USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 638 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 33 SER OG : rot -74:sc= -0.113 USER MOD Set 1.2: A 44 GLN : amide:sc= -0.819 X(o=-0.93,f=-0.6) USER MOD Set 2.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 29 THR OG1 : rot 107:sc= -0.187! USER MOD Set 3.1: A 12 ASN :FLIP amide:sc= -0.396 F(o=0.32,f=0.95) USER MOD Set 3.2: A 13 THR OG1 : rot 137:sc= 1.35 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0605 (180deg=0) USER MOD Single : A 2 SER OG : rot 95:sc= 1.2 USER MOD Single : A 6 SER OG : rot 70:sc= -1.12 USER MOD Single : A 7 LYS NZ :NH3+ -139:sc= 1.27 (180deg=0.502) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0036 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 1.8 (180deg=1.77) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00571 USER MOD Single : A 22 ASN : amide:sc= -0.642 K(o=-0.64,f=-1.8) USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= 1.25 (180deg=0.95) USER MOD Single : A 24 LYS NZ :NH3+ -174:sc=-0.000862 (180deg=-0.0522) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 28 SER OG : rot -47:sc= 0.26 USER MOD Single : A 37 HIS : no HD1:sc= -0.0677 X(o=-0.068,f=0) USER MOD Single : A 38 THR OG1 : rot 167:sc= -0.573 USER MOD Single : A 48 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.018) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.49 X(o=-2.5,f=-2.6) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc=-0.00568 K(o=-0.0057,f=-3.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 138:sc= 1.32 USER MOD Single : A 83 ASN : amide:sc= -2.69! C(o=-2.7!,f=-6.3!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.334 -11.283 -10.675 1.00 5.75 N ATOM 2 CA GLY A 1 4.899 -11.399 -9.309 1.00 5.18 C ATOM 3 C GLY A 1 3.914 -10.953 -8.253 1.00 4.19 C ATOM 4 O GLY A 1 2.712 -10.891 -8.511 1.00 4.26 O ATOM 0 H1 GLY A 1 4.446 -12.188 -11.175 1.00 5.75 H new ATOM 0 H2 GLY A 1 3.324 -11.044 -10.614 1.00 5.75 H new ATOM 0 H3 GLY A 1 4.836 -10.535 -11.196 1.00 5.75 H new ATOM 0 HA2 GLY A 1 5.188 -12.433 -9.122 1.00 5.18 H new ATOM 0 HA3 GLY A 1 5.805 -10.797 -9.238 1.00 5.18 H new ATOM 10 N SER A 2 4.419 -10.637 -7.072 1.00 3.74 N ATOM 11 CA SER A 2 3.581 -10.176 -5.977 1.00 3.26 C ATOM 12 C SER A 2 3.466 -8.656 -5.993 1.00 2.09 C ATOM 13 O SER A 2 2.655 -8.074 -5.274 1.00 2.28 O ATOM 14 CB SER A 2 4.173 -10.648 -4.647 1.00 4.10 C ATOM 15 OG SER A 2 5.562 -10.357 -4.578 1.00 4.66 O ATOM 0 H SER A 2 5.412 -10.692 -6.846 1.00 3.74 H new ATOM 0 HA SER A 2 2.582 -10.594 -6.096 1.00 3.26 H new ATOM 0 HB2 SER A 2 3.654 -10.162 -3.821 1.00 4.10 H new ATOM 0 HB3 SER A 2 4.016 -11.721 -4.535 1.00 4.10 H new ATOM 0 HG SER A 2 5.695 -9.501 -4.119 1.00 4.66 H new ATOM 21 N GLY A 3 4.282 -8.024 -6.826 1.00 1.60 N ATOM 22 CA GLY A 3 4.332 -6.577 -6.880 1.00 1.30 C ATOM 23 C GLY A 3 5.569 -6.063 -6.185 1.00 1.09 C ATOM 24 O GLY A 3 6.536 -5.653 -6.829 1.00 1.32 O ATOM 0 H GLY A 3 4.916 -8.494 -7.472 1.00 1.60 H new ATOM 0 HA2 GLY A 3 4.327 -6.246 -7.918 1.00 1.30 H new ATOM 0 HA3 GLY A 3 3.443 -6.159 -6.408 1.00 1.30 H new ATOM 28 N TRP A 4 5.543 -6.102 -4.866 1.00 0.81 N ATOM 29 CA TRP A 4 6.717 -5.797 -4.069 1.00 0.60 C ATOM 30 C TRP A 4 7.213 -7.057 -3.388 1.00 0.62 C ATOM 31 O TRP A 4 6.527 -8.082 -3.393 1.00 0.74 O ATOM 32 CB TRP A 4 6.402 -4.726 -3.028 1.00 0.45 C ATOM 33 CG TRP A 4 6.361 -3.348 -3.596 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.264 -2.671 -4.037 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.477 -2.478 -3.787 1.00 0.36 C ATOM 36 NE1 TRP A 4 5.630 -1.422 -4.474 1.00 0.40 N ATOM 37 CE2 TRP A 4 6.984 -1.284 -4.337 1.00 0.37 C ATOM 38 CE3 TRP A 4 8.846 -2.594 -3.542 1.00 0.43 C ATOM 39 CZ2 TRP A 4 7.811 -0.213 -4.645 1.00 0.45 C ATOM 40 CZ3 TRP A 4 9.668 -1.528 -3.851 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.148 -0.352 -4.396 1.00 0.52 C ATOM 0 H TRP A 4 4.716 -6.344 -4.321 1.00 0.81 H new ATOM 0 HA TRP A 4 7.496 -5.412 -4.728 1.00 0.60 H new ATOM 0 HB2 TRP A 4 5.441 -4.950 -2.565 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.152 -4.764 -2.238 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.256 -3.059 -4.042 1.00 0.42 H new ATOM 0 HE1 TRP A 4 4.996 -0.713 -4.841 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.255 -3.500 -3.119 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.412 0.698 -5.066 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 10.730 -1.605 -3.668 1.00 0.52 H new ATOM 0 HH2 TRP A 4 9.816 0.465 -4.626 1.00 0.52 H new ATOM 52 N GLU A 5 8.404 -6.988 -2.814 1.00 0.66 N ATOM 53 CA GLU A 5 8.981 -8.143 -2.157 1.00 0.73 C ATOM 54 C GLU A 5 8.337 -8.368 -0.797 1.00 0.67 C ATOM 55 O GLU A 5 8.576 -7.617 0.148 1.00 0.78 O ATOM 56 CB GLU A 5 10.492 -7.978 -1.986 1.00 0.96 C ATOM 57 CG GLU A 5 11.257 -7.874 -3.294 1.00 1.49 C ATOM 58 CD GLU A 5 12.746 -8.079 -3.103 1.00 2.14 C ATOM 59 OE1 GLU A 5 13.276 -7.690 -2.043 1.00 2.65 O ATOM 60 OE2 GLU A 5 13.394 -8.643 -4.010 1.00 2.73 O ATOM 0 H GLU A 5 8.984 -6.149 -2.791 1.00 0.66 H new ATOM 0 HA GLU A 5 8.791 -9.010 -2.789 1.00 0.73 H new ATOM 0 HB2 GLU A 5 10.684 -7.084 -1.393 1.00 0.96 H new ATOM 0 HB3 GLU A 5 10.877 -8.825 -1.419 1.00 0.96 H new ATOM 0 HG2 GLU A 5 10.877 -8.616 -3.996 1.00 1.49 H new ATOM 0 HG3 GLU A 5 11.081 -6.895 -3.739 1.00 1.49 H new ATOM 67 N SER A 6 7.532 -9.412 -0.705 1.00 0.74 N ATOM 68 CA SER A 6 6.937 -9.806 0.559 1.00 0.87 C ATOM 69 C SER A 6 7.796 -10.879 1.214 1.00 0.88 C ATOM 70 O SER A 6 7.382 -11.525 2.174 1.00 0.90 O ATOM 71 CB SER A 6 5.516 -10.329 0.343 1.00 1.16 C ATOM 72 OG SER A 6 4.712 -9.373 -0.329 1.00 1.75 O ATOM 0 H SER A 6 7.275 -10.004 -1.495 1.00 0.74 H new ATOM 0 HA SER A 6 6.886 -8.935 1.213 1.00 0.87 H new ATOM 0 HB2 SER A 6 5.550 -11.251 -0.237 1.00 1.16 H new ATOM 0 HB3 SER A 6 5.066 -10.574 1.305 1.00 1.16 H new ATOM 0 HG SER A 6 5.013 -9.288 -1.258 1.00 1.75 H new ATOM 78 N LYS A 7 9.010 -11.042 0.687 1.00 0.95 N ATOM 79 CA LYS A 7 9.959 -12.038 1.181 1.00 1.09 C ATOM 80 C LYS A 7 10.302 -11.797 2.647 1.00 1.03 C ATOM 81 O LYS A 7 10.778 -12.694 3.340 1.00 1.09 O ATOM 82 CB LYS A 7 11.227 -12.027 0.312 1.00 1.37 C ATOM 83 CG LYS A 7 11.928 -10.677 0.242 1.00 1.65 C ATOM 84 CD LYS A 7 12.914 -10.493 1.381 1.00 2.11 C ATOM 85 CE LYS A 7 13.574 -9.120 1.345 1.00 2.79 C ATOM 86 NZ LYS A 7 14.398 -8.923 0.120 1.00 3.24 N ATOM 0 H LYS A 7 9.362 -10.488 -0.093 1.00 0.95 H new ATOM 0 HA LYS A 7 9.494 -13.021 1.113 1.00 1.09 H new ATOM 0 HB2 LYS A 7 11.927 -12.767 0.702 1.00 1.37 H new ATOM 0 HB3 LYS A 7 10.963 -12.339 -0.699 1.00 1.37 H new ATOM 0 HG2 LYS A 7 12.452 -10.589 -0.710 1.00 1.65 H new ATOM 0 HG3 LYS A 7 11.185 -9.880 0.272 1.00 1.65 H new ATOM 0 HD2 LYS A 7 12.398 -10.623 2.332 1.00 2.11 H new ATOM 0 HD3 LYS A 7 13.681 -11.266 1.326 1.00 2.11 H new ATOM 0 HE2 LYS A 7 12.806 -8.348 1.392 1.00 2.79 H new ATOM 0 HE3 LYS A 7 14.203 -8.998 2.227 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 15.282 -8.435 0.371 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 14.620 -9.848 -0.301 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 13.868 -8.348 -0.566 1.00 3.24 H new ATOM 100 N THR A 8 10.057 -10.579 3.107 1.00 1.01 N ATOM 101 CA THR A 8 10.316 -10.214 4.484 1.00 1.08 C ATOM 102 C THR A 8 9.258 -10.814 5.417 1.00 0.93 C ATOM 103 O THR A 8 9.455 -10.894 6.630 1.00 1.03 O ATOM 104 CB THR A 8 10.325 -8.683 4.635 1.00 1.25 C ATOM 105 OG1 THR A 8 10.964 -8.094 3.494 1.00 2.05 O ATOM 106 CG2 THR A 8 11.055 -8.258 5.901 1.00 1.66 C ATOM 0 H THR A 8 9.676 -9.823 2.538 1.00 1.01 H new ATOM 0 HA THR A 8 11.292 -10.612 4.760 1.00 1.08 H new ATOM 0 HB THR A 8 9.293 -8.340 4.704 1.00 1.25 H new ATOM 0 HG1 THR A 8 10.968 -7.119 3.589 1.00 2.05 H new ATOM 0 HG21 THR A 8 11.044 -7.171 5.980 1.00 1.66 H new ATOM 0 HG22 THR A 8 10.558 -8.689 6.770 1.00 1.66 H new ATOM 0 HG23 THR A 8 12.086 -8.609 5.862 1.00 1.66 H new ATOM 114 N GLY A 9 8.142 -11.246 4.835 1.00 0.79 N ATOM 115 CA GLY A 9 7.043 -11.771 5.625 1.00 0.79 C ATOM 116 C GLY A 9 6.163 -10.663 6.161 1.00 0.69 C ATOM 117 O GLY A 9 5.367 -10.873 7.078 1.00 0.88 O ATOM 0 H GLY A 9 7.980 -11.241 3.828 1.00 0.79 H new ATOM 0 HA2 GLY A 9 6.446 -12.447 5.014 1.00 0.79 H new ATOM 0 HA3 GLY A 9 7.438 -12.356 6.455 1.00 0.79 H new ATOM 121 N SER A 10 6.310 -9.480 5.579 1.00 0.61 N ATOM 122 CA SER A 10 5.640 -8.286 6.065 1.00 0.73 C ATOM 123 C SER A 10 4.242 -8.115 5.474 1.00 0.64 C ATOM 124 O SER A 10 3.353 -7.547 6.111 1.00 0.73 O ATOM 125 CB SER A 10 6.503 -7.071 5.735 1.00 0.96 C ATOM 126 OG SER A 10 7.010 -7.159 4.411 1.00 1.72 O ATOM 0 H SER A 10 6.896 -9.324 4.759 1.00 0.61 H new ATOM 0 HA SER A 10 5.512 -8.385 7.143 1.00 0.73 H new ATOM 0 HB2 SER A 10 5.914 -6.160 5.844 1.00 0.96 H new ATOM 0 HB3 SER A 10 7.330 -7.003 6.442 1.00 0.96 H new ATOM 0 HG SER A 10 7.559 -6.371 4.218 1.00 1.72 H new ATOM 132 N CYS A 11 4.045 -8.606 4.267 1.00 0.52 N ATOM 133 CA CYS A 11 2.782 -8.397 3.573 1.00 0.44 C ATOM 134 C CYS A 11 2.218 -9.704 3.049 1.00 0.41 C ATOM 135 O CYS A 11 2.946 -10.577 2.574 1.00 0.43 O ATOM 136 CB CYS A 11 2.994 -7.415 2.422 1.00 0.41 C ATOM 137 SG CYS A 11 1.456 -6.778 1.682 1.00 1.19 S ATOM 0 H CYS A 11 4.734 -9.149 3.747 1.00 0.52 H new ATOM 0 HA CYS A 11 2.062 -7.985 4.280 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.585 -6.573 2.783 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.580 -7.906 1.645 1.00 0.41 H new ATOM 142 N ASN A 12 0.906 -9.815 3.152 1.00 0.46 N ATOM 143 CA ASN A 12 0.180 -10.991 2.705 1.00 0.53 C ATOM 144 C ASN A 12 -0.302 -10.843 1.265 1.00 0.47 C ATOM 145 O ASN A 12 -0.419 -11.827 0.542 1.00 0.57 O ATOM 146 CB