USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 980 hydrogens (31 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 46 HIS HE2 : A 46 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 117 HIS HE2 : A 117 HIS NE2 : A 125 HEB CAB :(H bumps) USER MOD NoAdj-H: A 125 HEBHAB2 : A 125 HEB CAB : A 117 HIS NE2 :(H bumps) USER MOD NoAdj-H: A 125 HEB H2D : A 125 HEB O2D : A 125 HEB CGD :(short bond) USER MOD NoAdj-H: A 125 HEB H2A : A 125 HEB O2A : A 125 HEB CGA :(short bond) USER MOD Set 1.1: A 80 THR OG1 : rot -22:sc= -2.01! USER MOD Set 1.2: A 83 HIS : no HD1:sc= 1.24 K(o=-0.78,f=-7.6!) USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 66 MET CE :methyl 174:sc= -0.319 (180deg=-0.387) USER MOD Set 3.1: A 24 LYS NZ :NH3+ -178:sc= -0.624 (180deg=-1.62) USER MOD Set 3.2: A 94 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= -0.536 (180deg=-1.07!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.2!) USER MOD Single : A 37 ASN : amide:sc=-0.00903 K(o=-0.009,f=-1.7!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= -5.17! (180deg=-6.17!) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 47 GLN : amide:sc= -9.98! C(o=-10!,f=-16!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 76 ASN : amide:sc=-0.000693 K(o=-0.00069,f=-1.6!) USER MOD Single : A 90 ASN : amide:sc= -0.0165 K(o=-0.016,f=-1.6!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 99 ASN : amide:sc= -0.0938 K(o=-0.094,f=-2.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.63) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 97:sc= 0.174 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 119 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1.7!) USER MOD Single : A 123 ASN : amide:sc= -2.68 X(o=-2.7,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -12.110 8.173 -0.841 1.00 0.00 N ATOM 2 CA ALA A 2 -13.132 7.221 -0.322 1.00 0.00 C ATOM 3 C ALA A 2 -12.438 5.969 0.204 1.00 0.00 C ATOM 4 O ALA A 2 -11.212 5.927 0.312 1.00 0.00 O ATOM 5 CB ALA A 2 -14.097 6.849 -1.450 1.00 0.00 C ATOM 0 HA ALA A 2 -13.691 7.687 0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.846 6.152 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.591 7.748 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.543 6.381 -2.263 1.00 0.00 H new ATOM 13 N SER A 3 -13.230 4.953 0.530 1.00 0.00 N ATOM 14 CA SER A 3 -12.680 3.705 1.046 1.00 0.00 C ATOM 15 C SER A 3 -13.039 2.541 0.128 1.00 0.00 C ATOM 16 O SER A 3 -14.119 2.514 -0.463 1.00 0.00 O ATOM 17 CB SER A 3 -13.222 3.435 2.450 1.00 0.00 C ATOM 18 OG SER A 3 -12.584 2.284 2.986 1.00 0.00 O ATOM 0 H SER A 3 -14.247 4.968 0.447 1.00 0.00 H new ATOM 0 HA SER A 3 -11.595 3.799 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.043 4.297 3.093 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.301 3.283 2.413 1.00 0.00 H new ATOM 0 HG SER A 3 -12.928 2.109 3.887 1.00 0.00 H new ATOM 24 N LEU A 4 -12.127 1.581 0.012 1.00 0.00 N ATOM 25 CA LEU A 4 -12.359 0.419 -0.838 1.00 0.00 C ATOM 26 C LEU A 4 -13.660 -0.273 -0.446 1.00 0.00 C ATOM 27 O LEU A 4 -14.395 -0.766 -1.302 1.00 0.00 O ATOM 28 CB LEU A 4 -11.193 -0.564 -0.704 1.00 0.00 C ATOM 29 CG LEU A 4 -11.376 -1.720 -1.693 1.00 0.00 C ATOM 30 CD1 LEU A 4 -11.207 -1.208 -3.126 1.00 0.00 C ATOM 31 CD2 LEU A 4 -10.324 -2.796 -1.413 1.00 0.00 C ATOM 0 H LEU A 4 -11.227 1.584 0.492 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.434 0.753 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.250 -0.053 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.144 -0.949 0.315 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.375 -2.140 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.338 -2.034 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.953 -0.439 -3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.209 -0.786 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.451 -3.620 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.328 -2.370 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.443 -3.165 -0.394 1.00 0.00 H new ATOM 43 N TYR A 5 -13.937 -0.305 0.853 1.00 0.00 N ATOM 44 CA TYR A 5 -15.153 -0.938 1.351 1.00 0.00 C ATOM 45 C TYR A 5 -16.389 -0.332 0.697 1.00 0.00 C ATOM 46 O TYR A 5 -17.307 -1.048 0.300 1.00 0.00 O ATOM 47 CB TYR A 5 -15.243 -0.760 2.867 1.00 0.00 C ATOM 48 CG TYR A 5 -16.527 -1.373 3.373 1.00 0.00 C ATOM 49 CD1 TYR A 5 -16.582 -2.738 3.676 1.00 0.00 C ATOM 50 CD2 TYR A 5 -17.663 -0.572 3.538 1.00 0.00 C ATOM 51 CE1 TYR A 5 -17.775 -3.302 4.144 1.00 0.00 C ATOM 52 CE2 TYR A 5 -18.855 -1.137 4.007 1.00 0.00 C ATOM 53 CZ TYR A 5 -18.911 -2.502 4.310 1.00 0.00 C ATOM 54 OH TYR A 5 -20.087 -3.058 4.770 1.00 0.00 O ATOM 0 H TYR A 5 -13.340 0.097 1.576 1.00 0.00 H new ATOM 0 HA TYR A 5 -15.113 -1.999 1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -14.388 -1.232 3.350 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -15.209 0.299 3.122 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -15.705 -3.356 3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -17.620 0.481 3.304 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -17.818 -4.356 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -19.732 -0.519 4.135 1.00 0.00 H new ATOM 0 HH TYR A 5 -20.776 -2.364 4.828 1.00 0.00 H new ATOM 64 N GLU A 6 -16.409 0.992 0.589 1.00 0.00 N ATOM 65 CA GLU A 6 -17.542 1.681 -0.017 1.00 0.00 C ATOM 66 C GLU A 6 -17.662 1.335 -1.498 1.00 0.00 C ATOM 67 O GLU A 6 -18.766 1.217 -2.029 1.00 0.00 O ATOM 68 CB GLU A 6 -17.377 3.194 0.142 1.00 0.00 C ATOM 69 CG GLU A 6 -17.418 3.559 1.626 1.00 0.00 C ATOM 70 CD GLU A 6 -17.324 5.071 1.794 1.00 0.00 C ATOM 71 OE1 GLU A 6 -17.071 5.743 0.806 1.00 0.00 O ATOM 72 OE2 GLU A 6 -17.506 5.538 2.907 1.00 0.00 O ATOM 0 H GLU A 6 -15.660 1.605 0.910 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.450 1.355 0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.432 3.515 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.171 3.715 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.341 3.192 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.595 3.075 2.151 1.00 0.00 H new ATOM 79 N LYS A 7 -16.521 1.183 -2.163 1.00 0.00 N ATOM 80 CA LYS A 7 -16.518 0.862 -3.586 1.00 0.00 C ATOM 81 C LYS A 7 -17.179 -0.488 -3.848 1.00 0.00 C ATOM 82 O LYS A 7 -18.085 -0.594 -4.676 1.00 0.00 O ATOM 83 CB LYS A 7 -15.081 0.838 -4.108 1.00 0.00 C ATOM 84 CG LYS A 7 -14.471 2.235 -3.984 1.00 0.00 C ATOM 85 CD LYS A 7 -13.073 2.240 -4.606 1.00 0.00 C ATOM 86 CE LYS A 7 -12.410 3.596 -4.356 1.00 0.00 C ATOM 87 NZ LYS A 7 -11.834 4.109 -5.631 1.00 0.00 N ATOM 0 H LYS A 7 -15.595 1.276 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 7 -17.088 1.631 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.489 0.119 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.066 0.514 -5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -15.106 2.966 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.415 2.527 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.468 1.442 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.139 2.047 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.141 4.303 -3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.627 3.497 -3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.383 5.031 -5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.125 3.437 -5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.592 4.218 -6.335 1.00 0.00 H new ATOM 101 N LEU A 8 -16.725 -1.518 -3.140 1.00 0.00 N ATOM 102 CA LEU A 8 -17.288 -2.854 -3.314 1.00 0.00 C ATOM 103 C LEU A 8 -18.701 -2.922 -2.744 1.00 0.00 C ATOM 104 O LEU A 8 -19.580 -3.569 -3.315 1.00 0.00 O ATOM 105 CB LEU A 8 -16.399 -3.894 -2.623 1.00 0.00 C ATOM 106 CG LEU A 8 -14.979 -3.822 -3.197 1.00 0.00 C ATOM 107 CD1 LEU A 8 -14.118 -4.921 -2.571 1.00 0.00 C ATOM 108 CD2 LEU A 8 -15.025 -4.022 -4.714 1.00 0.00 C ATOM 0 H LEU A 8 -15.978 -1.456 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 8 -17.332 -3.071 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.377 -3.712 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.810 -4.893 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.550 -2.846 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.109 -4.869 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.080 -4.782 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.551 -5.895 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.014 -3.970 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.457 -4.997 -4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.637 -3.241 -5.166 1.00 0.00 H new ATOM 120 N GLY A 9 -18.916 -2.246 -1.621 1.00 0.00 N ATOM 121 CA GLY A 9 -20.231 -2.233 -0.989 1.00 0.00 C ATOM 122 C GLY A 9 -20.521 -3.554 -0.281 1.00 0.00 C ATOM 123 O GLY A 9 -21.679 -3.939 -0.122 1.00 0.00 O ATOM 0 H GLY A 9 -18.203 -1.704 -1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.283 -1.414 -0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -20.997 -2.046 -1.742 1.00 0.00 H new ATOM 127 N GLY A 10 -19.468 -4.244 0.144 1.00 0.00 N ATOM 128 CA GLY A 10 -19.635 -5.520 0.833 1.00 0.00 C ATOM 129 C GLY A 10 -18.335 -5.963 1.497 1.00 0.00 C ATOM 130 O GLY A 10 -17.293 -6.043 0.849 1.00 0.00 O ATOM 0 H GLY A 10 -18.500 -3.946 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.418 -5.430 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -19.961 -6.280 0.123 1.00 0.00 H new ATOM 134 N ALA A 11 -18.406 -6.248 2.795 1.00 0.00 N ATOM 135 CA ALA A 11 -17.228 -6.682 3.537 1.00 0.00 C ATOM 136 C ALA A 11 -16.733 -8.028 3.021 1.00 0.00 C ATOM 137 O ALA A 11 -15.529 -8.250 2.895 1.00 0.00 O ATOM 138 CB ALA A 11 -17.564 -6.801 5.025 1.00 0.00 C ATOM 0 H ALA A 11 -19.260 -6.187 3.350 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.442 -5.940 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -16.679 -7.126 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.890 -5.832 5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.363 -7.530 5.160 1.00 0.00 H new ATOM 144 N ALA A 12 -17.668 -8.924 2.723 1.00 0.00 N ATOM 145 CA ALA A 12 -17.312 -10.246 2.222 1.00 0.00 C ATOM 146 C ALA A 12 -16.629 -10.137 0.864 1.00 0.00 C ATOM 147 O ALA A 12 -15.693 -10.880 0.568 1.00 0.00 O ATOM 148 CB ALA A 12 -18.566 -11.113 2.097 1.00 0.00 C ATOM 0 H ALA A 12 -18.670 -8.761 2.819 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.621 -10.708 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -18.291 -12.099 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.037 -11.215 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.265 -10.644 1.405 1.00 0.00 H new ATOM 154 N ALA A 13 -17.103 -9.207 0.043 1.00 0.00 N ATOM 155 CA ALA A 13 -16.529 -9.009 -1.282 1.00 0.00 C ATOM 156 C ALA A 13 -15.084 -8.533 -1.174 1.00 0.00 C ATOM 157 O ALA A 13 -14.233 -8.917 -1.976 1.00 0.00 O ATOM 158 CB ALA A 13 -17.352 -7.980 -2.059 1.00 0.00 C ATOM 0 H ALA A 13 -17.877 -8.583 0.269 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.546 -9.962 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.917 -7.838 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.377 -8.336 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.350 -7.032 -1.522 1.00 0.00 H new ATOM 164 N VAL A 14 -14.814 -7.693 -0.180 1.00 0.00 N ATOM 165 CA VAL A 14 -13.468 -7.172 0.019 1.00 0.00 C ATOM 166 C VAL A 14 -12.499 -8.303 0.346 1.00 0.00 C ATOM 167 O VAL A 14 -11.414 -8.392 -0.229 1.00 0.00 O ATOM 168 CB VAL A 14 -13.465 -6.157 1.164 1.00 0.00 C ATOM 169 CG1 VAL A 14 -12.035 -5.674 1.413 1.00 0.00 C ATOM 170 CG2 VAL A 14 -14.350 -4.964 0.794 1.00 0.00 C ATOM 0 H VAL A 14 -15.503 -7.361 0.495 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.149 -6.686 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.852 -6.628 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.032 -4.951 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.405 -6.523 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.647 -5.203 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.347 -4.242 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.965 -4.492 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.369 -5.308 0.618 1.00 0.00 H new ATOM 180 N ASP A 15 -12.899 -9.165 1.275 1.00 0.00 N ATOM 181 CA ASP A 15 -12.061 -10.290 1.675 1.00 0.00 C ATOM 182 C ASP A 15 -11.860 -11.261 0.516 1.00 0.00 C ATOM 183 O ASP A 15 -10.775 -11.814 0.340 1.00 0.00 O ATOM 184 CB ASP A 15 -12.705 -11.026 2.852 1.00 0.00 C ATOM 185 CG ASP A 15 -12.720 -10.127 4.083 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.049 -9.108 4.058 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.405 -10.470 5.034 1.00 0.00 O ATOM 0 H ASP A 15 -13.793 -9.107 1.763 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.088 -9.900 1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.722 -11.321 2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.152 -11.941 3.066 1.00 0.00 H new ATOM 192 N LEU A 16 -12.914 -11.471 -0.267 1.00 0.00 N ATOM 193 CA LEU A 16 -12.839 -12.388 -1.400 1.00 0.00 C ATOM 194 C LEU A 16 -11.722 -11.978 -2.353 1.00 0.00 C ATOM 195 O LEU A 16 -10.985 -12.823 -2.859 1.00 0.00 O ATOM 196 CB LEU A 16 -14.177 -12.396 -2.147 1.00 0.00 C ATOM 197 CG LEU A 16 -14.162 -13.480 -3.232 1.00 0.00 C ATOM 198 CD1 LEU A 16 -14.300 -14.866 -2.593 1.00 0.00 C ATOM 199 CD2 LEU A 16 -15.328 -13.246 -4.194 1.00 0.00 C ATOM 0 H LEU A 16 -13.822 -11.024 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.624 -13.388 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.993 -12.580 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.358 -11.420 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.218 -13.431 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.288 -15.629 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.470 -15.035 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.240 -14.922 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.322 -14.014 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -16.268 -13.292 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.226 -12.264 -4.657 1.00 0.00 H new ATOM 211 N ALA A 17 -11.601 -10.677 -2.596 1.00 0.00 N ATOM 212 CA ALA A 17 -10.567 -10.174 -3.492 1.00 0.00 C ATOM 213 C ALA A 17 -9.181 -10.375 -2.887 1.00 0.00 C ATOM 214 O ALA A 17 -8.219 -10.668 -3.596 1.00 0.00 O ATOM 215 CB ALA A 17 -10.795 -8.686 -3.768 1.00 0.00 C ATOM 0 H ALA A 17 -12.200 -9.958 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.623 -10.731 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.019 -8.317 -4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.771 -8.548 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.758 -8.132 -2.830 1.00 0.00 H new ATOM 221 N VAL A 18 -9.087 -10.209 -1.571 1.00 0.00 N ATOM 222 CA VAL A 18 -7.813 -10.367 -0.879 1.00 0.00 C ATOM 223 C VAL A 18 -7.312 -11.805 -0.974 1.00 0.00 C ATOM 224 O VAL A 18 -6.118 -12.043 -1.164 1.00 0.00 O ATOM 225 CB VAL A 18 -7.968 -9.979 0.592 1.00 0.00 C ATOM 226 CG1 VAL A 18 -6.683 -10.314 1.349 1.00 0.00 C ATOM 227 CG2 VAL A 18 -8.241 -8.476 0.695 1.00 0.00 C ATOM 0 H VAL A 18 -9.872 -9.967 -0.966 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.084 -9.713 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.800 -10.533 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.795 -10.037 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.486 -11.384 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.850 -9.761 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.352 -8.197 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.408 -7.924 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.158 -8.235 0.157 1.00 0.00 H new ATOM 237 N GLU A 19 -8.224 -12.762 -0.834 1.00 0.00 N ATOM 238 CA GLU A 19 -7.849 -14.170 -0.898 1.00 0.00 C ATOM 239 C GLU A 19 -7.275 -14.521 -2.267 1.00 0.00 C ATOM 240 O GLU A 19 -6.313 -15.282 -2.369 1.00 0.00 O ATOM 241 CB GLU A 19 -9.069 -15.049 -0.617 1.00 0.00 C ATOM 242 CG GLU A 19 -9.526 -14.843 0.828 1.00 0.00 C ATOM 243 CD GLU A 19 -10.680 -15.785 1.150 1.00 0.00 C ATOM 244 OE1 GLU A 19 -11.780 -15.521 0.693 1.00 0.00 O ATOM 245 OE2 GLU A 19 -10.447 -16.759 1.847 1.00 0.00 O ATOM 0 H GLU A 19 -9.217 -12.591 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.084 -14.351 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.877 -14.798 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.822 -16.097 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.696 -15.026 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.838 -13.809 0.975 1.00 0.00 H new ATOM 252 N LYS A 20 -7.865 -13.963 -3.319 1.00 0.00 N ATOM 253 CA LYS A 20 -7.391 -14.232 -4.673 1.00 0.00 C ATOM 254 C LYS A 20 -5.961 -13.730 -4.846 1.00 0.00 C ATOM 255 O LYS A 20 -5.109 -14.427 -5.397 1.00 0.00 O ATOM 256 CB LYS A 20 -8.303 -13.548 -5.693 1.00 0.00 C ATOM 257 CG LYS A 20 -9.699 -14.171 -5.628 1.00 0.00 C ATOM 258 CD LYS A 20 -10.581 -13.564 -6.720 1.00 0.00 C ATOM 259 CE LYS A 20 -12.006 -14.100 -6.581 1.00 0.00 C ATOM 260 NZ LYS A 20 -11.977 -15.417 -5.885 1.00 0.00 N ATOM 0 H LYS A 20 -8.662 -13.329 -3.263 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.410 -15.309 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.360 -12.479 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.891 -13.657 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.633 -15.251 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.142 -13.994 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.581 -12.477 -6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.182 -13.812 -7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.618 -13.394 -6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.463 -14.207 -7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.921 -15.852 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.288 -16.041 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.701 -15.279 -4.892 1.00 0.00 H new ATOM 274 N PHE A 21 -5.707 -12.515 -4.369 1.00 0.00 N ATOM 275 CA PHE A 21 -4.378 -11.927 -4.470 1.00 0.00 C ATOM 276 C PHE A 21 -3.397 -12.651 -3.554 1.00 0.00 C ATOM 277 O PHE A 21 -2.269 -12.949 -3.945 1.00 0.00 O ATOM 278 CB PHE A 21 -4.434 -10.446 -4.091 1.00 0.00 C ATOM 279 CG PHE A 21 -3.086 -9.811 -4.335 1.00 0.00 C ATOM 280 CD1 PHE A 21 -2.764 -9.321 -5.607 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.158 -9.715 -3.293 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.513 -8.734 -5.835 1.00 0.00 C ATOM 283 CE2 PHE A 21 -0.908 -9.127 -3.520 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.586 -8.636 -4.791 1.00 0.00 C ATOM 0 H PHE A 21 -6.400 -11.923 -3.912 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.035 -12.028 -5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.199 -9.938 -4.679 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.714 -10.338 -3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.480 -9.396 -6.412 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.406 -10.095 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.264 -8.357 -6.816 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.192 -9.052 -2.715 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.378 -8.182 -4.966 1.00 0.00 H new ATOM 294 N TYR A 22 -3.836 -12.924 -2.330 1.00 0.00 N ATOM 295 CA TYR A 22 -2.992 -13.605 -1.355 1.00 0.00 C ATOM 296 C TYR A 22 -2.532 -14.960 -1.883 1.00 0.00 C ATOM 297 O TYR A 22 -1.373 -15.339 -1.719 1.00 0.00 O ATOM 298 CB TYR A 22 -3.764 -13.803 -0.050 1.00 0.00 C ATOM 299 CG TYR A 22 -2.850 -14.402 0.993 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.054 -13.568 1.788 1.00 0.00 C ATOM 301 CD2 TYR A 22 -2.799 -15.790 1.167 1.00 0.00 C ATOM 302 CE1 TYR A 22 -1.208 -14.121 2.756 1.00 0.00 C ATOM 303 CE2 TYR A 22 -1.952 -16.343 2.135 1.00 0.00 C ATOM 304 CZ TYR A 22 -1.157 -15.510 2.928 1.00 0.00 C ATOM 305 OH TYR A 22 -0.323 -16.055 3.882 1.00 0.00 O ATOM 0 H TYR A 22 -4.768 -12.685 -1.990 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.113 -12.986 -1.174 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.156 -12.848 0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.620 -14.457 -0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.093 -12.497 1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.413 -16.434 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.595 -13.477 3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.913 -17.414 2.269 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.409 -17.031 3.872 1.00 0.00 H new ATOM 315 N GLY A 23 -3.447 -15.688 -2.515 1.00 0.00 N ATOM 316 CA GLY A 23 -3.116 -17.001 -3.056 1.00 0.00 C ATOM 317 C GLY A 23 -1.959 -16.908 -4.045 1.00 0.00 C ATOM 318 O GLY A 23 -1.069 -17.759 -4.055 1.00 0.00 O ATOM 0 H GLY A 23 -4.413 -15.395 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.851 -17.677 -2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.989 -17.425 -3.551 1.00 0.00 H new ATOM 322 N LYS A 24 -1.977 -15.870 -4.873 1.00 0.00 N ATOM 323 CA LYS A 24 -0.922 -15.676 -5.862 1.00 0.00 C ATOM 324 C LYS A 24 0.430 -15.499 -5.180 1.00 0.00 C ATOM 325 O LYS A 24 1.454 -15.972 -5.676 1.00 0.00 O ATOM 326 CB LYS A 24 -1.230 -14.445 -6.717 1.00 0.00 C ATOM 327 CG LYS A 24 -2.510 -14.688 -7.519 1.00 0.00 C ATOM 328 CD LYS A 24 -2.751 -13.511 -8.466 1.00 0.00 C ATOM 329 CE LYS A 24 -4.093 -13.694 -9.176 1.00 0.00 C ATOM 330 NZ LYS A 24 -5.117 -12.822 -8.535 1.00 0.00 N ATOM 0 H LYS A 24 -2.704 -15.155 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.880 -16.560 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.348 -13.568 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.399 -14.240 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.425 -15.614 -8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.358 -14.805 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.748 -12.575 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.946 -13.449 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.995 -13.442 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.405 -14.737 -9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.037 -12.971 -8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.192 -13.060 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.837 -11.826 -8.636 1.00 0.00 H new ATOM 344 N VAL A 25 0.430 -14.812 -4.042 1.00 0.00 N ATOM 345 CA VAL A 25 1.664 -14.574 -3.302 1.00 0.00 C ATOM 346 C VAL A 25 2.274 -15.892 -2.834 1.00 0.00 C ATOM 347 O VAL A 25 3.489 -16.080 -2.892 1.00 0.00 O ATOM 348 CB VAL A 25 1.384 -13.683 -2.092 1.00 0.00 C ATOM 349 CG1 VAL A 25 2.647 -13.566 -1.238 1.00 0.00 C ATOM 350 CG2 VAL A 25 0.961 -12.292 -2.569 1.00 0.00 C ATOM 0 H VAL A 25 -0.405 -14.412 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 25 2.371 -14.075 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 25 0.584 -14.123 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.446 -12.930 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.948 -14.556 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.449 -13.128 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.761 -11.657 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.761 -11.853 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.059 -12.374 -3.176 1.00 0.00 H new ATOM 360 N LEU A 26 1.423 -16.799 -2.368 1.00 0.00 N ATOM 361 CA LEU A 26 1.889 -18.095 -1.888 1.00 0.00 C ATOM 362 C LEU A 26 2.592 -18.861 -3.004 1.00 0.00 C ATOM 363 O LEU A 26 3.552 -19.592 -2.759 1.00 0.00 O ATOM 364 CB LEU A 26 0.705 -18.915 -1.372 1.00 0.00 C ATOM 365 CG LEU A 26 -0.025 -18.135 -0.276 1.00 0.00 C ATOM 366 CD1 LEU A 26 -1.172 -18.984 0.275 1.00 0.00 C ATOM 367 CD2 LEU A 26 0.952 -17.804 0.856 1.00 0.00 C ATOM 0 H LEU A 26 0.414 -16.663 -2.312 1.00 0.00 H new ATOM 0 HA LEU A 26 2.598 -17.927 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.020 -19.138 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.055 -19.870 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.423 -17.210 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.693 -18.429 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.869 -19.220 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.773 -19.909 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.431 -17.249 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.351 -18.728 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.770 -17.199 0.465 1.00 0.00 H new ATOM 379 N ALA A 27 2.104 -18.694 -4.230 1.00 0.00 N ATOM 380 CA ALA A 27 2.692 -19.381 -5.374 1.00 0.00 C ATOM 381 C ALA A 27 4.142 -18.950 -5.580 1.00 0.00 C ATOM 382 O ALA A 27 5.003 -19.770 -5.896 1.00 0.00 O ATOM 383 CB ALA A 27 1.884 -19.077 -6.637 1.00 0.00 C ATOM 0 H ALA A 27 1.310 -18.094 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 27 2.671 -20.453 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.329 -19.594 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.857 -19.417 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.889 -18.003 -6.822 1.00 0.00 H new ATOM 389 N ASP A 28 4.405 -17.658 -5.402 1.00 0.00 N ATOM 390 CA ASP A 28 5.756 -17.137 -5.573 1.00 0.00 C ATOM 391 C ASP A 28 6.529 -17.191 -4.256 1.00 0.00 C ATOM 392 O ASP A 28 6.299 -16.386 -3.354 1.00 0.00 O ATOM 393 CB ASP A 28 5.694 -15.694 -6.079 1.00 0.00 C ATOM 394 CG ASP A 28 7.103 -15.166 -6.328 1.00 0.00 C ATOM 395 OD1 ASP A 28 8.035 -15.945 -6.218 1.00 0.00 O ATOM 396 OD2 ASP A 28 7.229 -13.988 -6.623 1.00 0.00 O ATOM 0 H ASP A 28 3.708 -16.960 -5.142 1.00 0.00 H new ATOM 0 HA ASP A 28 6.276 -17.757 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.112 -15.648 -6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.185 -15.065 -5.348 1.00 0.00 H new ATOM 401 N GLU A 29 7.446 -18.146 -4.158 1.00 0.00 N ATOM 402 CA GLU A 29 8.252 -18.302 -2.952 1.00 0.00 C ATOM 403 C GLU A 29 9.296 -17.192 -2.841 1.00 0.00 C ATOM 404 O GLU A 29 9.721 -16.835 -1.742 1.00 0.00 O ATOM 405 CB GLU A 29 8.953 -19.663 -2.966 1.00 0.00 C ATOM 406 CG GLU A 29 9.652 -19.896 -1.625 1.00 0.00 C ATOM 407 CD GLU A 29 8.615 -20.084 -0.523 1.00 0.00 C ATOM 408 OE1 GLU A 29 7.505 -20.479 -0.842 1.00 0.00 O ATOM 409 OE2 GLU A 29 8.945 -19.832 0.624 1.00 0.00 O ATOM 0 H GLU A 29 7.650 -18.821 -4.895 1.00 0.00 H new ATOM 0 HA GLU A 29 7.587 -18.239 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.227 -20.455 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.680 -19.700 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.292 -20.776 -1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.296 -19.049 -1.389 1.00 0.00 H new ATOM 416 N ARG A 30 9.722 -16.668 -3.987 1.00 0.00 N ATOM 417 CA ARG A 30 10.737 -15.617 -4.010 1.00 0.00 C ATOM 418 C ARG A 30 10.336 -14.423 -3.145 1.00 0.00 C ATOM 419 O ARG A 30 11.164 -13.869 -2.424 1.00 0.00 O ATOM 420 CB ARG A 30 10.963 -15.147 -5.447 1.00 0.00 C ATOM 421 CG ARG A 30 11.542 -16.294 -6.278 1.00 0.00 C ATOM 422 CD ARG A 30 11.881 -15.788 -7.680 1.00 0.00 C ATOM 423 NE ARG A 30 10.702 -15.196 -8.302 1.00 0.00 N ATOM 424 CZ ARG A 30 9.654 -15.941 -8.638 1.00 0.00 C ATOM 425 NH1 ARG A 30 9.671 -17.227 -8.419 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.608 -15.386 -9.185 1.00 0.00 N ATOM 0 H ARG A 30 9.383 -16.951 -4.907 1.00 0.00 H new ATOM 0 HA ARG A 30 11.657 -16.037 -3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.022 -14.809 -5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.644 -14.296 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.436 -16.690 -5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.824 -17.112 -6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.681 -15.050 -7.624 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.249 -16.611 -8.292 1.00 0.00 H new ATOM 0 HE ARG A 30 10.681 -14.192 -8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.489 -17.661 -7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.867 -17.799 -8.677 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.594 -14.380 -9.355 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.804 -15.958 -9.443 1.00 0.00 H new ATOM 440 N VAL A 31 9.070 -14.024 -3.219 1.00 0.00 N ATOM 441 CA VAL A 31 8.601 -12.888 -2.430 1.00 0.00 C ATOM 442 C VAL A 31 8.317 -13.310 -0.993 1.00 0.00 C ATOM 443 O VAL A 31 8.440 -12.513 -0.064 1.00 0.00 O ATOM 444 CB VAL A 31 7.336 -12.294 -3.056 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.637 -11.846 -4.487 1.00 0.00 C ATOM 446 CG2 VAL A 31 6.228 -13.348 -3.080 1.00 0.00 C ATOM 0 H VAL A 31 8.360 -14.461 -3.807 1.00 0.00 H new ATOM 0 HA VAL A 31 9.386 -12.131 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 31 7.010 -11.439 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.737 -11.423 -4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.424 -11.092 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.965 -12.703 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.330 -12.921 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.554 -14.205 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.010 -13.670 -2.062 1.00 0.00 H new ATOM 456 N ASN A 32 7.931 -14.570 -0.822 1.00 0.00 N ATOM 457 CA ASN A 32 7.623 -15.096 0.502 1.00 0.00 C ATOM 458 C ASN A 32 8.811 -14.946 1.448 1.00 0.00 C ATOM 459 O ASN A 32 8.635 -14.729 2.646 1.00 0.00 O ATOM 460 CB ASN A 32 7.241 -16.575 0.397 1.00 0.00 C ATOM 461 CG ASN A 32 5.946 -16.725 -0.393 1.00 0.00 C ATOM 462 OD1 ASN A 32 5.212 -15.755 -0.573 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.622 -17.892 -0.879 1.00 0.00 N ATOM 0 H ASN A 32 7.824 -15.243 -1.581 1.00 0.00 H new ATOM 0 HA ASN A 32 6.787 -14.524 0.905 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.041 -17.132 -0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.120 -16.999 1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.758 -18.001 -1.410 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.233 -18.695 -0.728 1.00 0.00 H new ATOM 470 N ARG A 33 10.019 -15.073 0.908 1.00 0.00 N ATOM 471 CA ARG A 33 11.223 -14.964 1.726 1.00 0.00 C ATOM 472 C ARG A 33 11.215 -13.673 2.540 1.00 0.00 C ATOM 473 O ARG A 33 11.612 -13.662 3.705 1.00 0.00 O ATOM 474 CB ARG A 33 12.464 -14.989 0.833 1.00 0.00 C ATOM 475 CG ARG A 33 12.560 -16.341 0.124 1.00 0.00 C ATOM 476 CD ARG A 33 13.858 -16.402 -0.682 1.00 0.00 C ATOM 477 NE ARG A 33 13.871 -17.587 -1.531 1.00 0.00 N ATOM 478 CZ ARG A 33 15.007 -18.054 -2.037 1.00 0.00 C ATOM 479 NH1 ARG A 33 16.134 -17.450 -1.775 1.00 0.00 N ATOM 480 NH2 ARG A 33 14.997 -19.116 -2.796 1.00 0.00 N ATOM 0 H ARG A 33 10.190 -15.250 -0.082 1.00 0.00 H new ATOM 0 HA ARG A 33 11.244 -15.811 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.412 -14.185 0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.358 -14.817 1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.535 -17.150 0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.703 -16.480 -0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.956 -15.506 -1.295 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.713 -16.421 -0.006 1.00 0.00 H new ATOM 0 HE ARG A 33 12.994 -18.065 -1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.142 -16.620 -1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.007 -17.808 -2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.116 -19.588 -3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.870 -19.474 -3.184 1.00 0.00 H new ATOM 494 N PHE A 34 10.761 -12.590 1.922 1.00 0.00 N ATOM 495 CA PHE A 34 10.707 -11.302 2.602 1.00 0.00 C ATOM 496 C PHE A 34 9.662 -11.309 3.713 1.00 0.00 C ATOM 497 O PHE A 34 9.801 -10.603 4.711 1.00 0.00 O ATOM 498 CB PHE A 34 10.379 -10.196 1.599 1.00 0.00 C ATOM 499 CG PHE A 34 11.550 -9.999 0.668 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.583 -9.121 1.020 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.607 -10.694 -0.546 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.670 -8.937 0.158 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.694 -10.511 -1.408 1.00 0.00 C ATOM 504 CZ PHE A 34 13.726 -9.633 -1.056 1.00 0.00 C ATOM 0 H PHE A 34 10.427 -12.577 0.958 1.00 0.00 H new ATOM 0 HA PHE A 34 11.684 -11.115 3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.488 -10.459 1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.158 -9.267 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.541 -8.586 1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.811 -11.372 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.465 -8.259 0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.737 -11.047 -2.345 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.565 -9.492 -1.721 1.00 0.00 H new ATOM 514 N PHE A 35 8.607 -12.097 3.528 1.00 0.00 N ATOM 515 CA PHE A 35 7.538 -12.165 4.519 1.00 0.00 C ATOM 516 C PHE A 35 7.746 -13.320 5.495 1.00 0.00 C ATOM 517 O PHE A 35 6.965 -13.491 6.431 1.00 0.00 O ATOM 518 CB PHE A 35 6.190 -12.324 3.815 1.00 0.00 C ATOM 519 CG PHE A 35 5.910 -11.092 2.987 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.397 -9.941 3.596 1.00 0.00 C ATOM 521 CD2 PHE A 35 6.163 -11.101 1.610 1.00 0.00 C ATOM 522 CE1 PHE A 35 5.138 -8.798 2.828 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.904 -9.959 0.842 1.00 0.00 C ATOM 524 CZ PHE A 35 5.392 -8.808 1.452 1.00 0.00 C ATOM 0 H PHE A 35 8.470 -12.691 2.711 1.00 0.00 H new ATOM 0 HA PHE A 35 7.553 -11.236 5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.201 -13.209 3.179 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.398 -12.470 4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.201 -9.934 4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.558 -11.989 1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.742 -7.910 3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.099 -9.966 -0.220 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.193 -7.927 0.860 1.00 0.00 H new ATOM 534 N VAL A 36 8.796 -14.108 5.288 1.00 0.00 N ATOM 535 CA VAL A 36 9.066 -15.229 6.183 1.00 0.00 C ATOM 536 C VAL A 36 9.294 -14.728 7.604 1.00 0.00 C ATOM 537 O VAL A 36 8.719 -15.254 8.557 1.00 0.00 O ATOM 538 CB VAL A 36 10.296 -16.006 5.710 1.00 0.00 C ATOM 539 CG1 VAL A 36 10.886 -16.787 6.886 1.00 0.00 C ATOM 540 CG2 VAL A 36 9.885 -16.989 4.612 1.00 0.00 C ATOM 0 H VAL A 36 9.463 -13.996 4.524 1.00 0.00 H new ATOM 0 HA VAL A 36 8.201 -15.892 6.172 1.00 0.00 H new ATOM 0 HB VAL A 36 11.038 -15.309 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.763 -17.342 6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.175 -16.093 7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.141 -17.484 7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.760 -17.544 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.144 -17.685 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 36 9.457 -16.440 3.773 1.00 0.00 H new ATOM 550 N ASN A 37 10.126 -13.702 7.739 1.00 0.00 N ATOM 551 CA ASN A 37 10.410 -13.130 9.049 1.00 0.00 C ATOM 552 C ASN A 37 9.138 -12.545 9.652 1.00 0.00 C ATOM 553 O ASN A 37 8.925 -12.602 10.864 1.00 0.00 O ATOM 554 CB ASN A 37 11.473 -12.037 8.927 1.00 0.00 C ATOM 555 CG ASN A 37 12.789 -12.641 8.451 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.978 -13.856 8.524 1.00 0.00 O ATOM 557 ND2 ASN A 37 13.718 -11.862 7.966 1.00 0.00 N ATOM 0 H ASN A 37 10.612 -13.252 6.964 1.00 0.00 H new ATOM 0 HA ASN A 37 10.784 -13.919 9.701 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.140 -11.271 8.226 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.615 -11.547 9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.602 -12.259 7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.560 -10.856 7.906 1.00 0.00 H new ATOM 564 N THR A 38 8.296 -11.981 8.791 1.00 0.00 N ATOM 565 CA THR A 38 7.042 -11.383 9.232 1.00 0.00 C ATOM 566 C THR A 38 5.945 -12.440 9.306 1.00 0.00 C ATOM 567 O THR A 38 5.865 -13.323 8.454 1.00 0.00 O ATOM 568 CB THR A 38 6.625 -10.277 8.261 1.00 0.00 C ATOM 569 OG1 THR A 38 7.671 -9.320 8.158 1.00 0.00 O ATOM 570 CG2 THR A 38 5.355 -9.596 8.773 1.00 0.00 C ATOM 0 H THR A 38 8.460 -11.926 7.786 1.00 0.00 H new ATOM 0 HA THR A 38 7.189 -10.958 10.225 1.00 0.00 H new ATOM 0 HB THR A 38 6.430 -10.710 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.406 -8.612 7.535 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.060 -8.808 8.080 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.554 -10.331 8.850 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.545 -9.163 9.755 1.00 0.00 H new ATOM 578 N ASP A 39 5.102 -12.345 10.329 1.00 0.00 N ATOM 579 CA ASP A 39 4.018 -13.306 10.497 1.00 0.00 C ATOM 580 C ASP A 39 2.978 -13.143 9.391 1.00 0.00 C ATOM 581 O ASP A 39 2.802 -12.056 8.842 1.00 0.00 O ATOM 582 CB ASP A 39 3.354 -13.118 11.864 1.00 0.00 C ATOM 583 CG ASP A 39 2.702 -11.742 11.951 1.00 0.00 C ATOM 584 OD1 ASP A 39 2.542 -11.116 10.917 1.00 0.00 O ATOM 585 OD2 ASP A 39 2.371 -11.334 13.052 1.00 0.00 O ATOM 0 H ASP A 39 5.147 -11.621 11.046 1.00 0.00 H new ATOM 0 HA ASP A 39 4.438 -14.310 10.437 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.605 -13.894 12.022 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.096 -13.227 12.655 1.00 0.00 H new ATOM 590 N MET A 40 2.299 -14.236 9.066 1.00 0.00 N ATOM 591 CA MET A 40 1.282 -14.214 8.021 1.00 0.00 C ATOM 592 C MET A 40 0.151 -13.252 8.377 1.00 0.00 C ATOM 593 O MET A 40 -0.437 -12.624 7.499 1.00 0.00 O ATOM 594 CB MET A 40 0.709 -15.619 7.819 1.00 0.00 C ATOM 595 CG MET A 40 1.796 -16.537 7.257 1.00 0.00 C ATOM 596 SD MET A 40 1.087 -18.165 6.901 1.00 0.00 S ATOM 597 CE MET A 40 2.619 -18.965 6.367 1.00 0.00 C ATOM 0 H MET A 40 2.433 -15.145 9.508 1.00 0.00 H new ATOM 0 HA MET A 40 1.753 -13.873 7.099 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.340 -16.012 8.766 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.140 -15.582 7.136 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.218 -16.106 6.349 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.612 -16.633 7.973 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.413 -20.000 6.094 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.024 -18.436 5.504 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.344 -18.942 7.180 1.00 0.00 H new ATOM 607 N ALA A 41 -0.157 -13.151 9.666 1.00 0.00 N ATOM 608 CA ALA A 41 -1.233 -12.273 10.114 1.00 0.00 C ATOM 609 C ALA A 41 -1.029 -10.848 9.606 1.00 0.00 C ATOM 610 O ALA A 41 -1.878 -10.308 8.896 1.00 0.00 O ATOM 611 CB ALA A 41 -1.294 -12.266 11.642 1.00 0.00 C ATOM 0 H ALA A 41 0.317 -13.660 10.412 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.171 -12.653 9.708 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.099 -11.609 11.971 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.480 -13.277 12.003 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.346 -11.907 12.042 1.00 0.00 H new ATOM 617 N LYS A 42 0.096 -10.244 9.971 1.00 0.00 N ATOM 618 CA LYS A 42 0.390 -8.881 9.542 1.00 0.00 C ATOM 619 C LYS A 42 0.502 -8.807 8.022 1.00 0.00 C ATOM 620 O LYS A 42 0.145 -7.799 7.412 1.00 0.00 O ATOM 621 CB LYS A 42 1.694 -8.395 10.176 1.00 0.00 C ATOM 622 CG LYS A 42 1.547 -8.381 11.700 1.00 0.00 C ATOM 623 CD LYS A 42 2.724 -7.624 12.321 1.00 0.00 C ATOM 624 CE LYS A 42 4.030 -8.349 11.995 1.00 0.00 C ATOM 625 NZ LYS A 42 4.696 -7.677 10.844 1.00 0.00 N ATOM 0 H LYS A 42 0.813 -10.671 10.557 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.429 -8.239 9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.517 -9.048 9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.936 -7.396 9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.607 -7.906 11.981 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.515 -9.401 12.082 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.757 -6.604 11.937 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.595 -7.554 13.401 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.688 -8.344 12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.829 -9.393 11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.679 -8.008 10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.187 -7.906 9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.688 -6.647 10.991 1.00 0.00 H new ATOM 639 N GLN A 43 1.010 -9.877 7.417 1.00 0.00 N ATOM 640 CA GLN A 43 1.175 -9.916 5.969 1.00 0.00 C ATOM 641 C GLN A 43 -0.149 -9.655 5.258 1.00 0.00 C ATOM 642 O GLN A 43 -0.197 -8.923 4.270 1.00 0.00 O ATOM 643 CB GLN A 43 1.721 -11.280 5.543 1.00 0.00 C ATOM 644 CG GLN A 43 2.045 -11.255 4.049 1.00 0.00 C ATOM 645 CD GLN A 43 2.503 -12.636 3.592 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.673 -13.581 4.475 1.00 0.00 O flip ATOM 647 NE2 GLN A 43 2.712 -12.858 2.399 1.00 0.00 N flip ATOM 0 H GLN A 43 1.312 -10.722 7.903 1.00 0.00 H new ATOM 0 HA GLN A 43 1.880 -9.133 5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.616 -11.520 6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.988 -12.059 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.165 -10.949 3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.825 -10.520 3.850 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.578 -12.117 1.711 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.019 -13.783 2.099 1.00 0.00 H new ATOM 656 N LYS A 44 -1.223 -10.255 5.762 1.00 0.00 N ATOM 657 CA LYS A 44 -2.538 -10.072 5.158 1.00 0.00 C ATOM 658 C LYS A 44 -2.935 -8.600 5.167 1.00 0.00 C ATOM 659 O LYS A 44 -3.538 -8.101 4.218 1.00 0.00 O ATOM 660 CB LYS A 44 -3.585 -10.889 5.919 1.00 0.00 C ATOM 661 CG LYS A 44 -3.285 -12.381 5.762 1.00 0.00 C ATOM 662 CD LYS A 44 -4.392 -13.197 6.430 1.00 0.00 C ATOM 663 CE LYS A 44 -4.035 -14.684 6.373 1.00 0.00 C ATOM 664 NZ LYS A 44 -3.691 -15.165 7.741 1.00 0.00 N ATOM 0 H LYS A 44 -1.210 -10.866 6.579 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.490 -10.417 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.578 -10.615 6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.582 -10.666 5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.215 -12.640 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.321 -12.618 6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.516 -12.881 7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.343 -13.021 5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.874 -15.255 5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.194 -14.841 5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.448 -16.176 7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.878 -14.627 8.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.506 -15.028 8.372 1.00 0.00 H new ATOM 678 N GLN A 45 -2.594 -7.912 6.251 1.00 0.00 N ATOM 679 CA GLN A 45 -2.919 -6.498 6.382 1.00 0.00 C ATOM 680 C GLN A 45 -2.254 -5.681 5.276 1.00 0.00 C ATOM 681 O GLN A 45 -2.839 -4.730 4.757 1.00 0.00 O ATOM 682 CB GLN A 45 -2.458 -5.984 7.747 1.00 0.00 C ATOM 683 CG GLN A 45 -2.983 -4.564 7.966 1.00 0.00 C ATOM 684 CD GLN A 45 -2.582 -4.068 9.351 1.00 0.00 C ATOM 685 OE1 GLN A 45 -2.053 -4.835 10.157 1.00 0.00 O ATOM 686 NE2 GLN A 45 -2.805 -2.825 9.679 1.00 0.00 N ATOM 0 H GLN A 45 -2.095 -8.309 7.047 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.000 -6.386 6.294 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.821 -6.642 8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.369 -5.992 7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.583 -3.898 7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.068 -4.549 7.865 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.243 -2.192 9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.541 -2.487 10.604 1.00 0.00 H new ATOM 695 N HIS A 46 -1.026 -6.052 4.927 1.00 0.00 N ATOM 696 CA HIS A 46 -0.288 -5.337 3.890 1.00 0.00 C ATOM 697 C HIS A 46 -1.032 -5.377 2.557 1.00 0.00 C ATOM 698 O HIS A 46 -1.146 -4.361 1.872 1.00 0.00 O ATOM 699 CB HIS A 46 1.101 -5.952 3.718 1.00 0.00 C ATOM 700 CG HIS A 46 1.912 -5.095 2.785 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.239 -5.503 1.502 1.00 0.00 N ATOM 702 CD2 HIS A 46 2.465 -3.849 2.937 1.00 0.00 C ATOM 703 CE1 HIS A 46 2.960 -4.516 0.936 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.126 -3.485 1.768 1.00 0.00 N ATOM 0 H HIS A 46 -0.524 -6.837 5.343 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.193 -4.297 4.202 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.599 -6.030 4.684 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.017 -6.963 3.321 1.00 0.00 H new ATOM 0 HD1 HIS A 46 1.981 -6.388 1.066 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.398 -3.243 3.828 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.356 -4.554 -0.068 1.00 0.00 H new ATOM 712 N GLN A 47 -1.532 -6.554 2.190 1.00 0.00 N ATOM 713 CA GLN A 47 -2.255 -6.699 0.932 1.00 0.00 C ATOM 714 C GLN A 47 -3.479 -5.789 0.901 1.00 0.00 C ATOM 715 O GLN A 47 -3.788 -5.192 -0.131 1.00 0.00 O ATOM 716 CB GLN A 47 -2.687 -8.154 0.736 1.00 0.00 C ATOM 717 CG GLN A 47 -1.473 -9.012 0.363 1.00 0.00 C ATOM 718 CD GLN A 47 -0.238 -8.560 1.137 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.257 -7.452 0.934 1.00 0.00 O ATOM 720 NE2 GLN A 47 0.299 -9.363 2.014 1.00 0.00 N ATOM 0 H GLN A 47 -1.451 -7.410 2.738 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.587 -6.410 0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.144 -8.533 1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.442 -8.216 -0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.681 -10.060 0.579 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.285 -8.939 -0.708 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.111 -10.282 2.183 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.129 -9.072 2.531 1.00 0.00 H new ATOM 729 N LYS A 48 -4.169 -5.675 2.032 1.00 0.00 N ATOM 730 CA LYS A 48 -5.348 -4.819 2.098 1.00 0.00 C ATOM 731 C LYS A 48 -4.961 -3.374 1.810 1.00 0.00 C ATOM 732 O LYS A 48 -5.591 -2.702 0.993 1.00 0.00 O ATOM 733 CB LYS A 48 -5.994 -4.910 3.484 1.00 0.00 C ATOM 734 CG LYS A 48 -7.303 -4.111 3.491 1.00 0.00 C ATOM 735 CD LYS A 48 -7.854 -4.024 4.917 1.00 0.00 C ATOM 736 CE LYS A 48 -8.704 -5.260 5.214 1.00 0.00 C ATOM 737 NZ LYS A 48 -8.940 -5.361 6.681 1.00 0.00 N ATOM 0 H LYS A 48 -3.937 -6.156 2.901 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.064 -5.157 1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.190 -5.952 