USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 867 hydrogens (0 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 Set 1.1: A 37 THR OG1 : rot 120:sc= -0.102 USER MOD Set 1.2: A 118 ASN : amide:sc= -2.6! C(o=-2.7!,f=-11!) USER MOD Set 2.1: A 80 LYS NZ :NH3+ 170:sc= 0.865 (180deg=-0.511) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 0.874 USER MOD Set 3.1: A 76 MET CE :methyl -123:sc= 0 (180deg=-1.08) USER MOD Set 3.2: A 83 SER OG : rot 0:sc= -0.764 USER MOD Set 4.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 27 HIS : no HE2:sc= -10.3! C(o=-13!,f=-13!) USER MOD Set 5.2: A 49 ASN : amide:sc= -3.06! C(o=-13!,f=-22!) USER MOD Set 6.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 32 HIS : no HD1:sc= -0.152 X(o=-0.15,f=0.096) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0443 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -167:sc= -2.57! USER MOD Single : A 42 THR OG1 : rot 119:sc= 0.813 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -6.3! C(o=-6.3!,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0685 USER MOD Single : A 59 ASN : amide:sc= -0.685 X(o=-0.69,f=-0.69) USER MOD Single : A 60 GLN : amide:sc= -0.337 K(o=-0.34,f=-1.6) USER MOD Single : A 68 CYS SG : rot -160:sc= -2.59! USER MOD Single : A 79 ASN : amide:sc= -0.0496 K(o=-0.05,f=-1.2!) USER MOD Single : A 87 TYR OH : rot 174:sc= -2.42! USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.48 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0473 USER MOD Single : A 93 SER OG : rot -129:sc= -2.7! USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= -1.65 (180deg=-1.88) USER MOD Single : A 97 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 99 THR OG1 : rot 91:sc= 0.51 USER MOD Single : A 101 ASN : amide:sc= -2.88 K(o=-2.9,f=-5.3!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0.00121 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 24:sc= 0.133 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -0.784 15.733 3.143 1.00 0.00 N ATOM 2 CA GLY A 18 -2.109 15.196 2.889 1.00 0.00 C ATOM 3 C GLY A 18 -3.039 15.362 4.074 1.00 0.00 C ATOM 4 O GLY A 18 -2.668 15.960 5.084 1.00 0.00 O ATOM 0 HA2 GLY A 18 -2.539 15.695 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.027 14.138 2.641 1.00 0.00 H new ATOM 8 N SER A 19 -4.253 14.832 3.951 1.00 0.00 N ATOM 9 CA SER A 19 -5.240 14.930 5.019 1.00 0.00 C ATOM 10 C SER A 19 -5.133 13.740 5.968 1.00 0.00 C ATOM 11 O SER A 19 -5.233 12.587 5.550 1.00 0.00 O ATOM 12 CB SER A 19 -6.651 15.002 4.431 1.00 0.00 C ATOM 13 OG SER A 19 -6.766 16.074 3.512 1.00 0.00 O ATOM 0 H SER A 19 -4.575 14.331 3.123 1.00 0.00 H new ATOM 0 HA SER A 19 -5.041 15.841 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.888 14.063 3.931 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.377 15.128 5.234 1.00 0.00 H new ATOM 0 HG SER A 19 -7.676 16.098 3.149 1.00 0.00 H new ATOM 19 N SER A 20 -4.930 14.030 7.249 1.00 0.00 N ATOM 20 CA SER A 20 -4.805 12.985 8.259 1.00 0.00 C ATOM 21 C SER A 20 -5.959 11.992 8.159 1.00 0.00 C ATOM 22 O SER A 20 -5.747 10.785 8.056 1.00 0.00 O ATOM 23 CB SER A 20 -4.767 13.601 9.658 1.00 0.00 C ATOM 24 OG SER A 20 -5.870 14.466 9.865 1.00 0.00 O ATOM 0 H SER A 20 -4.849 14.980 7.612 1.00 0.00 H new ATOM 0 HA SER A 20 -3.872 12.450 8.080 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.776 12.810 10.407 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.837 14.154 9.790 1.00 0.00 H new ATOM 0 HG SER A 20 -5.823 14.846 10.767 1.00 0.00 H new ATOM 30 N GLY A 21 -7.183 12.512 8.190 1.00 0.00 N ATOM 31 CA GLY A 21 -8.353 11.658 8.102 1.00 0.00 C ATOM 32 C GLY A 21 -8.627 11.194 6.686 1.00 0.00 C ATOM 33 O GLY A 21 -8.683 12.002 5.760 1.00 0.00 O ATOM 0 H GLY A 21 -7.385 13.508 8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.214 10.789 8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.222 12.198 8.479 1.00 0.00 H new ATOM 37 N SER A 22 -8.795 9.886 6.516 1.00 0.00 N ATOM 38 CA SER A 22 -9.058 9.314 5.201 1.00 0.00 C ATOM 39 C SER A 22 -9.345 7.818 5.307 1.00 0.00 C ATOM 40 O SER A 22 -9.336 7.249 6.398 1.00 0.00 O ATOM 41 CB SER A 22 -7.869 9.552 4.270 1.00 0.00 C ATOM 42 OG SER A 22 -8.200 9.237 2.929 1.00 0.00 O ATOM 0 H SER A 22 -8.754 9.203 7.272 1.00 0.00 H new ATOM 0 HA SER A 22 -9.938 9.807 4.787 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.555 10.594 4.335 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.024 8.944 4.592 1.00 0.00 H new ATOM 0 HG SER A 22 -7.423 9.399 2.354 1.00 0.00 H new ATOM 48 N SER A 23 -9.600 7.189 4.164 1.00 0.00 N ATOM 49 CA SER A 23 -9.893 5.761 4.127 1.00 0.00 C ATOM 50 C SER A 23 -8.693 4.948 4.602 1.00 0.00 C ATOM 51 O SER A 23 -7.624 5.495 4.869 1.00 0.00 O ATOM 52 CB SER A 23 -10.283 5.336 2.710 1.00 0.00 C ATOM 53 OG SER A 23 -11.477 5.976 2.296 1.00 0.00 O ATOM 0 H SER A 23 -9.610 7.646 3.252 1.00 0.00 H new ATOM 0 HA SER A 23 -10.729 5.569 4.799 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.477 5.581 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.415 4.255 2.675 1.00 0.00 H new ATOM 0 HG SER A 23 -11.704 5.689 1.387 1.00 0.00 H new ATOM 59 N GLY A 24 -8.879 3.635 4.705 1.00 0.00 N ATOM 60 CA GLY A 24 -7.804 2.766 5.147 1.00 0.00 C ATOM 61 C GLY A 24 -8.167 1.984 6.394 1.00 0.00 C ATOM 62 O GLY A 24 -9.343 1.844 6.727 1.00 0.00 O ATOM 0 H GLY A 24 -9.755 3.158 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.550 2.071 4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.914 3.364 5.343 1.00 0.00 H new ATOM 66 N ALA A 25 -7.154 1.473 7.086 1.00 0.00 N ATOM 67 CA ALA A 25 -7.372 0.701 8.303 1.00 0.00 C ATOM 68 C ALA A 25 -7.704 1.614 9.479 1.00 0.00 C ATOM 69 O ALA A 25 -7.495 2.825 9.417 1.00 0.00 O ATOM 70 CB ALA A 25 -6.147 -0.144 8.618 1.00 0.00 C ATOM 0 H ALA A 25 -6.174 1.580 6.824 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.223 0.040 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.324 -0.715 9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.955 -0.829 7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.283 0.506 8.759 1.00 0.00 H new ATOM 76 N LYS A 26 -8.226 1.024 10.550 1.00 0.00 N ATOM 77 CA LYS A 26 -8.587 1.783 11.741 1.00 0.00 C ATOM 78 C LYS A 26 -7.626 1.486 12.888 1.00 0.00 C ATOM 79 O LYS A 26 -7.777 2.015 13.990 1.00 0.00 O ATOM 80 CB LYS A 26 -10.020 1.454 12.165 1.00 0.00 C ATOM 81 CG LYS A 26 -11.067 2.331 11.501 1.00 0.00 C ATOM 82 CD LYS A 26 -11.395 1.844 10.099 1.00 0.00 C ATOM 83 CE LYS A 26 -12.653 2.507 9.559 1.00 0.00 C ATOM 84 NZ LYS A 26 -12.433 3.946 9.248 1.00 0.00 N ATOM 0 H LYS A 26 -8.408 0.023 10.617 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.520 2.844 11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.229 0.411 11.929 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.103 1.559 13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.974 2.338 12.106 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.706 3.359 11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.557 2.055 9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.529 0.762 10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.979 1.987 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.456 2.412 10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.314 4.361 8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.146 4.448 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.685 4.036 8.531 1.00 0.00 H new ATOM 98 N HIS A 27 -6.637 0.639 12.621 1.00 0.00 N ATOM 99 CA HIS A 27 -5.649 0.274 13.630 1.00 0.00 C ATOM 100 C HIS A 27 -4.807 1.483 14.029 1.00 0.00 C ATOM 101 O HIS A 27 -4.445 2.305 13.187 1.00 0.00 O ATOM 102 CB HIS A 27 -4.745 -0.843 13.109 1.00 0.00 C ATOM 103 CG HIS A 27 -4.014 -0.484 11.852 1.00 0.00 C ATOM 104 ND1 HIS A 27 -2.887 -1.153 11.420 1.00 0.00 N ATOM 105 CD2 HIS A 27 -4.256 0.477 10.931 1.00 0.00 C ATOM 106 CE1 HIS A 27 -2.467 -0.615 10.289 1.00 0.00 C ATOM 107 NE2 HIS A 27 -3.281 0.375 9.970 1.00 0.00 N ATOM 0 H HIS A 27 -6.498 0.193 11.714 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.181 -0.082 14.512 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.020 -1.102 13.880 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.348 -1.733 12.927 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.447 -1.939 11.899 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.066 1.192 10.949 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -1.604 -0.931 9.721 1.00 0.00 H new ATOM 115 N THR A 28 -4.499 1.585 15.318 1.00 0.00 N ATOM 116 CA THR A 28 -3.702 2.693 15.828 1.00 0.00 C ATOM 117 C THR A 28 -2.270 2.625 15.307 1.00 0.00 C ATOM 118 O THR A 28 -1.532 3.610 15.361 1.00 0.00 O ATOM 119 CB THR A 28 -3.676 2.704 17.368 1.00 0.00 C ATOM 120 OG1 THR A 28 -3.179 1.454 17.859 1.00 0.00 O ATOM 121 CG2 THR A 28 -5.066 2.959 17.931 1.00 0.00 C ATOM 0 H THR A 28 -4.790 0.913 16.028 1.00 0.00 H new ATOM 0 HA THR A 28 -4.172 3.610 15.474 1.00 0.00 H new ATOM 0 HB THR A 28 -3.017 3.509 17.692 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.164 1.470 18.839 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.022 2.962 19.020 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.429 3.925 17.579 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.744 2.173 17.597 1.00 0.00 H new ATOM 129 N LEU A 29 -1.884 1.459 14.804 1.00 0.00 N ATOM 130 CA LEU A 29 -0.539 1.263 14.271 1.00 0.00 C ATOM 131 C LEU A 29 -0.153 2.404 13.336 1.00 0.00 C ATOM 132 O LEU A 29 1.027 2.727 13.188 1.00 0.00 O ATOM 133 CB LEU A 29 -0.452 -0.072 13.530 1.00 0.00 C ATOM 134 CG LEU A 29 -0.057 -1.284 14.374 1.00 0.00 C ATOM 135 CD1 LEU A 29 -1.246 -1.785 15.179 1.00 0.00 C ATOM 136 CD2 LEU A 29 0.495 -2.393 13.490 1.00 0.00 C ATOM 0 H LEU A 29 -2.482 0.634 14.753 1.00 0.00 H new ATOM 0 HA LEU A 29 0.159 1.252 15.108 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.420 -0.274 13.071 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.269 0.032 12.719 1.00 0.00 H new ATOM 0 HG LEU A 29 0.724 -0.978 15.070 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.945 -2.648 15.773 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.597 -0.993 15.841 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.049 -2.074 14.501 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.771 -3.248 14.108 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.265 -2.696 12.770 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.375 -2.031 12.958 1.00 0.00 H new ATOM 148 N LEU A 30 -1.153 3.012 12.709 1.00 0.00 N ATOM 149 CA LEU A 30 -0.918 4.120 11.789 1.00 0.00 C ATOM 150 C LEU A 30 -0.536 5.387 12.548 1.00 0.00 C ATOM 151 O LEU A 30 0.562 5.917 12.378 1.00 0.00 O ATOM 152 CB LEU A 30 -2.164 4.376 10.940 1.00 0.00 C ATOM 153 CG LEU A 30 -2.430 3.372 9.817 1.00 0.00 C ATOM 154 CD1 LEU A 30 -3.905 3.362 9.449 1.00 0.00 C ATOM 155 CD2 LEU A 30 -1.576 3.695 8.599 1.00 0.00 C ATOM 0 H LEU A 30 -2.134 2.757 12.820 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.090 3.848 11.135 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.032 4.391 11.600 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.081 5.370 10.500 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.159 2.378 10.172 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.075 2.642 8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.496 3.082 10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.203 4.355 9.113 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.778 2.970 7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.816 4.697 8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.522 3.650 8.872 1.00 0.00 H new ATOM 167 N ARG A 31 -1.449 5.866 13.386 1.00 0.00 N ATOM 168 CA ARG A 31 -1.208 7.070 14.172 1.00 0.00 C ATOM 169 C ARG A 31 0.209 7.075 14.738 1.00 0.00 C ATOM 170 O ARG A 31 1.045 7.886 14.339 1.00 0.00 O ATOM 171 CB ARG A 31 -2.224 7.173 15.312 1.00 0.00 C ATOM 172 CG ARG A 31 -2.157 8.488 16.070 1.00 0.00 C ATOM 173 CD ARG A 31 -3.333 8.644 17.021 1.00 0.00 C ATOM 174 NE ARG A 31 -3.192 7.807 18.209 1.00 0.00 N ATOM 175 CZ ARG A 31 -2.468 8.151 19.268 1.00 0.00 C ATOM 176 NH1 ARG A 31 -1.824 9.309 19.287 1.00 0.00 N ATOM 177 NH2 ARG A 31 -2.388 7.335 20.311 1.00 0.00 N ATOM 0 H ARG A 31 -2.363 5.439 13.538 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.322 7.932 13.514 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.228 7.049 14.905 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.059 6.352 16.010 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.224 8.538 16.632 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.148 9.317 15.362 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.420 9.688 17.322 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.256 8.384 16.502 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.676 6.909 18.227 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.884 9.939 18.487 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.269 9.570 20.102 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.883 6.443 20.300 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.832 7.600 21.124 1.00 0.00 H new ATOM 191 N HIS A 32 0.472 6.165 15.670 1.00 0.00 N ATOM 192 CA HIS A 32 1.788 6.064 16.291 1.00 0.00 C ATOM 193 C HIS A 32 2.890 6.364 15.280 1.00 0.00 C ATOM 194 O HIS A 32 3.733 7.231 15.508 1.00 0.00 O ATOM 195 CB HIS A 32 1.990 4.669 16.884 1.00 0.00 C ATOM 196 CG HIS A 32 0.938 4.282 17.878 1.00 0.00 C ATOM 197 ND1 HIS A 32 0.402 3.014 17.950 1.00 0.00 N ATOM 198 CD2 HIS A 32 0.324 5.005 18.843 1.00 0.00 C ATOM 199 CE1 HIS A 32 -0.498 2.973 18.916 