ASN A 12 -1.009 -11.253 3.636 1.00 0.69 C ATOM 147 CG ASN A 12 -1.689 -9.973 4.092 1.00 0.90 C ATOM 148 OD1 ASN A 12 -2.528 -9.416 3.246 1.00 1.66 O flip ATOM 149 ND2 ASN A 12 -1.424 -9.468 5.183 1.00 1.03 N flip ATOM 0 H ASN A 12 0.311 -9.089 3.550 1.00 0.46 H new ATOM 0 HA ASN A 12 0.863 -11.840 2.738 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -1.736 -11.883 3.122 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -0.666 -11.809 4.509 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -0.768 -9.930 5.813 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -1.861 -8.588 5.457 1.00 1.03 H new ATOM 156 N THR A 13 -0.584 -9.612 0.855 1.00 0.38 N ATOM 157 CA THR A 13 -1.136 -9.357 -0.471 1.00 0.37 C ATOM 158 C THR A 13 -0.048 -9.040 -1.494 1.00 0.35 C ATOM 159 O THR A 13 -0.193 -9.334 -2.681 1.00 0.44 O ATOM 160 CB THR A 13 -2.145 -8.199 -0.418 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.764 -7.283 0.618 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.556 -8.713 -0.165 1.00 0.52 C ATOM 0 H THR A 13 -0.440 -8.775 1.420 1.00 0.38 H new ATOM 0 HA THR A 13 -1.640 -10.270 -0.788 1.00 0.37 H new ATOM 0 HB THR A 13 -2.140 -7.689 -1.381 1.00 0.41 H new ATOM 0 HG1 THR A 13 -1.859 -6.363 0.293 1.00 0.43 H new ATOM 0 HG21 THR A 13 -4.249 -7.872 -0.132 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.846 -9.391 -0.968 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.585 -9.244 0.786 1.00 0.52 H new ATOM 170 N GLY A 14 1.039 -8.437 -1.031 1.00 0.29 N ATOM 171 CA GLY A 14 2.138 -8.118 -1.918 1.00 0.31 C ATOM 172 C GLY A 14 2.156 -6.658 -2.322 1.00 0.30 C ATOM 173 O GLY A 14 3.124 -6.185 -2.919 1.00 0.43 O ATOM 0 H GLY A 14 1.178 -8.164 -0.058 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.079 -8.367 -1.428 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.070 -8.738 -2.812 1.00 0.31 H new ATOM 177 N LYS A 15 1.094 -5.932 -1.990 1.00 0.24 N ATOM 178 CA LYS A 15 1.015 -4.525 -2.339 1.00 0.25 C ATOM 179 C LYS A 15 1.618 -3.672 -1.235 1.00 0.24 C ATOM 180 O LYS A 15 0.921 -3.237 -0.319 1.00 0.25 O ATOM 181 CB LYS A 15 -0.436 -4.100 -2.591 1.00 0.31 C ATOM 182 CG LYS A 15 -1.095 -4.797 -3.773 1.00 0.41 C ATOM 183 CD LYS A 15 -2.423 -4.144 -4.127 1.00 0.57 C ATOM 184 CE LYS A 15 -3.057 -4.793 -5.342 1.00 0.69 C ATOM 185 NZ LYS A 15 -4.260 -4.059 -5.817 1.00 1.64 N ATOM 0 H LYS A 15 0.285 -6.293 -1.485 1.00 0.24 H new ATOM 0 HA LYS A 15 1.582 -4.375 -3.258 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -1.022 -4.299 -1.694 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.464 -3.023 -2.757 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.429 -4.764 -4.635 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -1.256 -5.848 -3.535 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -3.103 -4.217 -3.278 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.267 -3.083 -4.320 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -2.324 -4.843 -6.147 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -3.334 -5.819 -5.099 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -4.636 -4.523 -6.668 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -4.985 -4.062 -5.072 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -4.001 -3.078 -6.043 1.00 1.64 H new ATOM 199 N LEU A 16 2.916 -3.449 -1.317 1.00 0.26 N ATOM 200 CA LEU A 16 3.597 -2.574 -0.385 1.00 0.30 C ATOM 201 C LEU A 16 3.598 -1.158 -0.933 1.00 0.33 C ATOM 202 O LEU A 16 3.799 -0.950 -2.126 1.00 0.55 O ATOM 203 CB LEU A 16 5.033 -3.048 -0.134 1.00 0.35 C ATOM 204 CG LEU A 16 5.176 -4.276 0.769 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.574 -5.501 0.117 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.637 -4.526 1.114 1.00 0.43 C ATOM 0 H LEU A 16 3.522 -3.865 -2.024 1.00 0.26 H new ATOM 0 HA LEU A 16 3.068 -2.596 0.568 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.496 -3.270 -1.095 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.596 -2.226 0.309 1.00 0.35 H new ATOM 0 HG LEU A 16 4.631 -4.076 1.692 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.689 -6.359 0.779 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.515 -5.329 -0.073 1.00 0.29 H new ATOM 0 HD13 LEU A 16 5.084 -5.699 -0.826 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.714 -5.403 1.756 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.203 -4.696 0.198 1.00 0.43 H new ATOM 0 HD23 LEU A 16 7.041 -3.658 1.635 1.00 0.43 H new ATOM 218 N ALA A 17 3.354 -0.191 -0.078 1.00 0.27 N ATOM 219 CA ALA A 17 3.302 1.191 -0.510 1.00 0.27 C ATOM 220 C ALA A 17 3.875 2.106 0.552 1.00 0.24 C ATOM 221 O ALA A 17 3.965 1.737 1.720 1.00 0.28 O ATOM 222 CB ALA A 17 1.872 1.594 -0.842 1.00 0.29 C ATOM 0 H ALA A 17 3.189 -0.333 0.918 1.00 0.27 H new ATOM 0 HA ALA A 17 3.908 1.289 -1.411 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.853 2.635 -1.164 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.492 0.959 -1.642 1.00 0.29 H new ATOM 0 HB3 ALA A 17 1.246 1.477 0.043 1.00 0.29 H new ATOM 228 N CYS A 18 4.322 3.270 0.127 1.00 0.26 N ATOM 229 CA CYS A 18 4.717 4.311 1.055 1.00 0.26 C ATOM 230 C CYS A 18 3.514 5.195 1.336 1.00 0.24 C ATOM 231 O CYS A 18 3.148 6.037 0.514 1.00 0.32 O ATOM 232 CB CYS A 18 5.859 5.137 0.474 1.00 0.36 C ATOM 233 SG CYS A 18 7.277 4.138 -0.071 1.00 0.74 S ATOM 0 H CYS A 18 4.421 3.520 -0.857 1.00 0.26 H new ATOM 0 HA CYS A 18 5.067 3.861 1.984 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.485 5.714 -0.372 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.196 5.853 1.224 1.00 0.36 H new ATOM 238 N CYS A 19 2.893 4.992 2.483 1.00 0.21 N ATOM 239 CA CYS A 19 1.636 5.650 2.779 1.00 0.21 C ATOM 240 C CYS A 19 1.738 6.494 4.035 1.00 0.23 C ATOM 241 O CYS A 19 2.404 6.121 5.003 1.00 0.30 O ATOM 242 CB CYS A 19 0.513 4.624 2.915 1.00 0.23 C ATOM 243 SG CYS A 19 0.208 3.644 1.405 1.00 0.50 S ATOM 0 H CYS A 19 3.238 4.379 3.222 1.00 0.21 H new ATOM 0 HA CYS A 19 1.404 6.315 1.947 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.754 3.945 3.733 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.406 5.142 3.190 1.00 0.23 H new ATOM 248 N ASP A 20 1.073 7.638 4.006 1.00 0.23 N ATOM 249 CA ASP A 20 1.056 8.542 5.136 1.00 0.28 C ATOM 250 C ASP A 20 -0.158 8.253 5.986 1.00 0.28 C ATOM 251 O ASP A 20 -1.282 8.550 5.596 1.00 0.34 O ATOM 252 CB ASP A 20 1.028 9.999 4.675 1.00 0.37 C ATOM 253 CG ASP A 20 2.337 10.448 4.054 1.00 1.01 C ATOM 254 OD1 ASP A 20 2.304 11.081 2.976 1.00 1.65 O ATOM 255 OD2 ASP A 20 3.402 10.174 4.641 1.00 1.33 O ATOM 0 H ASP A 20 0.534 7.961 3.202 1.00 0.23 H new ATOM 0 HA ASP A 20 1.965 8.388 5.718 1.00 0.28 H new ATOM 0 HB2 ASP A 20 0.224 10.130 3.950 1.00 0.37 H new ATOM 0 HB3 ASP A 20 0.797 10.640 5.526 1.00 0.37 H new ATOM 260 N THR A 21 0.076 7.674 7.143 1.00 0.31 N ATOM 261 CA THR A 21 -0.999 7.269 8.034 1.00 0.36 C ATOM 262 C THR A 21 -1.630 8.477 8.725 1.00 0.42 C ATOM 263 O THR A 21 -2.649 8.362 9.408 1.00 0.52 O ATOM 264 CB THR A 21 -0.478 6.275 9.083 1.00 0.41 C ATOM 265 OG1 THR A 21 0.692 6.809 9.718 1.00 0.41 O ATOM 266 CG2 THR A 21 -0.141 4.937 8.440 1.00 0.43 C ATOM 0 H THR A 21 1.011 7.470 7.495 1.00 0.31 H new ATOM 0 HA THR A 21 -1.766 6.782 7.432 1.00 0.36 H new ATOM 0 HB THR A 21 -1.260 6.118 9.826 1.00 0.41 H new ATOM 0 HG1 THR A 21 1.020 6.173 10.387 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.226 4.249 9.202 1.00 0.43 H new ATOM 0 HG22 THR A 21 -1.035 4.521 7.976 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.628 5.081 7.681 1.00 0.43 H new ATOM 274 N ASN A 22 -1.020 9.637 8.520 1.00 0.43 N ATOM 275 CA ASN A 22 -1.515 10.882 9.082 1.00 0.56 C ATOM 276 C ASN A 22 -2.444 11.536 8.079 1.00 0.50 C ATOM 277 O ASN A 22 -3.279 12.376 8.418 1.00 0.63 O ATOM 278 CB ASN A 22 -0.341 11.809 9.401 1.00 0.70 C ATOM 279 CG ASN A 22 0.335 12.356 8.155 1.00 1.35 C ATOM 280 OD1 ASN A 22 1.167 11.686 7.544 1.00 1.87 O ATOM 281 ND2 ASN A 22 0.003 13.581 7.787 1.00 2.20 N ATOM 0 H ASN A 22 -0.172 9.739 7.962 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.059 10.683 10.005 1.00 0.56 H new ATOM 0 HB2 ASN A 22 -0.696 12.640 10.010 1.00 0.70 H new ATOM 0 HB3 ASN A 22 0.392 11.266 9.998 1.00 0.70 H new ATOM 0 HD21 ASN A 22 0.441 14.004 6.969 1.00 2.20 H new ATOM 0 HD22 ASN A 22 -0.692 14.103 8.321 1.00 2.20 H new ATOM 288 N LYS A 23 -2.282 11.126 6.836 1.00 0.40 N ATOM 289 CA LYS A 23 -3.093 11.620 5.747 1.00 0.39 C ATOM 290 C LYS A 23 -4.117 10.591 5.338 1.00 0.32 C ATOM 291 O LYS A 23 -3.820 9.409 5.182 1.00 0.39 O ATOM 292 CB LYS A 23 -2.231 11.994 4.550 1.00 0.47 C ATOM 293 CG LYS A 23 -1.749 13.433 4.560 1.00 0.95 C ATOM 294 CD LYS A 23 -1.337 13.883 3.170 1.00 1.53 C ATOM 295 CE LYS A 23 -0.193 13.038 2.651 1.00 1.84 C ATOM 296 NZ LYS A 23 1.120 13.444 3.221 1.00 2.60 N ATOM 0 H LYS A 23 -1.582 10.439 6.555 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.609 12.514 6.096 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.365 11.332 4.518 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.800 11.819 3.637 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -2.540 14.082 4.936 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -0.905 13.532 5.242 1.00 0.95 H new ATOM 0 HD2 LYS A 23 -2.187 13.809 2.492 1.00 1.53 H new ATOM 0 HD3 LYS A 23 -1.039 14.931 3.195 1.00 1.53 H new ATOM 0 HE2 LYS A 23 -0.381 11.991 2.890 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -0.153 13.114 1.564 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 1.833 12.720 3.000 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 1.411 14.354 2.809 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 1.035 13.542 4.253 1.00 2.60 