USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 719 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 90 HIS : no HE2:sc= 0.338 K(o=0.83,f=-0.11) USER MOD Set 1.2: A 100 TYR OH : rot -39:sc= 0.496 USER MOD Set 2.1: A 67 SER OG : rot 61:sc= 1 USER MOD Set 2.2: A 86 ASN :FLIP amide:sc= -4.06! C(o=-6.9!,f=-3.1!) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.968 K(o=0.095,f=-1.7!) USER MOD Set 3.2: A 21 THR OG1 : rot -69:sc= 0.557 USER MOD Set 3.3: A 31 THR OG1 : rot 180:sc= 0.505 USER MOD Set 4.1: A 30 ASN : amide:sc= 0.997 X(o=2,f=1.7) USER MOD Set 4.2: A 32 SER OG : rot 180:sc= 1 USER MOD Set 5.1: A 7 THR OG1 : rot -62:sc= 1.05 USER MOD Set 5.2: A 93 ASN : amide:sc= -2.47 K(o=-1.4,f=-4.2) USER MOD Single : A 1 LEU N :NH3+ -120:sc= -1.03 (180deg=-2.97!) USER MOD Single : A 3 LYS NZ :NH3+ -134:sc= -2.75! (180deg=-3.91!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.69 X(o=-1.7,f=-2.1) USER MOD Single : A 9 TYR OH : rot 1:sc= 1.12 USER MOD Single : A 11 SER OG : rot -160:sc= -1.34 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.89! C(o=-4!,f=-1.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -7:sc= 0.0546 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.33 F(o=-2.7!,f=-1.3) USER MOD Single : A 38 SER OG : rot -26:sc= 0.741 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0624) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.00923 X(o=-0.0092,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.13 F(o=-1.2,f=-0.13) USER MOD Single : A 61 THR OG1 : rot -85:sc= -2.68! USER MOD Single : A 62 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.9!) USER MOD Single : A 66 SER OG : rot 78:sc= 0.947 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 150:sc= 0.851 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 44:sc= 0.876 USER MOD Single : A 83 THR OG1 : rot -150:sc= -0.341 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -92:sc= 0.907 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -4.115 -1.982 -15.089 1.00 0.00 N ATOM 2 CA LEU A 1 -3.690 -2.586 -13.831 1.00 0.00 C ATOM 3 C LEU A 1 -3.554 -1.518 -12.749 1.00 0.00 C ATOM 4 O LEU A 1 -3.164 -0.383 -13.022 1.00 0.00 O ATOM 5 CB LEU A 1 -2.334 -3.307 -14.025 1.00 0.00 C ATOM 6 CG LEU A 1 -2.547 -4.762 -14.457 1.00 0.00 C ATOM 7 CD1 LEU A 1 -3.273 -4.799 -15.801 1.00 0.00 C ATOM 8 CD2 LEU A 1 -1.187 -5.450 -14.591 1.00 0.00 C ATOM 0 H1 LEU A 1 -5.022 -2.397 -15.384 1.00 0.00 H new ATOM 0 H2 LEU A 1 -4.229 -0.956 -14.961 1.00 0.00 H new ATOM 0 H3 LEU A 1 -3.398 -2.162 -15.820 1.00 0.00 H new ATOM 0 HA LEU A 1 -4.443 -3.310 -13.519 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -1.743 -2.783 -14.776 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -1.766 -3.279 -13.095 1.00 0.00 H new ATOM 0 HG LEU A 1 -3.149 -5.280 -13.710 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -3.423 -5.835 -16.105 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -4.240 -4.305 -15.706 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -2.675 -4.283 -16.552 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.332 -6.486 -14.898 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -0.588 -4.930 -15.339 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -0.670 -5.425 -13.631 1.00 0.00 H new ATOM 22 N GLY A 2 -3.861 -1.904 -11.517 1.00 0.00 N ATOM 23 CA GLY A 2 -3.753 -0.999 -10.390 1.00 0.00 C ATOM 24 C GLY A 2 -4.931 -0.061 -10.261 1.00 0.00 C ATOM 25 O GLY A 2 -6.085 -0.448 -10.448 1.00 0.00 O ATOM 0 H GLY A 2 -4.187 -2.840 -11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.659 -1.581 -9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.840 -0.412 -10.490 1.00 0.00 H new ATOM 29 N LYS A 3 -4.615 1.189 -9.969 1.00 0.00 N ATOM 30 CA LYS A 3 -5.624 2.229 -9.838 1.00 0.00 C ATOM 31 C LYS A 3 -6.850 1.736 -9.041 1.00 0.00 C ATOM 32 O LYS A 3 -7.990 1.846 -9.492 1.00 0.00 O ATOM 33 CB LYS A 3 -6.006 2.717 -11.268 1.00 0.00 C ATOM 34 CG LYS A 3 -5.330 4.070 -11.595 1.00 0.00 C ATOM 35 CD LYS A 3 -3.787 3.922 -11.663 1.00 0.00 C ATOM 36 CE LYS A 3 -3.323 3.480 -13.063 1.00 0.00 C ATOM 37 NZ LYS A 3 -3.573 2.023 -13.235 1.00 0.00 N ATOM 0 H LYS A 3 -3.659 1.511 -9.817 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.222 3.066 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.705 1.970 -12.003 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.088 2.820 -11.343 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.705 4.446 -12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.595 4.805 -10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.318 4.872 -11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.457 3.193 -10.923 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.856 4.044 -13.829 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.262 3.695 -13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.731 1.573 -13.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.777 1.594 -12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.386 1.883 -13.868 1.00 0.00 H new ATOM 51 N PHE A 4 -6.612 1.223 -7.832 1.00 0.00 N ATOM 52 CA PHE A 4 -7.715 0.761 -6.986 1.00 0.00 C ATOM 53 C PHE A 4 -8.469 1.969 -6.429 1.00 0.00 C ATOM 54 O PHE A 4 -9.689 1.940 -6.275 1.00 0.00 O ATOM 55 CB PHE A 4 -7.200 -0.130 -5.833 1.00 0.00 C ATOM 56 CG PHE A 4 -6.562 0.707 -4.743 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.331 1.340 -4.985 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.195 0.854 -3.485 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.730 2.117 -3.984 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.589 1.635 -2.477 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.353 2.268 -2.727 1.00 0.00 C ATOM 0 H PHE A 4 -5.684 1.118 -7.422 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.391 0.158 -7.593 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.026 -0.706 -5.417 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.474 -0.846 -6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.847 1.228 -5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.141 0.369 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.785 2.603 -4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.070 1.748 -1.517 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.885 2.866 -1.959 1.00 0.00 H new ATOM 71 N SER A 5 -7.718 3.029 -6.136 1.00 0.00 N ATOM 72 CA SER A 5 -8.296 4.256 -5.599 1.00 0.00 C ATOM 73 C SER A 5 -9.384 4.800 -6.521 1.00 0.00 C ATOM 74 O SER A 5 -10.276 5.524 -6.081 1.00 0.00 O ATOM 75 CB SER A 5 -7.194 5.300 -5.410 1.00 0.00 C ATOM 76 OG SER A 5 -7.604 6.241 -4.427 1.00 0.00 O ATOM 0 H SER A 5 -6.706 3.061 -6.262 1.00 0.00 H new ATOM 0 HA SER A 5 -8.754 4.032 -4.636 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.267 4.816 -5.103 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.991 5.807 -6.353 1.00 0.00 H new ATOM 0 HG SER A 5 -6.900 6.911 -4.302 1.00 0.00 H new ATOM 82 N GLN A 6 -9.306 4.449 -7.800 1.00 0.00 N ATOM 83 CA GLN A 6 -10.293 4.917 -8.765 1.00 0.00 C ATOM 84 C GLN A 6 -11.681 4.403 -8.410 1.00 0.00 C ATOM 85 O GLN A 6 -12.684 5.053 -8.703 1.00 0.00 O ATOM 86 CB GLN A 6 -9.923 4.449 -10.176 1.00 0.00 C ATOM 87 CG GLN A 6 -8.629 5.133 -10.627 1.00 0.00 C ATOM 88 CD GLN A 6 -8.423 4.912 -12.128 1.00 0.00 C ATOM 89 OE1 GLN A 6 -8.886 3.931 -12.678 1.00 0.00 O ATOM 90 NE2 GLN A 6 -7.741 5.785 -12.815 1.00 0.00 N ATOM 0 H GLN A 6 -8.579 3.849 -8.189 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.301 6.007 -8.736 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.796 3.366 -10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.730 4.683 -10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.676 6.200 -10.410 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.782 4.732 -10.071 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.353 6.607 -12.353 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.595 5.646 -13.815 1.00 0.00 H new ATOM 99 N THR A 7 -11.736 3.226 -7.782 1.00 0.00 N ATOM 100 CA THR A 7 -13.014 2.620 -7.392 1.00 0.00 C ATOM 101 C THR A 7 -12.976 2.181 -5.931 1.00 0.00 C ATOM 102 O THR A 7 -13.736 1.305 -5.517 1.00 0.00 O ATOM 103 CB THR A 7 -13.326 1.398 -8.277 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.397 0.657 -7.710 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.087 0.515 -8.375 1.00 0.00 C ATOM 0 H THR A 7 -10.915 2.675 -7.533 1.00 0.00 H new ATOM 0 HA THR A 7 -13.793 3.371 -7.524 1.00 0.00 H new ATOM 0 HB THR A 7 -13.612 1.735 -9.273 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.133 0.325 -6.827 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.305 -0.350 -9.001 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.269 1.084 -8.816 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.800 0.179 -7.379 1.00 0.00 H new ATOM 113 N CYS A 8 -12.099 2.813 -5.143 1.00 0.00 N ATOM 114 CA CYS A 8 -11.980 2.502 -3.713 1.00 0.00 C ATOM 115 C CYS A 8 -12.034 3.783 -2.889 1.00 0.00 C ATOM 116 O CYS A 8 -11.524 4.823 -3.304 1.00 0.00 O ATOM 117 CB CYS A 8 -10.683 1.734 -3.426 1.00 0.00 C ATOM 118 SG CYS A 8 -10.848 0.034 -4.023 1.00 0.00 S ATOM 0 H CYS A 8 -11.463 3.541 -5.469 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.819 1.867 -3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.841 2.223 -3.916 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.475 1.737 -2.356 1.00 0.00 H new ATOM 123 N TYR A 9 -12.679 3.700 -1.724 1.00 0.00 N ATOM 124 CA TYR A 9 -12.828 4.857 -0.838 1.00 0.00 C ATOM 125 C TYR A 9 -12.717 4.436 0.625 1.00 0.00 C ATOM 126 O TYR A 9 -12.770 3.248 0.943 1.00 0.00 O ATOM 127 CB TYR A 9 -14.189 5.514 -1.080 1.00 0.00 C ATOM 128 CG TYR A 9 -15.297 4.523 -0.793 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.735 3.638 -1.802 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.897 4.486 0.484 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.771 2.716 -1.533 1.00 0.00 C ATOM 132 CE2 TYR A 9 -16.933 3.565 0.754 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.370 2.680 -0.254 1.00 0.00 C ATOM 134 OH TYR A 9 -18.420 1.819 -0.007 1.00 0.00 O ATOM 0 H TYR A 9 -13.107 2.844 -1.372 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.030 5.567 -1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.298 6.390 -0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.257 5.861 -2.111 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.278 3.666 -2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.563 5.163 1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.105 2.039 -2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.391 3.538 1.732 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.613 1.298 -0.814 1.00 0.00 H new ATOM 144 N ASN A 10 -12.535 5.424 1.504 1.00 0.00 N ATOM 145 CA ASN A 10 -12.389 5.165 2.935 1.00 0.00 C ATOM 146 C ASN A 10 -11.174 4.284 3.182 1.00 0.00 C ATOM 147 O ASN A 10 -11.230 3.324 3.951 1.00 0.00 O ATOM 148 CB ASN A 10 -13.650 4.498 3.502 1.00 0.00 C ATOM 149 CG ASN A 10 -13.480 4.269 5.005 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.628 4.867 5.631 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.264 3.423 5.615 1.00 0.00 N ATOM 0 H ASN A 10 -12.485 6.410 1.248 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.249 6.118 3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.521 5.127 3.316 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.829 