1.00 0.00 C ATOM 200 NE2 HIS A 32 -0.564 4.169 19.474 1.00 0.00 N ATOM 0 H HIS A 32 -0.209 5.487 16.012 1.00 0.00 H new ATOM 0 HA HIS A 32 1.842 6.802 17.091 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.001 3.938 16.076 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.967 4.626 17.366 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.500 6.045 19.074 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -1.080 2.109 19.201 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -1.175 4.429 20.248 1.00 0.00 H new ATOM 208 N GLU A 33 2.876 5.642 14.165 1.00 0.00 N ATOM 209 CA GLU A 33 3.877 5.831 13.120 1.00 0.00 C ATOM 210 C GLU A 33 3.856 7.265 12.601 1.00 0.00 C ATOM 211 O GLU A 33 4.866 7.966 12.640 1.00 0.00 O ATOM 212 CB GLU A 33 3.631 4.856 11.966 1.00 0.00 C ATOM 213 CG GLU A 33 3.580 3.400 12.400 1.00 0.00 C ATOM 214 CD GLU A 33 4.952 2.758 12.452 1.00 0.00 C ATOM 215 OE1 GLU A 33 5.912 3.440 12.868 1.00 0.00 O ATOM 216 OE2 GLU A 33 5.066 1.572 12.077 1.00 0.00 O ATOM 0 H GLU A 33 2.184 4.921 13.961 1.00 0.00 H new ATOM 0 HA GLU A 33 4.858 5.633 13.551 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.691 5.114 11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.420 4.978 11.224 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.115 3.334 13.384 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.948 2.841 11.710 1.00 0.00 H new ATOM 223 N GLY A 34 2.696 7.696 12.113 1.00 0.00 N ATOM 224 CA GLY A 34 2.565 9.044 11.592 1.00 0.00 C ATOM 225 C GLY A 34 2.481 9.075 10.078 1.00 0.00 C ATOM 226 O GLY A 34 3.283 9.735 9.419 1.00 0.00 O ATOM 0 H GLY A 34 1.845 7.135 12.069 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.672 9.507 12.012 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.417 9.641 11.918 1.00 0.00 H new ATOM 230 N ILE A 35 1.507 8.359 9.527 1.00 0.00 N ATOM 231 CA ILE A 35 1.322 8.306 8.082 1.00 0.00 C ATOM 232 C ILE A 35 0.111 9.128 7.653 1.00 0.00 C ATOM 233 O ILE A 35 -1.000 8.912 8.135 1.00 0.00 O ATOM 234 CB ILE A 35 1.146 6.858 7.589 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.408 6.042 7.876 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.825 6.841 6.102 1.00 0.00 C ATOM 237 CD1 ILE A 35 2.217 4.552 7.702 1.00 0.00 C ATOM 0 H ILE A 35 0.834 7.808 10.059 1.00 0.00 H new ATOM 0 HA ILE A 35 2.222 8.726 7.633 1.00 0.00 H new ATOM 0 HB ILE A 35 0.313 6.405 8.126 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.206 6.377 7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.735 6.241 8.896 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.703 5.811 5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.098 7.392 5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.640 7.308 5.549 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.152 4.037 7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.441 4.203 8.384 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.919 4.341 6.675 1.00 0.00 H new ATOM 249 N GLU A 36 0.335 10.071 6.743 1.00 0.00 N ATOM 250 CA GLU A 36 -0.740 10.923 6.248 1.00 0.00 C ATOM 251 C GLU A 36 -1.014 10.652 4.771 1.00 0.00 C ATOM 252 O GLU A 36 -0.114 10.739 3.935 1.00 0.00 O ATOM 253 CB GLU A 36 -0.383 12.398 6.449 1.00 0.00 C ATOM 254 CG GLU A 36 -0.237 12.795 7.908 1.00 0.00 C ATOM 255 CD GLU A 36 0.097 14.264 8.083 1.00 0.00 C ATOM 256 OE1 GLU A 36 1.295 14.612 8.028 1.00 0.00 O ATOM 257 OE2 GLU A 36 -0.841 15.065 8.276 1.00 0.00 O ATOM 0 H GLU A 36 1.249 10.264 6.334 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.642 10.693 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.550 12.612 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.154 13.016 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.164 12.572 8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.545 12.191 8.368 1.00 0.00 H new ATOM 264 N THR A 37 -2.263 10.324 4.458 1.00 0.00 N ATOM 265 CA THR A 37 -2.657 10.038 3.084 1.00 0.00 C ATOM 266 C THR A 37 -3.726 11.013 2.605 1.00 0.00 C ATOM 267 O THR A 37 -4.542 11.492 3.392 1.00 0.00 O ATOM 268 CB THR A 37 -3.188 8.600 2.940 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.429 8.463 3.641 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.181 7.594 3.479 1.00 0.00 C ATOM 0 H THR A 37 -3.020 10.250 5.138 1.00 0.00 H new ATOM 0 HA THR A 37 -1.764 10.151 2.469 1.00 0.00 H new ATOM 0 HB THR A 37 -3.346 8.399 1.880 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.133 8.203 3.011 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.578 6.585 3.366 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.247 7.680 2.923 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.995 7.795 4.534 1.00 0.00 H new ATOM 278 N VAL A 38 -3.717 11.303 1.307 1.00 0.00 N ATOM 279 CA VAL A 38 -4.687 12.220 0.722 1.00 0.00 C ATOM 280 C VAL A 38 -5.963 11.488 0.322 1.00 0.00 C ATOM 281 O VAL A 38 -6.081 10.277 0.509 1.00 0.00 O ATOM 282 CB VAL A 38 -4.110 12.935 -0.513 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.843 13.694 -0.148 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.839 11.936 -1.629 1.00 0.00 C ATOM 0 H VAL A 38 -3.048 10.916 0.641 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.921 12.962 1.485 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.846 13.655 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.450 14.193 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.071 14.437 0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.099 12.996 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.431 12.459 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.122 11.191 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.769 11.442 -1.909 1.00 0.00 H new ATOM 294 N SER A 39 -6.916 12.231 -0.231 1.00 0.00 N ATOM 295 CA SER A 39 -8.187 11.653 -0.655 1.00 0.00 C ATOM 296 C SER A 39 -8.204 11.429 -2.164 1.00 0.00 C ATOM 297 O SER A 39 -8.639 10.381 -2.643 1.00 0.00 O ATOM 298 CB SER A 39 -9.347 12.565 -0.251 1.00 0.00 C ATOM 299 OG SER A 39 -10.585 11.880 -0.332 1.00 0.00 O ATOM 0 H SER A 39 -6.833 13.234 -0.396 1.00 0.00 H new ATOM 0 HA SER A 39 -8.303 10.689 -0.160 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.193 12.926 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.369 13.440 -0.900 1.00 0.00 H new ATOM 0 HG SER A 39 -11.311 12.483 -0.068 1.00 0.00 H new ATOM 305 N TYR A 40 -7.727 12.420 -2.909 1.00 0.00 N ATOM 306 CA TYR A 40 -7.689 12.334 -4.364 1.00 0.00 C ATOM 307 C TYR A 40 -6.809 11.174 -4.818 1.00 0.00 C ATOM 308 O TYR A 40 -5.953 10.701 -4.071 1.00 0.00 O ATOM 309 CB TYR A 40 -7.175 13.644 -4.961 1.00 0.00 C ATOM 310 CG TYR A 40 -5.924 14.165 -4.288 1.00 0.00 C ATOM 311 CD1 TYR A 40 -4.668 13.705 -4.659 1.00 0.00 C ATOM 312 CD2 TYR A 40 -6.000 15.119 -3.280 1.00 0.00 C ATOM 313 CE1 TYR A 40 -3.523 14.177 -4.047 1.00 0.00 C ATOM 314 CE2 TYR A 40 -4.861 15.600 -2.663 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.625 15.125 -3.050 1.00 0.00 C ATOM 316 OH TYR A 40 -2.487 15.599 -2.438 1.00 0.00 O ATOM 0 H TYR A 40 -7.361 13.293 -2.529 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.704 12.156 -4.718 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.972 13.496 -6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.958 14.399 -4.889 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.584 12.964 -5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.967 15.491 -2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.554 13.806 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.938 16.343 -1.883 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.733 16.096 -1.630 1.00 0.00 H new ATOM 326 N ALA A 41 -7.026 10.722 -6.049 1.00 0.00 N ATOM 327 CA ALA A 41 -6.251 9.619 -6.605 1.00 0.00 C ATOM 328 C ALA A 41 -4.785 10.004 -6.765 1.00 0.00 C ATOM 329 O ALA A 41 -4.466 11.084 -7.265 1.00 0.00 O ATOM 330 CB ALA A 41 -6.834 9.187 -7.943 1.00 0.00 C ATOM 0 H ALA A 41 -7.732 11.102 -6.680 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.306 8.782 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.246 8.363 -8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.865 8.863 -7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.809 10.026 -8.639 1.00 0.00 H new ATOM 336 N THR A 42 -3.894 9.116 -6.336 1.00 0.00 N ATOM 337 CA THR A 42 -2.460 9.364 -6.430 1.00 0.00 C ATOM 338 C THR A 42 -1.720 8.130 -6.932 1.00 0.00 C ATOM 339 O THR A 42 -2.065 7.002 -6.579 1.00 0.00 O ATOM 340 CB THR A 42 -1.873 9.783 -5.069 1.00 0.00 C ATOM 341 OG1 THR A 42 -2.093 8.751 -4.102 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.501 11.082 -4.585 1.00 0.00 C ATOM 0 H THR A 42 -4.140 8.218 -5.920 1.00 0.00 H new ATOM 0 HA THR A 42 -2.326 10.178 -7.142 1.00 0.00 H new ATOM 0 HB THR A 42 -0.802 9.941 -5.193 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.231 8.426 -3.768 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.071 11.358 -3.622 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.306 11.873 -5.309 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.577 10.947 -4.476 1.00 0.00 H new ATOM 350 N GLN A 43 -0.702 8.350 -7.757 1.00 0.00 N ATOM 351 CA GLN A 43 0.086 7.254 -8.306 1.00 0.00 C ATOM 352 C GLN A 43 0.680 6.397 -7.193 1.00 0.00 C ATOM 353 O GLN A 43 0.848 5.189 -7.349 1.00 0.00 O ATOM 354 CB GLN A 43 1.204 7.798 -9.198 1.00 0.00 C ATOM 355 CG GLN A 43 0.798 7.959 -10.654 1.00 0.00 C ATOM 356 CD GLN A 43 1.941 8.436 -11.529 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.584 9.443 -11.236 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.198 7.712 -12.613 1.00 0.00 N ATOM 0 H GLN A 43 -0.404 9.277 -8.060 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.577 6.630 -8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.528 8.764 -8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.062 7.128 -9.141 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.429 7.005 -11.032 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.027 8.669 -10.721 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.639 6.884 -12.817 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.954 7.984 -13.241 1.00 0.00 H new ATOM 367 N SER A 44 0.996 7.033 -6.069 1.00 0.00 N ATOM 368 CA SER A 44 1.574 6.330 -4.930 1.00 0.00 C ATOM 369 C SER A 44 0.480 5.795 -4.010 1.00 0.00 C ATOM 370 O SER A 44 -0.557 6.431 -3.822 1.00 0.00 O ATOM 371 CB SER A 44 2.504 7.260 -4.149 1.00 0.00 C ATOM 372 OG SER A 44 3.578 7.706 -4.959 1.00 0.00 O ATOM 0 H SER A 44 0.861 8.034 -5.923 1.00 0.00 H new ATOM 0 HA SER A 44 2.150 5.486 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.941 8.118 -3.782 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.895 6.738 -3.276 1.00 0.00 H new ATOM 0 HG SER A 44 4.157 8.300 -4.437 1.00 0.00 H new ATOM 378 N LEU A 45 0.721 4.620 -3.438 1.00 0.00 N ATOM 379 CA LEU A 45 -0.241 3.997 -2.536 1.00 0.00 C ATOM 380 C LEU A 45 0.464 3.353 -1.346 1.00 0.00 C ATOM 381 O LEU A 45 1.534 2.763 -1.491 1.00 0.00 O ATOM 382 CB LEU A 45 -1.065 2.947 -3.284 1.00 0.00 C ATOM 383 CG LEU A 45 -1.970 3.472 -4.399 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.406 2.338 -5.313 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.181 4.183 -3.812 1.00 0.00 C ATOM 0 H LEU A 45 1.574 4.080 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.907 4.775 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.380 2.216 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.684 2.417 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.404 4.190 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.049 2.732 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.528 1.873 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.954 1.595 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.814 4.550 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.748 3.486 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.849 5.022 -3.201 1.00 0.00 H new ATOM 397 N VAL A 46 -0.144 3.471 -0.170 1.00 0.00 N ATOM 398 CA VAL A 46 0.424 2.899 1.044 1.00 0.00 C ATOM 399 C VAL A 46 -0.363 1.673 1.494 1.00 0.00 C ATOM 400 O VAL A 46 -1.571 1.745 1.720 1.00 0.00 O ATOM 401 CB VAL A 46 0.448 3.927 2.191 1.00 0.00 C ATOM 402 CG1 VAL A 46 -0.966 4.290 2.614 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.245 3.390 3.371 1.00 0.00 C ATOM 0 H VAL A 46 -1.030 3.958 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 46 1.446 2.605 0.807 1.00 0.00 H new ATOM 0 HB VAL A 46 0.937 4.833 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.928 5.017 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.500 4.719 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.485 3.394 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.252 4.129 4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.786 2.469 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.269 3.187 3.056 1.00 0.00 H new ATOM 413 N VAL A 47 0.330 0.545 1.620 1.00 0.00 N ATOM 414 CA VAL A 47 -0.303 -0.698 2.045 1.00 0.00 C ATOM 415 C VAL A 47 -0.371 -0.790 3.565 1.00 0.00 C ATOM 416 O VAL A 47 0.656 -0.855 4.239 1.00 0.00 O ATOM 417 CB VAL A 47 0.451 -1.926 1.501 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.437 -3.159 1.540 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.949 -1.661 0.087 1.00 0.00 C ATOM 0 H VAL A 47 1.330 0.467 1.434 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.315 -0.692 1.639 1.00 0.00 H new ATOM 0 HB VAL A 47 1.316 -2.111 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.113 -4.016 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.739 -3.357 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.323 -2.989 