H new ATOM 310 N LYS A 24 -5.317 11.060 5.145 1.00 0.49 N ATOM 311 CA LYS A 24 -6.436 10.194 4.845 1.00 0.49 C ATOM 312 C LYS A 24 -7.031 10.560 3.495 1.00 0.45 C ATOM 313 O LYS A 24 -6.868 11.687 3.025 1.00 0.48 O ATOM 314 CB LYS A 24 -7.501 10.322 5.931 1.00 0.61 C ATOM 315 CG LYS A 24 -7.009 10.043 7.345 1.00 0.91 C ATOM 316 CD LYS A 24 -6.485 8.624 7.500 1.00 1.32 C ATOM 317 CE LYS A 24 -7.539 7.580 7.145 1.00 1.88 C ATOM 318 NZ LYS A 24 -8.744 7.676 8.013 1.00 2.17 N ATOM 0 H LYS A 24 -5.553 12.051 5.190 1.00 0.49 H new ATOM 0 HA LYS A 24 -6.084 9.163 4.811 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -7.914 11.330 5.898 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -8.316 9.635 5.703 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -6.219 10.750 7.600 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -7.823 10.207 8.051 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -5.612 8.489 6.861 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -6.155 8.470 8.527 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -7.834 7.704 6.103 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -7.106 6.584 7.237 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -9.387 6.886 7.803 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -8.457 7.633 9.012 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -9.232 8.576 7.831 1.00 2.17 H new ATOM 332 N VAL A 25 -7.710 9.612 2.871 1.00 0.46 N ATOM 333 CA VAL A 25 -8.335 9.849 1.580 1.00 0.50 C ATOM 334 C VAL A 25 -9.852 9.799 1.710 1.00 0.56 C ATOM 335 O VAL A 25 -10.393 9.082 2.552 1.00 0.57 O ATOM 336 CB VAL A 25 -7.879 8.821 0.523 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.381 9.200 -0.863 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.366 8.686 0.522 1.00 0.44 C ATOM 0 H VAL A 25 -7.843 8.670 3.238 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.024 10.840 1.248 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.312 7.856 0.787 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.045 8.458 -1.587 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.470 9.235 -0.858 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -7.988 10.179 -1.137 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.066 7.956 -0.230 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -5.915 9.651 0.292 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.030 8.353 1.504 1.00 0.44 H new ATOM 348 N GLN A 26 -10.520 10.554 0.856 1.00 0.66 N ATOM 349 CA GLN A 26 -11.973 10.677 0.858 1.00 0.78 C ATOM 350 C GLN A 26 -12.648 9.466 0.208 1.00 0.75 C ATOM 351 O GLN A 26 -13.726 9.586 -0.376 1.00 0.87 O ATOM 352 CB GLN A 26 -12.353 11.944 0.095 1.00 0.97 C ATOM 353 CG GLN A 26 -11.843 11.955 -1.339 1.00 1.71 C ATOM 354 CD GLN A 26 -12.070 13.277 -2.040 1.00 2.23 C ATOM 355 OE1 GLN A 26 -13.026 13.996 -1.751 1.00 2.62 O ATOM 356 NE2 GLN A 26 -11.191 13.604 -2.973 1.00 2.83 N ATOM 0 H GLN A 26 -10.065 11.108 0.130 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.316 10.728 1.892 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -13.438 12.045 0.089 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -11.955 12.811 0.622 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -10.777 11.728 -1.341 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -12.338 11.163 -1.901 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -10.412 12.979 -3.182 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -11.292 14.481 -3.484 1.00 2.83 H new ATOM 365 N LYS A 27 -12.019 8.305 0.308 1.00 0.96 N ATOM 366 CA LYS A 27 -12.491 7.122 -0.394 1.00 1.06 C ATOM 367 C LYS A 27 -12.517 5.907 0.526 1.00 0.94 C ATOM 368 O LYS A 27 -11.861 5.890 1.566 1.00 1.56 O ATOM 369 CB LYS A 27 -11.590 6.844 -1.602 1.00 1.81 C ATOM 370 CG LYS A 27 -11.608 7.953 -2.648 1.00 2.36 C ATOM 371 CD LYS A 27 -12.914 8.001 -3.421 1.00 2.79 C ATOM 372 CE LYS A 27 -13.091 6.752 -4.249 1.00 3.33 C ATOM 373 NZ LYS A 27 -14.398 6.715 -4.951 1.00 4.07 N ATOM 0 H LYS A 27 -11.180 8.157 0.869 1.00 0.96 H new ATOM 0 HA LYS A 27 -13.510 7.310 -0.733 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -10.567 6.700 -1.255 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -11.902 5.910 -2.070 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -11.444 8.913 -2.158 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -10.782 7.805 -3.344 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -13.749 8.105 -2.728 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -12.927 8.877 -4.069 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -12.287 6.689 -4.982 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -13.004 5.877 -3.604 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -14.470 5.838 -5.505 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -15.168 6.747 -4.253 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -14.473 7.534 -5.588 1.00 4.07 H new ATOM 387 N SER A 28 -13.291 4.906 0.138 1.00 0.83 N ATOM 388 CA SER A 28 -13.365 3.649 0.869 1.00 1.35 C ATOM 389 C SER A 28 -13.626 2.515 -0.120 1.00 1.17 C ATOM 390 O SER A 28 -14.142 1.451 0.229 1.00 1.46 O ATOM 391 CB SER A 28 -14.475 3.720 1.924 1.00 2.09 C ATOM 392 OG SER A 28 -14.422 2.619 2.818 1.00 2.46 O ATOM 0 H SER A 28 -13.885 4.941 -0.691 1.00 0.83 H new ATOM 0 HA SER A 28 -12.423 3.462 1.384 1.00 1.35 H new ATOM 0 HB2 SER A 28 -14.384 4.650 2.486 1.00 2.09 H new ATOM 0 HB3 SER A 28 -15.446 3.741 1.429 1.00 2.09 H new ATOM 0 HG SER A 28 -14.325 1.788 2.308 1.00 2.46 H new ATOM 398 N THR A 29 -13.254 2.765 -1.366 1.00 1.02 N ATOM 399 CA THR A 29 -13.499 1.831 -2.449 1.00 1.07 C ATOM 400 C THR A 29 -12.238 1.060 -2.823 1.00 1.17 C ATOM 401 O THR A 29 -11.130 1.593 -2.762 1.00 2.00 O ATOM 402 CB THR A 29 -14.012 2.580 -3.690 1.00 1.24 C ATOM 403 OG1 THR A 29 -13.209 3.747 -3.915 1.00 1.64 O ATOM 404 CG2 THR A 29 -15.468 2.987 -3.521 1.00 1.64 C ATOM 0 H THR A 29 -12.775 3.619 -1.652 1.00 1.02 H new ATOM 0 HA THR A 29 -14.250 1.122 -2.102 1.00 1.07 H new ATOM 0 HB THR A 29 -13.940 1.911 -4.547 1.00 1.24 H new ATOM 0 HG1 THR A 29 -12.634 3.603 -4.695 1.00 1.64 H new ATOM 0 HG21 THR A 29 -15.804 3.515 -4.413 1.00 1.64 H new ATOM 0 HG22 THR A 29 -16.080 2.097 -3.374 1.00 1.64 H new ATOM 0 HG23 THR A 29 -15.565 3.641 -2.655 1.00 1.64 H new ATOM 412 N GLY A 30 -12.417 -0.195 -3.201 1.00 0.96 N ATOM 413 CA GLY A 30 -11.315 -0.996 -3.687 1.00 1.02 C ATOM 414 C GLY A 30 -11.555 -1.438 -5.112 1.00 1.05 C ATOM 415 O GLY A 30 -12.701 -1.505 -5.557 1.00 1.39 O ATOM 0 H GLY A 30 -13.316 -0.677 -3.179 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -10.391 -0.421 -3.631 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -11.186 -1.870 -3.048 1.00 1.02 H new ATOM 419 N GLU A 31 -10.487 -1.731 -5.838 1.00 1.00 N ATOM 420 CA GLU A 31 -10.604 -2.119 -7.236 1.00 1.18 C ATOM 421 C GLU A 31 -10.490 -3.631 -7.399 1.00 0.94 C ATOM 422 O GLU A 31 -11.327 -4.260 -8.045 1.00 1.04 O ATOM 423 CB GLU A 31 -9.546 -1.418 -8.086 1.00 1.63 C ATOM 424 CG GLU A 31 -9.642 0.100 -8.050 1.00 2.14 C ATOM 425 CD GLU A 31 -8.841 0.762 -9.151 1.00 2.60 C ATOM 426 OE1 GLU A 31 -7.676 1.140 -8.896 1.00 2.90 O ATOM 427 OE2 GLU A 31 -9.362 0.911 -10.275 1.00 3.06 O ATOM 0 H GLU A 31 -9.531 -1.708 -5.483 1.00 1.00 H new ATOM 0 HA GLU A 31 -11.590 -1.810 -7.582 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -8.557 -1.719 -7.741 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -9.640 -1.755 -9.118 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -10.687 0.396 -8.138 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -9.289 0.460 -7.083 1.00 2.14 H new ATOM 434 N GLU A 32 -9.456 -4.213 -6.807 1.00 0.85 N ATOM 435 CA GLU A 32 -9.239 -5.647 -6.895 1.00 1.01 C ATOM 436 C GLU A 32 -9.814 -6.347 -5.675 1.00 1.08 C ATOM 437 O GLU A 32 -10.307 -7.473 -5.765 1.00 1.36 O ATOM 438 CB GLU A 32 -7.750 -5.961 -7.034 1.00 1.26 C ATOM 439 CG GLU A 32 -7.154 -5.479 -8.344 1.00 1.66 C ATOM 440 CD GLU A 32 -5.682 -5.794 -8.461 1.00 1.90 C ATOM 441 OE1 GLU A 32 -5.344 -6.950 -8.786 1.00 2.09 O ATOM 442 OE2 GLU A 32 -4.856 -4.889 -8.244 1.00 2.44 O ATOM 0 H GLU A 32 -8.755 -3.712 -6.261 1.00 0.85 H new ATOM 0 HA GLU A 32 -9.752 -6.016 -7.783 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -7.210 -5.501 -6.206 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -7.604 -7.038 -6.951 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -7.688 -5.941 -9.174 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -7.300 -4.402 -8.431 1.00 1.66 H new ATOM 449 N SER A 33 -9.769 -5.663 -4.536 1.00 1.06 N ATOM 450 CA SER A 33 -10.338 -6.189 -3.300 1.00 1.37 C ATOM 451 C SER A 33 -11.833 -6.462 -3.459 1.00 1.43 C ATOM 452 O SER A 33 -12.389 -7.322 -2.782 1.00 1.79 O ATOM 453 CB SER A 33 -10.098 -5.209 -2.150 1.00 1.72 C ATOM 454 OG SER A 33 -10.454 -3.887 -2.526 1.00 2.36 O ATOM 0 H SER A 33 -9.343 -4.741 -4.443 1.00 1.06 H new ATOM 0 HA SER A 33 -9.843 -7.133 -3.071 1.00 1.37 H new ATOM 0 HB2 SER A 33 -10.681 -5.513 -1.281 1.00 1.72 H new ATOM 0 HB3 SER A 33 -9.049 -5.237 -1.856 1.00 1.72 H new ATOM 0 HG SER A 33 -9.776 -3.526 -3.134 1.00 2.36 H new ATOM 460 N GLY A 34 -12.470 -5.733 -4.373 1.00 1.39 N ATOM 461 CA GLY A 34 -13.883 -5.925 -4.634 1.00 1.87 C ATOM 462 C GLY A 34 -14.183 -7.279 -5.251 1.00 2.00 C ATOM 463 O GLY A 34 -15.270 -7.826 -5.061 1.00 2.54 O ATOM 0 H GLY A 34 -12.027 -5.009 -4.939 1.00 1.39 H new ATOM 0 HA2 GLY A 34 -14.438 -5.824 -3.701 1.00 1.87 H new ATOM 0 HA3 GLY A 34 -14.236 -5.139 -5.302 1.00 1.87 H new ATOM 467 N LEU A 35 -13.224 -7.823 -5.990 1.00 1.81 N ATOM 468 CA LEU A 35 -13.385 -9.139 -6.601 1.00 2.31 C ATOM 469 C LEU A 35 -13.022 -10.227 -5.603 1.00 2.77 C ATOM 470 O LEU A 35 -13.507 -11.355 -5.683 1.00 3.49 O ATOM 471 CB LEU A 35 -12.516 -9.277 -7.859 1.00 2.32 C ATOM 472 CG LEU A 35 -13.040 -8.579 -9.122 1.00 2.47 C ATOM 473 CD1 LEU A 35 -14.457 -9.031 -9.437 1.00 2.79 C ATOM 474 CD2 LEU A 35 -12.973 -7.064 -8.983 1.00 2.93 C ATOM 0 H LEU A 35 -12.328 -7.375 -6.181 1.00 1.81 H new ATOM 0 HA LEU A 35 -14.430 -9.249 -6.893 1.00 2.31 H new ATOM 0 HB2 LEU A 35 -11.524 -8.883 -7.636 1.00 2.32 H new ATOM 0 HB3 LEU A 35 -12.396 -10.338 -8.078 1.00 2.32 H new ATOM 0 HG LEU A 35 -12.396 -8.865 -9.954 1.00 2.47 H new ATOM 0 HD11 LEU A 35 -14.809 -8.524 -10.336 1.00 2.79 H new ATOM 0 HD12 LEU A 35 -14.467 -10.109 -9.600 1.00 2.79 H new ATOM 0 HD13 LEU A 35 -15.112 -8.784 -8.601 1.00 2.79 H new ATOM 0 HD21 LEU A 35 -13.351 -6.598 -9.893 1.00 2.93 H new ATOM 0 HD22 LEU A 35 -13.581 -6.749 -8.135 1.00 2.93 H new ATOM 0 HD23 LEU A 35 -11.939 -6.759 -8.821 1.00 2.93 H new ATOM 486 N LEU A 36 -12.165 -9.873 -4.663 1.00 2.50 N ATOM 487 CA LEU A 36 -11.772 -10.780 -3.602 1.00 3.01 C ATOM 488 C LEU A 36 -12.781 -10.672 -2.459 1.00 2.81 C ATOM 489 O LEU A 36 -13.612 -9.764 -2.442 1.00 2.34 O ATOM 490 CB LEU A 36 -10.360 -10.425 -3.127 1.00 3.19 C ATOM 491 CG LEU A 36 -9.640 -11.506 -2.319 1.00 4.01 C ATOM 492 CD1 LEU A 36 -9.517 -12.791 -3.126 1.00 4.60 C ATOM 493 CD2 LEU A 36 -8.266 -11.017 -1.893 1.00 4.79 C ATOM 0 H LEU A 36 -11.724 -8.954 -4.614 1.00 2.50 H new ATOM 0 HA LEU A 36 -11.762 -11.808 -3.964 1.00 3.01 H new ATOM 0 HB2 LEU A 36 -9.753 -10.185 -4.000 1.00 3.19 H new ATOM 0 HB3 LEU A 36 -10.417 -9.521 -2.520 1.00 3.19 H new ATOM 0 HG LEU A 36 -10.230 -11.717 -1.427 1.00 4.01 H new ATOM 0 HD11 LEU A 36 -9.002 -13.546 -2.532 1.00 4.60 H new ATOM 0 HD12 LEU A 36 -10.511 -13.152 -3.389 1.00 4.60 H new ATOM 0 HD13 LEU A 36 -8.950 -12.596 -4.036 1.00 4.60 H new ATOM 0 HD21 LEU A 36 -7.764 -11.796 -1.319 1.00 4.79 H new ATOM 0 HD22 LEU A 36 -7.674 -10.780 -2.777 1.00 4.79 H new ATOM 0 HD23 LEU A 36 -8.372 -10.124 -1.277 1.00 4.79 H new ATOM 505 N HIS A 37 -12.726 -11.593 -1.509 1.00 3.51 N ATOM 506 CA HIS A 37 -13.684 -11.596 -0.410 1.00 3.61 C ATOM 507 C HIS A 37 -13.203 -10.719 0.740 1.00 3.25 C ATOM 508 O HIS A 37 -13.827 -10.665 1.801 1.00 2.95 O ATOM 509 CB HIS A 37 -13.963 -13.022 0.071 1.00 4.74 C ATOM 510 CG HIS A 37 -14.803 -13.818 -0.883 1.00 5.33 C ATOM 511 ND1 HIS A 37 -14.763 -15.192 -0.958 1.00 5.88 N ATOM 512 CD2 HIS A 37 -15.730 -13.424 -1.791 1.00 5.85 C ATOM 513 CE1 HIS A 37 -15.623 -15.608 -1.867 1.00 6.59 C ATOM 514 NE2 HIS A 37 -16.226 -14.556 -2.387 1.00 6.59 N ATOM 0 H HIS A 37 -12.035 -12.343 -1.475 1.00 3.51 H new ATOM 0 HA HIS A 37 -14.619 -11.177 -0.783 1.00 3.61 H new ATOM 0 HB2 HIS A 37 -13.015 -13.537 0.226 1.00 4.74 H new ATOM 0 HB3 HIS A 37 -14.465 -12.980 1.038 1.00 4.74 H new ATOM 0 HD2 HIS A 37 -16.024 -12.407 -2.005 1.00 5.85 H new ATOM 0 HE1 HIS A 37 -15.803 -16.637 -2.140 1.00 6.59 H new ATOM 0 HE2 HIS A 37 -16.943 -14.580 -3.112 1.00 6.59 H new ATOM 523 N THR A 38 -12.090 -10.033 0.522 1.00 3.58 N ATOM 524 CA THR A 38 -11.564 -9.092 1.496 1.00 3.68 C ATOM 525 C THR A 38 -12.262 -7.744 1.381 1.00 3.15 C ATOM 526 O THR A 38 -12.481 -7.064 2.381 1.00 3.20 O ATOM 527 CB THR A 38 -10.050 -8.901 1.313 1.00 4.74 C ATOM 528 OG1 THR A 38 -9.755 -8.708 -0.078 1.00 5.22 O ATOM 529 CG2 THR A 38 -9.276 -10.098 1.843 1.00 5.42 C ATOM 0 H THR A 38 -11.532 -10.113 -0.328 1.00 3.58 H new ATOM 0 HA THR A 38 -11.752 -9.507 2.486 1.00 3.68 H new ATOM 0 HB THR A 38 -9.744 -8.022 1.881 1.00 4.74 H new ATOM 0 HG1 THR A 38 -8.836 -8.381 -0.175 1.00 5.22 H new ATOM 0 HG21 THR A 38 -8.208 -9.933 1.699 1.00 5.42 H new ATOM 0 HG22 THR A 38 -9.484 -10.224 2.905 1.00 5.42 H new ATOM 0 HG23 THR A 38 -9.580 -10.995 1.304 1.00 5.42 H new ATOM 537 N GLY A 39 -12.648 -7.388 0.161 1.00 2.92 N ATOM 538 CA GLY A 39 -13.300 -6.111 -0.080 1.00 3.07 C ATOM 539 C GLY A 39 -14.759 -6.114 0.331 1.00 2.65 C ATOM 540 O GLY A 39 -15.522 -5.224 -0.043 1.00 3.27 O ATOM 0 H GLY A 39 -12.521 -7.964 -0.671 1.00 2.92 H new ATOM 0 HA2 GLY A 39 -12.774 -5.330 0.468 1.00 3.07 H new ATOM 0 HA3 GLY A 39 -13.225 -5.863 -1.139 1.00 3.07 H new ATOM 544 N ASP A 40 -15.148 -7.129 1.089 1.00 2.12 N ATOM 545 CA ASP A 40 -16.497 -7.217 1.627 1.00 2.43 C ATOM 546 C ASP A 40 -16.674 -6.232 2.772 1.00 2.44 C ATOM 547 O ASP A 40 -17.788 -5.802 3.071 1.00 3.10 O ATOM 548 CB ASP A 40 -16.794 -8.635 2.114 1.00 2.68 C ATOM 549 CG ASP A 40 -17.346 -9.532 1.026 1.00 3.59 C ATOM 550 OD1 ASP A 40 -18.570 -9.785 1.010 1.00 4.07 O ATOM 551 OD2 ASP A 40 -16.560 -9.973 0.162 1.00 4.15 O ATOM 0 H ASP A 40 -14.543 -7.909 1.347 1.00 2.12 H new ATOM 0 HA ASP A 40 -17.197 -6.968 0.830 1.00 2.43 H new ATOM 0 HB2 ASP A 40 -15.880 -9.076 2.511 1.00 2.68 H new ATOM 0 HB3 ASP A 40 -17.508 -8.589 2.936 1.00 2.68 H new ATOM 556 N VAL A 41 -15.565 -5.883 3.411 1.00 1.88 N ATOM 557 CA VAL A 41 -15.587 -4.930 4.513 1.00 1.83 C ATOM 558 C VAL A 41 -15.827 -3.508 4.022 1.00 1.57 C ATOM 559 O VAL A 41 -15.317 -3.098 2.980 1.00 1.47 O ATOM 560 CB VAL A 41 -14.281 -4.963 5.334 1.00 1.92 C ATOM 561 CG1 VAL A 41 -14.218 -6.226 6.176 1.00 2.58 C ATOM 562 CG2 VAL A 41 -13.067 -4.873 4.428 1.00 1.85 C ATOM 0 H VAL A 41 -14.639 -6.246 3.185 1.00 1.88 H new ATOM 0 HA VAL A 41 -16.414 -5.233 5.155 1.00 1.83 H new ATOM 0 HB VAL A 41 -14.275 -4.098 5.997 1.00 1.92 H new ATOM 0 HG11 VAL A 41 -13.291 -6.235 6.750 1.00 2.58 H new ATOM 0 HG12 VAL A 41 -15.067 -6.251 6.859 1.00 2.58 H new ATOM 0 HG13 VAL A 41 -14.250 -7.099 5.525 1.00 2.58 H new ATOM 0 HG21 VAL A 41 -12.160 -4.898 5.032 1.00 1.85 H new ATOM 0 HG22 VAL A 41 -13.066 -5.715 3.736 1.00 1.85 H new ATOM 0 HG23 VAL A 41 -13.102 -3.941 3.864 1.00 1.85 H new ATOM 572 N LEU A 42 -16.618 -2.768 4.779 1.00 1.77 N ATOM 573 CA LEU A 42 -16.908 -1.388 4.475 1.00 1.81 C ATOM 574 C LEU A 42 -16.003 -0.469 5.288 1.00 1.47 C ATOM 575 O LEU A 42 -16.008 0.748 5.113 1.00 1.56 O ATOM 576 CB LEU A 42 -18.366 -1.108 4.808 1.00 2.42 C ATOM 577 CG LEU A 42 -19.386 -2.015 4.112 1.00 2.97 C ATOM 578 CD1 LEU A 42 -20.800 -1.651 4.537 1.00 3.50 C ATOM 579 CD2 LEU A 42 -19.246 -1.926 2.602 1.00 3.37 C ATOM 0 H LEU A 42 -17.076 -3.113 5.623 1.00 1.77 H new ATOM 0 HA LEU A 42 -16.728 -1.201 3.416 1.00 1.81 H new ATOM 0 HB2 LEU A 42 -18.499 -1.201 5.886 1.00 2.42 H new ATOM 0 HB3 LEU A 42 -18.588 -0.073 4.547 1.00 2.42 H new ATOM 0 HG LEU A 42 -19.187 -3.044 4.413 1.00 2.97 H new ATOM 0 HD11 LEU A 42 -21.511 -2.305 4.033 1.00 3.50 H new ATOM 0 HD12 LEU A 42 -20.898 -1.771 5.616 1.00 3.50 H new ATOM 0 HD13 LEU A 42 -21.006 -0.615 4.267 1.00 3.50 H new ATOM 0 HD21 LEU A 42 -19.980 -2.578 2.129 1.00 3.37 H new ATOM 0 HD22 LEU A 42 -19.414 -0.898 2.281 1.00 3.37 H new ATOM 0 HD23 LEU A 42 -18.243 -2.238 2.311 1.00 3.37 H new ATOM 591 N ASP A 43 -15.223 -1.069 6.180 1.00 1.24 N ATOM 592 CA ASP A 43 -14.368 -0.314 7.089 1.00 1.03 C ATOM 593 C ASP A 43 -12.971 -0.108 6.514 1.00 0.78 C ATOM 594 O ASP A 43 -12.107 0.461 7.184 1.00 0.77 O ATOM 595 CB ASP A 43 -14.266 -1.010 8.452 1.00 1.22 C ATOM 596 CG ASP A 43 -13.523 -2.330 8.391 1.00 1.63 C ATOM 597 OD1 ASP A 43 -14.153 -3.363 8.074 1.00 2.29 O ATOM 598 OD2 ASP A 43 -12.300 -2.341 8.641 1.00 2.03 O ATOM 0 H ASP A 43 -15.165 -2.081 6.293 1.00 1.24 H new ATOM 0 HA ASP A 43 -14.832 0.664 7.220 1.00 1.03 H new ATOM 0 HB2 ASP A 43 -13.761 -0.348 9.155 1.00 1.22 H new ATOM 0 HB3 ASP A 43 -15.269 -1.182 8.841 1.00 1.22 H new ATOM 603 N GLN A 44 -12.746 -0.604 5.290 1.00 0.64 N ATOM 604 CA GLN A 44 -11.474 -0.408 4.593 1.00 0.45 C ATOM 605 C GLN A 44 -10.965 1.016 4.771 1.00 0.42 C ATOM 606 O GLN A 44 -11.709 1.987 4.627 1.00 0.57 O ATOM 607 CB GLN A 44 -11.605 -0.688 3.095 1.00 0.42 C ATOM 608 CG GLN A 44 -12.294 -1.999 2.758 1.00 0.57 C ATOM 609 CD GLN A 44 -12.381 -2.256 1.262 1.00 0.64 C ATOM 610 OE1 GLN A 44 -13.326 -1.825 0.600 1.00 1.40 O ATOM 611 NE2 GLN A 44 -11.412 -2.981 0.721 1.00 1.18 N ATOM 0 H GLN A 44 -13.432 -1.145 4.763 1.00 0.64 H new ATOM 0 HA GLN A 44 -10.768 -1.112 5.033 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -12.159 0.129 2.633 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.610 -0.690 2.650 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -11.754 -2.819 3.231 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.299 -1.994 3.179 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -10.645 -3.321 1.301 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -11.434 -3.199 -0.275 1.00 1.18 H new ATOM 620 N VAL A 45 -9.695 1.124 5.079 1.00 0.33 N ATOM 621 CA VAL A 45 -9.079 2.401 5.337 1.00 0.36 C ATOM 622 C VAL A 45 -8.337 2.861 4.099 1.00 0.27 C ATOM 623 O VAL A 45 -7.686 2.067 3.419 1.00 0.33 O ATOM 624 CB VAL A 45 -8.119 2.333 6.545 1.00 0.48 C ATOM 625 CG1 VAL A 45 -6.895 1.532 6.201 1.00 1.19 C ATOM 626 CG2 VAL A 45 -7.744 3.726 7.028 1.00 1.37 C ATOM 0 H VAL A 45 -9.061 0.329 5.158 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.862 3.118 5.582 1.00 0.36 H new ATOM 0 HB VAL A 45 -8.637 1.830 7.362 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -6.230 1.495 7.064 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -7.189 0.519 5.925 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -6.377 2.000 5.364 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -7.068 3.646 7.879 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -7.251 4.270 6.222 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -8.644 4.261 7.329 1.00 1.37 H new ATOM 636 N ALA A 46 -8.485 4.123 3.787 1.00 0.24 N ATOM 637 CA ALA A 46 -7.803 4.712 2.652 1.00 0.21 C ATOM 638 C ALA A 46 -6.888 5.837 3.104 