3.549 2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.161 3.264 6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.980 2.921 5.090 1.00 0.00 H new ATOM 158 N SER A 11 -10.070 4.623 2.514 1.00 0.00 N ATOM 159 CA SER A 11 -8.830 3.865 2.651 1.00 0.00 C ATOM 160 C SER A 11 -8.056 4.309 3.885 1.00 0.00 C ATOM 161 O SER A 11 -8.181 5.448 4.334 1.00 0.00 O ATOM 162 CB SER A 11 -7.964 4.049 1.404 1.00 0.00 C ATOM 163 OG SER A 11 -7.671 5.427 1.234 1.00 0.00 O ATOM 0 H SER A 11 -10.011 5.416 1.875 1.00 0.00 H new ATOM 0 HA SER A 11 -9.085 2.811 2.763 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.040 3.479 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.484 3.665 0.526 1.00 0.00 H new ATOM 0 HG SER A 11 -7.404 5.593 0.306 1.00 0.00 H new ATOM 169 N ALA A 12 -7.255 3.396 4.429 1.00 0.00 N ATOM 170 CA ALA A 12 -6.459 3.692 5.616 1.00 0.00 C ATOM 171 C ALA A 12 -5.285 2.728 5.720 1.00 0.00 C ATOM 172 O ALA A 12 -5.371 1.578 5.289 1.00 0.00 O ATOM 173 CB ALA A 12 -7.325 3.583 6.860 1.00 0.00 C ATOM 0 H ALA A 12 -7.140 2.449 4.068 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.074 4.708 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.724 3.805 7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.149 4.294 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.724 2.572 6.938 1.00 0.00 H new ATOM 179 N ILE A 13 -4.186 3.208 6.299 1.00 0.00 N ATOM 180 CA ILE A 13 -2.981 2.390 6.470 1.00 0.00 C ATOM 181 C ILE A 13 -2.429 2.568 7.879 1.00 0.00 C ATOM 182 O ILE A 13 -2.390 3.680 8.405 1.00 0.00 O ATOM 183 CB ILE A 13 -1.900 2.773 5.426 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.368 2.301 4.034 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.563 2.092 5.779 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.570 2.985 2.904 1.00 0.00 C ATOM 0 H ILE A 13 -4.102 4.159 6.659 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.250 1.345 6.317 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.756 3.853 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.253 1.220 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.429 2.518 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.191 2.366 5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.239 2.418 6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.695 1.010 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.928 2.628 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.706 4.065 2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.512 2.746 3.010 1.00 0.00 H new ATOM 198 N GLN A 14 -2.006 1.459 8.490 1.00 0.00 N ATOM 199 CA GLN A 14 -1.466 1.501 9.848 1.00 0.00 C ATOM 200 C GLN A 14 -0.489 0.345 10.085 1.00 0.00 C ATOM 201 O GLN A 14 -0.889 -0.771 10.417 1.00 0.00 O ATOM 202 CB GLN A 14 -2.625 1.438 10.867 1.00 0.00 C ATOM 203 CG GLN A 14 -2.244 2.152 12.175 1.00 0.00 C ATOM 204 CD GLN A 14 -0.880 1.659 12.666 1.00 0.00 C ATOM 205 OE1 GLN A 14 0.207 2.196 12.182 1.00 0.00 O flip ATOM 206 NE2 GLN A 14 -0.803 0.779 13.500 1.00 0.00 N flip ATOM 0 H GLN A 14 -2.027 0.530 8.070 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.920 2.435 9.978 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.515 1.901 10.441 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.876 0.398 11.075 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.214 3.230 12.015 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.002 1.964 12.935 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.652 0.359 13.878 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.111 0.460 13.822 1.00 0.00 H new ATOM 215 N GLY A 15 0.793 0.637 9.903 1.00 0.00 N ATOM 216 CA GLY A 15 1.848 -0.354 10.091 1.00 0.00 C ATOM 217 C GLY A 15 2.206 -1.061 8.799 1.00 0.00 C ATOM 218 O GLY A 15 3.228 -0.773 8.193 1.00 0.00 O ATOM 0 H GLY A 15 1.130 1.558 9.623 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.735 0.134 10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.526 -1.089 10.829 1.00 0.00 H new ATOM 222 N SER A 16 1.364 -1.994 8.373 1.00 0.00 N ATOM 223 CA SER A 16 1.619 -2.734 7.137 1.00 0.00 C ATOM 224 C SER A 16 0.338 -3.358 6.627 1.00 0.00 C ATOM 225 O SER A 16 0.336 -4.472 6.105 1.00 0.00 O ATOM 226 CB SER A 16 2.647 -3.827 7.382 1.00 0.00 C ATOM 227 OG SER A 16 2.222 -4.642 8.465 1.00 0.00 O ATOM 0 H SER A 16 0.506 -2.257 8.857 1.00 0.00 H new ATOM 0 HA SER A 16 2.003 -2.037 6.392 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.771 -4.432 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.618 -3.385 7.605 1.00 0.00 H new ATOM 0 HG SER A 16 2.883 -5.348 8.622 1.00 0.00 H new ATOM 233 N VAL A 17 -0.751 -2.627 6.795 1.00 0.00 N ATOM 234 CA VAL A 17 -2.062 -3.098 6.364 1.00 0.00 C ATOM 235 C VAL A 17 -2.858 -1.972 5.733 1.00 0.00 C ATOM 236 O VAL A 17 -3.157 -0.975 6.381 1.00 0.00 O ATOM 237 CB VAL A 17 -2.855 -3.664 7.561 1.00 0.00 C ATOM 238 CG1 VAL A 17 -4.053 -4.473 7.055 1.00 0.00 C ATOM 239 CG2 VAL A 17 -1.942 -4.572 8.387 1.00 0.00 C ATOM 0 H VAL A 17 -0.756 -1.703 7.227 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.905 -3.885 5.626 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.213 -2.840 8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.609 -4.870 7.904 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.704 -3.828 6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.700 -5.297 6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.498 -4.974 9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.585 -5.393 7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.091 -3.997 8.752 1.00 0.00 H new ATOM 249 N LEU A 18 -3.249 -2.172 4.478 1.00 0.00 N ATOM 250 CA LEU A 18 -4.074 -1.206 3.759 1.00 0.00 C ATOM 251 C LEU A 18 -5.496 -1.721 3.850 1.00 0.00 C ATOM 252 O LEU A 18 -5.755 -2.847 3.446 1.00 0.00 O ATOM 253 CB LEU A 18 -3.616 -1.126 2.282 1.00 0.00 C ATOM 254 CG LEU A 18 -4.033 0.206 1.619 1.00 0.00 C ATOM 255 CD1 LEU A 18 -3.830 0.102 0.104 1.00 0.00 C ATOM 256 CD2 LEU A 18 -5.507 0.526 1.900 1.00 0.00 C ATOM 0 H LEU A 18 -3.006 -3.000 3.935 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.992 -0.205 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.532 -1.232 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.044 -1.959 1.724 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.416 1.003 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.123 1.040 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.780 -0.099 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.442 -0.709 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.772 1.469 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.135 -0.272 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.663 0.609 2.976 1.00 0.00 H new ATOM 268 N THR A 19 -6.421 -0.911 4.351 1.00 0.00 N ATOM 269 CA THR A 19 -7.821 -1.313 4.459 1.00 0.00 C ATOM 270 C THR A 19 -8.644 -0.256 3.759 1.00 0.00 C ATOM 271 O THR A 19 -8.433 0.933 3.985 1.00 0.00 O ATOM 272 CB THR A 19 -8.259 -1.388 5.936 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.434 -2.314 6.628 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.718 -1.840 6.019 1.00 0.00 C ATOM 0 H THR A 19 -6.227 0.031 4.690 1.00 0.00 H new ATOM 0 HA THR A 19 -7.959 -2.297 4.012 1.00 0.00 H new ATOM 0 HB THR A 19 -8.162 -0.403 6.392 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.711 -2.361 7.567 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.024 -1.892 7.064 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.351 -1.127 5.491 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.821 -2.824 5.562 1.00 0.00 H new ATOM 282 N SER A 20 -9.565 -0.667 2.896 1.00 0.00 N ATOM 283 CA SER A 20 -10.371 0.304 2.169 1.00 0.00 C ATOM 284 C SER A 20 -11.653 -0.313 1.645 1.00 0.00 C ATOM 285 O SER A 20 -11.658 -1.432 1.133 1.00 0.00 O ATOM 286 CB SER A 20 -9.565 0.855 0.987 1.00 0.00 C ATOM 287 OG SER A 20 -10.192 2.034 0.501 1.00 0.00 O ATOM 0 H SER A 20 -9.769 -1.644 2.686 1.00 0.00 H new ATOM 0 HA SER A 20 -10.633 1.104 2.861 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.544 1.074 1.299 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.503 0.109 0.195 1.00 0.00 H new ATOM 0 HG SER A 20 -11.050 2.160 0.958 1.00 0.00 H new ATOM 293 N THR A 21 -12.734 0.452 1.745 1.00 0.00 N ATOM 294 CA THR A 21 -14.024 0.011 1.246 1.00 0.00 C ATOM 295 C THR A 21 -14.061 0.249 -0.250 1.00 0.00 C ATOM 296 O THR A 21 -13.825 1.365 -0.710 1.00 0.00 O ATOM 297 CB THR A 21 -15.169 0.780 1.922 1.00 0.00 C ATOM 298 OG1 THR A 21 -15.003 0.711 3.332 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.507 0.149 1.534 1.00 0.00 C ATOM 0 H THR A 21 -12.739 1.380 2.168 1.00 0.00 H new ATOM 0 HA THR A 21 -14.155 -1.048 1.470 1.00 0.00 H new ATOM 0 HB THR A 21 -15.155 1.821 1.599 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.170 -0.205 3.637 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.319 0.695 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.630 0.193 0.452 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.527 -0.891 1.859 1.00 0.00 H new ATOM 307 N CYS A 22 -14.345 -0.807 -1.013 1.00 0.00 N ATOM 308 CA CYS A 22 -14.390 -0.709 -2.472 1.00 0.00 C ATOM 309 C CYS A 22 -15.727 -1.179 -3.011 1.00 0.00 C ATOM 310 O CYS A 22 -16.400 -2.018 -2.414 1.00 0.00 O ATOM 311 CB CYS A 22 -13.260 -1.545 -3.077 1.00 0.00 C ATOM 312 SG CYS A 22 -11.663 -0.953 -2.460 1.00 0.00 S ATOM 0 H CYS A 22 -14.547 -1.737 -0.646 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.262 0.337 -2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.394 -2.595 -2.819 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.288 -1.478 -4.165 1.00 0.00 H new ATOM 317 N GLU A 23 -16.104 -0.611 -4.147 1.00 0.00 N ATOM 318 CA GLU A 23 -17.365 -0.942 -4.789 1.00 0.00 C ATOM 319 C GLU A 23 -17.285 -2.322 -5.435 1.00 0.00 C ATOM 320 O GLU A 23 -16.469 -2.550 -6.328 1.00 0.00 O ATOM 321 CB GLU A 23 -17.688 0.110 -5.860 1.00 0.00 C ATOM 322 CG GLU A 23 -17.574 1.525 -5.266 1.00 0.00 C ATOM 323 CD GLU A 23 -17.563 2.561 -6.391 1.00 0.00 C ATOM 324 OE1 GLU A 23 -16.539 2.685 -7.042 1.00 0.00 O ATOM 325 OE2 GLU A 23 -18.575 3.217 -6.578 1.00 0.00 O ATOM 0 H GLU A 23 -15.550 0.086 -4.645 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.153 -0.951 -4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.003 0.005 -6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.695 -0.050 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.410 1.715 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.663 1.608 -4.674 1.00 0.00 H new ATOM 332 N ARG A 24 -18.146 -3.237 -4.994 1.00 0.00 N ATOM 333 CA ARG A 24 -18.158 -4.582 -5.563 1.00 0.00 C ATOM 334 C ARG A 24 -18.631 -4.525 -7.004 1.00 0.00 C ATOM 335 O ARG A 24 -19.296 -3.573 -7.409 1.00 0.00 O ATOM 336 CB ARG A 24 -19.079 -5.521 -4.770 1.00 0.00 C ATOM 337 CG ARG A 24 -18.613 -5.642 -3.299 1.00 0.00 C ATOM 338 CD ARG A 24 -19.122 -6.961 -2.663 1.00 0.00 C ATOM 339 NE ARG A 24 -18.007 -7.952 -2.651 1.00 0.00 N ATOM 340 CZ ARG A 24 -18.170 -9.118 -2.086 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.327 -9.440 -1.577 1.00 0.00 N ATOM 342 NH2 ARG A 24 -17.174 -9.960 -2.029 1.00 0.00 N ATOM 0 H ARG A 24 -18.833 -3.076 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.142 -4.973 -5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.102 -5.145 -4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.087 -6.507 -5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.524 -5.609 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.982 -4.791 -2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.475 -6.779 -1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -19.967 -7.351 -3.230 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.114 -7.718 -3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.104 -8.781 -1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.454 -10.351 -1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.269 -9.707 -2.426 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.301 -10.871 -1.588 1.00 0.00 H new ATOM 356 N THR A 25 -18.291 -5.552 -7.779 1.00 0.00 N ATOM 357 CA THR A 25 -18.695 -5.617 -9.181 1.00 0.00 C ATOM 358 C THR A 25 -19.996 -6.400 -9.306 1.00 0.00 C ATOM 359 O THR A 25 -20.800 -6.153 -10.204 1.00 0.00 O ATOM 360 CB THR A 25 -17.612 -6.316 -10.024 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.373 -5.644 -9.847 1.00 0.00 O ATOM 362 CG2 THR A 25 -18.005 -6.279 -11.501 1.00 0.00 C ATOM 0 H THR A 25 -17.738 -6.348 -7.461 1.00 0.00 H new ATOM 0 HA THR A 25 -18.834 -4.599 -9.545 1.00 0.00 H new ATOM 0 HB THR A 25 -17.516 -7.353 -9.703 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.681 -6.087 -10.381 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.237 -6.774 -12.094 1.00 0.00 H new ATOM 0 HG22 THR A 25 -18.956 -6.793 -11.637 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.103 -5.243 -11.826 1.00 0.00 H new ATOM 370 N ASN A 26 -20.197 -7.349 -8.389 1.00 0.00 N ATOM 371 CA ASN A 26 -21.405 -8.179 -8.380 1.00 0.00 C ATOM 372 C ASN A 26 -22.334 -7.729 -7.252 1.00 0.00 C ATOM 373 O ASN A 26 -23.497 -7.402 -7.480 1.00 0.00 O ATOM 374 CB ASN A 26 -21.008 -9.653 -8.188 1.00 0.00 C ATOM 375 CG ASN A 26 -22.149 -10.573 -8.637 1.00 0.00 C ATOM 376 OD1 ASN A 26 -22.395 -10.722 -9.818 1.00 0.00 O ATOM 377 ND2 ASN A 26 -22.857 -11.201 -7.738 1.00 0.00 N ATOM 0 H ASN A 26 -19.537 -7.563 -7.641 1.00 0.00 H new ATOM 0 HA ASN A 26 -21.931 -8.071 -9.329 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.108 -9.872 -8.762 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -20.772 -9.840 -7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -23.617 -11.817 -8.026 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -22.650 -11.076 -6.747 1.00 0.00 H new ATOM 384 N GLY A 27 -21.811 -7.735 -6.030 1.00 0.00 N ATOM 385 CA GLY A 27 -22.593 -7.341 -4.866 1.00 0.00 C ATOM 386 C GLY A 27 -22.661 -5.831 -4.679 1.00 0.00 C ATOM 387 O GLY A 27 -22.819 -5.076 -5.636 1.00 0.00 O ATOM 0 H GLY A 27 -20.851 -8.008 -5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.604 -7.735 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.160 -7.793 -3.974 1.00 0.00 H new ATOM 391 N GLY A 28 -22.566 -5.413 -3.416 1.00 0.00 N ATOM 392 CA GLY A 28 -22.631 -3.995 -3.047 1.00 0.00 C ATOM 393 C GLY A 28 -21.270 -3.434 -2.692 1.00 0.00 C ATOM 394 O GLY A 28 -20.458 -3.146 -3.570 1.00 0.00 O ATOM 0 H GLY A 28 -22.443 -6.042 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.053 -3.425 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.305 -3.872 -2.199 1.00 0.00 H new ATOM 398 N TYR A 29 -21.028 -3.253 -1.392 1.00 0.00 N ATOM 399 CA TYR A 29 -19.757 -2.711 -0.903 1.00 0.00 C ATOM 400 C TYR A 29 -18.991 -3.791 -0.141 1.00 0.00 C ATOM 401 O TYR A 29 -19.588 -4.605 0.563 1.00 0.00 O ATOM 402 CB TYR A 29 -20.025 -1.533 0.036 1.00 0.00 C ATOM 403 CG TYR A 29 -20.757 -0.437 -0.711 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.104 0.259 -1.749 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.089 -0.102 -0.368 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.779 1.286 -2.444 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.761 0.926 -1.065 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.104 1.620 -2.103 1.00 0.00 C ATOM 409 OH TYR A 29 -22.709 2.710 -2.694 1.00 0.00 O ATOM 0 H TYR A 29 -21.698 -3.475 -0.656 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.165 -2.375 -1.755 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.618 -1.863 0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.084 -1.150 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.088 0.006 -2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.591 -0.633 0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.278 1.817 -3.240 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.777 1.181 -0.804 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.622 2.803 -2.351 1.00 0.00 H new ATOM 419 N ASN A 30 -17.665 -3.792 -0.282 1.00 0.00 N ATOM 420 CA ASN A 30 -16.816 -4.778 0.399 1.00 0.00 C ATOM 421 C ASN A 30 -15.574 -4.099 0.967 1.00 0.00 C ATOM 422 O ASN A 30 -14.873 -3.374 0.260 1.00 0.00 O ATOM 423 CB ASN A 30 -16.401 -5.875 -0.589 1.00 0.00 C ATOM 424 CG ASN A 30 -15.374 -6.810 0.057 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.722 -7.857 0.567 1.00 0.00 O ATOM 426 ND2 ASN A 30 -14.115 -6.472 0.054 1.00 0.00 N ATOM 0 H ASN A 30 -17.154 -3.124 -0.859 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.380 -5.225 1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.277 -6.445 -0.900 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.979 -5.424 -1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.421 -7.086 0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.824 -5.593 -0.374 1.00 0.00 H new ATOM 433 N THR A 31 -15.308 -4.345 2.253 1.00 0.00 N ATOM 434 CA THR A 31 -14.145 -3.762 2.929 1.00 0.00 C ATOM 435 C THR A 31 -13.130 -4.835 3.274 1.00 0.00 C ATOM 436 O THR A 31 -13.222 -5.492 4.310 1.00 0.00 O ATOM 437 CB THR A 31 -14.563 -3.040 4.224 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.610 -2.124 3.934 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.364 -2.282 4.796 1.00 0.00 C ATOM 0 H THR A 31 -15.882 -4.944 2.847 1.00 0.00 H new ATOM 0 HA THR A 31 -13.698 -3.043 2.243 1.00 0.00 H new ATOM 0 HB THR A 31 -14.910 -3.771 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.879 -1.664 4.756 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.660 -1.771 5.712 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.560 -2.985 5.016 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.016 -1.549 4.068 1.00 0.00 H new ATOM 447 N SER A 32 -12.148 -4.995 2.390 1.00 0.00 N ATOM 448 CA SER A 32 -11.082 -5.976 2.581 1.00 0.00 C ATOM 449 C SER A 32 -9.787 -5.255 2.923 1.00 0.00 C ATOM 450 O SER A 32 -9.753 -4.028 3.016 1.00 0.00 O ATOM 451 CB SER A 32 -10.892 -6.793 1.298 1.00 0.00 C ATOM 452 OG SER A 32 -11.942 -7.743 1.192 1.00 0.00 O ATOM 0 H SER A 32 -12.068 -4.454 1.529 1.00 0.00 H new ATOM 0 HA SER A 32 -11.352 -6.648 3.396 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.892 -6.134 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.927 -7.299 1.314 1.00 0.00 H new ATOM 0 HG SER A 32 -11.827 -8.268 0.372 1.00 0.00 H new ATOM 458 N SER A 33 -8.719 -6.024 3.100 1.00 0.00 N ATOM 459 CA SER A 33 -7.416 -5.452 3.423 1.00 0.00 C ATOM 460 C SER A 33 -6.310 -6.242 2.742 1.00 0.00 C ATOM 461 O SER A 33 -6.479 -7.419 2.425 1.00 0.00 O ATOM 462 CB SER A 33 -7.196 -5.461 4.936 1.00 0.00 C ATOM 463 OG SER A 33 -7.294 -6.795 5.417 1.00 0.00 O ATOM 0 H SER A 33 -8.728 -7.041 3.026 1.00 0.00 H new ATOM 0 HA SER A 33 -7.392 -4.423 3.064 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.216 -5.047 5.175 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.937 -4.830 5.427 1.00 0.00 H new ATOM 0 HG SER A 33 -7.152 -6.804 6.387 1.00 0.00 H new ATOM 469 N ILE A 34 -5.175 -5.585 2.516 1.00 0.00 N ATOM 470 CA ILE A 34 -4.034 -6.230 1.866 1.00 0.00 C ATOM 471 C ILE A 34 -2.734 -5.718 2.471 1.00 0.00 C ATOM 472 O ILE A 34 -2.452 -4.520 2.456 1.00 0.00 O ATOM 473 CB ILE A 34 -4.050 -5.962 0.338 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.844 -6.630 -0.351 1.00 0.00 C ATOM 475 CG2 ILE A 34 -4.018 -4.456 0.064 1.00 0.00 C ATOM 476 CD1 ILE A 34 -2.896 -8.159 -0.169 1.00 0.00 C ATOM 0 H ILE A 34 -5.020 -4.610 2.772 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.106 -7.305 2.028 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.968 -6.388 -0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.843 -6.384 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.916 -6.240 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.030 -4.282 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.890 -3.985 0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.111 -4.028 0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.037 -8.614 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.874 -8.400 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.814 -8.547 -0.610 1.00 0.00 H new ATOM 488 N ASP A 35 -1.946 -6.636 3.014 1.00 0.00 N ATOM 489 CA ASP A 35 -0.681 -6.264 3.622 1.00 0.00 C ATOM 490 C ASP A 35 0.294 -5.813 2.548 1.00 0.00 C ATOM 491 O ASP A 35 0.661 -6.584 1.661 1.00 0.00 O ATOM 492 CB ASP A 35 -0.095 -7.439 4.413 1.00 0.00 C ATOM 493 CG ASP A 35 -0.132 -8.710 3.565 1.00 0.00 C ATOM 494 OD1 ASP A 35 -1.211 -9.077 3.131 1.00 0.00 O ATOM 495 OD2 ASP A 35 0.918 -9.297 3.369 1.00 0.00 O ATOM 0 H ASP A 35 -2.159 -7.633 3.045 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.855 -5.440 4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.931 -7.216 4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.662 -7.588 5.332 1.00 0.00 H new ATOM 500 N LEU A 36 0.720 -4.563 2.642 1.00 0.00 N ATOM 501 CA LEU A 36 1.663 -4.018 1.683 1.00 0.00 C ATOM 502 C LEU A 36 3.027 -4.641 1.910 1.00 0.00 C ATOM 503 O LEU A 36 3.974 -4.375 1.173 1.00 0.00 O ATOM 504 CB LEU A 36 1.772 -2.502 1.871 1.00 0.00 C ATOM 505 CG LEU A 36 0.423 -1.816 1.586 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.432 -0.406 2.189 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.182 -1.711 0.068 1.00 0.00 C ATOM 0 H LEU A 36 0.428 -3.911 3.370 1.00 0.00 H new ATOM 0 HA LEU A 36 1.316 -4.238 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.090 -2.280 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.536 -2.103 1.204 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.373 -2.411 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.522 0.082 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.587 -0.472 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.238 0.176 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.776 -1.224 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.980 -1.125 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.171 -2.710 -0.369 1.00 0.00 H new ATOM 519 N ASN A 37 3.117 -5.474 2.943 1.00 0.00 N ATOM 520 CA ASN A 37 4.373 -6.126 3.278 1.00 0.00 C ATOM 521 C ASN A 37 4.677 -7.283 2.347 1.00 0.00 C ATOM 522 O ASN A 37 5.814 -7.745 2.302 1.00 0.00 O ATOM 523 CB ASN A 37 4.352 -6.628 4.726 1.00 0.00 C ATOM 524 CG ASN A 37 5.637 -7.414 5.021 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.740 -6.769 5.279 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.635 -8.628 5.006 1.00 0.00 N flip ATOM 0 H ASN A 37 2.338 -5.711 3.558 1.00 0.00 H new ATOM 0 HA ASN A 37 5.159 -5.380 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.264 -5.785 5.412 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.481 -7.263 4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.773 -9.134 4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.496 -9.142 5.195 1.00 0.00 H new ATOM 533 N SER A 38 3.689 -7.783 1.612 1.00 