USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 49 ASN : amide:sc= 0.176 K(o=-3.2,f=-6.3!) USER MOD Set 1.2: A 51 ASN : amide:sc= -3.39! K(o=-3.2!,f=-0.3) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 41 LYS NZ :NH3+ 163:sc= -0.0449 (180deg=-0.52) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.149 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ -141:sc= -0.0608 (180deg=-0.855) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.924 X(o=-0.92,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= -0.154 (180deg=-0.851) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0893 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00245 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= -0.432 (180deg=-1.58!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.689 K(o=-0.69,f=0.04) USER MOD Single : A 33 GLN : amide:sc= -0.533 K(o=-0.53,f=-1.6) USER MOD Single : A 34 ASN : amide:sc= -7.26! C(o=-7.3!,f=-1.1!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 130:sc= -0.0212 USER MOD Single : A 52 SER OG : rot -110:sc= -0.515 USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= -0.0127 (180deg=-0.251) USER MOD Single : A 65 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot -14:sc= 0.568 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.008 -6.286 8.928 1.00 0.00 N ATOM 2 CA MET A 1 8.723 -4.823 8.925 1.00 0.00 C ATOM 3 C MET A 1 7.229 -4.594 8.688 1.00 0.00 C ATOM 4 O MET A 1 6.417 -5.475 8.890 1.00 0.00 O ATOM 5 CB MET A 1 9.528 -4.150 7.811 1.00 0.00 C ATOM 6 CG MET A 1 11.023 -4.323 8.087 1.00 0.00 C ATOM 7 SD MET A 1 11.971 -3.765 6.649 1.00 0.00 S ATOM 8 CE MET A 1 11.502 -2.019 6.729 1.00 0.00 C ATOM 0 H1 MET A 1 9.713 -6.501 9.662 1.00 0.00 H new ATOM 0 H2 MET A 1 8.132 -6.810 9.125 1.00 0.00 H new ATOM 0 H3 MET A 1 9.379 -6.569 7.999 1.00 0.00 H new ATOM 0 HA MET A 1 9.006 -4.395 9.887 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.272 -4.589 6.847 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.278 -3.091 7.756 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.309 -3.750 8.969 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.246 -5.369 8.299 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.263 -1.415 6.235 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.544 -1.876 6.229 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.416 -1.713 7.772 1.00 0.00 H new ATOM 20 N GLU A 2 6.858 -3.417 8.258 1.00 0.00 N ATOM 21 CA GLU A 2 5.416 -3.127 8.006 1.00 0.00 C ATOM 22 C GLU A 2 5.295 -2.074 6.903 1.00 0.00 C ATOM 23 O GLU A 2 5.151 -0.898 7.168 1.00 0.00 O ATOM 24 CB GLU A 2 4.770 -2.598 9.290 1.00 0.00 C ATOM 25 CG GLU A 2 4.750 -3.703 10.348 1.00 0.00 C ATOM 26 CD GLU A 2 3.819 -3.299 11.493 1.00 0.00 C ATOM 27 OE1 GLU A 2 3.833 -2.135 11.858 1.00 0.00 O ATOM 28 OE2 GLU A 2 3.108 -4.160 11.983 1.00 0.00 O ATOM 0 H GLU A 2 7.494 -2.642 8.070 1.00 0.00 H new ATOM 0 HA GLU A 2 4.909 -4.041 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.326 -1.736 9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.755 -2.259 9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.412 -4.640 9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.757 -3.875 10.728 1.00 0.00 H new ATOM 35 N LEU A 3 5.359 -2.490 5.664 1.00 0.00 N ATOM 36 CA LEU A 3 5.254 -1.518 4.532 1.00 0.00 C ATOM 37 C LEU A 3 3.815 -1.496 4.009 1.00 0.00 C ATOM 38 O LEU A 3 3.455 -2.255 3.130 1.00 0.00 O ATOM 39 CB LEU A 3 6.201 -1.954 3.405 1.00 0.00 C ATOM 40 CG LEU A 3 6.176 -0.937 2.250 1.00 0.00 C ATOM 41 CD1 LEU A 3 6.821 0.389 2.687 1.00 0.00 C ATOM 42 CD2 LEU A 3 6.952 -1.516 1.062 1.00 0.00 C ATOM 0 H LEU A 3 5.480 -3.464 5.386 1.00 0.00 H new ATOM 0 HA LEU A 3 5.528 -0.521 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.216 -2.048 