1.00 0.20 C ATOM 639 O ALA A 46 -7.348 6.885 3.559 1.00 0.30 O ATOM 640 CB ALA A 46 -8.812 5.217 1.636 1.00 0.29 C ATOM 0 H ALA A 46 -9.077 4.772 4.306 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.190 3.945 2.179 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.286 5.657 0.789 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.427 4.386 1.290 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.449 5.971 2.099 1.00 0.29 H new ATOM 646 N ILE A 47 -5.593 5.603 2.995 1.00 0.21 N ATOM 647 CA ILE A 47 -4.608 6.612 3.337 1.00 0.21 C ATOM 648 C ILE A 47 -3.835 7.036 2.100 1.00 0.20 C ATOM 649 O ILE A 47 -3.831 6.332 1.086 1.00 0.21 O ATOM 650 CB ILE A 47 -3.637 6.126 4.433 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.124 4.714 4.131 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.325 6.173 5.789 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.186 4.173 5.190 1.00 0.23 C ATOM 0 H ILE A 47 -5.198 4.720 2.671 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.148 7.471 3.736 1.00 0.21 H new ATOM 0 HB ILE A 47 -2.774 6.791 4.452 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.975 4.040 4.032 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.609 4.721 3.170 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.635 5.829 6.559 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.631 7.196 6.007 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.203 5.528 5.774 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.862 3.170 4.911 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.316 4.825 5.273 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.703 4.134 6.149 1.00 0.23 H new ATOM 665 N GLN A 48 -3.208 8.199 2.182 1.00 0.24 N ATOM 666 CA GLN A 48 -2.524 8.784 1.039 1.00 0.25 C ATOM 667 C GLN A 48 -1.167 8.149 0.862 1.00 0.22 C ATOM 668 O GLN A 48 -0.375 8.063 1.798 1.00 0.36 O ATOM 669 CB GLN A 48 -2.385 10.293 1.227 1.00 0.36 C ATOM 670 CG GLN A 48 -2.670 11.115 -0.022 1.00 0.47 C ATOM 671 CD GLN A 48 -1.614 10.961 -1.098 1.00 1.43 C ATOM 672 OE1 GLN A 48 -0.622 11.690 -1.114 1.00 2.38 O ATOM 673 NE2 GLN A 48 -1.832 10.036 -2.016 1.00 1.78 N ATOM 0 H GLN A 48 -3.159 8.759 3.033 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.114 8.597 0.142 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -3.063 10.612 2.018 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.373 10.512 1.567 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.638 10.821 -0.428 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -2.746 12.167 0.254 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -2.668 9.453 -1.965 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -1.165 9.905 -2.776 1.00 1.78 H new ATOM 682 N CYS A 49 -0.914 7.724 -0.350 1.00 0.26 N ATOM 683 CA CYS A 49 0.268 6.966 -0.664 1.00 0.25 C ATOM 684 C CYS A 49 0.996 7.579 -1.851 1.00 0.28 C ATOM 685 O CYS A 49 0.394 8.270 -2.676 1.00 0.32 O ATOM 686 CB CYS A 49 -0.128 5.524 -0.960 1.00 0.25 C ATOM 687 SG CYS A 49 -1.130 4.746 0.351 1.00 1.15 S ATOM 0 H CYS A 49 -1.525 7.895 -1.149 1.00 0.26 H new ATOM 0 HA CYS A 49 0.947 6.984 0.188 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -0.687 5.496 -1.895 1.00 0.25 H new ATOM 0 HB3 CYS A 49 0.776 4.934 -1.111 1.00 0.25 H new ATOM 692 N THR A 50 2.291 7.330 -1.923 1.00 0.28 N ATOM 693 CA THR A 50 3.127 7.893 -2.967 1.00 0.36 C ATOM 694 C THR A 50 4.373 7.034 -3.139 1.00 0.38 C ATOM 695 O THR A 50 4.965 6.586 -2.155 1.00 0.45 O ATOM 696 CB THR A 50 3.513 9.355 -2.636 1.00 0.46 C ATOM 697 OG1 THR A 50 4.392 9.890 -3.634 1.00 0.60 O ATOM 698 CG2 THR A 50 4.172 9.445 -1.271 1.00 0.54 C ATOM 0 H THR A 50 2.791 6.735 -1.263 1.00 0.28 H new ATOM 0 HA THR A 50 2.567 7.901 -3.902 1.00 0.36 H new ATOM 0 HB THR A 50 2.596 9.944 -2.623 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.622 10.815 -3.406 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.434 10.482 -1.061 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.481 9.084 -0.509 1.00 0.54 H new ATOM 0 HG23 THR A 50 5.074 8.834 -1.262 1.00 0.54 H new ATOM 706 N GLN A 51 4.751 6.763 -4.378 1.00 0.39 N ATOM 707 CA GLN A 51 5.882 5.891 -4.626 1.00 0.42 C ATOM 708 C GLN A 51 6.967 6.606 -5.425 1.00 0.42 C ATOM 709 O GLN A 51 6.767 6.981 -6.583 1.00 0.58 O ATOM 710 CB GLN A 51 5.428 4.613 -5.333 1.00 0.57 C ATOM 711 CG GLN A 51 6.119 3.365 -4.804 1.00 0.66 C ATOM 712 CD GLN A 51 7.585 3.303 -5.175 1.00 1.01 C ATOM 713 OE1 GLN A 51 7.979 3.731 -6.258 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.404 2.797 -4.264 1.00 0.74 N ATOM 0 H GLN A 51 4.297 7.129 -5.215 1.00 0.39 H new ATOM 0 HA GLN A 51 6.314 5.614 -3.664 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.350 4.502 -5.216 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.624 4.706 -6.401 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.022 3.334 -3.719 1.00 0.66 H new ATOM 0 HG3 GLN A 51 5.613 2.482 -5.194 1.00 0.66 H new ATOM 0 HE21 GLN A 51 8.032 2.453 -3.379 1.00 0.74 H new ATOM 0 HE22 GLN A 51 9.406 2.751 -4.448 1.00 0.74 H new ATOM 723 N ILE A 52 8.106 6.797 -4.779 1.00 0.43 N ATOM 724 CA ILE A 52 9.273 7.412 -5.398 1.00 0.50 C ATOM 725 C ILE A 52 9.981 6.383 -6.281 1.00 0.56 C ATOM 726 O ILE A 52 10.192 5.256 -5.839 1.00 0.65 O ATOM 727 CB ILE A 52 10.237 7.929 -4.306 1.00 0.63 C ATOM 728 CG1 ILE A 52 9.484 8.869 -3.363 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.437 8.641 -4.921 1.00 0.85 C ATOM 730 CD1 ILE A 52 10.331 9.409 -2.237 1.00 0.95 C ATOM 0 H ILE A 52 8.249 6.529 -3.805 1.00 0.43 H new ATOM 0 HA ILE A 52 8.956 8.255 -6.012 1.00 0.50 H new ATOM 0 HB ILE A 52 10.613 7.075 -3.742 1.00 0.63 H new ATOM 0 HG12 ILE A 52 9.086 9.705 -3.939 1.00 0.72 H new ATOM 0 HG13 ILE A 52 8.631 8.338 -2.941 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.097 8.993 -4.128 1.00 0.85 H new ATOM 0 HG22 ILE A 52 11.980 7.949 -5.564 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.093 9.491 -5.511 1.00 0.85 H new ATOM 0 HD11 ILE A 52 9.728 10.067 -1.611 1.00 0.95 H new ATOM 0 HD12 ILE A 52 10.707 8.581 -1.636 1.00 0.95 H new ATOM 0 HD13 ILE A 52 11.170 9.969 -2.649 1.00 0.95 H new ATOM 742 N PRO A 53 10.361 6.770 -7.529 1.00 0.66 N ATOM 743 CA PRO A 53 10.913 5.868 -8.553 1.00 0.80 C ATOM 744 C PRO A 53 11.768 4.746 -7.979 1.00 0.82 C ATOM 745 O PRO A 53 12.817 4.984 -7.374 1.00 0.87 O ATOM 746 CB PRO A 53 11.768 6.801 -9.428 1.00 0.95 C ATOM 747 CG PRO A 53 11.498 8.197 -8.947 1.00 0.85 C ATOM 748 CD PRO A 53 10.289 8.132 -8.056 1.00 0.70 C ATOM 0 HA PRO A 53 10.119 5.352 -9.092 1.00 0.80 H new ATOM 0 HB2 PRO A 53 12.826 6.557 -9.337 1.00 0.95 H new ATOM 0 HB3 PRO A 53 11.505 6.695 -10.481 1.00 0.95 H new ATOM 0 HG2 PRO A 53 12.357 8.590 -8.403 1.00 0.85 H new ATOM 0 HG3 PRO A 53 11.321 8.867 -9.789 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.329 8.878 -7.262 1.00 0.70 H new ATOM 0 HD3 PRO A 53 9.366 8.305 -8.610 1.00 0.70 H new ATOM 756 N LEU A 54 11.302 3.526 -8.191 1.00 0.90 N ATOM 757 CA LEU A 54 11.852 2.355 -7.544 1.00 0.96 C ATOM 758 C LEU A 54 12.799 1.592 -8.457 1.00 0.90 C ATOM 759 O LEU A 54 12.579 1.495 -9.667 1.00 1.03 O ATOM 760 CB LEU A 54 10.706 1.437 -7.094 1.00 1.27 C ATOM 761 CG LEU A 54 9.830 0.871 -8.224 1.00 1.07 C ATOM 762 CD1 LEU A 54 10.312 -0.507 -8.655 1.00 1.67 C ATOM 763 CD2 LEU A 54 8.373 0.814 -7.802 1.00 1.08 C ATOM 0 H LEU A 54 10.526 3.323 -8.822 1.00 0.90 H new ATOM 0 HA LEU A 54 12.428 2.687 -6.680 1.00 0.96 H new ATOM 0 HB2 LEU A 54 11.130 0.603 -6.534 1.00 1.27 H new ATOM 0 HB3 LEU A 54 10.068 1.992 -6.406 1.00 1.27 H new ATOM 0 HG LEU A 54 9.916 1.543 -9.078 1.00 1.07 H new ATOM 0 HD11 LEU A 54 9.674 -0.882 -9.455 1.00 1.67 H new ATOM 0 HD12 LEU A 54 11.339 -0.438 -9.013 1.00 1.67 H new ATOM 0 HD13 LEU A 54 10.269 -1.190 -7.806 1.00 1.67 H new ATOM 0 HD21 LEU A 54 7.773 0.410 -8.618 1.00 1.08 H new ATOM 0 HD22 LEU A 54 8.273 0.173 -6.926 1.00 1.08 H new ATOM 0 HD23 LEU A 54 8.025 1.818 -7.558 1.00 1.08 H new ATOM 775 N LEU A 55 13.869 1.081 -7.875 1.00 0.88 N ATOM 776 CA LEU A 55 14.707 0.109 -8.549 1.00 0.96 C ATOM 777 C LEU A 55 14.049 -1.256 -8.423 1.00 0.93 C ATOM 778 O LEU A 55 13.590 -1.627 -7.341 1.00 0.85 O ATOM 779 CB LEU A 55 16.105 0.075 -7.927 1.00 1.08 C ATOM 780 CG LEU A 55 16.892 1.385 -8.002 1.00 1.26 C ATOM 781 CD1 LEU A 55 18.221 1.248 -7.278 1.00 1.52 C ATOM 782 CD2 LEU A 55 17.114 1.797 -9.451 1.00 1.58 C ATOM 0 H LEU A 55 14.178 1.325 -6.934 1.00 0.88 H new ATOM 0 HA LEU A 55 14.814 0.383 -9.598 1.00 0.96 H new ATOM 0 HB2 LEU A 55 16.011 -0.212 -6.880 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.684 -0.705 -8.421 1.00 1.08 H new ATOM 0 HG LEU A 55 16.309 2.164 -7.511 1.00 1.26 H new ATOM 0 HD11 LEU A 55 18.768 2.189 -7.341 1.00 1.52 H new ATOM 0 HD12 LEU A 55 18.042 1.002 -6.231 1.00 1.52 H new ATOM 0 HD13 LEU A 55 18.808 0.455 -7.742 1.00 1.52 H new ATOM 0 HD21 LEU A 55 17.675 2.731 -9.482 1.00 1.58 H new ATOM 0 HD22 LEU A 55 17.675 1.019 -9.969 1.00 1.58 H new ATOM 0 HD23 LEU A 55 16.151 1.937 -9.941 1.00 1.58 H new ATOM 794 N ILE A 56 13.975 -1.995 -9.516 1.00 1.10 N ATOM 795 CA ILE A 56 13.322 -3.292 -9.487 1.00 1.16 C ATOM 796 C ILE A 56 14.126 -4.265 -8.643 1.00 1.07 C ATOM 797 O ILE A 56 15.331 -4.434 -8.839 1.00 1.14 O ATOM 798 CB ILE A 56 13.135 -3.894 -10.887 1.00 1.45 C ATOM 799 CG1 ILE A 56 12.486 -2.879 -11.833 1.00 1.68 C ATOM 800 CG2 ILE A 56 12.294 -5.160 -10.797 1.00 1.58 C ATOM 801 CD1 ILE A 56 12.277 -3.404 -13.239 1.00 2.11 C ATOM 0 H ILE A 56 14.354 -1.724 -10.424 1.00 1.10 H new ATOM 0 HA ILE A 56 12.335 -3.131 -9.054 1.00 1.16 H new ATOM 0 HB ILE A 56 14.114 -4.150 -11.292 1.00 1.45 H new ATOM 0 HG12 ILE A 