.542 8.636 9.456 1.00 10.00 C ATOM 1095 CE LYS A 72 6.595 7.883 10.793 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.710 8.365 11.632 1.00 10.00 N ATOM 0 H LYS A 72 5.769 6.114 6.631 1.00 10.00 H new ATOM 0 HA LYS A 72 4.074 8.228 6.122 1.00 10.00 H new ATOM 0 HB2 LYS A 72 7.017 8.532 6.779 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.719 9.646 7.157 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.685 7.866 8.638 1.00 10.00 H new ATOM 0 HG3 LYS A 72 6.074 6.845 8.324 1.00 10.00 H new ATOM 0 HD2 LYS A 72 7.558 8.803 9.097 1.00 10.00 H new ATOM 0 HD3 LYS A 72 6.094 9.617 9.614 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.653 8.014 11.325 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.711 6.815 10.608 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 8.255 7.553 11.986 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 8.331 8.978 11.066 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 7.331 8.904 12.437 1.00 10.00 H new ATOM 1110 N THR A 73 6.770 8.240 4.156 1.00 10.00 N ATOM 1111 CA THR A 73 7.265 8.797 2.896 1.00 10.00 C ATOM 1112 C THR A 73 6.410 8.335 1.701 1.00 10.00 C ATOM 1113 O THR A 73 6.213 9.098 0.758 1.00 10.00 O ATOM 1114 CB THR A 73 8.790 8.638 2.731 1.00 10.00 C ATOM 1115 OG1 THR A 73 9.278 9.543 1.762 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.260 7.244 2.329 1.00 10.00 C ATOM 0 H THR A 73 7.409 7.605 4.636 1.00 10.00 H new ATOM 0 HA THR A 73 7.133 9.879 2.926 1.00 10.00 H new ATOM 0 HB THR A 73 9.186 8.839 3.726 1.00 10.00 H new ATOM 0 HG1 THR A 73 10.247 9.432 1.669 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.346 7.238 2.239 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.955 6.524 3.088 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.816 6.972 1.372 1.00 10.00 H new ATOM 1124 N PHE A 74 5.849 7.119 1.749 1.00 10.00 N ATOM 1125 CA PHE A 74 4.940 6.626 0.717 1.00 10.00 C ATOM 1126 C PHE A 74 3.534 7.248 0.769 1.00 10.00 C ATOM 1127 O PHE A 74 2.728 6.929 -0.105 1.00 10.00 O ATOM 1128 CB PHE A 74 4.763 5.105 0.824 1.00 10.00 C ATOM 1129 CG PHE A 74 5.974 4.197 0.788 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.151 4.546 0.099 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.831 2.895 1.301 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.205 3.620 -0.003 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.846 1.946 1.113 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.071 2.337 0.558 1.00 10.00 C ATOM 0 H PHE A 74 6.015 6.454 2.505 1.00 10.00 H new ATOM 0 HA PHE A 74 5.412 6.915 -0.222 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.236 4.905 1.757 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.103 4.798 0.013 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.245 5.523 -0.351 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.936 2.625 1.842 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.117 3.894 -0.512 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.684 0.916 1.395 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.909 1.656 0.561 1.00 10.00 H new ATOM 1144 N ILE A 75 3.179 8.061 1.776 1.00 10.00 N ATOM 1145 CA ILE A 75 1.866 8.723 1.765 1.00 10.00 C ATOM 1146 C ILE A 75 1.640 9.466 0.443 1.00 10.00 C ATOM 1147 O ILE A 75 2.466 10.281 0.035 1.00 10.00 O ATOM 1148 CB ILE A 75 1.667 9.680 2.966 1.00 10.00 C ATOM 1149 CG1 ILE A 75 1.218 8.944 4.234 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.673 10.824 2.687 1.00 10.00 C ATOM 1151 CD1 ILE A 75 -0.183 8.326 4.181 1.00 10.00 C ATOM 0 H ILE A 75 3.763 8.272 2.585 1.00 10.00 H new ATOM 0 HA ILE A 75 1.120 7.934 1.861 1.00 10.00 H new ATOM 0 HB ILE A 75 2.654 10.114 3.124 1.00 10.00 H new ATOM 0 HG12 ILE A 75 1.937 8.153 4.447 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.256 9.642 5.070 1.00 10.00 H new ATOM 0 HG21 ILE A 75 0.584 11.453 3.573 1.00 10.00 H new ATOM 0 HG22 ILE A 75 1.033 11.423 1.851 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.303 10.406 2.440 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -0.398 7.831 5.128 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.920 9.110 4.005 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.229 7.597 3.372 1.00 10.00 H new ATOM 1163 N ILE A 76 0.494 9.211 -0.195 1.00 10.00 N ATOM 1164 CA ILE A 76 0.080 9.878 -1.427 1.00 10.00 C ATOM 1165 C ILE A 76 -1.332 10.465 -1.340 1.00 10.00 C ATOM 1166 O ILE A 76 -1.726 11.229 -2.224 1.00 10.00 O ATOM 1167 CB ILE A 76 0.138 8.883 -2.598 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.565 7.560 -2.239 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.587 