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.908 -2.937 3.037 1.00 0.00 H new ATOM 0 HG LEU A 3 5.142 -0.743 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.795 1.097 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.270 0.800 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.856 0.211 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.940 -0.803 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.982 -1.710 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.486 -2.448 0.742 1.00 0.00 H new ATOM 54 N TRP A 4 2.991 -0.626 4.528 1.00 0.00 N ATOM 55 CA TRP A 4 1.582 -0.553 4.044 1.00 0.00 C ATOM 56 C TRP A 4 1.522 0.383 2.836 1.00 0.00 C ATOM 57 O TRP A 4 2.453 1.115 2.561 1.00 0.00 O ATOM 58 CB TRP A 4 0.679 -0.022 5.158 1.00 0.00 C ATOM 59 CG TRP A 4 0.708 -0.976 6.309 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.711 -1.065 7.212 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.281 -1.976 6.694 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.403 -2.052 8.130 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.188 -2.645 7.857 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.532 -2.367 6.156 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.553 -3.666 8.466 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.281 -3.396 6.768 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.791 -4.043 7.921 1.00 0.00 C ATOM 0 H TRP A 4 3.232 0.037 5.265 1.00 0.00 H new ATOM 0 HA TRP A 4 1.238 -1.547 3.757 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.017 0.964 5.478 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.341 0.094 4.792 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.607 -0.463 7.215 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.002 -2.310 8.914 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.915 -1.876 5.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.175 -4.160 9.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.233 -3.689 6.351 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.368 -4.829 8.385 1.00 0.00 H new ATOM 78 N VAL A 5 0.439 0.357 2.103 1.00 0.00 N ATOM 79 CA VAL A 5 0.313 1.235 0.900 1.00 0.00 C ATOM 80 C VAL A 5 -1.102 1.810 0.836 1.00 0.00 C ATOM 81 O VAL A 5 -2.011 1.315 1.472 1.00 0.00 O ATOM 82 CB VAL A 5 0.582 0.403 -0.355 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.527 1.304 -1.588 1.00 0.00 C ATOM 84 CG2 VAL A 5 1.969 -0.236 -0.256 1.00 0.00 C ATOM 0 H VAL A 5 -0.369 -0.238 2.287 1.00 0.00 H new ATOM 0 HA VAL A 5 1.032 2.051 0.962 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.175 -0.377 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.719 0.710 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.460 1.761 -1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.283 2.085 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.161 -0.829 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.724 0.545 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.011 -0.880 0.622 1.00 0.00 H new ATOM 94 N SER A 6 -1.292 2.858 0.070 1.00 0.00 N ATOM 95 CA SER A 6 -2.646 3.488 -0.054 1.00 0.00 C ATOM 96 C SER A 6 -3.196 3.226 -1.474 1.00 0.00 C ATOM 97 O SER A 6 -2.419 3.066 -2.395 1.00 0.00 O ATOM 98 CB SER A 6 -2.500 4.997 0.171 1.00 0.00 C ATOM 99 OG SER A 6 -2.430 5.257 1.567 1.00 0.00 O ATOM 0 H SER A 6 -0.560 3.308 -0.480 1.00 0.00 H new ATOM 0 HA SER A 6 -3.332 3.067 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.602 5.366 -0.325 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.346 5.526 -0.268 1.00 0.00 H new ATOM 0 HG SER A 6 -2.335 6.221 1.716 1.00 0.00 H new ATOM 105 N PRO A 7 -4.509 3.189 -1.629 1.00 0.00 N ATOM 106 CA PRO A 7 -5.119 2.950 -2.954 1.00 0.00 C ATOM 107 C PRO A 7 -4.555 3.931 -3.994 1.00 0.00 C ATOM 108 O