56 11.524 -2.576 -11.421 1.00 1.68 H new ATOM 0 HG13 ILE A 56 13.110 -1.986 -11.877 1.00 1.68 H new ATOM 0 HG21 ILE A 56 12.165 -5.583 -11.793 1.00 1.58 H new ATOM 0 HG22 ILE A 56 12.796 -5.886 -10.157 1.00 1.58 H new ATOM 0 HG23 ILE A 56 11.318 -4.919 -10.376 1.00 1.58 H new ATOM 0 HD11 ILE A 56 11.814 -2.630 -13.851 1.00 2.11 H new ATOM 0 HD12 ILE A 56 13.239 -3.681 -13.671 1.00 2.11 H new ATOM 0 HD13 ILE A 56 11.628 -4.279 -13.208 1.00 2.11 H new ATOM 813 N GLY A 57 13.448 -4.905 -7.713 1.00 1.03 N ATOM 814 CA GLY A 57 14.111 -5.796 -6.789 1.00 1.00 C ATOM 815 C GLY A 57 14.540 -5.077 -5.527 1.00 0.86 C ATOM 816 O GLY A 57 15.283 -5.623 -4.710 1.00 0.90 O ATOM 0 H GLY A 57 12.440 -4.824 -7.578 1.00 1.03 H new ATOM 0 HA2 GLY A 57 13.441 -6.616 -6.531 1.00 1.00 H new ATOM 0 HA3 GLY A 57 14.984 -6.237 -7.271 1.00 1.00 H new ATOM 820 N ILE A 58 14.089 -3.839 -5.382 1.00 0.77 N ATOM 821 CA ILE A 58 14.366 -3.050 -4.197 1.00 0.66 C ATOM 822 C ILE A 58 13.185 -3.088 -3.234 1.00 0.61 C ATOM 823 O ILE A 58 12.053 -3.385 -3.621 1.00 0.69 O ATOM 824 CB ILE A 58 14.732 -1.589 -4.581 1.00 0.67 C ATOM 825 CG1 ILE A 58 16.221 -1.336 -4.330 1.00 0.72 C ATOM 826 CG2 ILE A 58 13.881 -0.560 -3.844 1.00 0.60 C ATOM 827 CD1 ILE A 58 16.616 -1.415 -2.868 1.00 0.71 C ATOM 0 H ILE A 58 13.523 -3.358 -6.081 1.00 0.77 H new ATOM 0 HA ILE A 58 15.225 -3.487 -3.688 1.00 0.66 H new ATOM 0 HB ILE A 58 14.519 -1.470 -5.643 1.00 0.67 H new ATOM 0 HG12 ILE A 58 16.804 -2.064 -4.894 1.00 0.72 H new ATOM 0 HG13 ILE A 58 16.483 -0.350 -4.715 1.00 0.72 H new ATOM 0 HG21 ILE A 58 14.178 0.443 -4.149 1.00 0.60 H new ATOM 0 HG22 ILE A 58 12.830 -0.717 -4.086 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.026 -0.670 -2.769 1.00 0.60 H new ATOM 0 HD11 ILE A 58 17.685 -1.225 -2.769 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.061 -0.669 -2.300 1.00 0.71 H new ATOM 0 HD13 ILE A 58 16.387 -2.408 -2.482 1.00 0.71 H new ATOM 839 N ALA A 59 13.481 -2.810 -1.978 1.00 0.57 N ATOM 840 CA ALA A 59 12.496 -2.805 -0.917 1.00 0.59 C ATOM 841 C ALA A 59 11.845 -1.430 -0.784 1.00 0.49 C ATOM 842 O ALA A 59 12.515 -0.401 -0.834 1.00 0.50 O ATOM 843 CB ALA A 59 13.181 -3.188 0.376 1.00 0.68 C ATOM 0 H ALA A 59 14.424 -2.579 -1.664 1.00 0.57 H new ATOM 0 HA ALA A 59 11.709 -3.522 -1.150 1.00 0.59 H new ATOM 0 HB1 ALA A 59 12.453 -3.189 1.187 1.00 0.68 H new ATOM 0 HB2 ALA A 59 13.615 -4.183 0.277 1.00 0.68 H new ATOM 0 HB3 ALA A 59 13.969 -2.468 0.597 1.00 0.68 H new ATOM 849 N ILE A 60 10.527 -1.447 -0.592 1.00 0.46 N ATOM 850 CA ILE A 60 9.704 -0.238 -0.453 1.00 0.42 C ATOM 851 C ILE A 60 10.241 0.702 0.631 1.00 0.40 C ATOM 852 O ILE A 60 10.234 1.918 0.466 1.00 0.39 O ATOM 853 CB ILE A 60 8.248 -0.641 -0.099 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.319 0.572 -0.069 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.206 -1.374 1.238 1.00 0.62 C ATOM 856 CD1 ILE A 60 7.027 1.142 -1.438 1.00 0.69 C ATOM 0 H ILE A 60 9.989 -2.311 -0.527 1.00 0.46 H new ATOM 0 HA ILE A 60 9.735 0.293 -1.405 1.00 0.42 H new ATOM 0 HB ILE A 60 7.893 -1.312 -0.881 1.00 0.53 H new ATOM 0 HG12 ILE A 60 6.380 0.289 0.406 1.00 0.61 H new ATOM 0 HG13 ILE A 60 7.768 1.348 0.551 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.177 -1.649 1.470 1.00 0.62 H new ATOM 0 HG22 ILE A 60 8.818 -2.274 1.179 1.00 0.62 H new ATOM 0 HG23 ILE A 60 8.593 -0.723 2.022 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.362 2.000 -1.341 1.00 0.69 H new ATOM 0 HD12 ILE A 60 7.959 1.457 -1.907 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.549 0.381 -2.055 1.00 0.69 H new ATOM 868 N GLU A 61 10.724 0.126 1.723 1.00 0.49 N ATOM 869 CA GLU A 61 11.156 0.900 2.875 1.00 0.60 C ATOM 870 C GLU A 61 12.547 1.489 2.664 1.00 0.58 C ATOM 871 O GLU A 61 12.946 2.430 3.353 1.00 0.71 O ATOM 872 CB GLU A 61 11.134 0.019 4.125 1.00 0.83 C ATOM 873 CG GLU A 61 11.748 -1.354 3.905 1.00 0.73 C ATOM 874 CD GLU A 61 12.056 -2.072 5.201 1.00 1.47 C ATOM 875 OE1 GLU A 61 11.261 -2.941 5.606 1.00 2.20 O ATOM 876 OE2 GLU A 61 13.104 -1.772 5.813 1.00 1.82 O ATOM 0 H GLU A 61 10.826 -0.883 1.834 1.00 0.49 H new ATOM 0 HA GLU A 61 10.464 1.732 3.006 1.00 0.60 H new ATOM 0 HB2 GLU A 61 11.671 0.525 4.927 1.00 0.83 H new ATOM 0 HB3 GLU A 61 10.103 -0.101 4.458 1.00 0.83 H new ATOM 0 HG2 GLU A 61 11.065 -1.962 3.311 1.00 0.73 H new ATOM 0 HG3 GLU A 61 12.666 -1.248 3.326 1.00 0.73 H new ATOM 883 N ASP A 62 13.279 0.944 1.704 1.00 0.54 N ATOM 884 CA ASP A 62 14.623 1.421 1.409 1.00 0.60 C ATOM 885 C ASP A 62 14.613 2.293 0.164 1.00 0.51 C ATOM 886 O ASP A 62 15.640 2.845 -0.231 1.00 0.65 O ATOM 887 CB ASP A 62 15.592 0.252 1.213 1.00 0.75 C ATOM 888 CG ASP A 62 15.858 -0.511 2.494 1.00 1.16 C ATOM 889 OD1 ASP A 62 16.543 0.031 3.384 1.00 1.22 O ATOM 890 OD2 ASP A 62 15.379 -1.660 2.621 1.00 1.98 O ATOM 0 H ASP A 62 12.966 0.172 1.116 1.00 0.54 H new ATOM 0 HA ASP A 62 14.962 2.012 2.260 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.185 -0.430 0.467 1.00 0.75 H new ATOM 0 HB3 ASP A 62 16.535 0.630 0.818 1.00 0.75 H new ATOM 895 N GLU A 63 13.446 2.413 -0.453 1.00 0.40 N ATOM 896 CA GLU A 63 13.315 3.188 -1.670 1.00 0.40 C ATOM 897 C GLU A 63 12.686 4.547 -1.380 1.00 0.34 C ATOM 898 O GLU A 63 12.856 5.501 -2.141 1.00 0.42 O ATOM 899 CB GLU A 63 12.479 2.422 -2.696 1.00 0.43 C ATOM 900 CG GLU A 63 12.539 3.023 -4.087 1.00 0.64 C ATOM 901 CD GLU A 63 13.958 3.132 -4.617 1.00 1.40 C ATOM 902 OE1 GLU A 63 14.706 4.022 -4.166 1.00 2.09 O ATOM 903 OE2 GLU A 63 14.338 2.324 -5.493 1.00 1.68 O ATOM 0 H GLU A 63 12.580 1.983 -0.128 1.00 0.40 H new ATOM 0 HA GLU A 63 14.311 3.354 -2.082 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.825 1.389 -2.739 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.441 2.397 -2.363 1.00 0.43 H new ATOM 0 HG2 GLU A 63 11.947 2.412 -4.768 1.00 0.64 H new ATOM 0 HG3 GLU A 63 12.084 4.014 -4.070 1.00 0.64 H new ATOM 910 N CYS A 64 11.973 4.641 -0.274 1.00 0.29 N ATOM 911 CA CYS A 64 11.298 5.874 0.076 1.00 0.32 C ATOM 912 C CYS A 64 11.509 6.190 1.553 1.00 0.40 C ATOM 913 O CYS A 64 11.790 5.294 2.353 1.00 0.60 O ATOM 914 CB CYS A 64 9.808 5.755 -0.245 1.00 0.33 C ATOM 915 SG CYS A 64 8.833 4.864 1.005 1.00 0.47 S ATOM 0 H CYS A 64 11.847 3.881 0.395 1.00 0.29 H new ATOM 0 HA CYS A 64 11.718 6.692 -0.510 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.394 6.756 -0.363 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.696 5.248 -1.203 1.00 0.33 H new ATOM 920 N LYS A 65 11.383 7.461 1.913 1.00 0.43 N ATOM 921 CA LYS A 65 11.579 7.887 3.293 1.00 0.51 C ATOM 922 C LYS A 65 10.245 8.181 3.965 1.00 0.45 C ATOM 923 O LYS A 65 10.083 9.192 4.651 1.00 0.60 O ATOM 924 CB LYS A 65 12.488 9.116 3.350 1.00 0.69 C ATOM 925 CG LYS A 65 13.907 8.843 2.881 1.00 1.41 C ATOM 926 CD LYS A 65 14.546 7.726 3.688 1.00 1.33 C ATOM 927 CE LYS A 65 16.023 7.578 3.368 1.00 1.77 C ATOM 928 NZ LYS A 65 16.672 6.557 4.225 1.00 2.32 N ATOM 0 H LYS A 65 11.146 8.215 1.268 1.00 0.43 H new ATOM 0 HA LYS A 65 12.061 7.073 3.834 1.00 0.51 H new ATOM 0 HB2 LYS A 65 12.056 9.906 2.735 1.00 0.69 H new ATOM 0 HB3 LYS A 65 12.518 9.489 4.374 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.898 8.573 1.825 1.00 1.41 H new ATOM 0 HG3 LYS A 65 14.504 9.750 2.974 1.00 1.41 H new ATOM 0 HD2 LYS A 65 14.422 7.929 4.752 1.00 1.33 H new ATOM 0 HD3 LYS A 65 14.033 6.787 3.481 1.00 1.33 H new ATOM 0 HE2 LYS A 65 16.142 7.302 2.320 1.00 1.77 H new ATOM 0 HE3 LYS A 65 16.522 8.537 3.504 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 17.679 6.485 3.977 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 16.580 6.833 5.224 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 16.212 5.636 4.077 1.00 2.32 H new ATOM 942 N ASN A 66 9.293 7.290 3.753 1.00 0.35 N ATOM 943 CA ASN A 66 7.966 7.411 4.346 1.00 0.30 C ATOM 944 C ASN A 66 7.638 6.151 5.131 1.00 0.29 C ATOM 945 O ASN A 66 8.528 5.348 5.417 1.00 0.41 O ATOM 946 CB ASN A 66 6.900 7.648 3.274 1.00 0.36 C ATOM 947 CG ASN A 66 6.893 9.071 2.752 1.00 0.59 C ATOM 948 OD1 ASN A 66 7.935 9.709 2.617 1.00 1.06 O ATOM 949 ND2 ASN A 66 5.709 9.586 2.484 1.00 1.02 N ATOM 0 H ASN A 66 9.414 6.464 3.168 1.00 0.35 H new ATOM 0 HA ASN A 66 7.969 8.270 5.017 1.00 0.30 H new ATOM 0 HB2 ASN A 66 7.069 6.963 2.443 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.919 7.413 3.687 1.00 0.36 H new ATOM 0 HD21 ASN A 66 5.634 10.547 2.151 1.00 1.02 H new ATOM 0 HD22 ASN A 66 4.868 9.023 2.609 1.00 1.02 H new ATOM 956 N THR A 67 6.375 5.973 5.485 1.00 0.28 N ATOM 957 CA THR A 67 5.964 4.794 6.210 1.00 0.27 C ATOM 958 C THR A 67 5.615 3.673 5.239 1.00 0.25 C ATOM 959 O THR A 67 4.841 3.867 4.300 1.00 0.26 O ATOM 960 CB THR A 67 4.757 5.079 7.126 1.00 0.29 C ATOM 961 OG1 THR A 67 5.023 6.229 7.941 1.00 0.34 O ATOM 962 CG2 THR A 67 4.470 3.880 8.016 1.00 0.31 C ATOM 0 H THR A 67 5.623 6.631 5.280 1.00 0.28 H new ATOM 0 HA THR A 67 6.801 4.488 6.838 1.00 0.27 H new ATOM 0 HB THR A 67 3.885 5.271 6.500 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.252 6.406 8.519 1.00 0.34 H new ATOM 0 HG21 THR A 67 3.615 4.098 8.656 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.247 3.012 7.396 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.342 3.669 8.635 1.00 0.31 H new ATOM 970 N PRO A 68 6.202 2.495 5.449 1.00 0.28 N ATOM 971 CA PRO A 68 5.938 1.329 4.627 1.00 0.30 C ATOM 972 C PRO A 68 4.654 0.638 5.061 1.00 0.25 C ATOM 973 O PRO A 68 4.474 0.310 6.234 1.00 0.28 O ATOM 974 CB PRO A 68 7.154 0.438 4.881 1.00 0.38 C ATOM 975 CG PRO A 68 7.654 0.817 6.238 1.00 0.45 C ATOM 976 CD PRO A 68 7.155 2.210 6.531 1.00 0.38 C ATOM 0 HA PRO A 