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.480 -2.539 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.101 -1.449 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.624 -0.805 0.093 1.00 0.00 H new ATOM 429 N ALA A 48 -1.588 -0.795 4.099 1.00 0.00 N ATOM 430 CA ALA A 48 -1.790 -0.881 5.539 1.00 0.00 C ATOM 431 C ALA A 48 -1.960 -2.330 5.984 1.00 0.00 C ATOM 432 O ALA A 48 -2.497 -3.156 5.248 1.00 0.00 O ATOM 433 CB ALA A 48 -2.999 -0.055 5.953 1.00 0.00 C ATOM 0 H ALA A 48 -2.449 -0.740 3.555 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.904 -0.479 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.138 -0.129 7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.839 0.988 5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.888 -0.431 5.446 1.00 0.00 H new ATOM 439 N ASN A 49 -1.496 -2.631 7.192 1.00 0.00 N ATOM 440 CA ASN A 49 -1.595 -3.981 7.735 1.00 0.00 C ATOM 441 C ASN A 49 -0.733 -4.953 6.935 1.00 0.00 C ATOM 442 O ASN A 49 -1.013 -6.150 6.883 1.00 0.00 O ATOM 443 CB ASN A 49 -3.051 -4.451 7.728 1.00 0.00 C ATOM 444 CG ASN A 49 -3.991 -3.426 8.334 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.616 -2.274 8.551 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.221 -3.844 8.612 1.00 0.00 N ATOM 0 H ASN A 49 -1.048 -1.958 7.814 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.232 -3.960 8.762 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.358 -4.660 6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.131 -5.386 8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.898 -3.201 9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.489 -4.808 8.415 1.00 0.00 H new ATOM 453 N GLY A 50 0.320 -4.429 6.314 1.00 0.00 N ATOM 454 CA GLY A 50 1.208 -5.263 5.526 1.00 0.00 C ATOM 455 C GLY A 50 2.666 -5.062 5.887 1.00 0.00 C ATOM 456 O GLY A 50 3.047 -5.184 7.050 1.00 0.00 O ATOM 0 H GLY A 50 0.573 -3.441 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.942 -6.310 5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.065 -5.042 4.468 1.00 0.00 H new ATOM 460 N GLY A 51 3.485 -4.752 4.886 1.00 0.00 N ATOM 461 CA GLY A 51 4.901 -4.539 5.125 1.00 0.00 C ATOM 462 C GLY A 51 5.588 -5.775 5.670 1.00 0.00 C ATOM 463 O GLY A 51 4.949 -6.630 6.286 1.00 0.00 O ATOM 0 H GLY A 51 3.193 -4.645 3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.383 -4.240 4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.028 -3.716 5.828 1.00 0.00 H new ATOM 467 N LEU A 52 6.894 -5.872 5.445 1.00 0.00 N ATOM 468 CA LEU A 52 7.669 -7.014 5.917 1.00 0.00 C ATOM 469 C LEU A 52 7.275 -7.389 7.341 1.00 0.00 C ATOM 470 O LEU A 52 7.021 -8.554 7.641 1.00 0.00 O ATOM 471 CB LEU A 52 9.165 -6.701 5.854 1.00 0.00 C ATOM 472 CG LEU A 52 9.716 -6.324 4.479 1.00 0.00 C ATOM 473 CD1 LEU A 52 11.047 -5.602 4.615 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.866 -7.562 3.607 1.00 0.00 C ATOM 0 H LEU A 52 7.438 -5.174 4.939 1.00 0.00 H new ATOM 0 HA LEU A 52 7.454 -7.862 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.374 -5.883 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.713 -7.571 6.217 1.00 0.00 H new ATOM 0 HG LEU A 52 9.008 -5.649 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.423 -5.342 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.910 -4.693 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.764 -6.252 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.259 -7.275 2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.553 -8.262 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.894 -8.038 3.480 1.00 0.00 H new ATOM 486 N GLY A 53 7.225 -6.390 8.218 1.00 0.00 N ATOM 487 CA GLY A 53 6.859 -6.635 9.601 1.00 0.00 C ATOM 488 C GLY A 53 5.695 -7.597 9.731 1.00 0.00 C ATOM 489 O GLY A 53 5.656 -8.414 10.650 1.00 0.00 O ATOM 0 H GLY A 53 7.431 -5.416 7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.720 -7.037 10.136 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.600 -5.690 10.078 1.00 0.00 H new ATOM 493 N ASN A 54 4.741 -7.498 8.810 1.00 0.00 N ATOM 494 CA ASN A 54 3.569 -8.366 8.827 1.00 0.00 C ATOM 495 C ASN A 54 3.851 -9.675 8.097 1.00 0.00 C ATOM 496 O ASN A 54 2.964 -10.250 7.467 1.00 0.00 O ATOM 497 CB ASN A 54 2.375 -7.657 8.185 1.00 0.00 C ATOM 498 CG ASN A 54 1.936 -6.436 8.971 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.748 -5.778 9.621 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.646 -6.129 8.913 1.00 0.00 N ATOM 0 H ASN A 54 4.757 -6.826 8.043 1.00 0.00 H new ATOM 0 HA ASN A 54 3.332 -8.595 9.866 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.637 -7.358 7.170 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.541 -8.354 8.107 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.291 -5.318 9.420 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.009 -6.704 8.361 1.00 0.00 H new ATOM 507 N GLY A 55 5.092 -10.142 8.188 1.00 0.00 N ATOM 508 CA GLY A 55 5.469 -11.381 7.532 1.00 0.00 C ATOM 509 C GLY A 55 5.112 -11.388 6.059 1.00 0.00 C ATOM 510 O GLY A 55 5.090 -12.443 5.423 1.00 0.00 O ATOM 0 H GLY A 55 5.844 -9.685 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.542 -11.536 7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.973 -12.216 8.027 1.00 0.00 H new ATOM 514 N VAL A 56 4.830 -10.209 5.514 1.00 0.00 N ATOM 515 CA VAL A 56 4.472 -10.083 4.106 1.00 0.00 C ATOM 516 C VAL A 56 5.697 -9.774 3.253 1.00 0.00 C ATOM 517 O VAL A 56 6.229 -8.664 3.290 1.00 0.00 O ATOM 518 CB VAL A 56 3.419 -8.980 3.892 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.256 -8.678 2.409 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.090 -9.386 4.511 1.00 0.00 C ATOM 0 H VAL A 56 4.843 -9.327 6.026 1.00 0.00 H new ATOM 0 HA VAL A 56 4.052 -11.041 3.799 1.00 0.00 H new ATOM 0 HB VAL A 56 3.762 -8.072 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.508 -7.896 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.208 -8.342 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.935 -9.579 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.357 -8.595 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.738 -10.307 4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.221 -9.547 5.581 1.00 0.00 H new ATOM 530 N SER A 57 6.140 -10.763 2.483 1.00 0.00 N ATOM 531 CA SER A 57 7.305 -10.598 1.621 1.00 0.00 C ATOM 532 C SER A 57 6.932 -9.862 0.338 1.00 0.00 C ATOM 533 O SER A 57 5.759 -9.778 -0.024 1.00 0.00 O ATOM 534 CB SER A 57 7.912 -11.961 1.281 1.00 0.00 C ATOM 535 OG SER A 57 7.036 -12.722 0.468 1.00 0.00 O ATOM 0 H SER A 57 5.710 -11.687 2.438 1.00 0.00 H new ATOM 0 HA SER A 57 8.043 -10.003 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.862 -11.821 0.765 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.126 -12.507 2.200 1.00 0.00 H new ATOM 0 HG SER A 57 7.448 -13.587 0.264 1.00 0.00 H new ATOM 541 N ARG A 58 7.940 -9.329 -0.345 1.00 0.00 N ATOM 542 CA ARG A 58 7.719 -8.598 -1.587 1.00 0.00 C ATOM 543 C ARG A 58 7.136 -9.513 -2.660 1.00 0.00 C ATOM 544 O ARG A 58 6.246 -9.117 -3.411 1.00 0.00 O ATOM 545 CB ARG A 58 9.030 -7.984 -2.082 1.00 0.00 C ATOM 546 CG ARG A 58 8.994 -7.570 -3.544 1.00 0.00 C ATOM 547 CD ARG A 58 10.191 -6.704 -3.907 1.00 0.00 C ATOM 548 NE ARG A 58 10.304 -5.536 -3.038 1.00 0.00 N ATOM 549 CZ ARG A 58 11.252 -4.614 -3.166 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.163 -4.723 -4.123 1.00 0.00 N ATOM 551 NH2 ARG A 58 11.289 -3.580 -2.336 1.00 0.00 N ATOM 0 H ARG A 58 8.917 -9.390 -0.059 1.00 0.00 H new ATOM 0 HA ARG A 58 7.004 -7.800 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.266 -7.112 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.836 -8.703 -1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.982 -8.459 -4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.073 -7.023 -3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.103 -7.298 -3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.102 -6.378 -4.943 1.00 0.00 H new ATOM 0 HE ARG A 58 9.618 -5.422 -2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.137 -5.516 -4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.890 -4.013 -4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.589 -3.492 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.017 -2.873 -2.435 1.00 0.00 H new ATOM 565 N ASN A 59 7.648 -10.738 -2.727 1.00 0.00 N ATOM 566 CA ASN A 59 7.179 -11.710 -3.709 1.00 0.00 C ATOM 567 C ASN A 59 5.798 -12.241 -3.333 1.00 0.00 C ATOM 568 O ASN A 59 5.195 -13.011 -4.079 1.00 0.00 O ATOM 569 CB ASN A 59 8.169 -12.869 -3.824 1.00 0.00 C ATOM 570 CG ASN A 59 7.577 -14.068 -4.537 1.00 0.00 C ATOM 571 OD1 ASN A 59 7.122 -15.021 -3.902 1.00 0.00 O ATOM 572 ND2 ASN A 59 7.578 -14.027 -5.865 1.00 0.00 N ATOM 0 H ASN A 59 8.387 -11.081 -2.114 1.00 0.00 H new ATOM 0 HA ASN A 59 7.105 -11.207 -4.673 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.056 -12.533 -4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.493 -13.167 -2.827 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.191 -14.805 -6.400 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.965 -13.218 -6.350 1.00 0.00 H new ATOM 579 N GLN A 60 5.306 -11.822 -2.171 1.00 0.00 N ATOM 580 CA GLN A 60 3.998 -12.257 -1.696 1.00 0.00 C ATOM 581 C GLN A 60 2.985 -11.119 -1.775 1.00 0.00 C ATOM 582 O GLN A 60 1.774 -11.349 -1.758 1.00 0.00 O ATOM 583 CB GLN A 60 4.097 -12.768 -0.258 1.00 0.00 C ATOM 584 CG GLN A 60 2.759 -13.173 0.338 1.00 0.00 C ATOM 585 CD GLN A 60 2.035 -14.206 -0.502 1.00 0.00 C ATOM 586 OE1 GLN A 60 2.653 -14.936 -1.278 1.00 0.00 O ATOM 587 NE2 GLN A 60 0.718 -14.275 -0.352 1.00 0.00 N ATOM 0 H GLN A 60 5.793 -11.183 -1.542 1.00 0.00 H new ATOM 0 HA GLN A 60 3.658 -13.069 -2.339 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.771 -13.624 -0.231 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.542 -11.992 0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.918 -13.572 1.340 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.130 -12.289 0.442 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.246 -13.651 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.178 -14.952 -0.891 1.00 0.00 H new ATOM 596 N LEU A 61 3.486 -9.892 -1.861 1.00 0.00 N ATOM 597 CA LEU A 61 2.625 -8.717 -1.942 1.00 0.00 C ATOM 598 C LEU A 61 2.606 -8.154 -3.359 1.00 0.00 C ATOM 599 O LEU A 61 1.562 -7.729 -3.855 1.00 0.00 O ATOM 600 CB LEU A 61 3.100 -7.644 -0.961 1.00 0.00 C ATOM 601 CG LEU A 61 2.107 -6.519 -0.666 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.822 -7.081 -0.079 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.725 -5.498 0.280 1.00 0.00 C ATOM 0 H LEU A 61 4.485 -9.684 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 61 1.612 -9.020 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.359 -8.129 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.015 -7.200 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 61 1.865 -6.018 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.128 -6.266 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.370 -7.774 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.046 -7.607 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.005 -4.704 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.995 -5.986 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.618 -5.072 -0.178 1.00 0.00 H new ATOM 615 N LEU A 62 3.765 -8.154 -4.007 1.00 0.00 N ATOM 616 CA LEU A 62 3.882 -7.645 -5.369 1.00 0.00 C ATOM 617 C LEU A 62 2.918 -8.368 -6.304 1.00 0.00 C ATOM 618 O LEU A 62 2.259 -7.761 -7.148 1.00 0.00 O ATOM 619 CB LEU A 62 5.317 -7.805 -5.874 1.00 0.00 C ATOM 620 CG LEU A 62 5.500 -7.794 -7.392 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.341 -6.384 -7.938 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.859 -8.364 -7.769 1.00 0.00 C ATOM 0 H LEU A 62 4.638 -8.501 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 62 3.624 -6.586 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.922 -7.004 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.714 -8.743 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 62 4.729 -8.423 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.475 -6.396 -9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.345 -6.012 -7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.090 -5.733 -7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.972 -8.348 -8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.645 -7.762 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.935 -9.391 -7.411 1.00 0.00 H new ATOM 634 N PRO A 63 2.833 -9.698 -6.153 1.00 0.00 N ATOM 635 CA PRO A 63 1.951 -10.533 -6.974 1.00 0.00 C ATOM 636 C PRO A 63 0.538 -9.967 -7.067 1.00 0.00 C ATOM 637 O PRO A 63 -0.084 -9.994 -8.129 1.00 0.00 O ATOM 638 CB PRO A 63 1.942 -11.874 -6.235 1.00 0.00 C ATOM 639 CG PRO A 63 3.235 -11.907 -5.496 1.00 0.00 C ATOM 640 CD PRO A 63 3.590 -10.490 -5.169 1.00 0.00 C ATOM 0 HA PRO A 63 2.298 -10.601 -8.005 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.094 -11.945 -5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.862 -12.709 -6.931 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.144 -12.501 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.014 -12.369 -6.102 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.308 -10.233 -4.148 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.663 -10.317 -5.257 1.00 0.00 H new ATOM 648 N VAL A 64 0.036 -9.455 -5.949 1.00 0.00 N ATOM 649 CA VAL A 64 -1.304 -8.879 -5.904 1.00 0.00 C ATOM 650 C VAL A 64 -1.330 -7.498 -6.547 1.00 0.00 C ATOM 651 O VAL A 64 -2.345 -7.081 -7.106 1.00 0.00 O ATOM 652 CB VAL A 