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.313 -4.520 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.130 -3.109 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.034 -4.588 2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.034 -3.954 5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.454 -3.121 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.655 -5.196 4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.199 -6.156 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.518 -6.202 6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.028 -5.441 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.439 -4.510 7.012 1.00 0.00 H new ATOM 751 N ASP A 49 -3.913 -2.906 2.480 1.00 0.00 N ATOM 752 CA ASP A 49 -3.441 -1.542 2.283 1.00 0.00 C ATOM 753 C ASP A 49 -2.886 -1.370 0.874 1.00 0.00 C ATOM 754 O ASP A 49 -3.105 -0.346 0.228 1.00 0.00 O ATOM 755 CB ASP A 49 -2.352 -1.217 3.308 1.00 0.00 C ATOM 756 CG ASP A 49 -2.940 -1.233 4.714 1.00 0.00 C ATOM 757 OD1 ASP A 49 -4.155 -1.225 4.827 1.00 0.00 O ATOM 758 OD2 ASP A 49 -2.168 -1.253 5.658 1.00 0.00 O ATOM 0 H ASP A 49 -3.378 -3.447 3.159 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.280 -0.860 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.543 -1.944 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.921 -0.238 3.096 1.00 0.00 H new ATOM 763 N PHE A 50 -2.167 -2.385 0.404 1.00 0.00 N ATOM 764 CA PHE A 50 -1.583 -2.347 -0.931 1.00 0.00 C ATOM 765 C PHE A 50 -2.674 -2.229 -1.989 1.00 0.00 C ATOM 766 O PHE A 50 -2.574 -1.421 -2.912 1.00 0.00 O ATOM 767 CB PHE A 50 -0.765 -3.617 -1.175 1.00 0.00 C ATOM 768 CG PHE A 50 -0.073 -3.525 -2.513 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.168 -2.886 -2.618 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.670 -4.084 -3.649 1.00 0.00 C ATOM 771 CE1 PHE A 50 1.810 -2.804 -3.859 1.00 0.00 C ATOM 772 CE2 PHE A 50 -0.029 -4.003 -4.890 1.00 0.00 C ATOM 773 CZ PHE A 50 1.212 -3.363 -4.995 1.00 0.00 C ATOM 0 H PHE A 50 -1.976 -3.240 0.926 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.932 -1.476 -1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.029 -3.745 -0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.416 -4.491 -1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.630 -2.456 -1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.627 -4.578 -3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.767 -2.310 -3.940 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.491 -4.434 -5.766 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.708 -3.301 -5.952 1.00 0.00 H new ATOM 783 N MET A 51 -3.714 -3.044 -1.848 1.00 0.00 N ATOM 784 CA MET A 51 -4.819 -3.026 -2.798 1.00 0.00 C ATOM 785 C MET A 51 -5.505 -1.663 -2.799 1.00 0.00 C ATOM 786 O MET A 51 -5.888 -1.152 -3.851 1.00 0.00 O ATOM 787 CB MET A 51 -5.835 -4.111 -2.434 1.00 0.00 C ATOM 788 CG MET A 51 -6.896 -4.216 -3.533 1.00 0.00 C ATOM 789 SD MET A 51 -6.186 -5.044 -4.978 1.00 0.00 S ATOM 790 CE MET A 51 -7.360 -6.419 -5.053 1.00 0.00 C ATOM 0 H MET A 51 -3.814 -3.720 -1.091 1.00 0.00 H new ATOM 0 HA MET A 51 -4.421 -3.219 -3.794 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.330 -5.069 -2.311 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.308 -3.875 -1.481 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.759 -4.773 -3.168 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.251 -3.223 -3.807 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.105 -7.070 -5.889 1.00 0.00 H new ATOM 0 HE2 MET A 51 -7.315 -6.987 -4.124 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.369 -6.029 -5.191 1.00 0.00 H new ATOM 800 N THR A 52 -5.660 -1.081 -1.614 1.00 0.00 N ATOM 801 CA THR A 52 -6.307 0.221 -1.497 1.00 0.00 C ATOM 802 C THR A 52 -5.529 1.280 -2.275 1.00 0.00 C ATOM 803 O THR A 52 -6.117 2.114 -2.963 1.00 0.00 O ATOM 804 CB THR A 52 -6.395 0.630 -0.025 1.00 0.00 C ATOM 805 OG1 THR A 52 -7.044 -0.399 0.711 1.00 0.00 O ATOM 806 CG2 THR A 52 -7.190 1.930 0.104 1.00 0.00 C ATOM 0 H THR A 52 -5.350 -1.485 -0.730 1.00 0.00 H new ATOM 0 HA THR A 52 -7.311 0.145 -1.914 1.00 0.00 H new ATOM 0 HB THR A 52 -5.390 0.784 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.410 -1.126 0.886 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.250 2.217 1.154 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.692 2.719 -0.460 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.196 1.782 -0.290 1.00 0.00 H new ATOM 814 N TYR A 53 -4.206 1.238 -2.160 1.00 0.00 N ATOM 815 CA TYR A 53 -3.357 2.199 -2.855 1.00 0.00 C ATOM 816 C TYR A 53 -3.528 2.078 -4.368 1.00 0.00 C ATOM 817 O TYR A 53 -3.593 3.082 -5.076 1.00 0.00 O ATOM 818 CB TYR A 53 -1.892 1.964 -2.484 1.00 0.00 C ATOM 819 CG TYR A 53 -1.038 3.051 -3.091 1.00 0.00 C ATOM 820 CD1 TYR A 53 -0.885 4.273 -2.426 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.396 2.837 -4.317 1.00 0.00 C ATOM 822 CE1 TYR A 53 -0.092 5.282 -2.986 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.397 3.846 -4.878 1.00 0.00 C ATOM 824 CZ TYR A 53 0.548 5.068 -4.212 1.00 0.00 C ATOM 825 OH TYR A 53 1.330 6.062 -4.764 1.00 0.00 O ATOM 0 H TYR A 53 -3.701 0.554 -1.596 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.654 3.202 -2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.777 1.959 -1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.567 0.988 -2.844 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.379 4.438 -1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.512 1.894 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.026 6.225 -2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.892 3.681 -5.824 1.00 0.00 H new ATOM 0 HH TYR A 53 1.702 5.751 -5.615 1.00 0.00 H new ATOM 835 N ALA A 54 -3.595 0.843 -4.855 1.00 0.00 N ATOM 836 CA ALA A 54 -3.754 0.602 -6.285 1.00 0.00 C ATOM 837 C ALA A 54 -5.093 1.139 -6.783 1.00 0.00 C ATOM 838 O ALA A 54 -5.199 1.624 -7.908 1.00 0.00 O ATOM 839 CB ALA A 54 -3.667 -0.899 -6.575 1.00 0.00 C ATOM 0 H ALA A 54 -3.542 -0.001 -4.285 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.953 1.124 -6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.787 -1.070 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.696 -1.276 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.456 -1.421 -6.033 1.00 0.00 H new ATOM 845 N PHE A 55 -6.113 1.048 -5.935 1.00 0.00 N ATOM 846 CA PHE A 55 -7.442 1.526 -6.299 1.00 0.00 C ATOM 847 C PHE A 55 -7.496 3.050 -6.258 1.00 0.00 C ATOM 848 O PHE A 55 -8.535 3.651 -6.534 1.00 0.00 O ATOM 849 CB PHE A 55 -8.487 0.945 -5.344 1.00 0.00 C ATOM 850 CG PHE A 55 -8.889 -0.434 -5.813 1.00 0.00 C ATOM 851 CD1 PHE A 55 -7.910 -1.404 -6.065 1.00 0.00 C ATOM 852 CD2 PHE A 55 -10.242 -0.743 -5.996 1.00 0.00 C ATOM 853 CE1 PHE A 55 -8.285 -2.681 -6.499 1.00 0.00 C ATOM 854 CE2 PHE A 55 -10.617 -2.020 -6.432 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.638 -2.988 -6.683 1.00 0.00 C ATOM 0 H PHE A 55 -6.046 0.651 -4.998 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.660 1.197 -7.315 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.082 0.893 -4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.360 1.596 -5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.866 -1.167 -5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.997 0.004 -5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.530 -3.429 -6.692 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.661 -2.258 -6.574 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.927 -3.973 -7.019 1.00 0.00 H new ATOM 865 N GLY A 56 -6.373 3.668 -5.911 1.00 0.00 N ATOM 866 CA GLY A 56 -6.304 5.123 -5.836 1.00 0.00 C ATOM 867 C GLY A 56 -6.478 5.604 -4.400 1.00 0.00 C ATOM 868 O GLY A 56 -6.477 6.806 -4.133 1.00 0.00 O ATOM 0 H GLY A 56 -5.503 3.189 -5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.345 5.466 -6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.078 5.560 -6.466 1.00 0.00 H new ATOM 872 N GLY A 57 -6.625 4.658 -3.481 1.00 0.00 N ATOM 873 CA GLY A 57 -6.795 4.995 -2.073 1.00 0.00 C ATOM 874 C GLY A 57 -5.480 5.477 -1.471 1.00 0.00 C ATOM 875 O GLY A 57 -5.042 4.980 -0.432 1.00 0.00 O ATOM 0 H GLY A 57 -6.630 3.658 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.554 5.770 -1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.153 4.123 -1.526 1.00 0.00 H new ATOM 879 N THR A 58 -4.851 6.443 -2.132 1.00 0.00 N ATOM 880 CA THR A 58 -3.580 6.979 -1.657 1.00 0.00 C ATOM 881 C THR A 58 -3.739 7.595 -0.270 1.00 0.00 C ATOM 882 O THR A 58 -2.814 7.564 0.540 1.00 0.00 O ATOM 883 CB THR A 58 -3.064 8.041 -2.631 1.00 0.00 C ATOM 884 OG1 THR A 58 -3.933 9.166 -2.607 1.00 0.00 O ATOM 885 CG2 THR A 58 -3.019 7.462 -4.046 1.00 0.00 C ATOM 0 H THR A 58 -5.197 6.868 -2.992 1.00 0.00 H new ATOM 0 HA THR A 58 -2.864 6.160 -1.598 1.00 0.00 H new ATOM 0 HB THR A 58 -2.061 8.348 -2.334 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.603 9.848 -3.229 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.651 8.220 -4.738 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.353 6.599 -4.065 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.021 7.153 -4.345 1.00 0.00 H new ATOM 893 N ASP A 59 -4.914 8.155 -0.003 1.00 0.00 N ATOM 894 CA ASP A 59 -5.172 8.774 1.292 1.00 0.00 C ATOM 895 C ASP A 59 -3.954 9.567 1.751 1.00 0.00 C ATOM 896 O ASP A 59 -3.632 9.597 2.939 1.00 0.00 O ATOM 897 CB ASP A 59 -5.505 7.699 2.329 1.00 0.00 C ATOM 898 CG ASP A 59 -5.933 8.353 3.639 1.00 0.00 C ATOM 899 OD1 ASP A 59 -6.069 9.565 3.656 1.00 0.00 O ATOM 900 OD2 ASP A 59 -6.119 7.631 4.605 1.00 0.00 O ATOM 0 H ASP A 59 -5.695 8.193 -0.658 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.020 9.452 1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.303 7.057 1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.636 7.063 2.497 1.00 0.00 H new ATOM 905 N ARG A 60 -3.287 10.210 0.796 1.00 0.00 N ATOM 906 CA ARG A 60 -2.100 11.008 1.094 1.00 0.00 C ATOM 907 C ARG A 60 -1.336 10.431 2.282 1.00 0.00 C ATOM 908 O ARG A 60 -1.453 10.921 3.405 1.00 0.00 O ATOM 909 CB ARG A 60 -2.503 12.451 1.395 1.00 0.00 C ATOM 910 CG ARG A 60 -1.246 13.304 1.573 1.00 0.00 C ATOM 911 CD ARG A 60 -1.246 14.435 0.544 1.00 0.00 C ATOM 912 NE ARG A 60 -1.181 13.887 -0.806 1.00 0.00 N ATOM 913 CZ ARG A 60 -0.719 14.608 -1.822 1.00 0.00 C ATOM 914 NH1 ARG A 60 -0.314 15.833 -1.621 1.00 0.00 N ATOM 915 NH2 ARG A 60 -0.668 14.092 -3.019 1.00 0.00 N ATOM 0 H ARG A 60 -3.548 10.194 -0.190 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.449 10.985 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.112 12.847 0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.112 12.489 2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.213 13.716 2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.355 12.688 1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.147 15.039 0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.396 15.095 0.718 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.496 12.932 -0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.352 16.236 -0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.041 16.387 -2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.983 13.135 -3.175 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.313 14.646 -3.798 1.00 0.00 H new ATOM 929 N PHE A 61 -0.551 9.389 2.027 1.00 0.00 N ATOM 930 CA PHE A 61 0.230 8.754 3.083 1.00 0.00 C ATOM 931 C PHE A 61 1.378 9.666 3.518 1.00 0.00 C ATOM 932 O PHE A 61 1.876 10.465 2.724 1.00 0.00 O ATOM 933 CB PHE A 61 0.796 7.423 2.584 1.00 0.00 C ATOM 934 CG PHE A 61 -0.292 6.376 2.593 1.00 0.00 C ATOM 935 CD1 PHE A 61 -0.640 5.739 3.790 1.00 0.00 C ATOM 936 CD2 PHE A 61 -0.952 6.042 1.404 1.00 0.00 C ATOM 937 CE1 PHE A 61 -1.648 4.767 3.798 1.00 0.00 C ATOM 938 CE2 PHE A 61 -1.961 5.071 1.412 1.00 0.00 C ATOM 939 CZ PHE A 61 -2.309 4.434 2.609 1.00 0.00 C ATOM 0 H PHE A 61 -0.439 8.968 1.104 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.423 8.574 3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.194 7.540 1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.624 7.107 3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.131 5.997 4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.683 6.533 0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.916 4.274 4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.470 4.814 0.495 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.088 3.685 2.616 1.00 0.00 H new ATOM 949 N PRO A 62 1.811 9.565 4.752 1.00 0.00 N ATOM 950 CA PRO A 62 2.925 10.400 5.276 1.00 0.00 C ATOM 951 C PRO A 62 4.055 10.550 4.261 1.00 0.00 C ATOM 952 O PRO A 62 4.379 11.659 3.835 1.00 0.00 O ATOM 953 CB PRO A 62 3.403 9.631 6.507 1.00 0.00 C ATOM 954 CG PRO A 62 2.221 8.847 6.980 1.00 0.00 C ATOM 955 CD PRO A 62 1.288 8.648 5.780 1.00 0.00 C ATOM 0 HA PRO A 62 2.605 11.418 5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.235 8.972 6.258 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.756 10.312 7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.536 7.885 7.384 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.706 9.376 7.782 1.00 0.00 H new ATOM 0 HD2 PRO A 62 1.301 7.614 5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.255 8.886 6.036 1.00 0.00 H new ATOM 963 N GLY A 63 4.649 9.425 3.876 1.00 0.00 N ATOM 964 CA GLY A 63 5.739 9.438 2.909 1.00 0.00 C ATOM 965 C GLY A 63 7.091 9.473 3.612 1.00 0.00 C ATOM 966 O GLY A 63 8.138 9.355 2.975 1.00 0.00 O ATOM 0 H GLY A 63 4.395 8.498 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.678 8.554 2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.641 10.306 2.257 1.00 0.00 H new ATOM 970 N ARG A 64 7.062 9.635 4.931 1.00 0.00 N ATOM 971 CA ARG A 64 8.292 9.686 5.713 1.00 0.00 C ATOM 972 C ARG A 64 8.575 8.333 6.359 1.00 0.00 C ATOM 973 O ARG A 64 9.554 7.666 6.023 1.00 0.00 O ATOM 974 CB ARG A 64 8.176 10.756 6.800 1.00 0.00 C ATOM 975 CG ARG A 64 9.509 10.875 7.541 1.00 0.00 C ATOM 976 CD ARG A 64 9.376 11.898 8.669 1.00 0.00 C ATOM 977 NE ARG A 64 10.665 12.099 9.322 1.00 0.00 N ATOM 978 CZ ARG A 64 11.217 11.142 10.064 1.00 0.00 C ATOM 979 NH1 ARG A 64 10.605 9.999 10.215 1.00 0.00 N ATOM 980 NH2 ARG A 64 12.370 11.346 10.639 1.00 0.00 N ATOM 0 H ARG A 64 6.206 9.733 5.478 1.00 0.00 H new ATOM 0 HA ARG A 64 9.115 9.935 5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.908 11.714 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.381 10.495 7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.799 9.906 7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.295 11.180 6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.011 12.844 8.270 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.641 11.554 9.397 1.00 0.00 H new ATOM 0 HE ARG A 64 11.151 12.988 9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.704 9.840 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.028 9.265 10.784 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.848 12.239 10.520 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.793 10.613 11.208 1.00 0.00 H new ATOM 994 N SER A 65 7.713 7.940 7.289 1.00 0.00 N ATOM 995 CA SER A 65 7.875 6.668 7.983 1.00 0.00 C ATOM 996 C SER A 65 7.792 5.503 7.003 1.00 0.00 C ATOM 997 O SER A 65 8.260 4.401 7.294 1.00 0.00 O ATOM 998 CB SER A 65 6.794 6.515 9.053 1.00 0.00 C ATOM 999 OG SER A 65 5.534 6.333 8.423 1.00 0.00 O ATOM 0 H SER A 65 6.898 8.481 7.579 