0.00 N ATOM 534 CA SER A 38 3.927 -8.908 0.716 1.00 0.00 C ATOM 535 C SER A 38 4.277 -8.423 -0.685 1.00 0.00 C ATOM 536 O SER A 38 4.494 -9.230 -1.588 1.00 0.00 O ATOM 537 CB SER A 38 2.660 -9.760 0.653 1.00 0.00 C ATOM 538 OG SER A 38 2.900 -10.904 -0.151 1.00 0.00 O ATOM 0 H SER A 38 2.731 -7.434 1.618 1.00 0.00 H new ATOM 0 HA SER A 38 4.765 -9.493 1.096 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.362 -10.063 1.657 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.837 -9.177 0.239 1.00 0.00 H new ATOM 0 HG SER A 38 3.608 -10.706 -0.799 1.00 0.00 H new ATOM 544 N VAL A 39 4.314 -7.100 -0.880 1.00 0.00 N ATOM 545 CA VAL A 39 4.622 -6.541 -2.201 1.00 0.00 C ATOM 546 C VAL A 39 5.484 -5.280 -2.103 1.00 0.00 C ATOM 547 O VAL A 39 5.570 -4.520 -3.063 1.00 0.00 O ATOM 548 CB VAL A 39 3.321 -6.204 -2.968 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.631 -7.499 -3.403 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.368 -5.417 -2.064 1.00 0.00 C ATOM 0 H VAL A 39 4.138 -6.406 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 39 5.184 -7.303 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 39 3.574 -5.604 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.715 -7.260 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.298 -8.066 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.388 -8.095 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.455 -5.184 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.122 -6.015 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.848 -4.491 -1.748 1.00 0.00 H new ATOM 560 N ILE A 40 6.141 -5.061 -0.956 1.00 0.00 N ATOM 561 CA ILE A 40 7.013 -3.884 -0.781 1.00 0.00 C ATOM 562 C ILE A 40 8.293 -4.290 -0.043 1.00 0.00 C ATOM 563 O ILE A 40 8.245 -5.064 0.905 1.00 0.00 O ATOM 564 CB ILE A 40 6.313 -2.771 0.040 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.061 -2.240 -0.694 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.289 -1.622 0.320 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.412 -1.274 -1.837 1.00 0.00 C ATOM 0 H ILE A 40 6.089 -5.674 -0.142 1.00 0.00 H new ATOM 0 HA ILE A 40 7.244 -3.500 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 40 5.992 -3.203 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.495 -3.081 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.414 -1.732 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.784 -0.848 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.141 -1.998 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.637 -1.202 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.496 -0.932 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.953 -0.417 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.036 -1.787 -2.568 1.00 0.00 H new ATOM 579 N ALA A 41 9.437 -3.748 -0.482 1.00 0.00 N ATOM 580 CA ALA A 41 10.742 -4.048 0.142 1.00 0.00 C ATOM 581 C ALA A 41 11.439 -2.752 0.577 1.00 0.00 C ATOM 582 O ALA A 41 11.342 -1.729 -0.101 1.00 0.00 O ATOM 583 CB ALA A 41 11.625 -4.805 -0.858 1.00 0.00 C ATOM 0 H ALA A 41 9.490 -3.099 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 41 10.578 -4.666 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.588 -5.027 -0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.136 -5.737 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.779 -4.191 -1.745 1.00 0.00 H new ATOM 589 N ALA A 42 12.162 -2.812 1.703 1.00 0.00 N ATOM 590 CA ALA A 42 12.902 -1.645 2.209 1.00 0.00 C ATOM 591 C ALA A 42 14.363 -1.744 1.797 1.00 0.00 C ATOM 592 O ALA A 42 15.088 -2.612 2.283 1.00 0.00 O ATOM 593 CB ALA A 42 12.835 -1.576 3.732 1.00 0.00 C ATOM 0 H ALA A 42 12.251 -3.649 2.279 1.00 0.00 H new ATOM 0 HA ALA A 42 12.446 -0.749 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.389 -0.705 4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.795 -1.494 4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.273 -2.479 4.157 1.00 0.00 H new ATOM 599 N VAL A 43 14.793 -0.861 0.896 1.00 0.00 N ATOM 600 CA VAL A 43 16.182 -0.863 0.422 1.00 0.00 C ATOM 601 C VAL A 43 16.806 0.524 0.562 1.00 0.00 C ATOM 602 O VAL A 43 16.447 1.459 -0.148 1.00 0.00 O ATOM 603 CB VAL A 43 16.254 -1.329 -1.052 1.00 0.00 C ATOM 604 CG1 VAL A 43 15.355 -0.461 -1.947 1.00 0.00 C ATOM 605 CG2 VAL A 43 17.705 -1.267 -1.546 1.00 0.00 C ATOM 0 H VAL A 43 14.206 -0.138 0.480 1.00 0.00 H new ATOM 0 HA VAL A 43 16.746 -1.562 1.040 1.00 0.00 H new ATOM 0 HB VAL A 43 15.897 -2.357 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.423 -0.809 -2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.322 -0.535 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 43 15.681 0.578 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.750 -1.596 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 43 18.070 -0.243 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 43 18.327 -1.918 -0.932 1.00 0.00 H new ATOM 615 N ASP A 44 17.731 0.641 1.512 1.00 0.00 N ATOM 616 CA ASP A 44 18.418 1.901 1.784 1.00 0.00 C ATOM 617 C ASP A 44 17.435 3.042 2.034 1.00 0.00 C ATOM 618 O ASP A 44 17.730 4.198 1.739 1.00 0.00 O ATOM 619 CB ASP A 44 19.387 2.258 0.640 1.00 0.00 C ATOM 620 CG ASP A 44 18.633 2.841 -0.560 1.00 0.00 C ATOM 621 OD1 ASP A 44 18.369 4.031 -0.548 1.00 0.00 O ATOM 622 OD2 ASP A 44 18.341 2.090 -1.472 1.00 0.00 O ATOM 0 H ASP A 44 18.024 -0.130 2.112 1.00 0.00 H new ATOM 0 HA ASP A 44 18.997 1.762 2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 44 20.124 2.978 0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.934 1.367 0.332 1.00 0.00 H new ATOM 627 N GLY A 45 16.269 2.721 2.588 1.00 0.00 N ATOM 628 CA GLY A 45 15.273 3.738 2.876 1.00 0.00 C ATOM 629 C GLY A 45 14.445 4.087 1.660 1.00 0.00 C ATOM 630 O GLY A 45 14.170 5.258 1.400 1.00 0.00 O ATOM 0 H GLY A 45 15.996 1.772 2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.616 3.386 3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.769 4.636 3.246 1.00 0.00 H new ATOM 634 N SER A 46 14.034 3.063 0.916 1.00 0.00 N ATOM 635 CA SER A 46 13.220 3.264 -0.283 1.00 0.00 C ATOM 636 C SER A 46 12.261 2.095 -0.467 1.00 0.00 C ATOM 637 O SER A 46 12.672 0.938 -0.447 1.00 0.00 O ATOM 638 CB SER A 46 14.123 3.378 -1.514 1.00 0.00 C ATOM 639 OG SER A 46 14.992 4.493 -1.362 1.00 0.00 O ATOM 0 H SER A 46 14.250 2.087 1.120 1.00 0.00 H new ATOM 0 HA SER A 46 12.648 4.184 -0.166 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.704 2.464 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.518 3.495 -2.413 1.00 0.00 H new ATOM 0 HG SER A 46 15.572 4.566 -2.149 1.00 0.00 H new ATOM 645 N LEU A 47 10.978 2.401 -0.650 1.00 0.00 N ATOM 646 CA LEU A 47 9.974 1.354 -0.846 1.00 0.00 C ATOM 647 C LEU A 47 9.893 0.979 -2.318 1.00 0.00 C ATOM 648 O LEU A 47 9.645 1.830 -3.173 1.00 0.00 O ATOM 649 CB LEU A 47 8.598 1.829 -0.375 1.00 0.00 C ATOM 650 CG LEU A 47 8.658 2.299 1.082 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.271 2.795 1.495 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.093 1.149 2.010 1.00 0.00 C ATOM 0 H LEU A 47 10.611 3.353 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 47 10.271 0.485 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.251 2.643 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.875 1.019 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 47 9.389 3.103 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.299 3.133 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.974 3.623 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.550 1.983 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.129 1.506 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.378 0.330 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.081 0.796 1.714 1.00 0.00 H new ATOM 664 N LYS A 48 10.101 -0.306 -2.605 1.00 0.00 N ATOM 665 CA LYS A 48 10.052 -0.816 -3.979 1.00 0.00 C ATOM 666 C LYS A 48 9.045 -1.952 -4.077 1.00 0.00 C ATOM 667 O LYS A 48 8.970 -2.801 -3.193 1.00 0.00 O ATOM 668 CB LYS A 48 11.442 -1.318 -4.394 1.00 0.00 C ATOM 669 CG LYS A 48 12.420 -0.126 -4.515 1.00 0.00 C ATOM 670 CD LYS A 48 12.291 0.555 -5.910 1.00 0.00 C ATOM 671 CE LYS A 48 12.517 2.070 -5.793 1.00 0.00 C ATOM 672 NZ LYS A 48 13.909 2.335 -5.337 1.00 0.00 N ATOM 0 H LYS A 48 10.306 -1.017 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 48 9.745 -0.011 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.814 -2.032 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.378 -1.845 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.213 0.601 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.443 -0.472 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.018 0.125 -6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.303 0.360 -6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.342 2.549 -6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.805 2.501 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.097 3.357 -5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.025 1.995 -4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.578 1.838 -5.959 1.00 0.00 H new ATOM 686 N TRP A 49 8.263 -1.948 -5.149 1.00 0.00 N ATOM 687 CA TRP A 49 7.241 -2.971 -5.350 1.00 0.00 C ATOM 688 C TRP A 49 7.849 -4.362 -5.452 1.00 0.00 C ATOM 689 O TRP A 49 9.044 -4.549 -5.223 1.00 0.00 O ATOM 690 CB TRP A 49 6.438 -2.657 -6.619 1.00 0.00 C ATOM 691 CG TRP A 49 5.569 -1.481 -6.346 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.727 -0.246 -6.875 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.418 -1.413 -5.467 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.751 0.586 -6.357 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.916 -0.089 -5.490 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.761 -2.370 -4.651 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.806 0.281 -4.729 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.632 -2.002 -3.886 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.158 -0.676 -3.922 1.00 0.00 C ATOM 0 H TRP A 49 8.315 -1.251 -5.892 1.00 0.00 H new ATOM 0 HA TRP A 49 6.581 -2.961 -4.483 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.110 -2.447 -7.451 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.833 -3.517 -6.907 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.489 0.042 -7.584 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.660 1.575 -6.587 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.126 -3.386 -4.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.444 1.298 -4.