64 -1.820 -8.771 -4.457 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.265 -8.297 -4.440 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.680 -10.104 -3.740 1.00 0.00 C ATOM 0 H VAL A 64 0.537 -9.427 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.956 -9.549 -6.464 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.214 -8.035 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.613 -8.227 -3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.332 -7.317 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.887 -9.007 -4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.050 -10.009 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.259 -10.863 -4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.631 -10.398 -3.720 1.00 0.00 H new ATOM 664 N LEU A 65 -0.208 -6.792 -6.466 1.00 0.00 N ATOM 665 CA LEU A 65 -0.102 -5.455 -7.041 1.00 0.00 C ATOM 666 C LEU A 65 0.154 -5.527 -8.543 1.00 0.00 C ATOM 667 O LEU A 65 0.046 -4.526 -9.249 1.00 0.00 O ATOM 668 CB LEU A 65 1.022 -4.673 -6.359 1.00 0.00 C ATOM 669 CG LEU A 65 0.881 -4.476 -4.848 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.187 -3.975 -4.252 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.254 -3.512 -4.539 1.00 0.00 C ATOM 0 H LEU A 65 0.641 -7.123 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.048 -4.940 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.964 -5.186 -6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.092 -3.692 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 65 0.645 -5.439 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.068 -3.840 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.976 -4.702 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.454 -3.022 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.339 -3.384 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.049 -2.548 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.189 -3.912 -4.932 1.00 0.00 H new ATOM 683 N GLU A 66 0.490 -6.720 -9.024 1.00 0.00 N ATOM 684 CA GLU A 66 0.759 -6.923 -10.443 1.00 0.00 C ATOM 685 C GLU A 66 -0.501 -7.372 -11.176 1.00 0.00 C ATOM 686 O GLU A 66 -0.827 -6.860 -12.247 1.00 0.00 O ATOM 687 CB GLU A 66 1.869 -7.959 -10.632 1.00 0.00 C ATOM 688 CG GLU A 66 3.265 -7.401 -10.409 1.00 0.00 C ATOM 689 CD GLU A 66 4.330 -8.180 -11.157 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.439 -8.001 -12.389 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.054 -8.966 -10.512 1.00 0.00 O ATOM 0 H GLU A 66 0.582 -7.560 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 66 1.085 -5.972 -10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.703 -8.787 -9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.806 -8.367 -11.641 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.291 -6.359 -10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.492 -7.414 -9.343 1.00 0.00 H new ATOM 698 N LYS A 67 -1.207 -8.335 -10.593 1.00 0.00 N ATOM 699 CA LYS A 67 -2.432 -8.856 -11.188 1.00 0.00 C ATOM 700 C LYS A 67 -3.415 -7.727 -11.485 1.00 0.00 C ATOM 701 O LYS A 67 -4.186 -7.799 -12.442 1.00 0.00 O ATOM 702 CB LYS A 67 -3.082 -9.880 -10.256 1.00 0.00 C ATOM 703 CG LYS A 67 -3.317 -9.359 -8.849 1.00 0.00 C ATOM 704 CD LYS A 67 -3.983 -10.405 -7.971 1.00 0.00 C ATOM 705 CE LYS A 67 -5.446 -10.596 -8.344 1.00 0.00 C ATOM 706 NZ LYS A 67 -5.912 -11.982 -8.064 1.00 0.00 N ATOM 0 H LYS A 67 -0.951 -8.771 -9.707 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.171 -9.344 -12.127 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.035 -10.193 -10.682 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.449 -10.766 -10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.366 -9.063 -8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.941 -8.466 -8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.455 -11.353 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.909 -10.105 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.059 -9.887 -7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.583 -10.373 -9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.913 -12.072 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.344 -12.657 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.805 -12.186 -7.050 1.00 0.00 H new ATOM 720 N CYS A 68 -3.380 -6.687 -10.660 1.00 0.00 N ATOM 721 CA CYS A 68 -4.267 -5.543 -10.835 1.00 0.00 C ATOM 722 C CYS A 68 -3.727 -4.593 -11.898 1.00 0.00 C ATOM 723 O CYS A 68 -4.371 -4.355 -12.918 1.00 0.00 O ATOM 724 CB CYS A 68 -4.442 -4.799 -9.509 1.00 0.00 C ATOM 725 SG CYS A 68 -5.671 -5.535 -8.406 1.00 0.00 S ATOM 0 H CYS A 68 -2.747 -6.612 -9.864 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.237 -5.914 -11.166 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.482 -4.765 -8.994 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.728 -3.768 -9.718 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.056 -4.651 -7.534 1.00 0.00 H new ATOM 731 N GLY A 69 -2.539 -4.049 -11.649 1.00 0.00 N ATOM 732 CA GLY A 69 -1.931 -3.128 -12.593 1.00 0.00 C ATOM 733 C GLY A 69 -0.436 -3.338 -12.727 1.00 0.00 C ATOM 734 O GLY A 69 0.100 -4.346 -12.267 1.00 0.00 O ATOM 0 H GLY A 69 -1.987 -4.230 -10.811 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.401 -3.250 -13.569 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.124 -2.104 -12.272 1.00 0.00 H new ATOM 738 N LEU A 70 0.238 -2.385 -13.360 1.00 0.00 N ATOM 739 CA LEU A 70 1.681 -2.470 -13.555 1.00 0.00 C ATOM 740 C LEU A 70 2.428 -1.881 -12.362 1.00 0.00 C ATOM 741 O LEU A 70 2.215 -0.727 -11.990 1.00 0.00 O ATOM 742 CB LEU A 70 2.087 -1.737 -14.835 1.00 0.00 C ATOM 743 CG LEU A 70 1.636 -2.381 -16.148 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.756 -1.391 -17.296 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.449 -3.635 -16.434 1.00 0.00 C ATOM 0 H LEU A 70 -0.191 -1.545 -13.747 1.00 0.00 H new ATOM 0 HA LEU A 70 1.948 -3.523 -13.645 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.686 -0.724 -14.793 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.173 -1.649 -14.851 1.00 0.00 H new ATOM 0 HG LEU A 70 0.589 -2.667 -16.050 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.431 -1.866 -18.222 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.129 -0.522 -17.094 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.794 -1.074 -17.396 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.115 -4.080 -17.371 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.504 -3.374 -16.512 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.311 -4.351 -15.624 1.00 0.00 H new ATOM 757 N VAL A 71 3.306 -2.682 -11.766 1.00 0.00 N ATOM 758 CA VAL A 71 4.087 -2.240 -10.617 1.00 0.00 C ATOM 759 C VAL A 71 5.461 -1.740 -11.046 1.00 0.00 C ATOM 760 O VAL A 71 6.384 -2.528 -11.250 1.00 0.00 O ATOM 761 CB VAL A 71 4.264 -3.374 -9.589 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.146 -2.918 -8.438 1.00 0.00 C ATOM 763 CG2 VAL A 71 2.910 -3.847 -9.080 1.00 0.00 C ATOM 0 H VAL A 71 3.494 -3.640 -12.060 1.00 0.00 H new ATOM 0 HA VAL A 71 3.534 -1.423 -10.154 1.00 0.00 H new ATOM 0 HB VAL A 71 4.755 -4.214 -10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.260 -3.732 -7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.126 -2.632 -8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.686 -2.062 -7.944 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.053 -4.648 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.390 -3.016 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.316 -4.216 -9.916 1.00 0.00 H new ATOM 773 N ASP A 72 5.590 -0.424 -11.181 1.00 0.00 N ATOM 774 CA ASP A 72 6.852 0.183 -11.586 1.00 0.00 C ATOM 775 C ASP A 72 7.882 0.092 -10.463 1.00 0.00 C ATOM 776 O ASP A 72 9.037 -0.266 -10.696 1.00 0.00 O ATOM 777 CB ASP A 72 6.637 1.645 -11.979 1.00 0.00 C ATOM 778 CG ASP A 72 6.302 1.806 -13.448 1.00 0.00 C ATOM 779 OD1 ASP A 72 5.495 1.005 -13.964 1.00 0.00 O ATOM 780 OD2 ASP A 72 6.846 2.734 -14.083 1.00 0.00 O ATOM 0 H ASP A 72 4.836 0.242 -11.016 1.00 0.00 H new ATOM 0 HA ASP A 72 7.230 -0.365 -12.449 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.831 2.065 -11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.537 2.216 -11.750 1.00 0.00 H new ATOM 785 N ALA A 73 7.457 0.418 -9.248 1.00 0.00 N ATOM 786 CA ALA A 73 8.341 0.373 -8.091 1.00 0.00 C ATOM 787 C ALA A 73 7.557 0.102 -6.810 1.00 0.00 C ATOM 788 O ALA A 73 6.540 0.744 -6.546 1.00 0.00 O ATOM 789 CB ALA A 73 9.121 1.673 -7.970 1.00 0.00 C ATOM 0 H ALA A 73 6.504 0.717 -9.039 1.00 0.00 H new ATOM 0 HA ALA A 73 9.045 -0.447 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.777 1.624 -7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.720 1.823 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.426 2.505 -7.854 1.00 0.00 H new ATOM 795 N LEU A 74 8.036 -0.852 -6.020 1.00 0.00 N ATOM 796 CA LEU A 74 7.380 -1.208 -4.767 1.00 0.00 C ATOM 797 C LEU A 74 8.321 -1.009 -3.584 1.00 0.00 C ATOM 798 O LEU A 74 9.221 -1.817 -3.350 1.00 0.00 O ATOM 799 CB LEU A 74 6.901 -2.661 -4.814 1.00 0.00 C ATOM 800 CG LEU A 74 6.618 -3.318 -3.464 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.399 -2.688 -2.808 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.420 -4.818 -3.631 1.00 0.00 C ATOM 0 H LEU A 74 8.876 -1.393 -6.225 1.00 0.00 H new ATOM 0 HA LEU A 74 6.519 -0.552 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.992 -2.704 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.654 -3.254 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 74 7.479 -3.155 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.213 -3.169 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.579 -1.624 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.530 -2.819 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.220 -5.269 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.577 -5.002 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.321 -5.259 -4.057 1.00 0.00 H new ATOM 814 N LEU A 75 8.106 0.069 -2.839 1.00 0.00 N ATOM 815 CA LEU A 75 8.933 0.373 -1.676 1.00 0.00 C ATOM 816 C LEU A 75 8.462 -0.406 -0.453 1.00 0.00 C ATOM 817 O LEU A 75 7.295 -0.335 -0.071 1.00 0.00 O ATOM 818 CB LEU A 75 8.902 1.875 -1.382 1.00 0.00 C ATOM 819 CG LEU A 75 9.713 2.339 -0.172 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.202 2.280 -0.473 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.304 3.747 0.236 1.00 0.00 C ATOM 0 H LEU A 75 7.366 0.748 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 75 9.957 0.074 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.265 2.405 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.864 2.175 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 75 9.505 1.667 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.763 2.614 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.484 1.255 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.428 2.928 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.891 4.061 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.482 4.432 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.245 3.758 0.495 1.00 0.00 H new ATOM 833 N MET A 76 9.380 -1.148 0.158 1.00 0.00 N ATOM 834 CA MET A 76 9.059 -1.938 1.341 1.00 0.00 C ATOM 835 C MET A 76 10.039 -1.648 2.473 1.00 0.00 C ATOM 836 O MET A 76 11.129 -2.216 2.542 1.00 0.00 O ATOM 837 CB MET A 76 9.077 -3.431 1.005 1.00 0.00 C ATOM 838 CG MET A 76 7.913 -3.873 0.134 1.00 0.00 C ATOM 839 SD MET A 76 7.671 -5.659 0.149 1.00 0.00 S ATOM 840 CE MET A 76 6.817 -5.873 1.709 1.00 0.00 C ATOM 0 H MET A 76 10.351 -1.219 -0.146 1.00 0.00 H new ATOM 0 HA MET A 76 8.058 -1.659 1.671 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.011 -3.669 0.496 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.064 -4.004 1.932 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.001 -3.384 0.478 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.085 -3.542 -0.890 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.375 -6.567 2.337 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.736 -4.911 2.215 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.819 -6.271 1.526 1.00 0.00 H new ATOM 850 N PRO A 77 9.647 -0.742 3.380 1.00 0.00 N ATOM 851 CA PRO A 77 10.477 -0.355 4.524 1.00 0.00 C ATOM 852 C PRO A 77 10.604 -1.474 5.552 1.00 0.00 C ATOM 853 O PRO A 77 9.631 -2.143 5.901 1.00 0.00 O ATOM 854 CB PRO A 77 9.726 0.837 5.122 1.00 0.00 C ATOM 855 CG PRO A 77 8.309 0.638 4.708 1.00 0.00 C ATOM 856 CD PRO A 77 8.360 -0.024 3.359 1.00 0.00 C ATOM 0 HA PRO A 77 11.500 -0.125 4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.822 0.861 6.208 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.119 1.782 4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.776 0.017 5.428 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.781 1.590 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.522 -0.706 3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.320 0.707 2.551 1.00 0.00 H new ATOM 864 N PRO A 78 11.831 -1.684 6.051 1.00 0.00 N ATOM 865 CA PRO A 78 12.113 -2.721 7.048 1.00 0.00 C ATOM 866 C PRO A 78 11.508 -2.397 8.409 1.00 0.00 C ATOM 867 O PRO A 78 11.509 -1.245 8.841 1.00 0.00 O ATOM 868 CB PRO A 78 13.642 -2.728 7.131 1.00 0.00 C ATOM 869 CG PRO A 78 14.049 -1.360 6.705 1.00 0.00 C ATOM 870 CD PRO A 78 13.037 -0.925 5.682 1.00 0.00 C ATOM 0 HA PRO A 78 11.683 -3.683 6.768 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.983 -2.946 8.143 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.071 -3.490 6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.065 -0.676 7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.053 -1.366 6.282 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.863 0.150 5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.364 -1.158 4.669 1.00 0.00 H new ATOM 878 N ASN A 79 10.992 -3.421 9.082 1.00 0.00 N ATOM 879 CA ASN A 79 10.383 -3.245 10.396 1.00 0.00 C ATOM 880 C ASN A 79 9.232 -2.245 10.331 1.00 0.00 C ATOM 881 O ASN A 79 9.079 -1.399 11.213 1.00 0.00 O ATOM 882 CB ASN A 79 11.430 -2.770 11.406 1.00 0.00 C ATOM 883 CG ASN A 79 12.303 -3.903 11.909 1.00 0.00 C ATOM 884 OD1 ASN A 79 11.846 -5.037 12.052 1.00 0.00 O ATOM 885 ND2 ASN A 79 13.566 -3.600 12.181 1.00 0.00 N ATOM 0 H ASN A 79 10.983 -4.382 8.739 1.00 0.00 H new ATOM 0 HA ASN A 79 9.987 -4.208 10.719 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.058 -2.009 10.943 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.928 -2.299 12.251 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.201 -4.321 12.524 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.902 -2.646 12.047 1.00 0.00 H new ATOM 892 N LYS A 80 8.423 -2.349 9.282 1.00 0.00 N ATOM 893 CA LYS A 80 7.284 -1.457 9.102 1.00 0.00 C ATOM 894 C LYS A 80 6.073 -2.221 8.577 1.00 0.00 C ATOM 895 O LYS A 80 6.112 -2.840 7.513 1.00 0.00 O ATOM 896 CB LYS A 80 7.645 -0.325 8.137 1.00 0.00 C ATOM 897 CG LYS A 80 8.545 0.734 8.750 1.00 0.00 C ATOM 898 CD LYS A 80 7.842 1.484 9.868 1.00 0.00 C ATOM 899 CE LYS A 80 8.717 2.594 10.432 1.00 0.00 C ATOM 900 NZ LYS A 80 9.201 3.513 9.365 1.00 0.00 N ATOM 0 H LYS A 80 8.535 -3.043 8.543 1.00 0.00 H new ATOM 0 HA LYS A 80 7.030 -1.031 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.140 -0.748 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.728 0.148 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.449 0.264 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.857 1.438 7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.911 1.909 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.577 0.788 10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.152 3.161 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.571 2.156 10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.648 4.345 9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.895 3.018 8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.398 3.819 8.779 1.00 0.00 H new ATOM 914 N PRO A 81 4.969 -2.176 9.338 1.00 0.00 N ATOM 915 CA PRO A 81 3.724 -2.856 8.968 1.00 0.00 C ATOM 916 C PRO A 81 3.043 -2.206 7.768 1.00 0.00 C ATOM 917 O PRO A 81 1.992 -2.663 7.317 1.00 0.00 O ATOM 918 CB PRO A 81 2.856 -2.712 10.219 1.00 0.00 C ATOM 919 CG PRO A 81 3.375 -1.494 10.902 1.00 0.00 C ATOM 920 CD PRO A 81 4.850 -1.457 10.617 1.00 0.00 C ATOM 0 HA PRO A 81 3.897 -3.890 8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.803 -2.602 9.960 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.937 -3.590 10.860 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.882 -0.597 10.527 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.186 -1.537 11.975 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.218 -0.434 10.539 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.424 -1.943 11.406 1.00 0.00 H new ATOM 928 N TYR A 82 3.649 -1.141 7.255 1.00 0.00 N ATOM 929 CA TYR A 82 3.098 -0.428 6.109 1.00 0.00 C ATOM 930 C TYR A 82 4.145 -0.275 5.010 1.00 0.00 C ATOM 931 O TYR A 82 5.331 -0.094 5.285 1.00 0.00 O ATOM 932 CB TYR A 82 2.586 0.949 6.535 1.00 0.00 C ATOM 933 CG TYR A 82 3.665 1.851 7.089 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.562 2.494 6.243 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.790 2.062 8.457 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.550 3.319 6.743 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.774 2.886 8.966 1.00 0.00 C ATOM 938 CZ TYR A 82 5.652 3.512 8.105 1.00 0.00 C ATOM 939 OH TYR A 82 6.635 4.334 8.608 1.00 0.00 O ATOM 0 H TYR A 82 4.521 -0.753 7.614 1.00 0.00 H new ATOM 0 HA TYR A 82 2.265 -1.012 5.716 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.122 1.436 5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.809 0.821 7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.485 2.346 5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.105 1.573 9.134 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.239 3.810 6.072 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.856 3.040 10.032 1.00 0.00 H new ATOM 0 HH TYR A 82 6.569 4.363 9.585 1.00 0.00 H new ATOM 949 N SER A 83 3.697 -0.349 3.760 1.00 0.00 N ATOM 950 CA SER A 83 4.593 -0.222 2.618 1.00 0.00 C ATOM 951 C SER A 83 4.058 0.801 1.619 1.00 0.00 C ATOM 952 O SER A 83 2.981 1.366 1.807 1.00 0.00 O ATOM 953 CB SER A 83 4.773 -1.576 1.931 1.00 0.00 C ATOM 954 OG SER A 83 5.488 -2.477 2.759 1.00 0.00 O ATOM 0 H SER A 83 2.718 -0.496 3.514 1.00 0.00 H new ATOM 0 HA SER A 83 5.560 0.123 2.983 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.797 -1.997 1.688 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.306 -1.442 0.989 1.00 0.00 H new ATOM 0 HG SER A 83 5.718 -2.034 3.602 1.00 0.00 H new ATOM 960 N PHE A 84 4.819 1.032 0.554 1.00 0.00 N ATOM 961 CA PHE A 84 4.425 1.986 -0.476 1.00 0.00 C ATOM 962 C PHE A 84 4.664 1.413 -1.869 1.00 0.00 C ATOM 963 O PHE A 84 5.754 0.928 -2.173 1.00 0.00 O ATOM 964 CB PHE A 84 5.197 3.296 -0.310 1.00 0.00 C ATOM 965 CG PHE A 84 5.129 3.861 1.080 1.00 0.00 C ATOM 966 CD1 PHE A 84 4.002 4.542 1.510 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.192 3.711 1.956 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.936 5.063 2.789 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.131 4.230 3.235 1.00 0.00 C ATOM 970 CZ PHE A 84 5.003 4.907 3.652 1.00 0.00 C ATOM 0 H PHE A 84 5.713 0.571 0.382 1.00 0.00 H new ATOM 0 HA PHE A 84 3.359 2.185 -0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.241 3.129 -0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.804 4.031 -1.012 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.165 4.667 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.078 3.183 1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.051 5.591 3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.966 4.106 3.908 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.955 5.314 4.651 1.00 0.00 H new ATOM 980 N ALA A 85 3.639 1.473 -2.712 1.00 0.00 N ATOM 981 CA ALA A 85 3.737 0.962 -4.074 1.00 0.00 C ATOM 982 C ALA A 85 3.627 2.091 -5.093 1.00 0.00 C ATOM 983 O ALA A 85 3.025 3.129 -4.821 1.00 0.00 O ATOM 984 CB ALA A 85 2.662 -0.085 -4.324 1.00 0.00 C ATOM 0 H ALA A 85 2.730 1.871 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 85 4.715 0.496 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.747 -0.458 -5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.789 -0.911 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.678 0.363 -4.182 1.00 0.00 H new ATOM 990 N ARG A 86 4.213 1.881 -6.268 1.00 0.00 N ATOM 991 CA ARG A 86 4.181 2.882 -7.327 1.00 0.00 C ATOM 992 C ARG A 86 3.752 2.258 -8.652 1.00 0.00 C ATOM 993 O ARG A 86 4.536 1.573 -9.309 1.00 0.00 O ATOM 994 CB ARG A 86 5.555 3.536 -7.480 1.00 0.00 C ATOM 995 CG ARG A 86 5.499 4.942 -8.055 1.00 0.00 C ATOM 996 CD ARG A 86 6.875 5.590 -8.075 1.00 0.00 C ATOM 997 NE ARG A 86 7.586 5.325 -9.322 1.00 0.00 N ATOM 998 CZ ARG A 86 7.181 5.765 -10.508 1.00 0.00 C ATOM 999 NH1 ARG A 86 6.075 6.489 -10.608 1.00 0.00 N ATOM 1000 NH2 ARG A 86 7.883 5.482 -11.598 1.00 0.00 N ATOM 0 H ARG A 86 4.715 1.027 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 86 3.452 3.644 -7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.042 3.570 -6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.175 2.913 -8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.097 4.907 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.817 5.552 -7.463 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.771 6.666 -7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.463 5.218 -7.236 1.00 0.00 H new ATOM 0 HE ARG A 86 8.441 4.771 -9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.533 6.710 -9.773 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.766 6.826 -11.520 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.735 4.926 -11.526 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.571 5.821 -12.508 1.00 0.00 H new ATOM 1014 N TYR A 87 2.504 2.500 -9.037 1.00 0.00 N ATOM 1015 CA TYR A 87 1.970 1.959 -10.281 1.00 0.00 C ATOM 1016 C TYR A 87 2.512 2.726 -11.485 1.00 0.00 C ATOM 1017 O TYR A 87 3.265 3.687 -11.334 1.00 0.00 O ATOM 1018 CB TYR A 87 0.442 2.016 -10.273 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.200 0.892 -9.490 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.449 1.020 -8.129 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.557 -0.298 -10.112 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -1.035 -0.004 -7.411 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.145 -1.327 -9.401 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.382 -1.176 -8.051 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.966 -2.199 -7.340 1.00 0.00 O ATOM 0 H TYR A 87 1.843 3.067 -8.506 1.00 0.00 H new ATOM 0 HA TYR A 87 2.287 0.919 -10.361 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.124 2.970 -9.851 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.080 1.985 -11.301 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.180 1.936 -7.624 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.372 -0.421 -11.169 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.221 0.112 -6.353 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.418 -2.245 -9.900 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.235 -2.913 -7.955 1.00 0.00 H new ATOM 1035 N ARG A 88 2.119 2.294 -12.678 1.00 0.00 N ATOM 1036 CA ARG A 88 2.564 2.938 -13.909 1.00 0.00 C ATOM 1037 C ARG A 88 1.621 4.072 -14.300 1.00 0.00 C ATOM 1038 O ARG A 88 2.051 5.100 -14.822 1.00 0.00 O ATOM 1039 CB ARG A 88 2.648 1.915 -15.043 1.00 0.00 C ATOM 1040 CG ARG A 88 3.062 2.517 -16.376 1.00 0.00 C ATOM 1041 CD ARG A 88 4.574 2.535 -16.535 1.00 0.00 C ATOM 1042 NE ARG A 88 5.080 1.281 -17.088 1.00 0.00 N ATOM 1043 CZ ARG A 88 6.330 1.114 -17.503 1.00 0.00 C ATOM 1044 NH1 ARG A 88 7.199 2.114 -17.426 1.00 0.00 N ATOM 1045 NH2 ARG A 88 6.717 -0.057 -17.995 1.00 0.00 N ATOM 0 H ARG A 88 1.493 1.501 -12.819 1.00 0.00 H new ATOM 0 HA ARG A 88 3.555 3.357 -13.733 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.361 1.138 -14.768 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.678 1.432 -15.158 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.617 1.944 -17.189 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.675 3.533 -16.453 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.860 3.361 -17.187 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.039 2.718 -15.566 1.00 0.00 H new ATOM 0 HE ARG A 88 4.438 0.491 -17.159 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.907 3.015 -17.047 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.158 1.982 -17.746 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.054 -0.830 -18.054 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.678 -0.184 -18.314 1.00 0.00 H new ATOM 1059 N THR A 89 0.330 3.876 -14.045 1.00 0.00 N ATOM 1060 CA THR A 89 -0.674 4.880 -14.372 1.00 0.00 C ATOM 1061 C THR A 89 -1.714 4.997 -13.264 1.00 0.00 C ATOM 1062 O THR A 89 -2.165 3.994 -12.711 1.00 0.00 O ATOM 1063 CB THR A 89 -1.386 4.551 -15.698 1.00 0.00 C ATOM 1064 OG1 THR A 89 -2.106 3.321 -15.574 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.384 4.448 -16.838 1.00 0.00 C ATOM 0 H THR A 89 -0.044 3.031 -13.613 1.00 0.00 H new ATOM 0 HA THR A 89 -0.150 5.830 -14.476 1.00 0.00 H new ATOM 0 HB THR A 89 -2.084 5.358 -15.922 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.557 3.119 -16.420 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.909 4.215 -17.764 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.141 5.397 -16.948 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.335 3.658 -16.620 1.00 0.00 H new ATOM 1073 N THR A 90 -2.095 6.231 -12.944 1.00 0.00 N ATOM 1074 CA THR A 90 -3.083 6.479 -11.903 1.00 0.00 C ATOM 1075 C THR A 90 -4.205 5.450 -11.952 1.00 0.00 C ATOM 1076 O THR A 90 -4.444 4.732 -10.982 1.00 0.00 O ATOM 1077 CB THR A 90 -3.690 7.889 -12.028 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.676 8.826 -12.413 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.318 8.328 -10.714 1.00 0.00 C ATOM 0 H THR A 90 -1.733 7.073 -13.392 1.00 0.00 H new ATOM 0 HA THR A 90 -2.562 6.399 -10.949 1.00 0.00 H new ATOM 0 HB THR A 90 -4.467 7.859 -12.791 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.070 9.720 -12.492 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.740 9.327 -10.828 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.108 7.630 -10.437 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.557 8.342 -9.934 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.890 5.382 -13.089 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.989 4.439 -13.265 1.00 0.00 C ATOM 1089 C GLU A 91 -5.719 3.143 -12.505 1.00 0.00 C ATOM 1090 O GLU A 91 -6.440 2.798 -11.570 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.201 4.139 -14.750 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.541 5.367 -15.577 1.00 0.00 C ATOM 1093 CD GLU A 91 -6.623 5.066 -17.060 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -7.232 4.038 -17.424 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -6.079 5.859 -17.858 1.00 0.00 O ATOM 0 H GLU A 