8.636 -3.040 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.180 6.886 -3.465 1.00 10.00 C ATOM 0 H ILE A 76 -0.182 8.523 0.138 1.00 10.00 H new ATOM 0 HA ILE A 76 0.771 10.706 -1.586 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.397 9.326 -3.438 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.152 6.883 -1.775 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.345 7.752 -1.502 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.599 7.929 -3.869 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.035 9.577 -3.359 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.157 8.227 -2.206 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.665 5.957 -3.165 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.917 7.551 -3.914 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.397 6.668 -4.192 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.128 10.074 -0.347 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.577 10.087 -0.466 1.00 10.00 C ATOM 1184 C GLY A 77 -4.148 9.348 0.722 1.00 10.00 C ATOM 1185 O GLY A 77 -3.407 8.755 1.513 1.00 10.00 O ATOM 0 H GLY A 77 -1.786 9.742 0.555 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.948 11.111 -0.492 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.888 9.611 -1.396 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.476 9.345 0.800 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.202 8.711 1.869 1.00 10.00 C ATOM 1191 C GLU A 78 -7.404 7.989 1.288 1.00 10.00 C ATOM 1192 O GLU A 78 -7.853 8.316 0.197 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.669 9.769 2.873 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.542 10.667 3.419 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.106 11.778 2.468 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -5.994 12.527 2.009 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -3.891 11.871 2.201 1.00 10.00 O ATOM 0 H GLU A 78 -6.076 9.792 0.107 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.557 7.997 2.381 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.420 10.399 2.396 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.156 9.269 3.710 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.873 11.116 4.356 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.678 10.044 3.652 1.00 10.00 H new ATOM 1204 N LEU A 79 -7.915 7.026 2.044 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.042 6.183 1.694 1.00 10.00 C ATOM 1206 C LEU A 79 -10.333 6.981 1.786 1.00 10.00 C ATOM 1207 O LEU A 79 -10.733 7.407 2.865 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.079 5.043 2.701 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.040 3.914 2.340 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -10.554 3.315 3.631 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.346 4.294 1.665 1.00 10.00 C ATOM 0 H LEU A 79 -7.533 6.804 2.963 1.00 10.00 H new ATOM 0 HA LEU A 79 -8.940 5.806 0.676 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.075 4.631 2.802 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.358 5.444 3.675 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.446 3.295 1.668 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -11.245 2.503 3.405 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -9.716 2.928 4.211 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -11.071 4.082 4.208 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.928 3.394 1.467 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.913 4.957 2.318 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.135 4.804 0.725 1.00 10.00 H new ATOM 1223 N HIS A 80 -10.999 7.170 0.654 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.121 8.074 0.573 1.00 10.00 C ATOM 1225 C HIS A 80 -13.342 7.571 1.343 1.00 10.00 C ATOM 1226 O HIS A 80 -13.888 6.538 0.980 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.505 8.341 -0.878 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.515 9.447 -0.967 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -14.885 9.314 -1.003 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.237 10.729 -0.599 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.412 10.507 -0.668 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.444 11.401 -0.406 1.00 10.00 N ATOM 0 H HIS A 80 -10.773 6.701 -0.223 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.796 9.004 1.040 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -11.617 8.607 -1.451 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -12.912 7.434 -1.324 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.251 11.152 -0.478 