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.132 -2.738 -3.273 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.299 -0.393 -3.332 1.00 0.00 H new ATOM 710 N GLN A 50 6.997 -5.337 -5.796 1.00 0.00 N ATOM 711 CA GLN A 50 7.412 -6.737 -5.934 1.00 0.00 C ATOM 712 C GLN A 50 8.487 -7.101 -4.915 1.00 0.00 C ATOM 713 O GLN A 50 9.503 -7.707 -5.256 1.00 0.00 O ATOM 714 CB GLN A 50 7.921 -7.011 -7.357 1.00 0.00 C ATOM 715 CG GLN A 50 9.001 -5.995 -7.742 1.00 0.00 C ATOM 716 CD GLN A 50 9.640 -6.404 -9.069 1.00 0.00 C ATOM 717 OE1 GLN A 50 10.227 -7.461 -9.176 1.00 0.00 O ATOM 718 NE2 GLN A 50 9.547 -5.600 -10.094 1.00 0.00 N ATOM 0 H GLN A 50 6.007 -5.178 -5.985 1.00 0.00 H new ATOM 0 HA GLN A 50 6.538 -7.360 -5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.325 -8.022 -7.417 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.093 -6.956 -8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.564 -5.000 -7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.760 -5.943 -6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.053 -4.712 -10.003 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.968 -5.860 -10.986 1.00 0.00 H new ATOM 727 N GLY A 51 8.255 -6.715 -3.659 1.00 0.00 N ATOM 728 CA GLY A 51 9.202 -6.985 -2.586 1.00 0.00 C ATOM 729 C GLY A 51 8.507 -7.323 -1.281 1.00 0.00 C ATOM 730 O GLY A 51 7.280 -7.400 -1.222 1.00 0.00 O ATOM 0 H GLY A 51 7.417 -6.214 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.850 -7.812 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.842 -6.114 -2.440 1.00 0.00 H new ATOM 734 N SER A 52 9.299 -7.529 -0.227 1.00 0.00 N ATOM 735 CA SER A 52 8.749 -7.867 1.085 1.00 0.00 C ATOM 736 C SER A 52 9.744 -7.525 2.198 1.00 0.00 C ATOM 737 O SER A 52 10.853 -7.059 1.936 1.00 0.00 O ATOM 738 CB SER A 52 8.400 -9.362 1.128 1.00 0.00 C ATOM 739 OG SER A 52 9.436 -10.102 0.500 1.00 0.00 O ATOM 0 H SER A 52 10.317 -7.468 -0.256 1.00 0.00 H new ATOM 0 HA SER A 52 7.845 -7.280 1.246 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.277 -9.689 2.160 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.451 -9.541 0.622 1.00 0.00 H new ATOM 0 HG SER A 52 9.218 -11.057 0.527 1.00 0.00 H new ATOM 745 N ASN A 53 9.328 -7.774 3.439 1.00 0.00 N ATOM 746 CA ASN A 53 10.169 -7.508 4.608 1.00 0.00 C ATOM 747 C ASN A 53 10.624 -6.047 4.654 1.00 0.00 C ATOM 748 O ASN A 53 11.805 -5.769 4.864 1.00 0.00 O ATOM 749 CB ASN A 53 11.401 -8.429 4.590 1.00 0.00 C ATOM 750 CG ASN A 53 10.991 -9.857 4.958 1.00 0.00 C ATOM 751 OD1 ASN A 53 10.818 -10.695 4.096 1.00 0.00 O ATOM 752 ND2 ASN A 53 10.831 -10.169 6.215 1.00 0.00 N ATOM 0 H ASN A 53 8.411 -8.161 3.662 1.00 0.00 H new ATOM 0 HA ASN A 53 9.571 -7.706 5.498 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.860 -8.417 3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.149 -8.064 5.294 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.560 -11.118 6.475 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.977 -9.464 6.938 1.00 0.00 H new ATOM 759 N PHE A 54 9.686 -5.113 4.469 1.00 0.00 N ATOM 760 CA PHE A 54 10.013 -3.679 4.506 1.00 0.00 C ATOM 761 C PHE A 54 9.557 -3.062 5.826 1.00 0.00 C ATOM 762 O PHE A 54 10.226 -2.192 6.372 1.00 0.00 O ATOM 763 CB PHE A 54 9.352 -2.950 3.302 1.00 0.00 C ATOM 764 CG PHE A 54 8.006 -2.361 3.671 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.924 -1.080 4.253 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.841 -3.099 3.430 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.664 -0.539 4.591 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.577 -2.565 3.764 1.00 0.00 C ATOM 769 CZ PHE A 54 5.488 -1.283 4.347 1.00 0.00 C ATOM 0 H PHE A 54 8.702 -5.318 4.294 1.00 0.00 H new ATOM 0 HA PHE A 54 11.094 -3.563 4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.012 -2.157 2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.228 -3.651 2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.824 -0.513 4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.909 -4.081 2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.599 0.443 5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.681 -3.136 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.524 -0.872 4.606 1.00 0.00 H new ATOM 779 N ILE A 55 8.427 -3.543 6.334 1.00 0.00 N ATOM 780 CA ILE A 55 7.892 -3.036 7.593 1.00 0.00 C ATOM 781 C ILE A 55 8.865 -3.313 8.722 1.00 0.00 C ATOM 782 O ILE A 55 9.011 -2.508 9.641 1.00 0.00 O ATOM 783 CB ILE A 55 6.538 -3.692 7.930 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.961 -3.100 9.237 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.730 -5.202 8.105 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.762 -1.574 9.109 1.00 0.00 C ATOM 0 H ILE A 55 7.868 -4.277 5.898 1.00 0.00 H new ATOM 0 HA ILE A 55 7.745 -1.962 7.480 1.00 0.00 H new ATOM 0 HB ILE A 55 5.843 -3.497 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.008 -3.577 9.468 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.634 -3.315 10.067 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.773 -5.665 8.343 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.120 -5.629 7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.435 -5.388 8.916 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.355 -1.181 10.041 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.721 -1.098 8.902 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.069 -1.365 8.294 1.00 0.00 H new ATOM 798 N GLU A 56 9.535 -4.455 8.643 1.00 0.00 N ATOM 799 CA GLU A 56 10.504 -4.828 9.661 1.00 0.00 C ATOM 800 C GLU A 56 11.468 -3.671 9.900 1.00 0.00 C ATOM 801 O GLU A 56 11.955 -3.474 11.013 1.00 0.00 O ATOM 802 CB GLU A 56 11.284 -6.070 9.201 1.00 0.00 C ATOM 803 CG GLU A 56 10.389 -7.333 9.283 1.00 0.00 C ATOM 804 CD GLU A 56 10.530 -8.004 10.658 1.00 0.00 C ATOM 805 OE1 GLU A 56 10.694 -7.289 11.632 1.00 0.00 O ATOM 806 OE2 GLU A 56 10.478 -9.223 10.707 1.00 0.00 O ATOM 0 H GLU A 56 9.426 -5.134 7.890 1.00 0.00 H new ATOM 0 HA GLU A 56 9.982 -5.057 10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.633 -5.930 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.169 -6.203 9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.348 -7.060 9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.669 -8.036 8.498 1.00 0.00 H new ATOM 813 N ALA A 57 11.752 -2.917 8.832 1.00 0.00 N ATOM 814 CA ALA A 57 12.677 -1.784 8.907 1.00 0.00 C ATOM 815 C ALA A 57 11.970 -0.447 8.672 1.00 0.00 C ATOM 816 O ALA A 57 12.636 0.550 8.407 1.00 0.00 O ATOM 817 CB ALA A 57 13.767 -1.965 7.863 1.00 0.00 C ATOM 0 H ALA A 57 11.354 -3.072 7.906 1.00 0.00 H new ATOM 0 HA ALA A 57 13.101 -1.762 9.911 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.461 -1.126 7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.306 -2.893 8.057 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.317 -2.007 6.871 1.00 0.00 H new ATOM 823 N CYS A 58 10.628 -0.416 8.756 1.00 0.00 N ATOM 824 CA CYS A 58 9.869 0.837 8.542 1.00 0.00 C ATOM 825 C CYS A 58 8.899 1.093 9.694 1.00 0.00 C ATOM 826 O CYS A 58 8.624 0.211 10.507 1.00 0.00 O ATOM 827 CB CYS A 58 9.095 0.780 7.195 1.00 0.00 C ATOM 828 SG CYS A 58 9.590 2.143 6.101 1.00 0.00 S ATOM 0 H CYS A 58 10.050 -1.230 8.967 1.00 0.00 H new ATOM 0 HA CYS A 58 10.583 1.660 8.505 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.285 -0.174 6.702 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.023 0.833 7.385 1.00 0.00 H new ATOM 833 N ARG A 59 8.384 2.320 9.736 1.00 0.00 N ATOM 834 CA ARG A 59 7.436 2.723 10.767 1.00 0.00 C ATOM 835 C ARG A 59 6.664 3.958 10.310 1.00 0.00 C ATOM 836 O ARG A 59 6.959 4.528 9.259 1.00 0.00 O ATOM 837 CB ARG A 59 8.176 3.027 12.081 1.00 0.00 C ATOM 838 CG ARG A 59 9.187 4.208 11.903 1.00 0.00 C ATOM 839 CD ARG A 59 10.631 3.732 12.121 1.00 0.00 C ATOM 840 NE ARG A 59 11.547 4.911 12.123 1.00 0.00 N ATOM 841 CZ ARG A 59 11.666 5.655 13.192 1.00 0.00 C ATOM 842 NH1 ARG A 59 11.049 5.323 14.294 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.402 6.732 13.157 1.00 0.00 N ATOM 0 H ARG A 59 8.610 3.053 9.064 1.00 0.00 H new ATOM 0 HA ARG A 59 6.735 1.906 10.938 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.454 3.277 12.858 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.708 2.137 12.416 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.086 4.630 10.903 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.951 5.003 12.610 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.710 3.195 13.066 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.919 3.035 11.334 1.00 0.00 H new ATOM 0 HE ARG A 59 12.083 5.138 11.285 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.473 4.482 14.322 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.143 5.905 15.126 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.884 6.993 12.297 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.496 7.313 13.990 1.00 0.00 H new ATOM 857 N ASN A 60 5.681 4.366 11.101 1.00 0.00 N ATOM 858 CA ASN A 60 4.879 5.536 10.761 1.00 0.00 C ATOM 859 C ASN A 60 4.299 5.400 9.357 1.00 0.00 C ATOM 860 O ASN A 60 4.467 6.281 8.514 1.00 0.00 O ATOM 861 CB ASN A 60 5.734 6.800 10.843 1.00 0.00 C ATOM 862 CG ASN A 60 6.118 7.061 12.300 1.00 0.00 C ATOM 863 OD1 ASN A 60 7.346 6.845 12.685 1.00 0.00 O flip ATOM 864 ND2 ASN A 60 5.292 7.462 13.095 1.00 0.00 N flip ATOM 0 H ASN A 60 5.420 3.910 11.975 1.00 0.00 H new ATOM 0 HA ASN A 60 4.058 5.608 11.475 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.631 6.686 10.234 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.183 7.651 10.443 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.333 7.630 12.792 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.558 7.630 14.065 1.00 0.00 H new ATOM 871 N THR A 61 3.605 4.290 9.124 1.00 0.00 N ATOM 872 CA THR A 61 2.980 4.028 7.827 1.00 0.00 C ATOM 873 C THR A 61 1.553 4.572 7.829 1.00 0.00 C ATOM 874 O THR A 61 0.790 4.330 8.763 1.00 0.00 O ATOM 875 CB THR A 61 2.957 2.508 7.538 1.00 0.00 C ATOM 876 OG1 THR A 61 2.570 1.817 8.713 1.00 0.00 O ATOM 877 CG2 THR A 61 4.355 2.029 7.105 1.00 0.00 C ATOM 0 H THR A 61 3.460 3.555 9.816 1.00 0.00 H new ATOM 0 HA THR A 61 3.560 4.524 7.049 1.00 0.00 H new ATOM 0 HB THR A 61 2.247 2.307 6.735 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.357 1.664 9.277 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.327 0.958 6.904 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.658 2.559 6.202 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.071 2.230 7.902 1.00 0.00 H new ATOM 885 N GLN A 62 1.201 5.323 6.787 1.00 0.00 N ATOM 886 CA GLN A 62 -0.135 5.910 6.696 1.00 0.00 C ATOM 887 C GLN A 62 -0.487 6.254 5.251 1.00 0.00 C ATOM 888 O GLN A 62 0.361 6.197 4.360 1.00 0.00 O ATOM 889 CB GLN A 62 -0.203 7.175 7.559 1.00 0.00 C ATOM 890 CG GLN A 62 0.876 8.178 7.114 1.00 0.00 C ATOM 891 CD GLN A 62 1.104 9.218 8.214 1.00 0.00 C ATOM 892 OE1 GLN A 62 0.914 8.936 9.381 1.00 0.00 O ATOM 893 NE2 GLN A 62 1.510 10.414 7.890 1.00 0.00 N ATOM 0 H GLN A 62 1.815 5.538 6.001 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.856 5.177 7.059 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.190 7.630 7.474 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.060 6.917 8.608 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.807 7.653 6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.568 8.672 6.192 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.669 10.651 6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.668 11.113 8.616 1.00 0.00 H new ATOM 902 N LEU A 63 -1.751 6.612 5.031 1.00 0.00 N ATOM 903 CA LEU A 63 -2.234 6.969 3.697 1.00 0.00 C ATOM 904 C LEU A 63 -2.015 8.456 3.432 1.00 0.00 C ATOM 905 O LEU A 63 -2.373 9.299 4.255 1.00 0.00 O ATOM 906 CB LEU A 63 -3.730 6.640 3.603 1.00 0.00 C ATOM 907 CG LEU A 63 -4.268 6.891 2.153 1.00 0.00 C ATOM 908 CD1 LEU A 63 -4.844 5.592 1.567 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.378 7.957 2.176 1.00 0.00 C ATOM 0 H LEU A 63 -2.461 6.663 5.761 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.681 6.400 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.896 5.599 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.286 7.252 4.313 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.438 7.236 