91 -4.704 5.969 -13.902 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.894 4.895 -12.862 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.298 3.680 -15.152 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.003 3.408 -14.853 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.494 5.775 -15.240 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.787 6.135 -15.407 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.674 2.430 -12.916 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.310 1.172 -12.276 1.00 0.00 C ATOM 1104 C GLU A 92 -4.304 1.316 -10.757 1.00 0.00 C ATOM 1105 O GLU A 92 -5.008 0.593 -10.052 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.936 0.706 -12.760 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.893 0.372 -14.242 1.00 0.00 C ATOM 1108 CD GLU A 92 -3.981 -0.602 -14.652 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -5.129 -0.157 -14.855 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -3.682 -1.809 -14.768 1.00 0.00 O ATOM 0 H GLU A 92 -4.066 2.702 -13.688 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.056 0.426 -12.550 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.203 1.485 -12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.638 -0.174 -12.189 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.995 1.290 -14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.919 -0.052 -14.487 1.00 0.00 H new ATOM 1117 N SER A 93 -3.504 2.254 -10.260 1.00 0.00 N ATOM 1118 CA SER A 93 -3.403 2.491 -8.825 1.00 0.00 C ATOM 1119 C SER A 93 -4.782 2.473 -8.173 1.00 0.00 C ATOM 1120 O SER A 93 -5.042 1.685 -7.264 1.00 0.00 O ATOM 1121 CB SER A 93 -2.716 3.830 -8.555 1.00 0.00 C ATOM 1122 OG SER A 93 -3.066 4.335 -7.278 1.00 0.00 O ATOM 0 H SER A 93 -2.916 2.862 -10.830 1.00 0.00 H new ATOM 0 HA SER A 93 -2.805 1.690 -8.391 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.635 3.706 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.999 4.549 -9.324 1.00 0.00 H new ATOM 0 HG SER A 93 -3.369 5.263 -7.365 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.663 3.349 -8.643 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.017 3.436 -8.108 1.00 0.00 C ATOM 1130 C LYS A 94 -7.687 2.065 -8.097 1.00 0.00 C ATOM 1131 O LYS A 94 -8.232 1.639 -7.080 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.852 4.417 -8.935 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.515 5.874 -8.672 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.766 6.736 -9.897 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.243 7.070 -10.051 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.709 8.013 -8.996 1.00 0.00 N ATOM 0 H LYS A 94 -5.464 4.010 -9.394 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.953 3.798 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.704 4.204 -9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.908 4.253 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.114 6.242 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.470 5.958 -8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.190 7.658 -9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.415 6.215 -10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.416 7.509 -11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.830 6.153 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.736 8.150 -9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.490 7.621 -8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.227 8.927 -9.110 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.640 1.381 -9.235 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.242 0.058 -9.356 1.00 0.00 C ATOM 1152 C ARG A 95 -7.835 -0.834 -8.187 1.00 0.00 C ATOM 1153 O ARG A 95 -8.664 -1.538 -7.612 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.829 -0.594 -10.677 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.219 -2.060 -10.780 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.294 -2.818 -11.719 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.617 -4.241 -11.775 1.00 0.00 N ATOM 1158 CZ ARG A 95 -8.598 -4.743 -12.517 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -9.349 -3.942 -13.261 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.831 -6.049 -12.516 1.00 0.00 N ATOM 0 H ARG A 95 -7.192 1.720 -10.086 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.325 0.176 -9.340 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.286 -0.046 -11.501 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.749 -0.505 -10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.188 -2.516 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.246 -2.140 -11.136 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.364 -2.391 -12.719 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.262 -2.693 -11.390 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.059 -4.885 -11.214 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.174 -2.937 -13.265 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.101 -4.331 -13.829 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.257 -6.669 -11.945 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.585 -6.433 -13.086 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.552 -0.798 -7.841 1.00 0.00 N ATOM 1175 CA ALA A 96 -6.034 -1.601 -6.740 1.00 0.00 C ATOM 1176 C ALA A 96 -6.453 -1.021 -5.394 1.00 0.00 C ATOM 1177 O ALA A 96 -6.691 -1.757 -4.436 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.519 -1.702 -6.827 1.00 0.00 C ATOM 0 H ALA A 96 -5.852 -0.221 -8.308 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.458 -2.602 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.146 -2.304 -5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.239 -2.170 -7.771 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.084 -0.704 -6.774 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.538 0.303 -5.327 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.925 0.982 -4.096 1.00 0.00 C ATOM 1186 C TYR A 97 -8.358 0.633 -3.708 1.00 0.00 C ATOM 1187 O TYR A 97 -8.677 0.491 -2.526 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.784 2.497 -4.258 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.560 3.291 -3.232 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.005 3.596 -1.995 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.848 3.739 -3.501 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.711 4.321 -1.055 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.561 4.465 -2.566 1.00 0.00 C ATOM 1194 CZ TYR A 97 -8.988 4.753 -1.345 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.694 5.476 -0.412 1.00 0.00 O ATOM 0 H TYR A 97 -6.344 0.927 -6.110 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.260 0.644 -3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.730 2.764 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.121 2.780 -5.255 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.005 3.260 -1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.299 3.516 -4.457 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.265 4.548 -0.098 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.561 4.805 -2.790 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.576 5.704 -0.774 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.220 0.496 -4.711 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.620 0.161 -4.477 1.00 0.00 C ATOM 1207 C VAL A 98 -10.830 -1.349 -4.469 1.00 0.00 C ATOM 1208 O VAL A 98 -11.789 -1.851 -3.882 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.533 0.790 -5.544 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -12.992 0.691 -5.126 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.139 2.238 -5.796 1.00 0.00 C ATOM 0 H VAL A 98 -8.973 0.612 -5.694 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.883 0.566 -3.500 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.409 0.236 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.622 1.141 -5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.265 -0.357 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.137 1.218 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.795 2.667 -6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.232 2.807 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.107 2.279 -6.145 1.00 0.00 H new ATOM 1221 N THR A 99 -9.926 -2.070 -5.124 1.00 0.00 N ATOM 1222 CA THR A 99 -10.011 -3.523 -5.194 1.00 0.00 C ATOM 1223 C THR A 99 -9.228 -4.176 -4.061 1.00 0.00 C ATOM 1224 O THR A 99 -9.791 -4.896 -3.236 1.00 0.00 O ATOM 1225 CB THR A 99 -9.482 -4.053 -6.540 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.393 -3.714 -7.592 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.296 -5.563 -6.492 1.00 0.00 C ATOM 0 H THR A 99 -9.126 -1.671 -5.614 1.00 0.00 H new ATOM 0 HA THR A 99 -11.066 -3.782 -5.099 1.00 0.00 H new ATOM 0 HB THR A 99 -8.515 -3.589 -6.733 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.138 -2.851 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.922 -5.914 -7.454 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.581 -5.817 -5.710 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.252 -6.041 -6.278 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.924 -3.919 -4.025 1.00 0.00 N ATOM 1236 CA LEU A 100 -7.062 -4.480 -2.991 1.00 0.00 C ATOM 1237 C LEU A 100 -7.545 -4.080 -1.602 1.00 0.00 C ATOM 1238 O LEU A 100 -7.788 -4.933 -0.749 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.619 -4.016 -3.196 1.00 0.00 C ATOM 1240 CG LEU A 100 -5.055 -4.177 -4.608 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.576 -3.820 -4.636 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.271 -5.598 -5.109 1.00 0.00 C ATOM 0 H LEU A 100 -7.441 -3.326 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.102 -5.566 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.554 -2.964 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.980 -4.567 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.586 -3.494 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.192 -3.941 -5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.445 -2.785 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.030 -4.478 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.864 -5.695 -6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.766 -6.299 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.338 -5.819 -5.127 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.685 -2.777 -1.382 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.142 -2.264 -0.096 1.00 0.00 C ATOM 1256 C ASN A 101 -9.331 -3.068 0.420 1.00 0.00 C ATOM 1257 O ASN A 101 -10.441 -2.958 -0.100 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.526 -0.788 -0.219 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.809 -0.149 1.127 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.430 -0.758 1.997 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.352 1.086 1.304 1.00 0.00 N ATOM 0 H ASN A 101 -7.489 -2.057 -2.078 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.323 -2.362 0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.720 -0.246 -0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.407 -0.697 -0.854 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.511 1.567 2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.842 1.553 0.555 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.091 -3.878 1.448 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.151 -4.688 2.017 1.00 0.00 C ATOM 1270 C GLY A 102 -10.152 -6.105 1.476 1.00 0.00 C ATOM 1271 O GLY A 102 -11.141 -6.827 1.608 1.00 0.00 O ATOM 0 H GLY A 102 -8.181 -3.987 1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.040 -4.716 3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.113 -4.221 1.807 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.042 -6.503 0.863 1.00 0.00 N ATOM 1276 CA LYS A 103 -8.917 -7.842 0.300 1.00 0.00 C ATOM 1277 C LYS A 103 -8.198 -8.775 1.268 1.00 0.00 C ATOM 1278 O LYS A 103 -7.405 -8.332 2.097 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.163 -7.789 -1.030 1.00 0.00 C ATOM 1280 CG LYS A 103 -7.894 -9.157 -1.632 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.528 -9.058 -3.103 1.00 0.00 C ATOM 1282 CE LYS A 103 -6.925 -10.357 -3.617 1.00 0.00 C ATOM 1283 NZ LYS A 103 -7.069 -10.489 -5.094 1.00 0.00 N ATOM 0 H LYS A 103 -8.216 -5.917 0.744 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.920 -8.231 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.738 -7.195 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.214 -7.275 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.084 -9.642 -1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.777 -9.786 -1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.417 -8.813 -3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.818 -8.244 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.869 -10.398 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.411 -11.201 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.646 -11.387 -5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.078 -10.475 -5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.584 -9.697 -5.562 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.480 -10.069 1.155 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.858 -11.064 2.022 1.00 0.00 C ATOM 1299 C GLU A 104 -6.678 -11.732 1.323 1.00 0.00 C ATOM 1300 O GLU A 104 -6.779 -12.147 0.168 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.883 -12.121 2.439 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.625 -11.778 3.720 