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.470 10.717 -0.617 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.567 12.373 -0.123 1.00 10.00 H new ATOM 1240 N PRO A 81 -13.844 8.304 2.343 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.836 7.788 3.271 1.00 10.00 C ATOM 1242 C PRO A 81 -16.187 7.343 2.764 1.00 10.00 C ATOM 1243 O PRO A 81 -16.957 6.744 3.510 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.169 8.986 4.150 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.918 9.857 4.173 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.286 9.561 2.822 1.00 10.00 C ATOM 0 HA PRO A 81 -14.380 6.891 3.691 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -16.020 9.537 3.750 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.440 8.667 5.156 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -14.161 10.914 4.284 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.255 9.594 4.997 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -13.494 10.366 2.117 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.202 9.489 2.913 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.503 7.660 1.519 1.00 10.00 N ATOM 1255 CA ASP A 82 -17.660 7.054 0.886 1.00 10.00 C ATOM 1256 C ASP A 82 -17.566 5.523 1.017 1.00 10.00 C ATOM 1257 O ASP A 82 -18.570 4.819 1.088 1.00 10.00 O ATOM 1258 CB ASP A 82 -17.723 7.503 -0.577 1.00 10.00 C ATOM 1259 CG ASP A 82 -18.984 6.998 -1.262 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.064 7.507 -0.896 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -18.830 6.154 -2.169 1.00 10.00 O ATOM 0 H ASP A 82 -15.986 8.320 0.938 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.580 7.374 1.375 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -17.692 8.591 -0.626 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -16.846 7.135 -1.110 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.323 5.037 1.102 1.00 10.00 N ATOM 1267 CA ASP A 83 -15.936 3.677 1.367 1.00 10.00 C ATOM 1268 C ASP A 83 -16.271 3.218 2.788 1.00 10.00 C ATOM 1269 O ASP A 83 -17.117 2.344 2.980 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.425 3.642 1.174 1.00 10.00 C ATOM 1271 CG ASP A 83 -13.965 2.199 0.989 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.315 1.350 1.836 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -13.208 1.929 0.039 1.00 10.00 O ATOM 0 H ASP A 83 -15.512 5.642 0.975 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.479 3.006 0.701 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.146 4.237 0.305 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -13.928 4.085 2.037 1.00 10.00 H new ATOM 1278 N ARG A 84 -15.549 3.760 3.779 1.00 10.00 N ATOM 1279 CA ARG A 84 -15.610 3.329 5.158 1.00 10.00 C ATOM 1280 C ARG A 84 -15.261 4.465 6.103 1.00 10.00 C ATOM 1281 O ARG A 84 -15.357 4.254 7.330 1.00 10.00 O ATOM 1282 CB ARG A 84 -14.793 2.057 5.414 1.00 10.00 C ATOM 1283 CG ARG A 84 -13.275 2.271 5.405 1.00 10.00 C ATOM 1284 CD ARG A 84 -12.516 0.954 5.158 1.00 10.00 C ATOM 1285 NE ARG A 84 -12.777 0.504 3.788 1.00 10.00 N ATOM 1286 CZ ARG A 84 -12.251 -0.518 3.101 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -11.295 -1.310 3.599 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -12.723 -0.734 1.871 1.00 10.00 N ATOM 1289 OXT ARG A 84 -14.870 5.531 5.582 1.00 10.00 O ATOM 0 H ARG A 84 -14.895 4.528 3.627 1.00 10.00 H new ATOM 0 HA ARG A 84 -16.643 3.051 5.369 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.084 1.640 6.378 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.048 1.316 4.656 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.014 2.992 4.631 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -12.962 2.698 6.358 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -11.447 1.102 5.309 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.837 0.195 5.871 1.00 10.00 H new ATOM 0 HE ARG A 84 -13.467 1.055 3.278 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -10.937 -1.147 4.540 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.925 -2.077 3.038 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -13.454 -0.132 1.492 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -12.353 -1.501 1.310 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.039 -5.842 4.066 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.421 -7.970 5.436 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.249 -3.167 4.398 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.523 -3.650 3.170 1.00 10.00 C HETATM 1308 CHD HEM A 201 3.914 -8.553 3.569 1.00 10.00 C HETATM 1309 NA HEM A 201 7.983 -5.611 