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.214 5.780 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.064 4.832 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.663 5.241 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.744 8.123 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.198 7.614 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.979 8.890 2.575 1.00 0.00 H new ATOM 921 N ALA A 64 -1.416 8.773 2.281 1.00 0.00 N ATOM 922 CA ALA A 64 -1.134 10.167 1.910 1.00 0.00 C ATOM 923 C ALA A 64 -1.686 10.492 0.524 1.00 0.00 C ATOM 924 O ALA A 64 -1.566 9.697 -0.406 1.00 0.00 O ATOM 925 CB ALA A 64 0.371 10.395 1.919 1.00 0.00 C ATOM 0 H ALA A 64 -1.116 8.086 1.589 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.620 10.821 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.584 11.428 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.763 10.197 2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.845 9.724 1.203 1.00 0.00 H new ATOM 931 N GLY A 65 -2.278 11.679 0.397 1.00 0.00 N ATOM 932 CA GLY A 65 -2.830 12.123 -0.873 1.00 0.00 C ATOM 933 C GLY A 65 -4.136 11.438 -1.232 1.00 0.00 C ATOM 934 O GLY A 65 -5.139 12.100 -1.495 1.00 0.00 O ATOM 0 H GLY A 65 -2.385 12.347 1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.991 13.200 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.102 11.938 -1.662 1.00 0.00 H new ATOM 938 N SER A 66 -4.122 10.110 -1.234 1.00 0.00 N ATOM 939 CA SER A 66 -5.319 9.330 -1.562 1.00 0.00 C ATOM 940 C SER A 66 -4.944 7.876 -1.834 1.00 0.00 C ATOM 941 O SER A 66 -5.645 6.955 -1.417 1.00 0.00 O ATOM 942 CB SER A 66 -6.030 9.932 -2.792 1.00 0.00 C ATOM 943 OG SER A 66 -6.993 10.883 -2.353 1.00 0.00 O ATOM 0 H SER A 66 -3.300 9.548 -1.013 1.00 0.00 H new ATOM 0 HA SER A 66 -6.000 9.365 -0.711 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.304 10.409 -3.450 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.515 9.145 -3.369 1.00 0.00 H new ATOM 0 HG SER A 66 -6.542 11.720 -2.115 1.00 0.00 H new ATOM 949 N SER A 67 -3.839 7.679 -2.552 1.00 0.00 N ATOM 950 CA SER A 67 -3.378 6.334 -2.895 1.00 0.00 C ATOM 951 C SER A 67 -1.858 6.256 -2.845 1.00 0.00 C ATOM 952 O SER A 67 -1.245 5.583 -3.664 1.00 0.00 O ATOM 953 CB SER A 67 -3.867 5.967 -4.304 1.00 0.00 C ATOM 954 OG SER A 67 -2.868 6.298 -5.262 1.00 0.00 O ATOM 0 H SER A 67 -3.248 8.431 -2.907 1.00 0.00 H new ATOM 0 HA SER A 67 -3.785 5.631 -2.169 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.094 4.902 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.791 6.500 -4.529 1.00 0.00 H new ATOM 0 HG SER A 67 -2.050 5.794 -5.069 1.00 0.00 H new ATOM 960 N GLU A 68 -1.254 6.941 -1.876 1.00 0.00 N ATOM 961 CA GLU A 68 0.206 6.933 -1.717 1.00 0.00 C ATOM 962 C GLU A 68 0.560 6.568 -0.286 1.00 0.00 C ATOM 963 O GLU A 68 0.042 7.157 0.660 1.00 0.00 O ATOM 964 CB GLU A 68 0.798 8.310 -2.058 1.00 0.00 C ATOM 965 CG GLU A 68 0.282 8.805 -3.447 1.00 0.00 C ATOM 966 CD GLU A 68 1.453 9.280 -4.319 1.00 0.00 C ATOM 967 OE1 GLU A 68 2.178 8.432 -4.812 1.00 0.00 O ATOM 968 OE2 GLU A 68 1.602 10.481 -4.476 1.00 0.00 O ATOM 0 H GLU A 68 -1.749 7.509 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 68 0.626 6.195 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.526 9.030 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.886 8.251 -2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.251 7.999 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.429 9.619 -3.308 1.00 0.00 H new ATOM 975 N LEU A 69 1.434 5.578 -0.131 1.00 0.00 N ATOM 976 CA LEU A 69 1.843 5.122 1.197 1.00 0.00 C ATOM 977 C LEU A 69 3.092 5.858 1.660 1.00 0.00 C ATOM 978 O LEU A 69 4.181 5.669 1.122 1.00 0.00 O ATOM 979 CB LEU A 69 2.075 3.599 1.155 1.00 0.00 C ATOM 980 CG LEU A 69 2.754 3.049 2.440 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.293 3.292 2.443 1.00 0.00 C ATOM 982 CD2 LEU A 69 2.102 3.661 3.699 1.00 0.00 C ATOM 0 H LEU A 69 1.872 5.077 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 69 1.054 5.342 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.119 3.096 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.694 3.356 0.292 1.00 0.00 H new ATOM 0 HG LEU A 69 2.601 1.970 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.723 2.891 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.742 2.794 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.492 4.362 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.589 3.265 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.213 4.745 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.043 3.405 3.721 1.00 0.00 H new ATOM 994 N ALA A 70 2.911 6.673 2.695 1.00 0.00 N ATOM 995 CA ALA A 70 4.009 7.429 3.297 1.00 0.00 C ATOM 996 C ALA A 70 4.548 6.652 4.492 1.00 0.00 C ATOM 997 O ALA A 70 3.775 6.109 5.281 1.00 0.00 O ATOM 998 CB ALA A 70 3.513 8.795 3.744 1.00 0.00 C ATOM 0 H ALA A 70 2.006 6.829 3.139 1.00 0.00 H new ATOM 0 HA ALA A 70 4.804 7.570 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.336 9.352 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.130 9.343 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.717 8.671 4.479 1.00 0.00 H new ATOM 1004 N ALA A 71 5.870 6.589 4.625 1.00 0.00 N ATOM 1005 CA ALA A 71 6.475 5.856 5.735 1.00 0.00 C ATOM 1006 C ALA A 71 7.920 6.281 5.945 1.00 0.00 C ATOM 1007 O ALA A 71 8.398 7.224 5.316 1.00 0.00 O ATOM 1008 CB ALA A 71 6.414 4.366 5.456 1.00 0.00 C ATOM 0 H ALA A 71 6.535 7.029 3.989 1.00 0.00 H new ATOM 0 HA ALA A 71 5.916 6.083 6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.866 3.822 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.374 4.059 5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.958 4.145 4.538 1.00 0.00 H new ATOM 1014 N GLU A 72 8.615 5.579 6.843 1.00 0.00 N ATOM 1015 CA GLU A 72 10.012 5.897 7.147 1.00 0.00 C ATOM 1016 C GLU A 72 10.850 4.623 7.302 1.00 0.00 C ATOM 1017 O GLU A 72 10.827 3.988 8.353 1.00 0.00 O ATOM 1018 CB GLU A 72 10.072 6.718 8.456 1.00 0.00 C ATOM 1019 CG GLU A 72 9.814 8.217 8.192 1.00 0.00 C ATOM 1020 CD GLU A 72 10.296 9.043 9.392 1.00 0.00 C ATOM 1021 OE1 GLU A 72 10.377 8.488 10.476 1.00 0.00 O ATOM 1022 OE2 GLU A 72 10.584 10.213 9.201 1.00 0.00 O ATOM 0 H GLU A 72 8.236 4.792 7.369 1.00 0.00 H new ATOM 0 HA GLU A 72 10.424 6.475 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.332 6.338 9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.049 6.592 8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.335 8.532 7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.751 8.389 8.023 1.00 0.00 H new ATOM 1029 N CYS A 73 11.589 4.260 6.244 1.00 0.00 N ATOM 1030 CA CYS A 73 12.444 3.063 6.265 1.00 0.00 C ATOM 1031 C CYS A 73 13.888 3.431 6.608 1.00 0.00 C ATOM 1032 O CYS A 73 14.396 4.477 6.203 1.00 0.00 O ATOM 1033 CB CYS A 73 12.382 2.352 4.905 1.00 0.00 C ATOM 1034 SG CYS A 73 10.912 1.292 4.830 1.00 0.00 S ATOM 0 H CYS A 73 11.612 4.776 5.365 1.00 0.00 H new ATOM 0 HA CYS A 73 12.075 2.387 7.037 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.352 3.088 4.101 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.281 1.754 4.756 1.00 0.00 H new ATOM 1039 N LYS A 74 14.532 2.553 7.377 1.00 0.00 N ATOM 1040 CA LYS A 74 15.911 2.766 7.807 1.00 0.00 C ATOM 1041 C LYS A 74 16.886 2.533 6.651 1.00 0.00 C ATOM 1042 O LYS A 74 16.808 1.525 5.949 1.00 0.00 O ATOM 1043 CB LYS A 74 16.226 1.821 8.999 1.00 0.00 C ATOM 1044 CG LYS A 74 16.887 2.599 10.145 1.00 0.00 C ATOM 1045 CD LYS A 74 17.153 1.653 11.318 1.00 0.00 C ATOM 1046 CE LYS A 74 17.891 2.405 12.429 1.00 0.00 C ATOM 1047 NZ LYS A 74 18.407 1.432 13.430 1.00 0.00 N ATOM 0 H LYS A 74 14.117 1.685 7.715 1.00 0.00 H new ATOM 0 HA LYS A 74 16.030 3.800 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.307 1.354 9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.886 1.018 8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.822 3.045 9.804 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.241 3.417 10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.212 1.255 11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.747 0.802 10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.715 2.981 12.008 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.219 3.116 12.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.908 1.943 14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.612 0.901 13.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.062 0.771 12.966 1.00 0.00 H new ATOM 1061 N THR A 75 17.800 3.481 6.464 1.00 0.00 N ATOM 1062 CA THR A 75 18.788 3.380 5.396 1.00 0.00 C ATOM 1063 C THR A 75 19.837 2.327 5.735 1.00 0.00 C ATOM 1064 O THR A 75 19.893 1.831 6.860 1.00 0.00 O ATOM 1065 CB THR A 75 19.498 4.732 5.161 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.990 5.225 6.397 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.516 5.751 4.563 1.00 0.00 C ATOM 0 H THR A 75 17.877 4.323 7.035 1.00 0.00 H new ATOM 0 HA THR A 75 18.256 3.093 4.489 1.00 0.00 H new ATOM 0 HB THR A 75 20.323 4.583 4.465 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.796 5.760 6.238 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.029 6.699 4.402 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.138 5.377 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.683 5.901 5.250 1.00 0.00 H new ATOM 1075 N ALA A 76 20.667 1.992 4.754 1.00 0.00 N ATOM 1076 CA ALA A 76 21.711 0.998 4.959 1.00 0.00 C ATOM 1077 C ALA A 76 22.645 1.431 6.084 1.00 0.00 C ATOM 1078 O ALA A 76 23.258 0.597 6.750 1.00 0.00 O ATOM 1079 CB ALA A 76 22.500 0.811 3.672 1.00 0.00 C ATOM 0 H ALA A 76 20.637 2.391 3.816 1.00 0.00 H new ATOM 0 HA ALA A 76 21.247 0.052 5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.281 0.067 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.831 0.474 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 76 22.955 1.758 3.383 1.00 0.00 H new ATOM 1085 N ALA A 77 22.746 2.744 6.288 1.00 0.00 N ATOM 1086 CA ALA A 77 23.609 3.291 7.333 1.00 0.00 C ATOM 1087 C ALA A 77 22.912 3.254 8.690 1.00 0.00 C ATOM 1088 O ALA A 77 23.568 3.196 9.730 1.00 0.00 O ATOM 1089 CB ALA A 77 23.982 4.724 6.989 1.00 0.00 C ATOM 0 H ALA A 77 22.243 3.446 5.745 1.00 0.00 H new ATOM 0 HA ALA A 77 24.510 2.680 7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.625 5.130 7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.511 4.744 6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 77 23.077 5.328 6.914 1.00 0.00 H new ATOM 1095 N GLY A 78 21.576 3.280 8.673 1.00 0.00 N ATOM 1096 CA GLY A 78 20.788 3.245 9.904 1.00 0.00 C ATOM 1097 C GLY A 78 20.048 4.549 10.156 1.00 0.00 C ATOM 1098 O GLY A 78 19.817 4.923 11.306 1.00 0.00 O ATOM 0 H GLY A 78 21.020 3.325 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.069 2.427 9.849 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.446 3.035 10.747 1.00 0.00 H new ATOM 1102 N GLN A 79 19.669 5.247 9.079 1.00 0.00 N ATOM 1103 CA GLN A 79 18.939 6.524 9.196 1.00 0.00 C ATOM 1104 C GLN A 79 17.584 6.426 8.506 1.00 0.00 C ATOM 1105 O GLN A 79 17.494 6.032 7.345 1.00 0.00 O ATOM 1106 CB GLN A 79 19.743 7.670 8.546 1.00 0.00 C ATOM 1107 CG GLN A 79 20.913 8.120 9.454 1.00 0.00 C ATOM 1108 CD GLN A 79 21.275 9.577 9.142 1.00 0.00 C ATOM 1109 OE1 GLN A 79 22.229 9.844 8.440 1.00 0.00 O ATOM 1110 NE2 GLN A 79 20.539 10.536 9.636 1.00 0.00 N ATOM 0 H GLN A 79 19.852 4.955 