1.00 0.00 H new ATOM 0 HA SER A 65 8.858 6.659 8.455 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.019 5.663 9.695 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.770 7.398 9.692 1.00 0.00 H new ATOM 0 HG SER A 65 4.838 6.233 9.106 1.00 0.00 H new ATOM 1005 N MET A 66 7.191 5.748 5.844 1.00 0.00 N ATOM 1006 CA MET A 66 7.052 4.703 4.837 1.00 0.00 C ATOM 1007 C MET A 66 8.414 4.123 4.471 1.00 0.00 C ATOM 1008 O MET A 66 8.552 2.914 4.284 1.00 0.00 O ATOM 1009 CB MET A 66 6.386 5.271 3.581 1.00 0.00 C ATOM 1010 CG MET A 66 4.954 5.701 3.906 1.00 0.00 C ATOM 1011 SD MET A 66 3.978 4.249 4.370 1.00 0.00 S ATOM 1012 CE MET A 66 3.271 4.925 5.891 1.00 0.00 C ATOM 0 H MET A 66 6.796 6.651 5.580 1.00 0.00 H new ATOM 0 HA MET A 66 6.431 3.909 5.252 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.956 6.122 3.209 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.380 4.521 2.790 1.00 0.00 H new ATOM 0 HG2 MET A 66 4.957 6.426 4.720 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.506 6.193 3.043 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.541 4.224 6.296 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.064 5.085 6.621 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.781 5.874 5.674 1.00 0.00 H new ATOM 1022 N ARG A 67 9.419 4.986 4.377 1.00 0.00 N ATOM 1023 CA ARG A 67 10.764 4.536 4.039 1.00 0.00 C ATOM 1024 C ARG A 67 11.308 3.614 5.127 1.00 0.00 C ATOM 1025 O ARG A 67 11.953 2.607 4.836 1.00 0.00 O ATOM 1026 CB ARG A 67 11.697 5.737 3.878 1.00 0.00 C ATOM 1027 CG ARG A 67 11.250 6.578 2.680 1.00 0.00 C ATOM 1028 CD ARG A 67 12.263 7.698 2.439 1.00 0.00 C ATOM 1029 NE ARG A 67 11.769 8.618 1.421 1.00 0.00 N ATOM 1030 CZ ARG A 67 12.551 9.569 0.918 1.00 0.00 C ATOM 1031 NH1 ARG A 67 13.783 9.687 1.333 1.00 0.00 N ATOM 1032 NH2 ARG A 67 12.087 10.383 0.009 1.00 0.00 N ATOM 0 H ARG A 67 9.330 5.991 4.528 1.00 0.00 H new ATOM 0 HA ARG A 67 10.715 3.987 3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.686 6.342 4.784 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.722 5.397 3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.167 5.951 1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.262 7.000 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.446 8.238 3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.216 7.274 2.123 1.00 0.00 H new ATOM 0 HE ARG A 67 10.808 8.531 1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.145 9.050 2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.383 10.416 0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.125 10.290 -0.316 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.687 11.112 -0.377 1.00 0.00 H new ATOM 1046 N ALA A 68 11.042 3.970 6.380 1.00 0.00 N ATOM 1047 CA ALA A 68 11.509 3.172 7.510 1.00 0.00 C ATOM 1048 C ALA A 68 10.798 1.824 7.554 1.00 0.00 C ATOM 1049 O ALA A 68 11.383 0.818 7.956 1.00 0.00 O ATOM 1050 CB ALA A 68 11.259 3.925 8.817 1.00 0.00 C ATOM 0 H ALA A 68 10.509 4.800 6.638 1.00 0.00 H new ATOM 0 HA ALA A 68 12.578 2.998 7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.610 3.324 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.797 4.873 8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.192 4.116 8.929 1.00 0.00 H new ATOM 1056 N ALA A 69 9.535 1.811 7.145 1.00 0.00 N ATOM 1057 CA ALA A 69 8.754 0.578 7.153 1.00 0.00 C ATOM 1058 C ALA A 69 9.387 -0.466 6.240 1.00 0.00 C ATOM 1059 O ALA A 69 9.387 -1.657 6.553 1.00 0.00 O ATOM 1060 CB ALA A 69 7.324 0.864 6.692 1.00 0.00 C ATOM 0 H ALA A 69 9.033 2.632 6.806 1.00 0.00 H new ATOM 0 HA ALA A 69 8.737 0.188 8.171 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.747 -0.061 6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.862 1.586 7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.342 1.271 5.681 1.00 0.00 H new ATOM 1066 N HIS A 70 9.924 -0.016 5.112 1.00 0.00 N ATOM 1067 CA HIS A 70 10.556 -0.927 4.166 1.00 0.00 C ATOM 1068 C HIS A 70 12.059 -1.007 4.417 1.00 0.00 C ATOM 1069 O HIS A 70 12.728 -1.929 3.950 1.00 0.00 O ATOM 1070 CB HIS A 70 10.298 -0.454 2.735 1.00 0.00 C ATOM 1071 CG HIS A 70 8.818 -0.470 2.464 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.045 0.679 2.514 1.00 0.00 N ATOM 1073 CD2 HIS A 70 7.958 -1.489 2.140 1.00 0.00 C ATOM 1074 CE1 HIS A 70 6.778 0.327 2.228 1.00 0.00 C ATOM 1075 NE2 HIS A 70 6.669 -0.984 1.993 1.00 0.00 N ATOM 0 H HIS A 70 9.935 0.965 4.832 1.00 0.00 H new ATOM 0 HA HIS A 70 10.126 -1.919 4.304 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.694 0.552 2.596 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.816 -1.101 2.027 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.376 1.620 2.728 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.238 -2.525 2.018 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.950 1.020 2.193 1.00 0.00 H new ATOM 1083 N GLN A 71 12.584 -0.035 5.156 1.00 0.00 N ATOM 1084 CA GLN A 71 14.009 -0.006 5.464 1.00 0.00 C ATOM 1085 C GLN A 71 14.427 -1.267 6.212 1.00 0.00 C ATOM 1086 O GLN A 71 15.523 -1.788 6.006 1.00 0.00 O ATOM 1087 CB GLN A 71 14.336 1.224 6.314 1.00 0.00 C ATOM 1088 CG GLN A 71 15.852 1.336 6.487 1.00 0.00 C ATOM 1089 CD GLN A 71 16.191 2.571 7.314 1.00 0.00 C ATOM 1090 OE1 GLN A 71 15.315 3.384 7.605 1.00 0.00 O ATOM 1091 NE2 GLN A 71 17.420 2.760 7.713 1.00 0.00 N ATOM 0 H GLN A 71 12.048 0.738 5.550 1.00 0.00 H new ATOM 0 HA GLN A 71 14.560 0.043 4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.946 2.123 5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.853 1.145 7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.238 0.442 6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.334 1.397 5.511 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.145 2.084 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.655 3.583 8.267 1.00 0.00 H new ATOM 1100 N ASP A 72 13.551 -1.747 7.087 1.00 0.00 N ATOM 1101 CA ASP A 72 13.846 -2.944 7.867 1.00 0.00 C ATOM 1102 C ASP A 72 14.190 -4.114 6.952 1.00 0.00 C ATOM 1103 O ASP A 72 15.106 -4.886 7.235 1.00 0.00 O ATOM 1104 CB ASP A 72 12.640 -3.312 8.733 1.00 0.00 C ATOM 1105 CG ASP A 72 12.410 -2.238 9.790 1.00 0.00 C ATOM 1106 OD1 ASP A 72 13.289 -1.410 9.967 1.00 0.00 O ATOM 1107 OD2 ASP A 72 11.357 -2.257 10.407 1.00 0.00 O ATOM 0 H ASP A 72 12.639 -1.331 7.274 1.00 0.00 H new ATOM 0 HA ASP A 72 14.704 -2.734 8.505 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.752 -3.416 8.109 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.807 -4.276 9.213 1.00 0.00 H new ATOM 1112 N LEU A 73 13.453 -4.239 5.854 1.00 0.00 N ATOM 1113 CA LEU A 73 13.696 -5.323 4.908 1.00 0.00 C ATOM 1114 C LEU A 73 15.073 -5.179 4.270 1.00 0.00 C ATOM 1115 O LEU A 73 15.776 -6.167 4.059 1.00 0.00 O ATOM 1116 CB LEU A 73 12.629 -5.310 3.811 1.00 0.00 C ATOM 1117 CG LEU A 73 11.238 -5.422 4.437 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.191 -5.485 3.324 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.156 -6.695 5.283 1.00 0.00 C ATOM 0 H LEU A 73 12.691 -3.611 5.598 1.00 0.00 H new ATOM 0 HA LEU A 73 13.652 -6.267 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.703 -4.391 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.794 -6.137 3.121 1.00 0.00 H new ATOM 0 HG LEU A 73 11.052 -4.555 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.197 -5.565 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.248 -4.580 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.381 -6.355 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.164 -6.773 5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.339 -7.564 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.906 -6.656 6.073 1.00 0.00 H new ATOM 1131 N VAL A 74 15.447 -3.943 3.959 1.00 0.00 N ATOM 1132 CA VAL A 74 16.739 -3.676 3.335 1.00 0.00 C ATOM 1133 C VAL A 74 17.883 -4.074 4.261 1.00 0.00 C ATOM 1134 O VAL A 74 18.885 -4.635 3.819 1.00 0.00 O ATOM 1135 CB VAL A 74 16.854 -2.190 2.993 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.265 -1.889 2.487 1.00 0.00 C ATOM 1137 CG2 VAL A 74 15.837 -1.839 1.905 1.00 0.00 C ATOM 0 H VAL A 74 14.878 -3.114 4.127 1.00 0.00 H new ATOM 0 HA VAL A 74 16.806 -4.269 2.423 1.00 0.00 H new ATOM 0 HB VAL A 74 16.655 -1.596 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.346 -0.830 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.990 -2.140 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.466 -2.483 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 74 15.917 -0.780 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.037 -2.434 1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.831 -2.053 2.265 1.00 0.00 H new ATOM 1147 N GLU A 75 17.730 -3.773 5.546 1.00 0.00 N ATOM 1148 CA GLU A 75 18.763 -4.096 6.523 1.00 0.00 C ATOM 1149 C GLU A 75 18.965 -5.605 6.626 1.00 0.00 C ATOM 1150 O GLU A 75 20.087 -6.077 6.808 1.00 0.00 O ATOM 1151 CB GLU A 75 18.373 -3.539 7.894 1.00 0.00 C ATOM 1152 CG GLU A 75 18.321 -2.011 7.829 1.00 0.00 C ATOM 1153 CD GLU A 75 17.994 -1.441 9.205 1.00 0.00 C ATOM 1154 OE1 GLU A 75 17.664 -2.219 10.084 1.00 0.00 O ATOM 1155 OE2 GLU A 75 18.077 -0.233 9.359 1.00 0.00 O ATOM 0 H GLU A 75 16.908 -3.310 5.933 1.00 0.00 H new ATOM 0 HA GLU A 75 19.698 -3.642 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 75 17.403 -3.934 8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.095 -3.857 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 75 19.278 -1.621 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 75 17.568 -1.695 7.107 1.00 0.00 H new ATOM 1162 N ASN A 76 17.876 -6.357 6.514 1.00 0.00 N ATOM 1163 CA ASN A 76 17.956 -7.811 6.604 1.00 0.00 C ATOM 1164 C ASN A 76 18.130 -8.441 5.224 1.00 0.00 C ATOM 1165 O ASN A 76 19.128 -9.111 4.961 1.00 0.00 O ATOM 1166 CB ASN A 76 16.688 -8.361 7.262 1.00 0.00 C ATOM 1167 CG ASN A 76 16.580 -7.850 8.694 1.00 0.00 C ATOM 1168 OD1 ASN A 76 17.570 -7.394 9.269 1.00 0.00 O ATOM 1169 ND2 ASN A 76 15.431 -7.898 9.310 1.00 0.00 N ATOM 0 H ASN A 76 16.937 -5.990 6.362 1.00 0.00 H new ATOM 0 HA ASN A 76 18.826 -8.065 7.210 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.811 -8.056 6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.709 -9.451 7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.352 -7.558 10.268 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.612 -8.276 8.833 1.00 0.00 H new ATOM 1176 N ALA A 77 17.152 -8.228 4.349 1.00 0.00 N ATOM 1177 CA ALA A 77 17.208 -8.790 3.003 1.00 0.00 C ATOM 1178 C ALA A 77 17.417 -7.694 1.961 1.00 0.00 C ATOM 1179 O ALA A 77 16.963 -6.563 2.133 1.00 0.00 O ATOM 1180 CB ALA A 77 15.911 -9.542 2.699 1.00 0.00 C ATOM 0 H ALA A 77 16.318 -7.675 4.545 1.00 0.00 H new ATOM 0 HA ALA A 77 18.052 -9.478 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.959 -9.959 1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.781 -10.349 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.068 -8.855 2.767 1.00 0.00 H new ATOM 1186 N GLY A 78 18.099 -8.041 0.874 1.00 0.00 N ATOM 1187 CA GLY A 78 18.351 -7.081 -0.194 1.00 0.00 C ATOM 1188 C GLY A 78 17.159 -7.007 -1.141 1.00 0.00 C ATOM 1189 O GLY A 78 16.873 -7.958 -1.869 1.00 0.00 O ATOM 0 H GLY A 78 18.484 -8.971 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.545 -6.097 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.244 -7.370 -0.747 1.00 0.00 H new ATOM 1193 N LEU A 79 16.461 -5.877 -1.120 1.00 0.00 N ATOM 1194 CA LEU A 79 15.295 -5.695 -1.977 1.00 0.00 C ATOM 1195 C LEU A 79 15.651 -4.849 -3.195 1.00 0.00 C ATOM 1196 O LEU A 79 16.279 -3.797 -3.070 1.00 0.00 O ATOM 1197 CB LEU A 79 14.172 -5.013 -1.191 1.00 0.00 C ATOM 1198 CG LEU A 79 12.882 -5.021 -2.017 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.205 -6.391 -1.910 1.00 0.00 C ATOM 1200 CD2 LEU A 79 11.933 -3.945 -1.486 1.00 0.00 C ATOM 0 H LEU A 79 16.680 -5.079 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 79 14.960 -6.675 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.012 -5.530 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.454 -3.988 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 79 13.122 -4.818 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.288 -6.391 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.879 -7.160 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.966 -6.598 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.014 -3.949 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.698 -4.150 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.410 -2.968 -1.565 1.00 0.00 H new ATOM 1212 N THR A 80 15.244 -5.314 -4.371 1.00 0.00 N ATOM 1213 CA THR A 80 15.522 -4.588 -5.606 1.00 0.00 C ATOM 1214 C THR A 80 14.226 -4.276 -6.349 1.00 0.00 C ATOM 1215 O THR A 80 13.167 -4.819 -6.032 1.00 0.00 O ATOM 1216 CB THR A 80 16.452 -5.408 -6.502 1.00 0.00 C ATOM 1217 OG1 THR A 80 15.744 -6.521 -7.024 1.00 0.00 O ATOM 1218 CG2 THR A 80 17.650 -5.897 -5.688 1.00 0.00 C ATOM 0 H THR A 80 14.725 -6.183 -4.496 1.00 0.00 H new ATOM 0 HA THR A 80 16.011 -3.648 -5.350 1.00 0.00 H new ATOM 0 HB THR A 80 16.806 -4.785 -7.324 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.977 -6.720 -6.448 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.311 -6.481 -6.328 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.194 -5.040 -5.290 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.300 -6.519 -4.864 1.00 0.00 H new ATOM 1226 N ASP A 81 14.320 -3.388 -7.332 1.00 0.00 N ATOM 1227 CA ASP A 81 13.154 -2.987 -8.115 1.00 0.00 C ATOM 1228 C ASP A 81 12.468 -4.189 -8.763 1.00 0.00 C ATOM 1229 O ASP A 81 11.245 -4.205 -8.912 1.00 0.00 O ATOM 1230 CB ASP A 81 13.576 -1.997 -9.202 1.00 0.00 C ATOM 1231 CG ASP A 81 14.016 -0.682 -8.567 1.00 0.00 C ATOM 1232 OD1 ASP A 81 13.746 -0.496 -7.391 1.00 0.00 O ATOM 1233 OD2 ASP A 81 14.616 0.119 -9.264 1.00 0.00 O ATOM 0 H ASP A 81 15.190 -2.932 -7.607 1.00 0.00 H new ATOM 0 HA ASP A 81 12.444 -2.517 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.391 -2.417 -9.791 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.746 -1.820 -9.887 1.00 0.00 H new ATOM 1238 N VAL A 82 13.251 -5.186 -9.163 1.00 0.00 N ATOM 1239 CA VAL A 82 12.687 -6.369 -9.810 1.00 0.00 C ATOM 1240 C VAL A 82 11.529 -6.936 -8.990 1.00 0.00 C ATOM 1241 O VAL A 82 10.528 -7.386 -9.546 1.00 0.00 O ATOM 1242 CB VAL A 82 13.764 -7.442 -9.989 1.00 0.00 C ATOM 1243 CG1 VAL A 82 13.926 -8.235 -8.693 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.350 -8.390 -11.116 1.00 0.00 C ATOM 0 H VAL A 82 14.265 -5.201 -9.053 1.00 0.00 H new ATOM 0 HA VAL A 82 12.311 -6.071 -10.789 1.00 0.00 H new ATOM 0 HB VAL A 82 14.711 -6.964 -10.238 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.694 -8.997 -8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.220 -7.561 -7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.980 -8.713 -8.439 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.115 -9.156 -11.247 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.401 -8.864 -10.863 1.00 0.00 H new ATOM 0 HG23 VAL A 82 13.238 -7.827 -12.043 1.00 0.00 H new ATOM 1254 N HIS A 83 11.669 -6.908 -7.668 1.00 0.00 N ATOM 1255 CA HIS A 83 10.619 -7.420 -6.794 1.00 0.00 C ATOM 1256 C HIS A 83 9.308 -6.685 -7.053 1.00 0.00 C ATOM 1257 O HIS A 83 8.243 -7.299 -7.117 1.00 0.00 O ATOM 1258 CB HIS A 83 11.026 -7.244 -5.329 1.00 0.00 C ATOM 1259 CG HIS A 83 12.221 -8.108 -5.035 1.00 0.00 C ATOM 1260 ND1 HIS A 83 13.521 -7.646 -5.176 