68 5.800 1.571 3.573 1.00 0.30 H new ATOM 0 HB2 PRO A 68 6.882 -0.617 4.844 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.921 0.596 4.123 1.00 0.38 H new ATOM 0 HG2 PRO A 68 7.294 0.114 6.990 1.00 0.45 H new ATOM 0 HG3 PRO A 68 8.743 0.785 6.268 1.00 0.45 H new ATOM 0 HD2 PRO A 68 6.674 2.262 7.508 1.00 0.38 H new ATOM 0 HD3 PRO A 68 7.973 2.931 6.540 1.00 0.38 H new ATOM 984 N THR A 69 3.749 0.447 4.131 1.00 0.23 N ATOM 985 CA THR A 69 2.486 -0.186 4.430 1.00 0.21 C ATOM 986 C THR A 69 2.242 -1.398 3.533 1.00 0.23 C ATOM 987 O THR A 69 2.772 -1.483 2.424 1.00 0.29 O ATOM 988 CB THR A 69 1.326 0.809 4.241 1.00 0.24 C ATOM 989 OG1 THR A 69 1.572 1.611 3.086 1.00 0.31 O ATOM 990 CG2 THR A 69 1.116 1.718 5.440 1.00 0.30 C ATOM 0 H THR A 69 3.864 0.722 3.156 1.00 0.23 H new ATOM 0 HA THR A 69 2.529 -0.515 5.468 1.00 0.21 H new ATOM 0 HB THR A 69 0.419 0.217 4.122 1.00 0.24 H new ATOM 0 HG1 THR A 69 0.740 1.719 2.580 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.285 2.395 5.242 1.00 0.30 H new ATOM 0 HG22 THR A 69 0.892 1.114 6.319 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.021 2.298 5.620 1.00 0.30 H new ATOM 998 N CYS A 70 1.457 -2.338 4.035 1.00 0.23 N ATOM 999 CA CYS A 70 0.985 -3.465 3.240 1.00 0.27 C ATOM 1000 C CYS A 70 -0.498 -3.282 2.939 1.00 0.22 C ATOM 1001 O CYS A 70 -1.349 -3.496 3.806 1.00 0.27 O ATOM 1002 CB CYS A 70 1.220 -4.783 3.989 1.00 0.38 C ATOM 1003 SG CYS A 70 0.343 -6.225 3.285 1.00 1.26 S ATOM 0 H CYS A 70 1.129 -2.343 5.001 1.00 0.23 H new ATOM 0 HA CYS A 70 1.541 -3.503 2.303 1.00 0.27 H new ATOM 0 HB2 CYS A 70 2.289 -4.994 3.999 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.910 -4.657 5.026 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.807 -2.865 1.718 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.183 -2.580 1.335 1.00 0.19 C ATOM 1010 C CYS A 71 -2.877 -3.857 0.902 1.00 0.21 C ATOM 1011 O CYS A 71 -2.273 -4.717 0.254 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.252 -1.577 0.172 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.757 0.132 0.568 1.00 0.29 S ATOM 0 H CYS A 71 -0.123 -2.717 0.976 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.677 -2.149 2.206 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.617 -1.941 -0.635 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.273 -1.560 -0.209 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.141 -3.976 1.259 1.00 0.22 N ATOM 1019 CA GLU A 72 -4.974 -5.051 0.790 1.00 0.24 C ATOM 1020 C GLU A 72 -5.374 -4.763 -0.654 1.00 0.25 C ATOM 1021 O GLU A 72 -5.611 -5.670 -1.452 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.188 -5.163 1.715 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.434 -5.677 1.043 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.601 -5.779 1.996 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.516 -4.938 1.904 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -8.592 -6.680 2.858 1.00 1.37 O ATOM 0 H GLU A 72 -4.615 -3.325 1.885 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.447 -6.005 0.808 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -5.938 -5.824 2.545 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.397 -4.182 2.141 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -7.698 -5.015 0.218 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -7.233 -6.658 0.612 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.412 -3.475 -0.977 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.683 -3.011 -2.329 1.00 0.24 C ATOM 1035 C ASP A 73 -5.165 -1.586 -2.468 1.00 0.22 C ATOM 1036 O ASP A 73 -4.897 -0.938 -1.461 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.180 -3.042 -2.609 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.485 -3.109 -4.086 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.677 -3.117 -4.451 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -6.532 -3.132 -4.887 1.00 1.03 O ATOM 0 H ASP A 73 -5.255 -2.723 -0.306 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.184 -3.664 -3.045 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.623 -3.903 -2.109 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.645 -2.153 -2.184 1.00 0.29 H new ATOM 1045 N VAL A 74 -4.994 -1.101 -3.692 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.586 0.288 -3.904 1.00 0.30 C ATOM 1047 C VAL A 74 -5.344 0.875 -5.091 1.00 0.43 C ATOM 1048 O VAL A 74 -5.461 0.239 -6.138 1.00 0.68 O ATOM 1049 CB VAL A 74 -3.066 0.444 -4.165 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.624 1.859 -3.844 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.249 -0.556 -3.364 1.00 1.07 C ATOM 0 H VAL A 74 -5.129 -1.640 -4.547 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.822 0.821 -2.983 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.890 0.241 -5.221 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.555 1.957 -4.031 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -3.169 2.562 -4.474 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.831 2.076 -2.796 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.189 -0.413 -3.576 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.430 -0.404 -2.300 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.541 -1.569 -3.641 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.851 2.085 -4.926 1.00 0.33 N ATOM 1062 CA GLU A 75 -6.617 2.751 -5.972 1.00 0.46 C ATOM 1063 C GLU A 75 -5.772 3.865 -6.606 1.00 0.50 C ATOM 1064 O GLU A 75 -4.727 4.241 -6.062 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.923 3.312 -5.386 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.957 3.709 -6.430 1.00 0.98 C ATOM 1067 CD GLU A 75 -10.246 4.226 -5.823 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -10.333 5.443 -5.561 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -11.188 3.425 -5.632 1.00 1.85 O ATOM 0 H GLU A 75 -5.746 2.632 -4.071 1.00 0.33 H new ATOM 0 HA GLU A 75 -6.874 2.032 -6.750 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -8.361 2.565 -4.723 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.689 4.183 -4.774 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -8.534 4.477 -7.078 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -9.179 2.847 -7.059 1.00 0.98 H new ATOM 1076 N ASP A 76 -6.223 4.366 -7.761 1.00 0.61 N ATOM 1077 CA ASP A 76 -5.516 5.407 -8.517 1.00 0.65 C ATOM 1078 C ASP A 76 -4.209 4.841 -9.060 1.00 0.67 C ATOM 1079 O ASP A 76 -4.108 3.639 -9.301 1.00 0.69 O ATOM 1080 CB ASP A 76 -5.241 6.646 -7.646 1.00 0.61 C ATOM 1081 CG ASP A 76 -5.234 7.931 -8.450 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -6.245 8.669 -8.413 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -4.225 8.207 -9.125 1.00 1.15 O ATOM 0 H ASP A 76 -7.092 4.060 -8.200 1.00 0.61 H new ATOM 0 HA ASP A 76 -6.150 5.722 -9.346 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -5.999 6.713 -6.866 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -4.279 6.529 -7.146 1.00 0.61 H new ATOM 1088 N ASP A 77 -3.210 5.691 -9.251 1.00 0.70 N ATOM 1089 CA ASP A 77 -1.876 5.225 -9.630 1.00 0.77 C ATOM 1090 C ASP A 77 -1.126 4.695 -8.409 1.00 0.67 C ATOM 1091 O ASP A 77 0.104 4.639 -8.396 1.00 0.81 O ATOM 1092 CB ASP A 77 -1.059 6.345 -10.285 1.00 0.89 C ATOM 1093 CG ASP A 77 -1.552 6.710 -11.671 1.00 1.36 C ATOM 1094 OD1 ASP A 77 -1.492 5.854 -12.575 1.00 1.59 O ATOM 1095 OD2 ASP A 77 -2.008 7.855 -11.867 1.00 2.12 O ATOM 0 H ASP A 77 -3.293 6.703 -9.151 1.00 0.70 H new ATOM 0 HA ASP A 77 -2.004 4.420 -10.354 1.00 0.77 H new ATOM 0 HB2 ASP A 77 -1.093 7.230 -9.650 1.00 0.89 H new ATOM 0 HB3 ASP A 77 -0.015 6.036 -10.347 1.00 0.89 H new ATOM 1100 N GLY A 78 -1.874 4.300 -7.389 1.00 0.51 N ATOM 1101 CA GLY A 78 -1.270 3.841 -6.159 1.00 0.44 C ATOM 1102 C GLY A 78 -1.229 4.929 -5.105 1.00 0.33 C ATOM 1103 O GLY A 78 -0.409 4.889 -4.191 1.00 0.35 O ATOM 0 H GLY A 78 -2.894 4.290 -7.394 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.830 2.987 -5.777 1.00 0.44 H new ATOM 0 HA3 GLY A 78 -0.257 3.493 -6.361 1.00 0.44 H new ATOM 1107 N LEU A 79 -2.116 5.910 -5.238 1.00 0.27 N ATOM 1108 CA LEU A 79 -2.137 7.043 -4.319 1.00 0.22 C ATOM 1109 C LEU A 79 -3.040 6.768 -3.127 1.00 0.19 C ATOM 1110 O LEU A 79 -2.968 7.457 -2.113 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.635 8.309 -5.020 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.971 8.636 -6.356 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -2.436 9.994 -6.851 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -0.456 8.604 -6.231 1.00 0.94 C ATOM 0 H LEU A 79 -2.826 5.944 -5.969 1.00 0.27 H new ATOM 0 HA LEU A 79 -1.113 7.190 -3.975 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.708 8.212 -5.184 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.490 9.154 -4.348 1.00 0.26 H new ATOM 0 HG LEU A 79 -2.265 7.878 -7.082 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -1.957 10.218 -7.804 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -3.518 9.982 -6.983 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -2.168 10.758 -6.122 1.00 1.10 H new ATOM 0 HD21 LEU A 79 -0.006 8.840 -7.195 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.136 9.339 -5.492 1.00 0.94 H new ATOM 0 HD23 LEU A 79 -0.138 7.610 -5.916 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.903 5.778 -3.258 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.877 5.483 -2.221 1.00 0.20 C ATOM 1128 C VAL A 80 -4.799 4.020 -1.818 1.00 0.20 C ATOM 1129 O VAL A 80 -5.267 3.144 -2.544 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.307 5.814 -2.698 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.325 5.538 -1.602 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.391 