PRO A 7 -4.248 3.558 -5.108 1.00 0.00 O ATOM 109 CB PRO A 7 -6.638 3.165 -2.738 1.00 0.00 C ATOM 110 CG PRO A 7 -6.860 3.448 -1.223 1.00 0.00 C ATOM 111 CD PRO A 7 -5.482 3.376 -0.529 1.00 0.00 C ATOM 0 HA PRO A 7 -4.905 1.952 -3.336 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.997 4.000 -3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.198 2.283 -3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.311 4.430 -1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.544 2.717 -0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.274 4.288 0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.440 2.549 0.180 1.00 0.00 H new ATOM 119 N LYS A 8 -4.427 5.182 -3.644 1.00 0.00 N ATOM 120 CA LYS A 8 -3.897 6.176 -4.621 1.00 0.00 C ATOM 121 C LYS A 8 -2.489 5.769 -5.067 1.00 0.00 C ATOM 122 O LYS A 8 -2.043 6.125 -6.140 1.00 0.00 O ATOM 123 CB LYS A 8 -3.855 7.564 -3.972 1.00 0.00 C ATOM 124 CG LYS A 8 -2.800 7.587 -2.859 1.00 0.00 C ATOM 125 CD LYS A 8 -2.936 8.876 -2.022 1.00 0.00 C ATOM 126 CE LYS A 8 -3.988 8.690 -0.921 1.00 0.00 C ATOM 127 NZ LYS A 8 -4.008 9.896 -0.046 1.00 0.00 N ATOM 0 H LYS A 8 -4.666 5.558 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.551 6.206 -5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.621 8.319 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.834 7.814 -3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.919 6.714 -2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.802 7.530 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.975 9.131 -1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.219 9.708 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.971 8.533 -1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.759 7.803 -0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.721 9.771 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.072 10.026 0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.246 10.734 -0.615 1.00 0.00 H new ATOM 141 N GLU A 9 -1.785 5.028 -4.255 1.00 0.00 N ATOM 142 CA GLU A 9 -0.406 4.601 -4.639 1.00 0.00 C ATOM 143 C GLU A 9 -0.483 3.334 -5.492 1.00 0.00 C ATOM 144 O GLU A 9 0.399 3.048 -6.276 1.00 0.00 O ATOM 145 CB GLU A 9 0.407 4.315 -3.377 1.00 0.00 C ATOM 146 CG GLU A 9 0.717 5.631 -2.661 1.00 0.00 C ATOM 147 CD GLU A 9 1.574 5.352 -1.425 1.00 0.00 C ATOM 148 OE1 GLU A 9 1.127 4.598 -0.577 1.00 0.00 O ATOM 149 OE2 GLU A 9 2.663 5.897 -1.349 1.00 0.00 O ATOM 0 H GLU A 9 -2.103 4.699 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 9 0.074 5.395 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.150 3.651 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.333 3.803 -3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.242 6.309 -3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.210 6.125 -2.370 1.00 0.00 H new ATOM 156 N LEU A 10 -1.535 2.575 -5.349 1.00 0.00 N ATOM 157 CA LEU A 10 -1.671 1.329 -6.157 1.00 0.00 C ATOM 158 C LEU A 10 -2.192 1.692 -7.548 1.00 0.00 C ATOM 159 O LEU A 10 -1.992 0.973 -8.506 1.00 0.00 O ATOM 160 CB LEU A 10 -2.668 0.385 -5.476 1.00 0.00 C ATOM 161 CG LEU A 10 -2.151 -0.032 -4.093 1.00 0.00 C ATOM 162 CD1 LEU A 10 -3.237 -0.838 -3.374 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.880 -0.894 -4.234 1.00 0.00 C ATOM 0 H LEU A 10 -2.306 2.763 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.702 0.837 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.635 0.878 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.823 -0.499 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.907 0.861 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.876 -1.138 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.131 -0.225 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.478 -1.726 