8.119 1.00 0.00 H new ATOM 0 HA GLN A 79 18.798 6.732 10.257 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.133 7.343 7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 79 19.083 8.516 8.353 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.632 8.021 10.502 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.779 7.477 9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 79 19.738 10.312 10.226 1.00 0.00 H new ATOM 0 HE22 GLN A 79 20.766 11.509 9.432 1.00 0.00 H new ATOM 1119 N PHE A 80 16.531 6.801 9.227 1.00 0.00 N ATOM 1120 CA PHE A 80 15.181 6.767 8.685 1.00 0.00 C ATOM 1121 C PHE A 80 14.926 7.973 7.781 1.00 0.00 C ATOM 1122 O PHE A 80 14.999 9.119 8.224 1.00 0.00 O ATOM 1123 CB PHE A 80 14.183 6.783 9.852 1.00 0.00 C ATOM 1124 CG PHE A 80 14.116 5.419 10.515 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.487 4.348 9.850 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.666 5.220 11.803 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.409 3.080 10.465 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.582 3.953 12.421 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.955 2.881 11.750 1.00 0.00 C ATOM 0 H PHE A 80 16.590 7.132 10.190 1.00 0.00 H new ATOM 0 HA PHE A 80 15.059 5.862 8.090 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.482 7.535 10.583 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.195 7.066 9.489 1.00 0.00 H new ATOM 0 HD1 PHE A 80 13.064 4.498 8.868 1.00 0.00 H new ATOM 0 HD2 PHE A 80 15.151 6.038 12.315 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.930 2.260 9.950 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.997 3.804 13.407 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.894 1.910 12.220 1.00 0.00 H new ATOM 1139 N VAL A 81 14.606 7.702 6.516 1.00 0.00 N ATOM 1140 CA VAL A 81 14.309 8.758 5.538 1.00 0.00 C ATOM 1141 C VAL A 81 12.836 8.679 5.155 1.00 0.00 C ATOM 1142 O VAL A 81 12.190 7.665 5.397 1.00 0.00 O ATOM 1143 CB VAL A 81 15.169 8.599 4.268 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.619 8.962 4.590 1.00 0.00 C ATOM 1145 CG2 VAL A 81 15.105 7.150 3.784 1.00 0.00 C ATOM 0 H VAL A 81 14.545 6.756 6.139 1.00 0.00 H new ATOM 0 HA VAL A 81 14.537 9.723 5.990 1.00 0.00 H new ATOM 0 HB VAL A 81 14.790 9.259 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.230 8.851 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.667 9.995 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.995 8.300 5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.713 7.039 2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.484 6.489 4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.072 6.888 3.557 1.00 0.00 H new ATOM 1155 N SER A 82 12.302 9.741 4.554 1.00 0.00 N ATOM 1156 CA SER A 82 10.895 9.755 4.158 1.00 0.00 C ATOM 1157 C SER A 82 10.695 9.036 2.834 1.00 0.00 C ATOM 1158 O SER A 82 11.128 9.518 1.787 1.00 0.00 O ATOM 1159 CB SER A 82 10.415 11.197 4.016 1.00 0.00 C ATOM 1160 OG SER A 82 11.223 11.865 3.057 1.00 0.00 O ATOM 0 H SER A 82 12.816 10.594 4.333 1.00 0.00 H new ATOM 0 HA SER A 82 10.321 9.241 4.929 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.370 11.216 3.706 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.472 11.708 4.977 1.00 0.00 H new ATOM 0 HG SER A 82 11.357 11.283 2.280 1.00 0.00 H new ATOM 1166 N THR A 83 10.040 7.876 2.883 1.00 0.00 N ATOM 1167 CA THR A 83 9.785 7.090 1.675 1.00 0.00 C ATOM 1168 C THR A 83 8.312 7.118 1.311 1.00 0.00 C ATOM 1169 O THR A 83 7.437 7.054 2.175 1.00 0.00 O ATOM 1170 CB THR A 83 10.201 5.627 1.872 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.213 4.955 2.643 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.546 5.561 2.594 1.00 0.00 C ATOM 0 H THR A 83 9.678 7.461 3.741 1.00 0.00 H new ATOM 0 HA THR A 83 10.374 7.537 0.874 1.00 0.00 H new ATOM 0 HB THR A 83 10.295 5.146 0.899 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.635 4.239 3.163 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.835 4.519 2.730 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.303 6.073 2.000 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.461 6.044 3.567 1.00 0.00 H new ATOM 1180 N LYS A 84 8.051 7.216 0.013 1.00 0.00 N ATOM 1181 CA LYS A 84 6.687 7.258 -0.502 1.00 0.00 C ATOM 1182 C LYS A 84 6.571 6.358 -1.724 1.00 0.00 C ATOM 1183 O LYS A 84 7.568 6.047 -2.376 1.00 0.00 O ATOM 1184 CB LYS A 84 6.325 8.704 -0.874 1.00 0.00 C ATOM 1185 CG LYS A 84 7.152 9.180 -2.107 1.00 0.00 C ATOM 1186 CD LYS A 84 6.272 9.175 -3.373 1.00 0.00 C ATOM 1187 CE LYS A 84 7.118 9.360 -4.659 1.00 0.00 C ATOM 1188 NZ LYS A 84 6.712 8.329 -5.655 1.00 0.00 N ATOM 0 H LYS A 84 8.772 7.268 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 84 5.997 6.903 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.260 8.772 -1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.516 9.362 -0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.540 10.183 -1.929 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.013 8.527 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.723 8.235 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.533 9.973 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.969 10.359 -5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.179 9.265 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.274 8.444 -6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.876 7.381 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.703 8.441 -5.879 1.00 0.00 H new ATOM 1202 N ILE A 85 5.353 5.941 -2.028 1.00 0.00 N ATOM 1203 CA ILE A 85 5.118 5.076 -3.173 1.00 0.00 C ATOM 1204 C ILE A 85 3.640 5.110 -3.540 1.00 0.00 C ATOM 1205 O ILE A 85 2.773 5.049 -2.668 1.00 0.00 O ATOM 1206 CB ILE A 85 5.573 3.633 -2.862 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.544 2.786 -4.144 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.666 3.008 -1.802 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.241 1.425 -3.910 1.00 0.00 C ATOM 0 H ILE A 85 4.515 6.186 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 85 5.701 5.435 -4.021 1.00 0.00 H new ATOM 0 HB ILE A 85 6.592 3.662 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.512 2.624 -4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.042 3.322 -4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.998 1.991 -1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.712 3.600 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.640 2.986 -2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.211 0.838 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.278 1.593 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.725 0.884 -3.117 1.00 0.00 H new ATOM 1221 N ASN A 86 3.359 5.213 -4.835 1.00 0.00 N ATOM 1222 CA ASN A 86 1.980 5.270 -5.308 1.00 0.00 C ATOM 1223 C ASN A 86 1.368 3.872 -5.280 1.00 0.00 C ATOM 1224 O ASN A 86 1.772 2.999 -6.044 1.00 0.00 O ATOM 1225 CB ASN A 86 1.953 5.867 -6.740 1.00 0.00 C ATOM 1226 CG ASN A 86 0.829 6.906 -6.876 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.312 6.695 -6.280 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.999 7.920 -7.525 1.00 0.00 N flip ATOM 0 H ASN A 86 4.063 5.258 -5.572 1.00 0.00 H new ATOM 0 HA ASN A 86 1.388 5.911 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.913 6.332 -6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.808 5.070 -7.469 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.892 8.084 -7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.249 8.607 -7.604 1.00 0.00 H new ATOM 1235 N LEU A 87 0.365 3.693 -4.429 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.338 2.423 -4.307 1.00 0.00 C ATOM 1237 C LEU A 87 -1.112 2.118 -5.584 1.00 0.00 C ATOM 1238 O LEU A 87 -1.293 0.959 -5.956 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.301 2.525 -3.124 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.519 2.721 -1.813 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.505 3.021 -0.663 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.315 1.458 -1.478 1.00 0.00 C ATOM 0 H LEU A 87 0.017 4.422 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 87 0.377 1.617 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.986 3.359 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.908 1.622 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 87 0.165 3.561 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.950 3.160 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.064 3.929 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.198 2.187 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.860 1.618 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.350 0.602 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.023 1.265 -2.284 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.557 3.173 -6.251 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.310 3.031 -7.489 1.00 0.00 C ATOM 1256 C ASP A 88 -1.446 2.410 -8.584 1.00 0.00 C ATOM 1257 O ASP A 88 -1.954 1.958 -9.608 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.804 4.408 -7.947 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.613 5.326 -8.213 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.493 4.877 -8.045 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -1.844 6.464 -8.588 1.00 0.00 O ATOM 0 H ASP A 88 -1.409 4.138 -5.955 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.159 2.373 -7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.405 4.306 -8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.448 4.845 -7.184 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.138 2.405 -8.369 1.00 0.00 N ATOM 1267 CA ASP A 89 0.787 1.857 -9.355 1.00 0.00 C ATOM 1268 C ASP A 89 0.455 0.404 -9.709 1.00 0.00 C ATOM 1269 O ASP A 89 0.503 0.024 -10.879 1.00 0.00 O ATOM 1270 CB ASP A 89 2.224 1.945 -8.823 1.00 0.00 C ATOM 1271 CG ASP A 89 3.219 1.777 -9.976 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.325 0.674 -10.487 1.00 0.00 O ATOM 1273 OD2 ASP A 89 3.857 2.756 -10.329 1.00 0.00 O ATOM 0 H ASP A 89 0.306 2.771 -7.527 1.00 0.00 H new ATOM 0 HA ASP A 89 0.689 2.449 -10.265 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.381 2.906 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.391 1.173 -8.072 1.00 0.00 H new ATOM 1278 N HIS A 90 0.138 -0.413 -8.698 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.175 -1.835 -8.927 1.00 0.00 C ATOM 1280 C HIS A 90 -1.427 -2.266 -8.162 1.00 0.00 C ATOM 1281 O HIS A 90 -2.170 -3.130 -8.626 1.00 0.00 O ATOM 1282 CB HIS A 90 1.008 -2.698 -8.467 1.00 0.00 C ATOM 1283 CG HIS A 90 2.133 -2.632 -9.466 1.00 0.00 C ATOM 1284 ND1 HIS A 90 3.459 -2.536 -9.075 1.00 0.00 N ATOM 1285 CD2 HIS A 90 2.148 -2.665 -10.839 1.00 0.00 C ATOM 1286 CE1 HIS A 90 4.211 -2.519 -10.189 1.00 0.00 C ATOM 1287 NE2 HIS A 90 3.462 -2.596 -11.292 1.00 0.00 N ATOM 0 H HIS A 90 0.091 -0.121 -7.722 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.358 -1.970 -9.993 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.358 -2.355 -7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.685 -3.732 -8.343 1.00 0.00 H new ATOM 0 HD1 HIS A 90 3.802 -2.487 -8.116 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.274 -2.734 -11.470 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.289 -2.451 -10.192 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.649 -1.690 -6.986 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.814 -2.064 -6.191 1.00 0.00 C ATOM 1297 C ILE A 91 -4.083 -1.774 -6.978 1.00 0.00 C ATOM 1298 O ILE A 91 -4.359 -0.630 -7.338 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.864 -1.303 -4.847 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.494 -1.383 -4.132 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -3.966 -1.888 -3.955 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.256 -2.765 -3.497 1.00 0.00 C ATOM 0 H ILE A 91 -1.052 -0.977 -6.568 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.737 -3.129 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.090 -0.255 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.699 -1.170 -4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.442 -0.615 -3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.995 -1.346 -3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.929 -1.793 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.759 -2.941 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.283 -2.777 -3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.036 -2.967 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.281 -3.531 -4.272 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.846 -2.831 -7.256 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.092 -2.720 -8.019 1.00 0.00 C ATOM 1316 C ALA A 92 -7.273 -3.152 -7.162 1.00 0.00 C ATOM 1317 O ALA A 92 -7.102 -3.606 -6.031 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.014 -3.612 -9.251 1.00 0.00 C ATOM 0 H ALA A 92 -4.622 -3.782 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.230 -1.682 -8.321 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.941 -3.530 -9.819 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.177 -3.298 -9.875 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.868 -4.647 -8.942 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.472 -3.025 -7.722 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.702 -3.419 -7.033 1.00 0.00 C ATOM 1326 C ASN A 93 -10.399 -4.502 -7.843 1.00 0.00 C ATOM 1327 O ASN A 93 -10.727 -4.292 -9.011 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.627 -2.216 -6.899 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.832 -2.589 -6.036 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.683 -3.187 -4.988 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.030 -2.260 -6.436 1.00 0.00 N ATOM 0 H ASN A 93 -8.621 -2.649 -8.659 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.458 -3.796 -6.040 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.090 -1.380 -6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.960 -1.889 -7.884 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.842 -2.505 -5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.154 -1.758 -7.315 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.633 -5.657 -7.220 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.300 -6.781 -7.884 1.00 0.00 C ATOM 1340 C ILE A 94 -12.591 -7.115 -7.142 1.00 0.00 C ATOM 1341 O ILE A 94 -12.566 -7.468 -5.963 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.384 -8.032 -7.879 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.954 -7.646 -8.326 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.961 -9.135 -8.795 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.936 -7.066 -9.748 1.00 0.00 C ATOM 0 H ILE A 94 -10.370 -5.841 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.518 -6.498 -8.914 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.338 -8.425 -6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.541 -6.915 -7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.311 -8.525 -8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.303 -10.004 -8.777 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.951 -9.422 -8.440 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.037 -8.758 -9.815 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.913 -6.808 -10.023 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.324 -7.806 -10.448 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.558 -6.172 -9.784 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.716 -6.986 -7.838 1.00 0.00 N ATOM 1358 CA ASP A 95 -15.022 -7.264 -7.241 1.00 0.00 C ATOM 1359 C ASP A 95 -15.135 -6.628 -5.853 1.00 0.00 C ATOM 1360 O ASP A 95 -15.809 -7.156 -4.969 1.00 0.00 O ATOM 1361 CB ASP A 95 -15.263 -8.777 -7.159 1.00 0.00 C ATOM 1362 CG ASP A 95 -14.357 -9.405 -6.098 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -13.258 -9.803 -6.446 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -14.780 -9.480 -4.956 1.00 0.00 O ATOM 0 H ASP A 95 -13.752 -6.692 -8.814 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.788 -6.824 -7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -16.307 -8.973 -6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.070 -9.235 -8.129 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.477 -5.481 -5.684 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.505 -4.752 -4.422 1.00 0.00 C ATOM 1371 C GLY A 96 -13.510 -5.280 -3.411 1.00 0.00 C ATOM 1372 O GLY A 96 -13.719 -5.155 -2.204 1.00 0.00 O ATOM 0 H GLY A 96 -13.916 -5.037 -6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.297 -3.699 -4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.508 -4.807 -3.999 1.00 0.00 H new ATOM 1376 N THR A 97 -12.420 -5.864 -3.901 1.00 0.00 N ATOM 1377 CA THR A 97 -11.373 -6.409 -3.030 1.00 0.00 C ATOM 1378 C THR A 97 -10.021 -5.846 -3.440 1.00 0.00 C ATOM 1379 O THR A 97 -9.748 -5.677 -4.624 1.00 0.00 O ATOM 1380 CB THR A 97 -11.316 -7.944 -3.133 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.903 -8.314 -4.441 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.700 -8.528 -2.847 1.00 0.00 C ATOM 0 H THR A 97 -12.235 -5.974 -4.898 1.00 0.00 H new ATOM 0 HA THR A 97 -11.607 -6.127 -2.003 1.00 0.00 H new ATOM 0 HB THR A 97 -10.604 -8.332 -2.404 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.691 -8.439 -5.010 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.659 -9.615 -2.920 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.014 -8.244 -1.843 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.415 -8.142 -3.574 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.171 -5.557 -2.461 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.847 -5.014 -2.750 1.00 0.00 C ATOM 1392 C LEU A 98 -6.877 -6.137 -3.091 1.00 0.00 C ATOM 1393 O LEU A 98 -6.736 -7.100 -2.337 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.317 -4.239 -1.539 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.363 -3.225 -1.050 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.882 -2.597 0.264 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.564 -2.120 -2.103 1.00 0.00 C ATOM 0 H LEU A 98 -9.371 -5.688 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.932 -4.340 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.071 -4.933 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.396 -3.721 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.311 -3.738 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.621 -1.877 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.751 -3.377 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.931 -2.090 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.307 -1.407 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.619 -1.604 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.908 -2.565 -3.037 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.203 -6.003 -4.231 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.235 -7.007 -4.673 1.00 0.00 C ATOM 1411 C LYS A 99 -4.115 -6.340 -5.460 1.00 0.00 C ATOM 1412 O LYS A 99 -4.278 -5.239 -5.984 1.00 0.00 O ATOM 1413 CB LYS A 99 -5.924 -8.064 -5.545 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.839 -8.935 -4.677 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.317 -10.146 -5.483 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.420 -10.877 -4.712 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.611 -12.236 -5.290 1.00 0.00 N ATOM 0 H LYS A 99 -6.308 -5.211 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.814 -7.495 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.505 -7.579 -6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.177 -8.685 -6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.304 -9.267 -3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.695 -8.353 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.692 -9.823 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.483 -10.822 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.153 -10.952 -3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.351 -10.313 -4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.360 -12.733 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.884 -12.153 -6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.723 -12.772 -5.217 1.00 0.00 H new ATOM 1431 N TYR A 100 -2.971 -7.014 -5.523 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.800 -6.495 -6.231 1.00 0.00 C ATOM 1433 C TYR A 100 -1.710 -7.092 -7.634 1.00 0.00 C ATOM 1434 O TYR A 100 -1.977 -8.277 -7.834 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.544 -6.849 -5.429 1.00 0.00 C ATOM 1436 CG TYR A 100 0.701 -6.453 -6.188 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.256 -5.167 -6.014 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.319 -7.376 -7.058 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.431 -4.809 -6.710 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.490 -7.013 -7.758 1.00 0.00 C ATOM 1441 CZ TYR A 100 3.044 -5.727 -7.584 1.00 0.00 C ATOM 1442 OH TYR A 100 4.243 -5.405 -8.184 1.00 0.00 O ATOM 0 H TYR A 100 -2.827 -7.926 -5.090 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.887 -5.413 -6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.566 -6.340 -4.465 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.526 -7.919 -5.224 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.783 -4.459 -5.350 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.896 -8.361 -7.189 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.861 -3.828 -6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.961 -7.719 -8.426 1.00 0.00 H new ATOM 0 HH TYR A 100 4.235 -4.461 -8.446 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.323 -6.259 -8.604 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.185 -6.700 -9.997 1.00 0.00 C ATOM 1454 C GLU A 101 0.153 -6.242 -10.564 1.00 0.00 C ATOM 1455 O GLU A 101 0.324 -6.339 -11.768 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.324 -6.126 -10.850 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.685 -6.375 -10.160 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.806 -6.409 -11.207 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -4.903 -7.404 -11.905 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -5.544 -5.441 -11.292 1.00 0.00 O ATOM 1461 OXT GLU A 101 1.040 -5.966 -9.773 1.00 0.00 O ATOM 0 H GLU A 101 -1.099 -5.276 -8.452 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.232 -7.789 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.174 -5.057 -10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.318 -6.589 -11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.658 -7.318 -9.614 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.881 -5.589 -9.430 1.00 0.00 H new TER 1468 GLU A 101