7.261 -3.159 1.00 0.33 C ATOM 0 H VAL A 80 -3.950 5.164 -4.071 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.643 6.105 -1.357 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.542 5.168 -3.544 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.324 5.780 -1.964 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.284 4.485 -1.325 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.097 6.152 -0.731 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.406 7.478 -3.492 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -6.131 7.922 -2.332 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.696 7.421 -3.984 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.198 3.756 -0.673 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.026 2.390 -0.237 1.00 0.21 C ATOM 1144 C GLY A 81 -5.137 1.935 0.680 1.00 0.20 C ATOM 1145 O GLY A 81 -5.502 2.638 1.623 1.00 0.26 O ATOM 0 H GLY A 81 -3.826 4.462 -0.038 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -3.986 1.736 -1.108 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.070 2.293 0.278 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.665 0.751 0.404 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.769 0.194 1.165 1.00 0.17 C ATOM 1151 C ILE A 82 -6.251 -0.773 2.209 1.00 0.17 C ATOM 1152 O ILE A 82 -5.495 -1.694 1.887 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.790 -0.539 0.255 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.763 0.448 -0.393 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.552 -1.599 1.032 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.113 1.370 -1.392 1.00 0.30 C ATOM 0 H ILE A 82 -5.339 0.151 -0.354 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.279 1.028 1.648 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.227 -1.032 -0.537 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.557 -0.110 -0.890 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.234 1.046 0.387 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.260 -2.097 0.370 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -7.851 -2.332 1.430 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.092 -1.130 1.854 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -8.864 2.041 -1.810 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.339 1.956 -0.897 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.666 0.781 -2.193 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.652 -0.546 3.456 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.295 -1.435 4.563 1.00 0.21 C ATOM 1170 C ASN A 83 -4.794 -1.632 4.619 1.00 0.22 C ATOM 1171 O ASN A 83 -4.299 -2.746 4.794 1.00 0.29 O ATOM 1172 CB ASN A 83 -7.012 -2.779 4.425 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.472 -2.693 4.811 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.862 -1.875 5.647 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.293 -3.530 4.203 1.00 0.29 N ATOM 0 H ASN A 83 -7.228 0.250 3.729 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.616 -0.972 5.496 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.931 -3.128 3.395 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.516 -3.519 5.052 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.290 -3.514 4.420 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.930 -4.192 3.517 1.00 0.29 H new ATOM 1182 N CYS A 84 -4.071 -0.536 4.454 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.624 -0.589 4.422 1.00 0.23 C ATOM 1184 C CYS A 84 -2.067 -0.483 5.826 1.00 0.25 C ATOM 1185 O CYS A 84 -2.029 0.599 6.413 1.00 0.33 O ATOM 1186 CB CYS A 84 -2.051 0.532 3.567 1.00 0.26 C ATOM 1187 SG CYS A 84 -0.819 -0.017 2.347 1.00 0.81 S ATOM 0 H CYS A 84 -4.465 0.398 4.341 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.335 -1.544 3.983 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.868 1.029 3.044 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -1.593 1.275 4.220 1.00 0.26 H new ATOM 1192 N THR A 85 -1.651 -1.606 6.364 1.00 0.25 N ATOM 1193 CA THR A 85 -1.075 -1.639 7.692 1.00 0.28 C ATOM 1194 C THR A 85 0.398 -1.270 7.632 1.00 0.24 C ATOM 1195 O THR A 85 1.147 -1.798 6.807 1.00 0.23 O ATOM 1196 CB THR A 85 -1.242 -3.028 8.326 1.00 0.36 C ATOM 1197 OG1 THR A 85 -2.582 -3.491 8.114 1.00 0.43 O ATOM 1198 CG2 THR A 85 -0.948 -2.979 9.816 1.00 0.44 C ATOM 0 H THR A 85 -1.700 -2.514 5.901 1.00 0.25 H new ATOM 0 HA THR A 85 -1.601 -0.912 8.311 1.00 0.28 H new ATOM 0 HB THR A 85 -0.536 -3.713 7.857 1.00 0.36 H new ATOM 0 HG1 THR A 85 -2.689 -4.378 8.517 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.072 -3.974 10.244 1.00 0.44 H new ATOM 0 HG22 THR A 85 0.076 -2.642 9.974 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.637 -2.287 10.300 1.00 0.44 H new ATOM 1206 N PRO A 86 0.819 -0.339 8.495 1.00 0.26 N ATOM 1207 CA PRO A 86 2.176 0.143 8.528 1.00 0.28 C ATOM 1208 C PRO A 86 3.123 -0.872 9.144 1.00 0.33 C ATOM 1209 O PRO A 86 3.081 -1.138 10.349 1.00 0.39 O ATOM 1210 CB PRO A 86 2.103 1.415 9.359 1.00 0.37 C ATOM 1211 CG PRO A 86 0.831 1.360 10.111 1.00 0.35 C ATOM 1212 CD PRO A 86 -0.011 0.286 9.516 1.00 0.29 C ATOM 0 HA PRO A 86 2.571 0.322 7.528 1.00 0.28 H new ATOM 0 HB2 PRO A 86 2.952 1.482 10.039 1.00 0.37 H new ATOM 0 HB3 PRO A 86 2.137 2.297 8.720 1.00 0.37 H new ATOM 0 HG2 PRO A 86 1.020 1.156 11.165 1.00 0.35 H new ATOM 0 HG3 PRO A 86 0.317 2.320 10.060 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.315 -0.438 10.272 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.923 0.697 9.083 1.00 0.29 H new ATOM 1220 N ILE A 87 3.969 -1.442 8.308 1.00 0.37 N ATOM 1221 CA ILE A 87 4.862 -2.495 8.723 1.00 0.47 C ATOM 1222 C ILE A 87 6.124 -1.927 9.361 1.00 0.57 C ATOM 1223 O ILE A 87 6.685 -0.938 8.885 1.00 0.56 O ATOM 1224 CB ILE A 87 5.235 -3.403 7.538 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.503 -2.570 6.280 1.00 0.41 C ATOM 1226 CG2 ILE A 87 4.126 -4.413 7.292 1.00 0.53 C ATOM 1227 CD1 ILE A 87 6.113 -3.350 5.136 1.00 0.49 C ATOM 0 H ILE A 87 4.053 -1.185 7.324 1.00 0.37 H new ATOM 0 HA ILE A 87 4.336 -3.093 9.468 1.00 0.47 H new ATOM 0 HB ILE A 87 6.150 -3.942 7.782 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.565 -2.128 5.944 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.168 -1.746 6.539 1.00 0.41 H new ATOM 0 HG21 ILE A 87 4.396 -5.053 6.452 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.986 -5.024 8.183 1.00 0.53 H new ATOM 0 HG23 ILE A 87 3.199 -3.887 7.064 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.270 -2.686 4.286 1.00 0.49 H new ATOM 0 HD12 ILE A 87 7.069 -3.769 5.450 1.00 0.49 H new ATOM 0 HD13 ILE A 87 5.440 -4.157 4.846 1.00 0.49 H new ATOM 1239 N PRO A 88 6.569 -2.536 10.467 1.00 0.73 N ATOM 1240 CA PRO A 88 7.769 -2.116 11.188 1.00 0.86 C ATOM 1241 C PRO A 88 9.043 -2.454 10.425 1.00 0.92 C ATOM 1242 O PRO A 88 9.059 -3.361 9.589 1.00 0.96 O ATOM 1243 CB PRO A 88 7.707 -2.924 12.492 1.00 1.05 C ATOM 1244 CG PRO A 88 6.332 -3.483 12.545 1.00 1.04 C ATOM 1245 CD PRO A 88 5.944 -3.688 11.120 1.00 0.85 C ATOM 0 HA PRO A 88 7.795 -1.037 11.339 1.00 0.86 H new ATOM 0 HB2 PRO A 88 8.454 -3.718 12.498 1.00 1.05 H new ATOM 0 HB3 PRO A 88 7.907 -2.291 13.356 1.00 1.05 H new ATOM 0 HG2 PRO A 88 6.308 -4.421 13.099 1.00 1.04 H new ATOM 0 HG3 PRO A 88 5.647 -2.799 13.046 1.00 1.04 H new ATOM 0 HD2 PRO A 88 6.319 -4.633 10.727 1.00 0.85 H new ATOM 0 HD3 PRO A 88 4.862 -3.695 10.988 1.00 0.85 H new ATOM 1253 N LEU A 89 10.111 -1.739 10.740 1.00 1.01 N ATOM 1254 CA LEU A 89 11.393 -1.921 10.070 1.00 1.13 C ATOM 1255 C LEU A 89 12.245 -2.947 10.804 1.00 1.31 C ATOM 1256 O LEU A 89 13.474 -2.921 10.724 1.00 1.45 O ATOM 1257 CB LEU A 89 12.148 -0.596 10.020 1.00 1.16 C ATOM 1258 CG LEU A 89 11.402 0.561 9.347 1.00 1.10 C ATOM 1259 CD1 LEU A 89 12.253 1.818 9.361 1.00 1.23 C ATOM 1260 CD2 LEU A 89 11.020 0.197 7.922 1.00 1.13 C ATOM 0 H LEU A 89 10.117 -1.019 11.463 1.00 1.01 H new ATOM 0 HA LEU A 89 11.198 -2.276 9.058 1.00 1.13 H new ATOM 0 HB2 LEU A 89 12.398 -0.301 11.039 1.00 1.16 H new ATOM 0 HB3 LEU A 89 13.090 -0.754 9.494 1.00 1.16 H new ATOM 0 HG LEU A 89 10.488 0.752 9.909 1.00 1.10 H new ATOM 0 HD11 LEU A 89 11.709 2.631 8.879 1.00 1.23 H new ATOM 0 HD12 LEU A 89 12.479 2.093 10.391 1.00 1.23 H new ATOM 0 HD13 LEU A 89 13.183 1.634 8.822 1.00 1.23 H new ATOM 0 HD21 LEU A 89 10.491 1.032 7.462 1.00 1.13 H new ATOM 0 HD22 LEU A 89 11.921 -0.022 7.349 1.00 1.13 H new ATOM 0 HD23 LEU A 89 10.374 -0.681 7.931 1.00 1.13 H new ATOM 1272 N ILE A 90 11.595 -3.837 11.527 1.00 1.37 N ATOM 1273 CA ILE A 90 12.299 -4.795 12.350 1.00 1.60 C ATOM 1274 C ILE A 90 11.899 -6.224 11.989 1.00 1.73 C ATOM 1275 O ILE A 90 10.763 -6.639 12.300 1.00 2.31 O ATOM 1276 CB ILE A 90 12.065 -4.511 13.850 1.00 1.67 C ATOM 1277 CG1 ILE A 90 10.568 -4.413 14.168 1.00 1.60 C ATOM 1278 CG2 ILE A 90 12.776 -3.219 14.240 1.00 1.68 C ATOM 1279 CD1 ILE A 90 10.262 -4.215 15.638 1.00 1.78 C ATOM 1280 OXT ILE A 90 12.723 -6.924 11.368 1.00 1.86 O ATOM 0 H ILE A 90 10.579 -3.915 11.560 1.00 1.37 H new ATOM 0 HA ILE A 90 13.366 -4.689 12.154 1.00 1.60 H new ATOM 0 HB ILE A 90 12.474 -5.339 14.429 1.00 1.67 H new ATOM 0 HG12 ILE A 90 10.141 -3.584 13.604 1.00 1.60 H new ATOM 0 HG13 ILE A 90 10.074 -5.321 13.824 1.00 1.60 H new ATOM 0 HG21 ILE A 90 12.611 -3.018 15.299 1.00 1.68 H new ATOM 0 HG22 ILE A 90 13.845 -3.321 14.052 1.00 1.68 H new ATOM 0 HG23 ILE A 90 12.381 -2.393 13.648 1.00 1.68 H new ATOM 0 HD11 ILE A 90 9.183 -4.155 15.780 1.00 1.78 H new ATOM 0 HD12 ILE A 90 10.657 -5.056 16.208 1.00 1.78 H new ATOM 0 HD13 ILE A 90 10.725 -3.291 15.985 1.00 1.78 H new TER 1292 ILE A 90