1.00 0.00 N ATOM 1261 CD2 HIS A 83 12.331 -9.408 -4.610 1.00 0.00 C ATOM 1262 CE1 HIS A 83 14.348 -8.652 -4.841 1.00 0.00 C ATOM 1263 NE2 HIS A 83 13.675 -9.749 -4.488 1.00 0.00 N ATOM 0 H HIS A 83 12.488 -6.541 -7.183 1.00 0.00 H new ATOM 0 HA HIS A 83 10.478 -8.480 -7.005 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.261 -6.199 -5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.197 -7.515 -4.675 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.501 -10.067 -4.402 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.426 -8.581 -4.856 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.062 -10.645 -4.192 1.00 0.00 H new ATOM 1271 N PHE A 84 9.397 -5.368 -7.205 1.00 0.00 N ATOM 1272 CA PHE A 84 8.215 -4.555 -7.462 1.00 0.00 C ATOM 1273 C PHE A 84 7.544 -4.984 -8.763 1.00 0.00 C ATOM 1274 O PHE A 84 6.324 -5.127 -8.829 1.00 0.00 O ATOM 1275 CB PHE A 84 8.608 -3.080 -7.549 1.00 0.00 C ATOM 1276 CG PHE A 84 7.367 -2.230 -7.683 1.00 0.00 C ATOM 1277 CD1 PHE A 84 6.661 -1.839 -6.540 1.00 0.00 C ATOM 1278 CD2 PHE A 84 6.923 -1.833 -8.951 1.00 0.00 C ATOM 1279 CE1 PHE A 84 5.510 -1.050 -6.664 1.00 0.00 C ATOM 1280 CE2 PHE A 84 5.773 -1.045 -9.074 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.067 -0.653 -7.930 1.00 0.00 C ATOM 0 H PHE A 84 10.270 -4.844 -7.155 1.00 0.00 H new ATOM 0 HA PHE A 84 7.512 -4.696 -6.641 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.165 -2.789 -6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.265 -2.919 -8.403 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.003 -2.145 -5.563 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.468 -2.135 -9.833 1.00 0.00 H new ATOM 0 HE1 PHE A 84 4.965 -0.748 -5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.430 -0.739 -10.051 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.180 -0.044 -8.025 1.00 0.00 H new ATOM 1291 N ASP A 85 8.353 -5.183 -9.798 1.00 0.00 N ATOM 1292 CA ASP A 85 7.833 -5.594 -11.097 1.00 0.00 C ATOM 1293 C ASP A 85 7.149 -6.955 -11.004 1.00 0.00 C ATOM 1294 O ASP A 85 6.132 -7.195 -11.653 1.00 0.00 O ATOM 1295 CB ASP A 85 8.971 -5.663 -12.115 1.00 0.00 C ATOM 1296 CG ASP A 85 8.410 -5.915 -13.510 1.00 0.00 C ATOM 1297 OD1 ASP A 85 8.020 -4.956 -14.153 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.380 -7.066 -13.915 1.00 0.00 O ATOM 0 H ASP A 85 9.366 -5.067 -9.764 1.00 0.00 H new ATOM 0 HA ASP A 85 7.098 -4.856 -11.419 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.536 -4.731 -12.104 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.664 -6.459 -11.844 1.00 0.00 H new ATOM 1303 N ALA A 86 7.721 -7.847 -10.200 1.00 0.00 N ATOM 1304 CA ALA A 86 7.164 -9.186 -10.041 1.00 0.00 C ATOM 1305 C ALA A 86 5.814 -9.140 -9.331 1.00 0.00 C ATOM 1306 O ALA A 86 4.808 -9.609 -9.864 1.00 0.00 O ATOM 1307 CB ALA A 86 8.131 -10.059 -9.240 1.00 0.00 C ATOM 0 H ALA A 86 8.563 -7.669 -9.653 1.00 0.00 H new ATOM 0 HA ALA A 86 7.018 -9.611 -11.034 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.709 -11.058 -9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.083 -10.126 -9.767 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.291 -9.617 -8.257 1.00 0.00 H new ATOM 1313 N ILE A 87 5.795 -8.577 -8.127 1.00 0.00 N ATOM 1314 CA ILE A 87 4.557 -8.485 -7.361 1.00 0.00 C ATOM 1315 C ILE A 87 3.531 -7.630 -8.099 1.00 0.00 C ATOM 1316 O ILE A 87 2.326 -7.846 -7.975 1.00 0.00 O ATOM 1317 CB ILE A 87 4.834 -7.885 -5.980 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.619 -8.103 -5.075 1.00 0.00 C ATOM 1319 CG2 ILE A 87 5.104 -6.387 -6.114 1.00 0.00 C ATOM 1320 CD1 ILE A 87 4.001 -7.800 -3.625 1.00 0.00 C ATOM 0 H ILE A 87 6.614 -8.181 -7.664 1.00 0.00 H new ATOM 0 HA ILE A 87 4.153 -9.490 -7.240 1.00 0.00 H new ATOM 0 HB ILE A 87 5.706 -8.372 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.798 -7.458 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.267 -9.131 -5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.301 -5.963 -5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.970 -6.229 -6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.234 -5.898 -6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.136 -7.955 -2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.808 -8.464 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.332 -6.765 -3.545 1.00 0.00 H new ATOM 1332 N ALA A 88 4.018 -6.661 -8.867 1.00 0.00 N ATOM 1333 CA ALA A 88 3.131 -5.783 -9.621 1.00 0.00 C ATOM 1334 C ALA A 88 2.377 -6.571 -10.687 1.00 0.00 C ATOM 1335 O ALA A 88 1.192 -6.334 -10.927 1.00 0.00 O ATOM 1336 CB ALA A 88 3.941 -4.668 -10.286 1.00 0.00 C ATOM 0 H ALA A 88 5.012 -6.465 -8.983 1.00 0.00 H new ATOM 0 HA ALA A 88 2.410 -5.346 -8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.271 -4.017 -10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.456 -4.087 -9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.674 -5.105 -10.964 1.00 0.00 H new ATOM 1342 N GLU A 89 3.071 -7.509 -11.324 1.00 0.00 N ATOM 1343 CA GLU A 89 2.456 -8.327 -12.362 1.00 0.00 C ATOM 1344 C GLU A 89 1.301 -9.141 -11.790 1.00 0.00 C ATOM 1345 O GLU A 89 0.278 -9.334 -12.448 1.00 0.00 O ATOM 1346 CB GLU A 89 3.496 -9.271 -12.968 1.00 0.00 C ATOM 1347 CG GLU A 89 2.880 -10.022 -14.150 1.00 0.00 C ATOM 1348 CD GLU A 89 3.875 -11.039 -14.698 1.00 0.00 C ATOM 1349 OE1 GLU A 89 4.957 -11.136 -14.144 1.00 0.00 O ATOM 1350 OE2 GLU A 89 3.540 -11.705 -15.663 1.00 0.00 O ATOM 0 H GLU A 89 4.052 -7.720 -11.141 1.00 0.00 H new ATOM 0 HA GLU A 89 2.070 -7.665 -13.137 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.367 -8.705 -13.298 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.842 -9.979 -12.215 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.967 -10.528 -13.834 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.600 -9.317 -14.933 1.00 0.00 H new ATOM 1357 N ASN A 90 1.471 -9.619 -10.561 1.00 0.00 N ATOM 1358 CA ASN A 90 0.434 -10.411 -9.912 1.00 0.00 C ATOM 1359 C ASN A 90 -0.863 -9.616 -9.812 1.00 0.00 C ATOM 1360 O ASN A 90 -1.954 -10.167 -9.971 1.00 0.00 O ATOM 1361 CB ASN A 90 0.892 -10.825 -8.512 1.00 0.00 C ATOM 1362 CG ASN A 90 2.104 -11.744 -8.610 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.371 -12.310 -9.670 1.00 0.00 O ATOM 1364 ND2 ASN A 90 2.859 -11.928 -7.561 1.00 0.00 N ATOM 0 H ASN A 90 2.310 -9.473 -9.999 1.00 0.00 H new ATOM 0 HA ASN A 90 0.254 -11.303 -10.513 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.142 -9.941 -7.926 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.081 -11.334 -7.991 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.672 -12.542 -7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.636 -11.458 -6.684 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.738 -8.321 -9.546 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.909 -7.460 -9.427 1.00 0.00 C ATOM 1373 C LEU A 91 -2.698 -7.446 -10.731 1.00 0.00 C ATOM 1374 O LEU A 91 -3.929 -7.438 -10.723 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.476 -6.035 -9.072 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.713 -5.169 -8.817 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.417 -5.637 -7.541 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.284 -3.709 -8.654 1.00 0.00 C ATOM 0 H LEU A 91 0.155 -7.847 -9.410 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.547 -7.852 -8.635 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.840 -6.048 -8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.884 -5.611 -9.884 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.398 -5.259 -9.660 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.297 -5.018 -7.363 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.722 -6.677 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.734 -5.549 -6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.162 -3.090 -8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.599 -3.623 -7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.785 -3.373 -9.563 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.982 -7.441 -11.852 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.628 -7.426 -13.159 1.00 0.00 C ATOM 1392 C VAL A 92 -3.471 -8.681 -13.360 1.00 0.00 C ATOM 1393 O VAL A 92 -4.591 -8.612 -13.865 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.573 -7.337 -14.262 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -2.243 -7.507 -15.626 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.885 -5.971 -14.199 1.00 0.00 C ATOM 0 H VAL A 92 -0.962 -7.447 -11.881 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.281 -6.554 -13.208 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.833 -8.125 -14.121 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.490 -7.443 -16.412 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.734 -8.479 -15.672 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.983 -6.720 -15.768 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.132 -5.906 -14.985 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.626 -5.184 -14.340 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.406 -5.849 -13.227 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.924 -9.824 -12.963 1.00 0.00 N ATOM 1407 CA LEU A 93 -3.637 -11.089 -13.107 1.00 0.00 C ATOM 1408 C LEU A 93 -4.923 -11.076 -12.288 1.00 0.00 C ATOM 1409 O LEU A 93 -5.944 -11.622 -12.708 1.00 0.00 O ATOM 1410 CB LEU A 93 -2.748 -12.246 -12.646 1.00 0.00 C ATOM 1411 CG LEU A 93 -1.440 -12.241 -13.441 1.00 0.00 C ATOM 1412 CD1 LEU A 93 -0.581 -13.434 -13.019 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -1.750 -12.343 -14.937 1.00 0.00 C ATOM 0 H LEU A 93 -1.998 -9.902 -12.543 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.891 -11.223 -14.159 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.537 -12.153 -11.581 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.267 -13.194 -12.787 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.900 -11.315 -13.243 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.350 -13.430 -13.585 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.359 -13.364 -11.954 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.122 -14.360 -13.216 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.818 -12.339 -15.503 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.291 -13.269 -15.134 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.362 -11.494 -15.240 1.00 0.00 H new ATOM 1425 N THR A 94 -4.867 -10.454 -11.116 1.00 0.00 N ATOM 1426 CA THR A 94 -6.035 -10.380 -10.245 1.00 0.00 C ATOM 1427 C THR A 94 -7.187 -9.670 -10.948 1.00 0.00 C ATOM 1428 O THR A 94 -8.340 -10.090 -10.849 1.00 0.00 O ATOM 1429 CB THR A 94 -5.681 -9.630 -8.960 1.00 0.00 C ATOM 1430 OG1 THR A 94 -4.551 -10.243 -8.351 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.868 -9.675 -7.997 1.00 0.00 C ATOM 0 H THR A 94 -4.033 -9.997 -10.749 1.00 0.00 H new ATOM 0 HA THR A 94 -6.345 -11.396 -10.001 1.00 0.00 H new ATOM 0 HB THR A 94 -5.448 -8.592 -9.198 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.746 -10.030 -8.867 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.614 -9.140 -7.082 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.733 -9.205 -8.464 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.103 -10.712 -7.758 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.868 -8.593 -11.657 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.888 -7.833 -12.372 1.00 0.00 C ATOM 1441 C LEU A 95 -8.544 -8.693 -13.446 1.00 0.00 C ATOM 1442 O LEU A 95 -9.745 -8.583 -13.693 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.260 -6.595 -13.019 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.577 -5.741 -11.947 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -6.012 -4.473 -12.590 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.596 -5.351 -10.874 1.00 0.00 C ATOM 0 H LEU A 95 -5.920 -8.228 -11.752 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.650 -7.522 -11.657 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.534 -6.896 -13.774 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.026 -6.011 -13.529 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.769 -6.313 -11.491 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.526 -3.864 -11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.285 -4.746 -13.355 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.822 -3.904 -13.046 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.108 -4.743 -10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.404 -4.780 -11.330 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.003 -6.252 -10.414 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.751 -9.550 -14.080 1.00 0.00 N ATOM 1459 CA GLN A 96 -8.271 -10.424 -15.125 1.00 0.00 C ATOM 1460 C GLN A 96 -9.366 -11.327 -14.570 1.00 0.00 C ATOM 1461 O GLN A 96 -10.352 -11.614 -15.248 1.00 0.00 O ATOM 1462 CB GLN A 96 -7.140 -11.279 -15.701 1.00 0.00 C ATOM 1463 CG GLN A 96 -6.119 -10.375 -16.395 1.00 0.00 C ATOM 1464 CD GLN A 96 -4.959 -11.210 -16.926 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -4.788 -12.362 -16.528 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -4.147 -10.695 -17.808 1.00 0.00 N ATOM 0 H GLN A 96 -6.754 -9.658 -13.891 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.694 -9.805 -15.916 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.657 -11.846 -14.905 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.542 -12.003 -16.410 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.595 -9.837 -17.214 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.748 -9.626 -15.695 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.290 -9.740 -18.137 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.369 -11.247 -18.169 1.00 0.00 H new ATOM 1475 N GLU A 97 -9.185 -11.769 -13.330 1.00 0.00 N ATOM 1476 CA GLU A 97 -10.165 -12.636 -12.687 1.00 0.00 C ATOM 1477 C GLU A 97 -11.493 -11.906 -12.514 1.00 0.00 C ATOM 1478 O GLU A 97 -12.560 -12.520 -12.544 1.00 0.00 O ATOM 1479 CB GLU A 97 -9.646 -13.087 -11.320 1.00 0.00 C ATOM 1480 CG GLU A 97 -8.393 -13.945 -11.508 1.00 0.00 C ATOM 1481 CD GLU A 97 -7.902 -14.452 -10.157 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -8.423 -14.000 -9.151 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -7.010 -15.286 -10.148 1.00 0.00 O ATOM 0 H GLU A 97 -8.374 -11.543 -12.754 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.323 -13.509 -13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.416 -12.219 -10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.414 -13.656 -10.797 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.614 -14.787 -12.164 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.611 -13.360 -11.993 1.00 0.00 H new ATOM 1490 N LEU A 98 -11.417 -10.592 -12.329 1.00 0.00 N ATOM 1491 CA LEU A 98 -12.616 -9.783 -12.146 1.00 0.00 C ATOM 1492 C LEU A 98 -13.245 -9.439 -13.493 1.00 0.00 C ATOM 1493 O LEU A 98 -14.254 -8.738 -13.555 1.00 0.00 O ATOM 1494 CB LEU A 98 -12.266 -8.494 -11.399 1.00 0.00 C ATOM 1495 CG LEU A 98 -11.562 -8.836 -10.085 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -11.286 -7.549 -9.304 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -12.455 -9.754 -9.249 1.00 0.00 C ATOM 0 H LEU A 98 -10.543 -10.067 -12.302 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.334 -10.359 -11.562 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.621 -7.868 -12.016 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.171 -7.920 -11.199 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.621 -9.342 -10.300 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.784 -7.792 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.649 -6.893 -9.897 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.228 -7.044 -9.090 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.952 -9.997 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.397 -9.249 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.654 -10.672 -9.803 1.00 0.00 H new ATOM 1509 N ASN A 99 -12.644 -9.936 -14.568 1.00 0.00 N ATOM 1510 CA ASN A 99 -13.159 -9.672 -15.906 1.00 0.00 C ATOM 1511 C ASN A 99 -13.133 -8.176 -16.207 1.00 0.00 C ATOM 1512 O ASN A 99 -14.134 -7.600 -16.632 1.00 0.00 O ATOM 1513 CB ASN A 99 -14.592 -10.194 -16.024 1.00 0.00 C ATOM 1514 CG ASN A 99 -14.982 -10.320 -17.493 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -14.171 -10.048 -18.378 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -16.184 -10.720 -17.807 1.00 0.00 N ATOM 0 H ASN A 99 -11.807 -10.519 -14.540 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.524 -10.186 -16.628 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.676 -11.163 -15.532 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -15.277 -9.517 -15.514 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -16.453 -10.808 -18.787 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -16.855 -10.945 -17.072 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.981 -7.553 -15.981 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.831 -6.124 -16.227 1.00 0.00 C ATOM 1525 C VAL A 100 -11.069 -5.884 -17.528 1.00 0.00 C ATOM 1526 O VAL A 100 -10.091 -6.571 -17.820 1.00 0.00 O ATOM 1527 CB VAL A 100 -11.083 -5.467 -15.066 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -11.000 -3.957 -15.297 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.832 -5.740 -13.759 1.00 0.00 C ATOM 0 H VAL A 100 -11.141 -8.013 -15.629 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.824 -5.683 -16.312 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.076 -5.880 -15.005 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.467 -3.491 -14.468 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.468 -3.760 -16.228 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.006 -3.543 -15.360 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.300 -5.272 -12.930 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.839 -5.327 -13.823 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.891 -6.815 -13.591 1.00 0.00 H new ATOM 1539 N SER A 101 -11.529 -4.910 -18.307 1.00 0.00 N ATOM 1540 CA SER A 101 -10.886 -4.593 -19.578 1.00 0.00 C ATOM 1541 C SER A 101 -9.409 -4.275 -19.368 1.00 0.00 C ATOM 1542 O SER A 101 -9.030 -3.661 -18.370 1.00 0.00 O ATOM 1543 CB SER A 101 -11.580 -3.399 -20.233 1.00 0.00 C ATOM 1544 OG SER A 101 -11.011 -3.172 -21.514 1.00 0.00 O ATOM 0 H SER A 101 -12.338 -4.331 -18.083 1.00 0.00 H new ATOM 0 HA SER A 101 -10.969 -5.462 -20.231 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.649 -3.591 -20.326 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.468 -2.512 -19.610 1.00 0.00 H new ATOM 0 HG SER A 101 -11.455 -2.408 -21.938 1.00 0.00 H new ATOM 1550 N GLN A 102 -8.581 -4.704 -20.314 1.00 0.00 N ATOM 1551 CA GLN A 102 -7.143 -4.470 -20.229 1.00 0.00 C ATOM 1552 C GLN A 102 -6.833 -2.979 -20.139 1.00 0.00 C ATOM 1553 O GLN A 102 -5.907 -2.571 -19.439 1.00 0.00 O ATOM 1554 CB GLN A 102 -6.447 -5.061 -21.457 1.00 0.00 C ATOM 1555 CG GLN A 102 -4.931 -5.001 -21.265 1.00 0.00 C ATOM 1556 CD GLN A 102 -4.499 -6.009 -20.206 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -4.935 -7.161 -20.230 1.00 0.00 O ATOM 1558 NE2 GLN A 102 -3.662 -5.645 -19.274 1.00 0.00 N ATOM 0 H GLN A 102 -8.879 -5.214 -21.146 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.774 -4.955 -19.325 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.764 -6.093 -21.606 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.733 -4.507 -22.351 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.428 -5.214 -22.208 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.634 -3.996 -20.965 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.302 -4.691 -19.256 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.367 -6.315 -18.563 1.00 0.00 H new ATOM 1567 N ASP A 103 -7.605 -2.168 -20.856 1.00 0.00 N ATOM 1568 CA ASP A 103 -7.386 -0.725 -20.850 1.00 0.00 C ATOM 1569 C ASP A 103 -7.429 -0.179 -19.426 1.00 0.00 C ATOM 1570 O ASP A 103 -6.603 0.651 -19.046 1.00 0.00 O ATOM 1571 CB ASP A 103 -8.457 -0.033 -21.694 1.00 0.00 C ATOM 1572 CG ASP A 103 -8.285 -0.408 -23.162 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -7.251 -0.961 -23.495 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -9.190 -0.135 -23.933 1.00 0.00 O ATOM 0 H ASP A 103 -8.379 -2.480 -21.442 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.401 -0.525 -21.273 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.449 -0.325 -21.349 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.384 1.048 -21.575 1.00 0.00 H new ATOM 1579 N LEU A 104 -8.391 -0.653 -18.641 1.00 0.00 N ATOM 1580 CA LEU A 104 -8.520 -0.205 -17.259 1.00 0.00 C ATOM 1581 C LEU A 104 -7.328 -0.676 -16.433 1.00 0.00 C ATOM 1582 O LEU A 104 -6.850 0.037 -15.551 1.00 0.00 O ATOM 1583 CB LEU A 104 -9.814 -0.747 -16.650 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.014 -0.256 -17.465 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.304 -0.791 -16.844 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.045 1.273 -17.458 1.00 0.00 C ATOM 0 H LEU A 104 -9.086 -1.340 -18.934 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.547 0.885 -17.250 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.792 -1.837 -16.637 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.906 -0.418 -15.615 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.926 -0.614 -18.491 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.159 -0.442 -17.423 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.284 -1.881 -16.847 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.390 -0.432 -15.818 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.899 1.622 -18.038 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.133 1.630 -16.432 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.125 1.658 -17.899 1.00 0.00 H new ATOM 1598 N ILE A 105 -6.854 -1.883 -16.727 1.00 0.00 N ATOM 1599 CA ILE A 105 -5.717 -2.443 -16.007 1.00 0.00 C ATOM 1600 C ILE A 105 -4.483 -1.565 -16.183 1.00 0.00 C ATOM 1601 O ILE A 105 -3.721 -1.352 -15.239 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.419 -3.853 -16.520 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.646 -4.743 -16.302 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -4.228 -4.433 -15.757 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -6.400 -6.115 -16.931 1.00 0.00 C ATOM 0 H ILE A 105 -7.237 -2.488 -17.454 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.968 -2.486 -14.947 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.183 -3.811 -17.583 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.845 -4.851 -15.236 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.527 -4.280 -16.746 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.016 -5.438 -16.123 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.354 -3.799 -15.910 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.463 -4.476 -14.694 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.273 -6.748 -16.776 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.222 -5.998 -18.000 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.529 -6.577 -16.466 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.291 -1.058 -17.396 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.144 -0.205 -17.683 1.00 0.00 C ATOM 1619 C ASP A 106 -3.147 1.019 -16.773 1.00 0.00 C ATOM 1620 O ASP A 106 -2.099 1.445 -16.288 1.00 0.00 O ATOM 1621 CB ASP A 106 -3.178 0.241 -19.145 1.00 0.00 C ATOM 1622 CG ASP A 106 -2.955 -0.957 -20.061 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -2.565 -1.998 -19.558 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -3.177 -0.817 -21.252 1.00 0.00 O ATOM 0 H ASP A 106 -4.910 -1.221 -18.190 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.234 -0.776 -17.500 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.137 0.707 -19.369 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.409 0.993 -19.322 1.00 0.00 H new ATOM 1629 N GLU A 107 -4.330 1.578 -16.544 1.00 0.00 N ATOM 1630 CA GLU A 107 -4.453 2.752 -15.687 1.00 0.00 C ATOM 1631 C GLU A 107 -4.000 2.424 -14.269 1.00 0.00 C ATOM 1632 O GLU A 107 -3.388 3.252 -13.594 1.00 0.00 O ATOM 1633 CB GLU A 107 -5.905 3.234 -15.664 1.00 0.00 C ATOM 1634 CG GLU A 107 -5.996 4.543 -14.877 1.00 0.00 C ATOM 1635 CD GLU A 107 -7.452 4.982 -14.761 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -8.307 4.268 -15.257 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -7.689 6.027 -14.177 1.00 0.00 O ATOM 0 H GLU A 107 -5.210 1.242 -16.935 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.817 3.542 -16.088 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.266 3.383 -16.682 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.543 2.478 -15.207 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.567 4.410 -13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -5.413 5.318 -15.375 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.303 1.209 -13.823 1.00 0.00 N ATOM 1645 CA VAL A 108 -3.922 0.777 -12.484 1.00 0.00 C ATOM 1646 C VAL A 108 -2.404 0.739 -12.344 1.00 0.00 C ATOM 1647 O VAL A 108 -1.856 1.118 -11.309 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.498 -0.611 -12.200 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -3.966 -1.120 -10.858 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.024 -0.528 -12.143 1.00 0.00 C ATOM 0 H VAL A 108 -4.809 0.510 -14.367 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.323 1.491 -11.765 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.200 -1.296 -12.993 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.376 -2.109 -10.655 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.878 -1.179 -10.897 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.264 -0.434 -10.065 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.435 -1.517 -11.941 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.322 0.158 -11.350 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.405 -0.165 -13.098 1.00 0.00 H new ATOM 1660 N VAL A 109 -1.732 0.278 -13.394 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.276 0.190 -13.378 1.00 0.00 C ATOM 1662 C VAL A 109 0.345 1.571 -13.191 1.00 0.00 C ATOM 1663 O VAL A 109 1.322 1.729 -12.458 1.00 0.00 O ATOM 1664 CB VAL A 109 0.224 -0.422 -14.688 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.750 -0.337 -14.741 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.208 -1.888 -14.762 1.00 0.00 C ATOM 0 H VAL A 109 -2.168 -0.038 -14.260 1.00 0.00 H new ATOM 0 HA VAL A 109 0.020 -0.444 -12.543 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.199 0.125 -15.530 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.106 -0.773 -15.674 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.058 0.707 -14.687 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.174 -0.884 -13.899 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.148 -2.325 -15.695 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.216 -2.435 -13.920 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.296 -1.949 -14.724 1.00 0.00 H new ATOM 1676 N THR A 110 -0.224 2.567 -13.861 1.00 0.00 N ATOM 1677 CA THR A 110 0.287 3.930 -13.763 1.00 0.00 C ATOM 1678 C THR A 110 0.233 4.430 -12.322 1.00 0.00 C ATOM 1679 O THR A 110 1.160 5.086 -11.850 1.00 0.00 O ATOM 1680 CB THR A 110 -0.535 4.861 -14.658 1.00 0.00 C ATOM 1681 OG1 THR A 110 -0.542 4.354 -15.986 1.00 0.00 O ATOM 1682 CG2 THR A 110 0.085 6.259 -14.647 1.00 0.00 C ATOM 0 H THR A 110 -1.033 2.458 -14.473 1.00 0.00 H new ATOM 0 HA THR A 110 1.326 3.928 -14.092 1.00 0.00 H new ATOM 0 HB THR A 110 -1.558 4.916 -14.285 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.069 4.948 -16.560 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.500 6.922 -15.284 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.090 6.647 -13.628 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.108 6.206 -15.021 1.00 0.00 H new ATOM 1690 N ILE A 111 -0.859 4.119 -11.629 1.00 0.00 N ATOM 1691 CA ILE A 111 -1.016 4.551 -10.244 1.00 0.00 C ATOM 1692 C ILE A 111 0.124 4.019 -9.381 1.00 0.00 C ATOM 1693 O ILE A 111 0.768 4.774 -8.653 1.00 0.00 O ATOM 1694 CB ILE A 111 -2.352 4.055 -9.689 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -3.496 4.638 -10.521 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -2.500 4.505 -8.235 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -4.826 4.044 -10.050 1.00 0.00 C ATOM 0 H ILE A 111 -1.640 3.576 -11.998 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.995 5.641 -10.221 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.384 2.967 -9.737 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.515 5.723 -10.422 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.341 4.417 -11.577 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.452 4.151 -7.840 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.685 4.091 -7.641 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.469 5.593 -8.186 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.641 4.460 -10.643 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.804 2.961 -10.172 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.981 4.288 -8.999 1.00 0.00 H new ATOM 1709 N VAL A 112 0.369 2.716 -9.472 1.00 0.00 N ATOM 1710 CA VAL A 112 1.438 2.095 -8.697 1.00 0.00 C ATOM 1711 C VAL A 112 2.780 2.283 -9.396 1.00 0.00 C ATOM 1712 O VAL A 112 3.837 2.167 -8.776 1.00 0.00 O ATOM 1713 CB VAL A 112 1.154 0.603 -8.516 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.220 0.420 -7.869 1.00 0.00 C ATOM 1715 CG2 VAL A 112 1.170 -0.087 -9.881 1.00 0.00 C ATOM 0 H VAL A 112 -0.153 2.074 -10.069 1.00 0.00 H new ATOM 0 HA VAL A 112 1.481 2.574 -7.719 1.00 0.00 H new ATOM 0 HB VAL A 112 1.918 0.162 -7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.423 -0.643 -7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.233 0.913 -6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.985 0.860 -8.509 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.968 -1.150 -9.754 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.405 0.354 -10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 112 2.149 0.043 -10.343 1.00 0.00 H new ATOM 1725 N GLY A 113 2.728 2.571 -10.692 1.00 0.00 N ATOM 1726 CA GLY A 113 3.943 2.771 -11.472 1.00 0.00 C ATOM 1727 C GLY A 113 4.393 4.228 -11.421 1.00 0.00 C ATOM 1728 O GLY A 113 4.403 4.919 -12.439 1.00 0.00 O ATOM 0 H GLY A 113 1.862 2.671 -11.222 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.735 2.128 -11.088 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.767 2.477 -12.507 1.00 0.00 H new ATOM 1732 N SER A 114 4.765 4.688 -10.231 1.00 0.00 N ATOM 1733 CA SER A 114 5.215 6.065 -10.063 1.00 0.00 C ATOM 1734 C SER A 114 6.677 6.098 -9.630 1.00 0.00 C ATOM 1735 O SER A 114 7.131 5.235 -8.879 1.00 0.00 O ATOM 1736 CB SER A 114 4.354 6.773 -9.017 1.00 0.00 C ATOM 1737 OG SER A 114 2.994 6.738 -9.427 1.00 0.00 O ATOM 0 H SER A 114 4.764 4.133 -9.375 1.00 0.00 H new ATOM 0 HA SER A 114 5.118 6.580 -11.019 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.466 6.287 -8.048 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.683 7.805 -8.896 1.00 0.00 H new ATOM 0 HG SER A 114 2.539 5.990 -8.987 1.00 0.00 H new ATOM 1743 N VAL A 115 7.409 7.095 -10.112 1.00 0.00 N ATOM 1744 CA VAL A 115 8.822 7.228 -9.772 1.00 0.00 C ATOM 1745 C VAL A 115 9.001 7.474 -8.278 1.00 0.00 C ATOM 1746 O VAL A 115 9.905 6.918 -7.653 1.00 0.00 O ATOM 1747 CB VAL A 115 9.442 8.385 -10.558 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.872 8.626 -10.070 1.00 0.00 C ATOM 1749 CG2 VAL A 115 9.465 8.034 -12.047 1.00 0.00 C ATOM 0 H VAL A 115 7.052 7.819 -10.735 1.00 0.00 H new ATOM 0 HA VAL A 115 9.324 6.297 -10.035 1.00 0.00 H new ATOM 0 HB VAL A 115 8.849 9.287 -10.405 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.314 9.450 -10.630 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.857 8.875 -9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.465 7.725 -10.223 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.906 8.858 -12.608 1.00 0.00 H new ATOM 0 HG22 VAL A 115 10.058 7.132 -12.199 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.447 7.862 -12.396 1.00 0.00 H new ATOM 1759 N GLN A 116 8.143 8.315 -7.711 1.00 0.00 N ATOM 1760 CA GLN A 116 8.227 8.630 -6.290 1.00 0.00 C ATOM 1761 C GLN A 116 8.083 7.371 -5.443 1.00 0.00 C ATOM 1762 O GLN A 116 8.832 7.165 -4.488 1.00 0.00 O ATOM 1763 CB GLN A 116 7.129 9.626 -5.911 1.00 0.00 C ATOM 1764 CG GLN A 116 7.325 10.077 -4.462 1.00 0.00 C ATOM 1765 CD GLN A 116 6.249 11.086 -4.080 1.00 0.00 C ATOM 1766 OE1 GLN A 116 5.495 11.547 -4.937 1.00 0.00 O ATOM 1767 NE2 GLN A 116 6.130 11.459 -2.835 1.00 0.00 N ATOM 0 H GLN A 116 7.388 8.787 -8.208 1.00 0.00 H new ATOM 0 HA GLN A 116 9.205 9.070 -6.097 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.159 10.487 -6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.149 9.165 -6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.281 9.216 -3.795 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.312 10.523 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.755 11.076 -2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.412 12.133 -2.571 1.00 0.00 H new ATOM 1776 N HIS A 117 7.116 6.530 -5.796 1.00 0.00 N ATOM 1777 CA HIS A 117 6.888 5.296 -5.056 1.00 0.00 C ATOM 1778 C HIS A 117 8.094 4.371 -5.182 1.00 0.00 C ATOM 1779 O HIS A 117 8.531 3.765 -4.204 1.00 0.00 O ATOM 1780 CB HIS A 117 5.637 4.590 -5.581 1.00 0.00 C ATOM 1781 CG HIS A 117 5.195 3.556 -4.584 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.378 3.724 -3.221 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.563 2.346 -4.731 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.867 2.644 -2.604 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.354 1.768 -3.480 1.00 0.00 N ATOM 0 H HIS A 117 6.484 6.679 -6.582 1.00 0.00 H new ATOM 0 HA HIS A 117 6.742 5.545 -4.005 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.840 5.314 -5.749 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.847 4.119 -6.541 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.821 4.523 -2.767 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.272 1.908 -5.674 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.869 2.500 -1.534 1.00 0.00 H new ATOM 1793 N ARG A 118 8.626 4.269 -6.395 1.00 0.00 N ATOM 1794 CA ARG A 118 9.781 3.417 -6.642 1.00 0.00 C ATOM 1795 C ARG A 118 10.949 3.825 -5.749 1.00 0.00 C ATOM 1796 O ARG A 118 11.642 2.974 -5.190 1.00 0.00 O ATOM 1797 CB ARG A 118 10.196 3.522 -8.111 1.00 0.00 C ATOM 1798 CG ARG A 118 11.349 2.556 -8.389 1.00 0.00 C ATOM 1799 CD ARG A 118 11.798 2.707 -9.843 1.00 0.00 C ATOM 1800 NE ARG A 118 12.822 1.718 -10.162 1.00 0.00 N ATOM 1801 CZ ARG A 118 13.467 1.747 -11.323 1.00 0.00 C ATOM 1802 NH1 ARG A 118 13.189 2.671 -12.202 1.00 0.00 N ATOM 1803 NH2 ARG A 118 14.379 0.851 -11.586 1.00 0.00 N ATOM 0 H ARG A 118 8.278 4.763 -7.217 1.00 0.00 H new ATOM 0 HA ARG A 118 9.509 2.387 -6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 118 9.349 3.288 -8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 118 10.500 4.543 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 118 12.181 2.763 -7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 118 11.033 1.530 -8.199 1.00 0.00 H new ATOM 0 HD2 ARG A 118 10.944 2.584 -10.509 1.00 0.00 H new ATOM 0 HD3 ARG A 118 12.189 3.711 -10.008 1.00 0.00 H new ATOM 0 HE ARG A 118 13.047 0.992 -9.482 1.00 0.00 H new ATOM 0 HH11 ARG A 118 12.476 3.371 -11.998 1.00 0.00 H new ATOM 0 HH12 ARG A 118 13.685 2.693 -13.093 1.00 0.00 H new ATOM 0 HH21 ARG A 118 14.597 0.128 -10.900 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.874 0.874 -12.478 1.00 0.00 H new ATOM 1817 N ASN A 119 11.160 5.131 -5.618 1.00 0.00 N ATOM 1818 CA ASN A 119 12.247 5.637 -4.787 1.00 0.00 C ATOM 1819 C ASN A 119 12.049 5.217 -3.333 1.00 0.00 C ATOM 1820 O ASN A 119 13.007 4.874 -2.640 1.00 0.00 O ATOM 1821 CB ASN A 119 12.304 7.162 -4.875 1.00 0.00 C ATOM 1822 CG ASN A 119 12.661 7.589 -6.295 1.00 0.00 C ATOM 1823 OD1 ASN A 119 13.152 6.781 -7.083 1.00 0.00 O ATOM 1824 ND2 ASN A 119 12.442 8.820 -6.671 1.00 0.00 N ATOM 0 H ASN A 119 10.599 5.852 -6.072 1.00 0.00 H new ATOM 0 HA ASN A 119 13.184 5.217 -5.151 1.00 0.00 H new ATOM 0 HB2 ASN A 119 11.342 7.587 -4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.044 7.548 -4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.678 9.113 -7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.035 9.488 -6.017 1.00 0.00 H new ATOM 1831 N ASP A 120 10.799 5.248 -2.880 1.00 0.00 N ATOM 1832 CA ASP A 120 10.486 4.869 -1.506 1.00 0.00 C ATOM 1833 C ASP A 120 10.875 3.418 -1.247 1.00 0.00 C ATOM 1834 O ASP A 120 11.368 3.079 -0.170 1.00 0.00 O ATOM 1835 CB ASP A 120 8.990 5.054 -1.242 1.00 0.00 C ATOM 1836 CG ASP A 120 8.632 6.535 -1.292 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.543 7.346 -1.292 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.450 6.837 -1.330 1.00 0.00 O ATOM 0 H ASP A 120 9.993 5.529 -3.438 1.00 0.00 H new ATOM 0 HA ASP A 120 11.056 5.510 -0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.411 4.506 -1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 120 8.730 4.641 -0.267 1.00 0.00 H new ATOM 1843 N VAL A 121 10.648 2.564 -2.239 1.00 0.00 N ATOM 1844 CA VAL A 121 10.977 1.150 -2.108 1.00 0.00 C ATOM 1845 C VAL A 121 12.478 0.965 -1.908 1.00 0.00 C ATOM 1846 O VAL A 121 12.909 0.151 -1.092 1.00 0.00 O ATOM 1847 CB VAL A 121 10.525 0.393 -3.359 1.00 0.00 C ATOM 1848 CG1 VAL A 121 10.996 -1.062 -3.277 1.00 0.00 C ATOM 1849 CG2 VAL A 121 8.998 0.429 -3.450 1.00 0.00 C ATOM 0 H VAL A 121 10.240 2.824 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 121 10.457 0.752 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 121 10.955 0.863 -4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.673 -1.600 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.084 -1.089 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.567 -1.534 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.674 -0.110 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.570 -0.042 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.661 1.464 -3.509 1.00 0.00 H new ATOM 1859 N LEU A 122 13.268 1.728 -2.657 1.00 0.00 N ATOM 1860 CA LEU A 122 14.720 1.640 -2.553 1.00 0.00 C ATOM 1861 C LEU A 122 15.235 2.549 -1.442 1.00 0.00 C ATOM 1862 O LEU A 122 16.424 2.541 -1.121 1.00 0.00 O ATOM 1863 CB LEU A 122 15.365 2.040 -3.882 1.00 0.00 C ATOM 1864 CG LEU A 122 14.808 1.166 -5.007 1.00 0.00 C ATOM 1865 CD1 LEU A 122 15.503 1.525 -6.321 1.00 0.00 C ATOM 1866 CD2 LEU A 122 15.063 -0.308 -4.685 1.00 0.00 C ATOM 0 H LEU A 122 12.931 2.409 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 122 14.985 0.610 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.166 3.091 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.447 1.926 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 122 13.736 1.337 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 122 15.107 0.903 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 122 15.323 2.575 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 122 16.575 1.354 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.666 -0.930 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.135 -0.479 -4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.570 -0.566 -3.748 1.00 0.00 H new ATOM 1878 N ASN A 123 14.333 3.332 -0.859 1.00 0.00 N ATOM 1879 CA ASN A 123 14.708 4.245 0.216 1.00 0.00 C ATOM 1880 C ASN A 123 15.786 5.215 -0.260 1.00 0.00 C ATOM 1881 O ASN A 123 16.758 5.474 0.449 1.00 0.00 O ATOM 1882 CB ASN A 123 15.224 3.455 1.420 1.00 0.00 C ATOM 1883 CG ASN A 123 14.130 2.534 1.947 1.00 0.00 C ATOM 1884 OD1 ASN A 123 12.951 2.739 1.656 1.00 0.00 O ATOM 1885 ND2 ASN A 123 14.450 1.525 2.710 1.00 0.00 N ATOM 0 H ASN A 123 13.345 3.354 -1.110 1.00 0.00 H new ATOM 0 HA ASN A 123 13.825 4.813 0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.097 2.869 1.134 1.00 0.00 H new ATOM 0 HB3 ASN A 123 15.543 4.140 2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.723 0.904 3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.427 1.357 2.950 1.00 0.00 H new ATOM 1892 N ARG A 124 15.605 5.748 -1.463 1.00 0.00 N ATOM 1893 CA ARG A 124 16.569 6.688 -2.024 1.00 0.00 C ATOM 1894 C ARG A 124 15.999 8.102 -2.026 1.00 0.00 C ATOM 1895 O ARG A 124 14.823 8.247 -1.736 1.00 0.00 O ATOM 1896 CB ARG A 124 16.927 6.278 -3.454 1.00 0.00 C ATOM 1897 CG ARG A 124 17.626 4.918 -3.436 1.00 0.00 C ATOM 1898 CD ARG A 124 18.046 4.540 -4.859 1.00 0.00 C ATOM 1899 NE ARG A 124 19.115 5.417 -5.320 1.00 0.00 N ATOM 1900 CZ ARG A 124 19.550 5.369 -6.575 1.00 0.00 C ATOM 1901 NH1 ARG A 124 19.018 4.526 -7.418 1.00 0.00 N ATOM 1902 NH2 ARG A 124 20.509 6.165 -6.964 1.00 0.00 N ATOM 1903 OXT ARG A 124 16.746 9.021 -2.318 1.00 0.00 O ATOM 0 H ARG A 124 14.806 5.548 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 124 17.467 6.671 -1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.026 6.227 -4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 124 17.577 7.027 -3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 124 18.500 4.955 -2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 124 16.958 4.159 -3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 124 18.381 3.503 -4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 124 17.190 4.614 -5.530 1.00 0.00 H new ATOM 0 HE ARG A 124 19.536 6.079 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 124 18.269 3.904 -7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 124 19.352 4.489 -8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 124 20.924 6.823 -6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 124 20.843 6.128 -7.927 1.00 0.00 H new TER 1917 ARG A 124 HETATM 1918 FE HEB A 125 4.526 -1.741 1.938 1.00 0.00 FE HETATM 1919 CHA HEB A 125 3.943 -1.743 5.274 1.00 0.00 C HETATM 1920 CHB HEB A 125 2.520 0.962 1.592 1.00 0.00 C HETATM 1921 CHC HEB A 125 5.106 -1.751 -1.400 1.00 0.00 C HETATM 1922 CHD HEB A 125 6.481 -4.484 2.280 1.00 0.00 C HETATM 1923 NA HEB A 125 3.471 -0.631 3.162 1.00 0.00 N HETATM 1924 C1A HEB A 125 3.336 -0.764 4.528 1.00 0.00 C HETATM 1925 C2A HEB A 125 2.470 0.249 5.077 1.00 0.00 C HETATM 1926 C3A HEB A 125 2.071 1.018 4.037 1.00 0.00 C HETATM 1927 C4A HEB A 125 2.691 0.464 2.857 1.00 0.00 C HETATM 1928 CMA HEB A 125 1.185 2.219 4.102 1.00 0.00 C HETATM 1929 CAA HEB A 125 2.076 0.405 6.509 1.00 0.00 C HETATM 1930 CBA HEB A 125 3.129 1.160 7.321 1.00 0.00 C HETATM 1931 CGA HEB A 125 2.728 1.193 8.792 1.00 0.00 C HETATM 1932 O1A HEB A 125 2.563 2.283 9.315 1.00 0.00 O HETATM 1933 O2A HEB A 125 2.590 0.130 9.372 1.00 0.00 O HETATM 1934 NB HEB A 125 3.940 -0.637 0.428 1.00 0.00 N HETATM 1935 C1B HEB A 125 3.097 0.454 0.457 1.00 0.00 C HETATM 1936 C2B HEB A 125 2.896 1.007 -0.853 1.00 0.00 C HETATM 1937 C3B HEB A 125 3.622 0.259 -1.713 1.00 0.00 C HETATM 1938 C4B HEB A 125 4.272 -0.767 -0.910 1.00 0.00 C HETATM 1939 CMB HEB A 125 2.047 2.182 -1.196 1.00 0.00 C HETATM 1940 CAB HEB A 125 3.701 0.465 -3.196 1.00 0.00 C HETATM 1941 CBB HEB A 125 2.318 0.469 -3.848 1.00 0.00 C HETATM 1942 NC HEB A 125 5.564 -2.862 0.717 1.00 0.00 N HETATM 1943 C1C HEB A 125 5.706 -2.727 -0.647 1.00 0.00 C HETATM 1944 C2C HEB A 125 6.560 -3.750 -1.194 1.00 0.00 C HETATM 1945 C3C HEB A 125 6.944 -4.526 -0.156 1.00 0.00 C HETATM 1946 C4C HEB A 125 6.324 -3.972 1.020 1.00 0.00 C HETATM 1947 CMC HEB A 125 6.948 -3.917 -2.622 1.00 0.00 C HETATM 1948 CAC HEB A 125 7.764 -5.636 -0.213 1.00 0.00 C HETATM 1949 CBC HEB A 125 7.373 -6.775 -0.888 1.00 0.00 C HETATM 1950 ND HEB A 125 5.090 -2.863 3.444 1.00 0.00 N HETATM 1951 C1D HEB A 125 5.909 -3.974 3.420 1.00 0.00 C HETATM 1952 C2D HEB A 125 6.090 -4.529 4.741 1.00 0.00 C HETATM 1953 C3D HEB A 125 5.372 -3.751 5.585 1.00 0.00 C HETATM 1954 C4D HEB A 125 4.760 -2.726 4.777 1.00 0.00 C HETATM 1955 CMD HEB A 125 6.909 -5.723 5.110 1.00 0.00 C HETATM 1956 CAD HEB A 125 5.225 -3.931 7.060 1.00 0.00 C HETATM 1957 CBD HEB A 125 6.170 -3.029 7.857 1.00 0.00 C HETATM 1958 CGD HEB A 125 5.738 -2.987 9.319 1.00 0.00 C HETATM 1959 O1D HEB A 125 5.910 -1.948 9.936 1.00 0.00 O HETATM 1960 O2D HEB A 125 5.243 -3.993 9.798 1.00 0.00 O HETATM 0 HMD3 HEB A 125 6.531 -6.600 4.584 1.00 0.00 H new HETATM 0 HMD2 HEB A 125 7.948 -5.552 4.830 1.00 0.00 H new HETATM 0 HMD1 HEB A 125 6.845 -5.890 6.185 1.00 0.00 H new HETATM 0 HMC3 HEB A 125 6.054 -4.067 -3.227 1.00 0.00 H new HETATM 0 HMC2 HEB A 125 7.472 -3.024 -2.964 1.00 0.00 H new HETATM 0 HMC1 HEB A 125 7.603 -4.782 -2.722 1.00 0.00 H new HETATM 0 HMB3 HEB A 125 1.016 1.983 -0.905 1.00 0.00 H new HETATM 0 HMB2 HEB A 125 2.411 3.061 -0.664 1.00 0.00 H new HETATM 0 HMB1 HEB A 125 2.093 2.363 -2.270 1.00 0.00 H new HETATM 0 HMA3 HEB A 125 0.217 1.935 4.516 1.00 0.00 H new HETATM 0 HMA2 HEB A 125 1.644 2.976 4.738 1.00 0.00 H new HETATM 0 HMA1 HEB A 125 1.046 2.623 3.099 1.00 0.00 H new HETATM 0 HBD2 HEB A 125 7.192 -3.401 7.781 1.00 0.00 H new HETATM 0 HBD1 HEB A 125 6.165 -2.023 7.438 1.00 0.00 H new HETATM 0 HBC2 HEB A 125 8.033 -7.642 -0.923 1.00 0.00 H new HETATM 0 HBC1 HEB A 125 6.404 -6.808 -1.386 1.00 0.00 H new HETATM 0 HBB3 HEB A 125 1.826 -0.486 -3.663 1.00 0.00 H new HETATM 0 HBB2 HEB A 125 1.718 1.275 -3.424 1.00 0.00 H new HETATM 0 HBB1 HEB A 125 2.423 0.621 -4.922 1.00 0.00 H new HETATM 0 HBA2 HEB A 125 4.100 0.677 7.211 1.00 0.00 H new HETATM 0 HBA1 HEB A 125 3.233 2.176 6.941 1.00 0.00 H new HETATM 0 HAD2 HEB A 125 4.196 -3.718 7.348 1.00 0.00 H new HETATM 0 HAD1 HEB A 125 5.419 -4.972 7.317 1.00 0.00 H new HETATM 0 HAA2 HEB A 125 1.126 0.936 6.566 1.00 0.00 H new HETATM 0 HAA1 HEB A 125 1.918 -0.579 6.949 1.00 0.00 H new HETATM 0 HHD HEB A 125 7.111 -5.367 2.387 1.00 0.00 H new HETATM 0 HHC HEB A 125 5.304 -1.752 -2.472 1.00 0.00 H new HETATM 0 HHB HEB A 125 1.873 1.832 1.479 1.00 0.00 H new HETATM 0 HHA HEB A 125 3.761 -1.739 6.349 1.00 0.00 H new HETATM 0 HAC HEB A 125 8.735 -5.612 0.282 1.00 0.00 H new HETATM 0 HAB HEB A 125 4.309 -0.324 -3.640 1.00 0.00 H new