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.188 -13.001 4.414 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -10.965 -13.741 3.777 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -9.851 -13.220 5.598 1.00 0.00 O ATOM 0 H GLU A 104 -9.134 -10.453 0.473 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.490 -10.554 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.606 -12.251 1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.375 -13.077 2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.949 -11.259 4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.438 -11.089 3.491 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.558 -11.833 2.031 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.358 -12.451 1.480 1.00 0.00 C ATOM 1314 C VAL A 105 -3.680 -13.349 2.509 1.00 0.00 C ATOM 1315 O VAL A 105 -3.514 -12.968 3.668 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.351 -11.389 0.998 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.872 -10.684 -0.245 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -3.059 -10.389 2.107 1.00 0.00 C ATOM 0 H VAL A 105 -5.457 -11.495 2.988 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.674 -13.054 0.629 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.418 -11.889 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.147 -9.938 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.024 -11.414 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.819 -10.195 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.346 -9.646 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.983 -9.892 2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.638 -10.911 2.966 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.288 -14.543 2.078 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.627 -15.496 2.962 1.00 0.00 C ATOM 1330 C VAL A 106 -1.170 -15.109 3.194 1.00 0.00 C ATOM 1331 O VAL A 106 -0.332 -15.241 2.301 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.682 -16.925 2.390 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.654 -17.814 3.072 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.081 -17.503 2.536 1.00 0.00 C ATOM 0 H VAL A 106 -3.417 -14.874 1.122 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.163 -15.472 3.911 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.441 -16.882 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.708 -18.819 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.656 -17.407 2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.860 -17.854 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.102 -18.513 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.354 -17.533 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.791 -16.878 1.995 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.875 -14.634 4.399 1.00 0.00 N ATOM 1345 CA ASP A 107 0.482 -14.229 4.749 1.00 0.00 C ATOM 1346 C ASP A 107 1.380 -15.447 4.941 1.00 0.00 C ATOM 1347 O ASP A 107 0.917 -16.587 4.880 1.00 0.00 O ATOM 1348 CB ASP A 107 0.471 -13.383 6.022 1.00 0.00 C ATOM 1349 CG ASP A 107 0.407 -14.227 7.279 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.142 -15.347 7.214 1.00 0.00 O ATOM 1351 OD2 ASP A 107 0.904 -13.769 8.330 1.00 0.00 O ATOM 0 H ASP A 107 -1.556 -14.520 5.149 1.00 0.00 H new ATOM 0 HA ASP A 107 0.880 -13.632 3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.367 -12.763 6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.384 -12.707 5.998 1.00 0.00 H new ATOM 1356 N ASP A 108 2.664 -15.199 5.173 1.00 0.00 N ATOM 1357 CA ASP A 108 3.627 -16.275 5.374 1.00 0.00 C ATOM 1358 C ASP A 108 3.123 -17.267 6.419 1.00 0.00 C ATOM 1359 O ASP A 108 3.271 -18.480 6.260 1.00 0.00 O ATOM 1360 CB ASP A 108 4.979 -15.705 5.806 1.00 0.00 C ATOM 1361 CG ASP A 108 6.112 -16.692 5.612 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.158 -17.696 6.354 1.00 0.00 O ATOM 1363 OD2 ASP A 108 6.955 -16.463 4.719 1.00 0.00 O ATOM 0 H ASP A 108 3.062 -14.262 5.227 1.00 0.00 H new ATOM 0 HA ASP A 108 3.749 -16.801 4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.188 -14.800 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 108 4.929 -15.415 6.856 1.00 0.00 H new ATOM 1368 N LEU A 109 2.529 -16.745 7.485 1.00 0.00 N ATOM 1369 CA LEU A 109 2.003 -17.584 8.556 1.00 0.00 C ATOM 1370 C LEU A 109 0.915 -18.517 8.034 1.00 0.00 C ATOM 1371 O LEU A 109 0.719 -19.613 8.555 1.00 0.00 O ATOM 1372 CB LEU A 109 1.447 -16.716 9.686 1.00 0.00 C ATOM 1373 CG LEU A 109 2.411 -15.685 10.276 1.00 0.00 C ATOM 1374 CD1 LEU A 109 1.725 -14.877 11.367 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.656 -16.370 10.820 1.00 0.00 C ATOM 0 H LEU A 109 2.399 -15.744 7.631 1.00 0.00 H new ATOM 0 HA LEU A 109 2.822 -18.191 8.942 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.567 -16.191 9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.111 -17.372 10.489 1.00 0.00 H new ATOM 0 HG LEU A 109 2.714 -15.002 9.482 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.426 -14.149 11.775 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.864 -14.357 10.948 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.393 -15.546 12.161 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.331 -15.622 11.236 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.371 -17.076 11.600 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.159 -16.904 10.014 1.00 0.00 H new ATOM 1387 N GLY A 110 0.209 -18.072 6.997 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.849 -18.879 6.419 1.00 0.00 C ATOM 1389 C GLY A 110 -2.230 -18.356 6.761 1.00 0.00 C ATOM 1390 O GLY A 110 -3.233 -19.017 6.498 1.00 0.00 O ATOM 0 H GLY A 110 0.352 -17.167 6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.732 -18.905 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.754 -19.905 6.774 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.280 -17.164 7.347 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.549 -16.553 7.727 1.00 0.00 C ATOM 1396 C GLN A 111 -3.976 -15.507 6.703 1.00 0.00 C ATOM 1397 O GLN A 111 -3.143 -14.799 6.137 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.437 -15.913 9.112 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.911 -16.860 10.179 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.301 -16.434 11.580 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -4.475 -16.482 11.951 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -2.318 -16.016 12.368 1.00 0.00 N ATOM 0 H GLN A 111 -1.458 -16.603 7.569 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.307 -17.336 7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.779 -15.046 9.051 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.418 -15.547 9.414 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.292 -17.863 9.989 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.825 -16.913 10.109 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.360 -15.993 12.019 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.521 -15.718 13.322 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.281 -15.413 6.470 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.820 -14.452 5.515 1.00 0.00 C ATOM 1413 C LYS A 112 -6.009 -13.085 6.166 1.00 0.00 C ATOM 1414 O LYS A 112 -7.003 -12.847 6.852 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.156 -14.952 4.957 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.029 -16.201 4.104 1.00 0.00 C ATOM 1417 CD LYS A 112 -8.136 -16.283 3.066 1.00 0.00 C ATOM 1418 CE LYS A 112 -7.860 -17.375 2.042 1.00 0.00 C ATOM 1419 NZ LYS A 112 -9.070 -17.697 1.237 1.00 0.00 N ATOM 0 H LYS A 112 -5.985 -15.991 6.930 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.106 -14.350 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.833 -15.156 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.611 -14.160 4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.060 -16.205 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.062 -17.084 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.087 -16.479 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.233 -15.323 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.056 -17.056 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.514 -18.273 2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.842 -18.445 0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.829 -18.025 1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.386 -16.846 0.729 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.051 -12.192 5.944 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.114 -10.849 6.507 1.00 0.00 C ATOM 1435 C ILE A 113 -5.783 -9.879 5.540 1.00 0.00 C ATOM 1436 O ILE A 113 -5.859 -10.134 4.338 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.711 -10.320 6.859 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.889 -11.410 7.550 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.816 -9.087 7.744 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.472 -10.988 7.868 1.00 0.00 C ATOM 0 H ILE A 113 -4.222 -12.374 5.378 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.707 -10.916 7.419 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.203 -10.039 5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.389 -11.700 8.474 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.862 -12.293 6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.816 -8.725 7.984 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.367 -8.308 7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.340 -9.344 8.665 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.949 -11.810 8.357 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.955 -10.726 6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.490 -10.124 8.532 1.00 0.00 H new ATOM 1452 N THR A 114 -6.268 -8.761 6.073 1.00 0.00 N ATOM 1453 CA THR A 114 -6.930 -7.750 5.258 1.00 0.00 C ATOM 1454 C THR A 114 -6.078 -6.492 5.143 1.00 0.00 C ATOM 1455 O THR A 114 -6.084 -5.641 6.034 1.00 0.00 O ATOM 1456 CB THR A 114 -8.307 -7.375 5.839 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.040 -8.559 6.166 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.101 -6.537 4.848 1.00 0.00 C ATOM 0 H THR A 114 -6.214 -8.533 7.066 1.00 0.00 H new ATOM 0 HA THR A 114 -7.068 -8.182 4.267 1.00 0.00 H new ATOM 0 HB THR A 114 -8.148 -6.787 6.743 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.913 -8.312 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.069 -6.284 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.553 -5.622 4.624 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.250 -7.104 3.929 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.347 -6.377 4.040 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.489 -5.219 3.808 1.00 0.00 C ATOM 1468 C LEU A 115 -5.277 -4.077 3.175 1.00 0.00 C ATOM 1469 O LEU A 115 -6.113 -4.296 2.299 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.314 -5.604 2.907 1.00 0.00 C ATOM 1471 CG LEU A 115 -2.633 -6.935 3.225 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -1.490 -7.195 2.256 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.130 -6.949 4.662 1.00 0.00 C ATOM 0 H LEU A 115 -5.331 -7.071 3.292 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.106 -4.882 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.668 -5.637 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.566 -4.813 2.962 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.368 -7.732 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.017 -8.147 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.877 -7.231 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.755 -6.394 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.648 -7.905 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.411 -6.142 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -2.970 -6.811 5.343 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.002 -2.857 3.624 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.685 -1.679 3.102 1.00 0.00 C ATOM 1487 C TYR A 116 -4.752 -0.854 2.222 1.00 0.00 C ATOM 1488 O TYR A 116 -3.548 -1.106 2.165 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.214 -0.819 4.251 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.504 -1.333 4.848 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.527 -2.498 5.605 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -8.700 -0.652 4.657 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.704 -2.971 6.151 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -9.882 -1.118 5.201 1.00 0.00 C ATOM 1495 CZ TYR A 116 -9.878 -2.278 5.947 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.053 -2.745 6.491 1.00 0.00 O ATOM 0 H TYR A 116 -4.311 -2.658 4.348 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.524 -2.017 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.457 -0.767 5.033 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.370 0.198 3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.609 -3.043 5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -8.706 0.257 4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.705 -3.879 6.735 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -10.803 -0.577 5.043 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.786 -2.140 6.254 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.316 0.134 1.536 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.536 0.999 0.658 1.00 0.00 C ATOM 1508 C LEU A 117 -5.043 2.437 0.717 1.00 0.00 C ATOM 1509 O LEU A 117 -6.230 2.695 0.520 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.596 0.485 -0.782 