4.777 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.734 -6.610 5.329 1.00 10.00 C HETATM 1311 C2A HEM A 201 9.928 -5.997 5.864 1.00 10.00 C HETATM 1312 C3A HEM A 201 9.945 -4.689 5.438 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.666 -4.425 4.828 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.050 -3.684 5.669 1.00 10.00 C HETATM 1315 CAA HEM A 201 10.823 -6.588 6.932 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.188 -6.469 8.326 1.00 10.00 C HETATM 1317 CGA HEM A 201 9.986 -5.012 8.737 1.00 10.00 C HETATM 1318 O1A HEM A 201 8.813 -4.603 8.882 1.00 10.00 O HETATM 1319 O2A HEM A 201 11.013 -4.322 8.912 1.00 10.00 O HETATM 1320 NB HEM A 201 5.931 -3.805 3.755 1.00 10.00 N HETATM 1321 C1B HEM A 201 6.965 -2.916 3.919 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.485 -1.604 3.547 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.158 -1.757 3.228 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.799 -3.142 3.378 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.265 -0.319 3.638 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.284 -0.742 2.521 1.00 10.00 C HETATM 1327 CBB HEM A 201 3.796 0.328 3.182 1.00 10.00 C HETATM 1328 NC HEM A 201 4.080 -6.056 3.476 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.223 -5.008 3.233 1.00 10.00 C HETATM 1330 C2C HEM A 201 1.903 -5.562 3.049 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.060 -6.925 3.062 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.423 -7.255 3.374 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.603 -4.813 2.906 1.00 10.00 C HETATM 1334 CAC HEM A 201 0.928 -7.920 3.041 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.173 -8.059 1.933 1.00 10.00 C HETATM 1336 ND HEM A 201 6.167 -7.908 4.389 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.198 -8.815 4.057 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.730 -10.130 4.336 1.00 10.00 C HETATM 1339 C3D HEM A 201 6.986 -9.956 4.871 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.246 -8.537 4.927 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.060 -11.460 4.078 1.00 10.00 C HETATM 1342 CAD HEM A 201 7.973 -11.043 5.224 1.00 10.00 C HETATM 1343 CBD HEM A 201 8.136 -11.245 6.734 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.478 -11.905 7.015 1.00 10.00 C HETATM 1345 O1D HEM A 201 9.467 -13.105 7.361 1.00 10.00 O HETATM 1346 O2D HEM A 201 10.491 -11.192 6.850 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.011 -2.916 4.896 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.015 -4.189 5.631 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 10.922 -3.221 6.647 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 7.978 -0.384 4.460 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.580 0.510 3.816 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 7.802 -0.152 2.704 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -0.082 -5.389 2.284 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 0.790 -3.845 2.440 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.160 -4.662 3.890 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 3.979 -11.344 4.154 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.399 -12.187 4.816 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.318 -11.810 3.078 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.168 1.051 2.661 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.030 0.470 4.237 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.646 -8.779 1.918 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 0.381 -7.452 1.052 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 10.823 -6.968 9.058 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.228 -6.985 8.333 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 11.786 -6.078 6.925 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.016 -7.637 6.707 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 7.326 -11.865 7.118 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 8.075 -10.286 7.249 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 8.943 -10.799 4.790 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.648 -11.980 4.772 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.124 -8.618 5.939 1.00 10.00 H new HETATM 0 HHB HEM A 201 8.953 -2.349 4.438 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.724 -2.957 2.949 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.272 -9.388 3.332 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.047 -0.878 1.466 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.720 -8.527 3.922 1.00 10.00 H new