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.690 -0.702 -1.108 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.314 -2.000 -0.619 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.416 -0.770 -2.604 1.00 0.00 C ATOM 0 H LEU A 117 -6.311 0.356 1.571 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.501 0.984 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.625 0.203 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.340 1.307 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.741 -0.562 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.655 -2.834 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.457 -1.951 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.278 -2.147 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.769 -1.621 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.357 -0.886 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.925 0.148 -2.926 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.136 3.368 0.989 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.491 4.780 1.074 1.00 0.00 C ATOM 1527 C ASN A 118 -3.735 5.594 0.029 1.00 0.00 C ATOM 1528 O ASN A 118 -2.540 5.391 -0.188 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.191 5.321 2.474 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.312 5.039 3.455 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -6.323 4.432 3.102 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -5.138 5.483 4.695 1.00 0.00 N ATOM 0 H ASN A 118 -3.149 3.171 1.155 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.559 4.873 0.878 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.268 4.874 2.843 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.024 6.397 2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.859 5.325 5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.283 5.982 4.943 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.439 6.519 -0.617 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.835 7.364 -1.640 1.00 0.00 C ATOM 1541 C PHE A 119 -2.806 8.309 -1.026 1.00 0.00 C ATOM 1542 O PHE A 119 -3.140 9.160 -0.203 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.914 8.170 -2.368 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.727 7.352 -3.329 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.121 6.710 -4.398 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.097 7.225 -3.166 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.867 5.955 -5.284 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.847 6.472 -4.049 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.231 5.838 -5.110 1.00 0.00 C ATOM 0 H PHE A 119 -5.428 6.702 -0.450 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.328 6.718 -2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.580 8.619 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.441 8.989 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.054 6.801 -4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.584 7.720 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.383 5.457 -6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.914 6.379 -3.910 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.816 5.251 -5.803 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.549 8.151 -1.434 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.470 8.988 -0.926 1.00 0.00 C ATOM 1561 C VAL A 120 0.184 9.783 -2.051 1.00 0.00 C ATOM 1562 O VAL A 120 0.167 9.367 -3.208 1.00 0.00 O ATOM 1563 CB VAL A 120 0.605 8.147 -0.213 1.00 0.00 C ATOM 1564 CG1 VAL A 120 0.152 7.783 1.193 1.00 0.00 C ATOM 1565 CG2 VAL A 120 0.925 6.898 -1.019 1.00 0.00 C ATOM 0 H VAL A 120 -1.255 7.451 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.915 9.678 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 120 1.514 8.743 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.924 7.189 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.022 8.694 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.771 7.205 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 120 1.687 6.316 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.023 6.297 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.295 7.185 -2.003 1.00 0.00 H new ATOM 1575 N GLU A 121 0.762 10.929 -1.700 1.00 0.00 N ATOM 1576 CA GLU A 121 1.422 11.781 -2.681 1.00 0.00 C ATOM 1577 C GLU A 121 2.906 11.931 -2.359 1.00 0.00 C ATOM 1578 O GLU A 121 3.743 12.019 -3.258 1.00 0.00 O ATOM 1579 CB GLU A 121 0.757 13.158 -2.724 1.00 0.00 C ATOM 1580 CG GLU A 121 0.748 13.872 -1.382 1.00 0.00 C ATOM 1581 CD GLU A 121 0.311 15.319 -1.495 1.00 0.00 C ATOM 1582 OE1 GLU A 121 0.505 15.916 -2.575 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -0.225 15.857 -0.502 1.00 0.00 O ATOM 0 H GLU A 121 0.786 11.287 -0.745 1.00 0.00 H new ATOM 0 HA GLU A 121 1.325 11.308 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.276 13.780 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.269 13.046 -3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.080 13.347 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.746 13.831 -0.946 1.00 0.00 H new ATOM 1590 N LYS A 122 3.226 11.962 -1.071 1.00 0.00 N ATOM 1591 CA LYS A 122 4.609 12.101 -0.628 1.00 0.00 C ATOM 1592 C LYS A 122 5.083 10.836 0.079 1.00 0.00 C ATOM 1593 O LYS A 122 4.561 10.466 1.131 1.00 0.00 O ATOM 1594 CB LYS A 122 4.746 13.303 0.309 1.00 0.00 C ATOM 1595 CG LYS A 122 4.522 14.638 -0.378 1.00 0.00 C ATOM 1596 CD LYS A 122 5.099 15.788 0.434 1.00 0.00 C ATOM 1597 CE LYS A 122 5.190 17.061 -0.392 1.00 0.00 C ATOM 1598 NZ LYS A 122 5.325 18.271 0.468 1.00 0.00 N ATOM 0 H LYS A 122 2.546 11.893 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 122 5.233 12.260 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.031 13.200 1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.741 13.295 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.983 14.622 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.454 14.797 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.475 15.965 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.090 15.517 0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.045 16.997 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.300 17.155 -1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.384 19.118 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.497 18.347 1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.188 18.193 1.043 1.00 0.00 H new ATOM 1612 N VAL A 123 6.078 10.174 -0.505 1.00 0.00 N ATOM 1613 CA VAL A 123 6.625 8.952 0.070 1.00 0.00 C ATOM 1614 C VAL A 123 8.148 8.948 0.005 1.00 0.00 C ATOM 1615 O VAL A 123 8.735 9.245 -1.034 1.00 0.00 O ATOM 1616 CB VAL A 123 6.088 7.702 -0.654 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.723 6.442 -0.086 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.572 7.637 -0.551 1.00 0.00 C ATOM 0 H VAL A 123 6.521 10.465 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 123 6.309 8.923 1.113 1.00 0.00 H new ATOM 0 HB VAL A 123 6.355 7.771 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.332 5.570 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.804 6.489 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.489 6.363 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.210 6.748 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.280 7.591 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.138 8.525 -1.010 1.00 0.00 H new ATOM 1628 N GLN A 124 8.782 8.608 1.123 1.00 0.00 N ATOM 1629 CA GLN A 124 10.237 8.566 1.194 1.00 0.00 C ATOM 1630 C GLN A 124 10.788 7.409 0.366 1.00 0.00 C ATOM 1631 O GLN A 124 11.243 6.404 0.912 1.00 0.00 O ATOM 1632 CB GLN A 124 10.695 8.432 2.647 1.00 0.00 C ATOM 1633 CG GLN A 124 10.527 9.707 3.458 1.00 0.00 C ATOM 1634 CD GLN A 124 11.559 9.838 4.561 1.00 0.00 C ATOM 1635 OE1 GLN A 124 11.251 9.653 5.739 1.00 0.00 O ATOM 1636 NE2 GLN A 124 12.790 10.159 4.184 1.00 0.00 N ATOM 0 H GLN A 124 8.310 8.358 1.992 1.00 0.00 H new ATOM 0 HA GLN A 124 10.623 9.499 0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 124 10.131 7.631 3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 124 11.744 8.137 2.663 1.00 0.00 H new ATOM 0 HG2 GLN A 124 10.600 10.568 2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 124 9.529 9.726 3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 124 13.000 10.303 3.196 1.00 0.00 H new ATOM 0 HE22 GLN A 124 13.527 10.262 4.882 1.00 0.00 H new ATOM 1645 N TRP A 125 10.747 7.560 -0.953 1.00 0.00 N ATOM 1646 CA TRP A 125 11.241 6.528 -1.856 1.00 0.00 C ATOM 1647 C TRP A 125 12.753 6.371 -1.728 1.00 0.00 C ATOM 1648 O TRP A 125 13.442 7.279 -1.263 1.00 0.00 O ATOM 1649 CB TRP A 125 10.872 6.865 -3.301 1.00 0.00 C ATOM 1650 CG TRP A 125 9.393 6.886 -3.546 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.596 7.989 -3.654 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.536 5.751 -3.713 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.294 7.608 -3.877 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.231 6.241 -3.918 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.744 4.369 -3.710 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.142 5.397 -4.117 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.661 3.532 -3.908 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.374 4.048 -4.110 1.00 0.00 C ATOM 0 H TRP A 125 10.377 8.387 -1.421 1.00 0.00 H new ATOM 0 HA TRP A 125 10.771 5.584 -1.580 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.290 7.839 -3.558 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.333 6.135 -3.966 1.00 0.00 H new ATOM 0 HD1 TRP A 125 8.938 9.010 -3.576 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.503 8.241 -3.993 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.732 3.962 -3.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.149 5.793 -4.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.810 2.462 -3.907 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.549 3.368 -4.263 1.00 0.00 H new ATOM 1669 N SER A 126 13.262 5.217 -2.144 1.00 0.00 N ATOM 1670 CA SER A 126 14.692 4.941 -2.072 1.00 0.00 C ATOM 1671 C SER A 126 15.419 5.521 -3.282 1.00 0.00 C ATOM 1672 O SER A 126 16.464 6.154 -3.148 1.00 0.00 O ATOM 1673 CB SER A 126 14.939 3.434 -1.988 1.00 0.00 C ATOM 1674 OG SER A 126 14.257 2.747 -3.022 1.00 0.00 O ATOM 0 H SER A 126 12.705 4.457 -2.535 1.00 0.00 H new ATOM 0 HA SER A 126 15.084 5.416 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 126 16.008 3.233 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 126 14.607 3.061 -1.019 1.00 0.00 H new ATOM 0 HG SER A 126 14.432 1.786 -2.947 1.00 0.00 H new ATOM 1680 N GLY A 127 14.853 5.299 -4.466 1.00 0.00 N ATOM 1681 CA GLY A 127 15.460 5.805 -5.683 1.00 0.00 C ATOM 1682 C GLY A 127 15.107 7.255 -5.948 1.00 0.00 C ATOM 1683 O GLY A 127 14.296 7.856 -5.244 1.00 0.00 O ATOM 0 H GLY A 127 13.986 4.779 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 127 16.543 5.705 -5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 127 15.137 5.196 -6.527 1.00 0.00 H new ATOM 1687 N PRO A 128 15.726 7.839 -6.984 1.00 0.00 N ATOM 1688 CA PRO A 128 15.489 9.235 -7.363 1.00 0.00 C ATOM 1689 C PRO A 128 14.097 9.449 -7.947 1.00 0.00 C ATOM 1690 O PRO A 128 13.752 8.874 -8.979 1.00 0.00 O ATOM 1691 CB PRO A 128 16.561 9.502 -8.423 1.00 0.00 C ATOM 1692 CG PRO A 128 16.870 8.163 -8.995 1.00 0.00 C ATOM 1693 CD PRO A 128 16.705 7.182 -7.867 1.00 0.00 C ATOM 0 HA PRO A 128 15.543 9.905 -6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 128 16.197 10.186 -9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 128 17.448 9.959 -7.983 1.00 0.00 H new ATOM 0 HG2 PRO A 128 16.197 7.926 -9.819 1.00 0.00 H new ATOM 0 HG3 PRO A 128 17.884 8.133 -9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 128 16.342 6.218 -8.223 1.00 0.00 H new ATOM 0 HD3 PRO A 128 17.649 6.997 -7.354 1.00 0.00 H new ATOM 1701 N SER A 129 13.301 10.281 -7.282 1.00 0.00 N ATOM 1702 CA SER A 129 11.946 10.568 -7.734 1.00 0.00 C ATOM 1703 C SER A 129 11.722 12.072 -7.859 1.00 0.00 C ATOM 1704 O SER A 129 12.064 12.838 -6.959 1.00 0.00 O ATOM 1705 CB SER A 129 10.925 9.966 -6.767 1.00 0.00 C ATOM 1706 OG SER A 129 10.867 8.557 -6.896 1.00 0.00 O ATOM 0 H SER A 129 13.572 10.768 -6.428 1.00 0.00 H new ATOM 0 HA SER A 129 11.814 10.116 -8.717 1.00 0.00 H new ATOM 0 HB2 SER A 129 11.190 10.230 -5.743 1.00 0.00 H new ATOM 0 HB3 SER A 129 9.941 10.392 -6.961 1.00 0.00 H new ATOM 0 HG SER A 129 10.208 8.198 -6.266 1.00 0.00 H new ATOM 1712 N SER A 130 11.144 12.487 -8.982 1.00 0.00 N ATOM 1713 CA SER A 130 10.878 13.899 -9.227 1.00 0.00 C ATOM 1714 C SER A 130 9.803 14.071 -10.297 1.00 0.00 C ATOM 1715 O SER A 130 9.860 13.448 -11.357 1.00 0.00 O ATOM 1716 CB SER A 130 12.160 14.615 -9.657 1.00 0.00 C ATOM 1717 OG SER A 130 12.685 14.050 -10.845 1.00 0.00 O ATOM 0 H SER A 130 10.851 11.865 -9.736 1.00 0.00 H new ATOM 0 HA SER A 130 10.517 14.342 -8.299 1.00 0.00 H new ATOM 0 HB2 SER A 130 11.954 15.674 -9.814 1.00 0.00 H new ATOM 0 HB3 SER A 130 12.902 14.550 -8.861 1.00 0.00 H new ATOM 0 HG SER A 130 11.965 13.609 -11.343 1.00 0.00 H new ATOM 1723 N GLY A 131 8.822 14.922 -10.011 1.00 0.00 N ATOM 1724 CA GLY A 131 7.748 15.161 -10.957 1.00 0.00 C ATOM 1725 C GLY A 131 7.998 16.381 -11.820 1.00 0.00 C ATOM 1726 O GLY A 131 9.062 16.518 -12.420 1.00 0.00 O ATOM 0 H GLY A 131 8.752 15.450 -9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 131 7.629 14.286 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 131 6.811 15.289 -10.414 1.00 0.00 H new TER 1730 GLY A 131