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.524 -1.182 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.110 -1.789 -4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.106 -0.321 -4.745 1.00 0.00 H new ATOM 175 N ALA A 11 -2.871 2.802 -7.654 1.00 0.00 N ATOM 176 CA ALA A 11 -3.421 3.241 -8.971 1.00 0.00 C ATOM 177 C ALA A 11 -2.293 3.537 -9.973 1.00 0.00 C ATOM 178 O ALA A 11 -2.450 4.368 -10.846 1.00 0.00 O ATOM 179 CB ALA A 11 -4.259 4.505 -8.770 1.00 0.00 C ATOM 0 H ALA A 11 -3.071 3.431 -6.876 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.036 2.436 -9.373 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.663 4.830 -9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.079 4.293 -8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.633 5.294 -8.354 1.00 0.00 H new ATOM 185 N ASN A 12 -1.157 2.889 -9.865 1.00 0.00 N ATOM 186 CA ASN A 12 -0.044 3.177 -10.827 1.00 0.00 C ATOM 187 C ASN A 12 0.767 1.909 -11.118 1.00 0.00 C ATOM 188 O ASN A 12 1.626 1.908 -11.978 1.00 0.00 O ATOM 189 CB ASN A 12 0.880 4.240 -10.226 1.00 0.00 C ATOM 190 CG ASN A 12 0.060 5.474 -9.847 1.00 0.00 C ATOM 191 OD1 ASN A 12 -0.414 5.584 -8.735 1.00 0.00 O ATOM 192 ND2 ASN A 12 -0.127 6.415 -10.732 1.00 0.00 N ATOM 0 H ASN A 12 -0.953 2.180 -9.160 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.475 3.537 -11.761 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.386 3.842 -9.346 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.655 4.511 -10.943 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.671 7.243 -10.489 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.271 6.323 -11.666 1.00 0.00 H new ATOM 199 N LEU A 13 0.508 0.825 -10.435 1.00 0.00 N ATOM 200 CA LEU A 13 1.281 -0.420 -10.721 1.00 0.00 C ATOM 201 C LEU A 13 0.686 -1.075 -11.984 1.00 0.00 C ATOM 202 O LEU A 13 -0.501 -0.956 -12.209 1.00 0.00 O ATOM 203 CB LEU A 13 1.163 -1.384 -9.533 1.00 0.00 C ATOM 204 CG LEU A 13 1.407 -0.635 -8.217 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.562 -1.646 -7.074 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.685 0.208 -8.322 1.00 0.00 C ATOM 0 H LEU A 13 -0.196 0.747 -9.701 1.00 0.00 H new ATOM 0 HA LEU A 13 2.334 -0.185 -10.879 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.173 -1.840 -9.522 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.886 -2.193 -9.639 1.00 0.00 H new ATOM 0 HG LEU A 13 0.559 0.020 -8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.735 -1.114 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.653 -2.242 -6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.408 -2.302 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.850 0.736 -7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.535 -0.443 -8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.579 0.931 -9.131 1.00 0.00 H new ATOM 218 N PRO A 14 1.497 -1.743 -12.787 1.00 0.00 N ATOM 219 CA PRO A 14 0.988 -2.386 -14.016 1.00 0.00 C ATOM 220 C PRO A 14 -0.105 -3.413 -13.675 1.00 0.00 C ATOM 221 O PRO A 14 -1.255 -3.254 -14.033 1.00 0.00 O ATOM 222 CB PRO A 14 2.223 -3.072 -14.651 1.00 0.00 C ATOM 223 CG PRO A 14 3.419 -2.871 -13.676 1.00 0.00 C ATOM 224 CD PRO A 14 2.950 -1.914 -12.558 1.00 0.00 C ATOM 0 HA PRO A 14 0.531 -1.670 -14.699 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.033 -4.133 -14.811 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.445 -2.637 -15.626 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.736 -3.826 -13.256 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.277 -2.454 -14.203 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.148 -2.332 -11.571 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.473 -0.959 -12.610 1.00 0.00 H new ATOM 232 N GLY A 15 0.257 -4.468 -13.000 1.00 0.00 N ATOM 233 CA GLY A 15 -0.742 -5.520 -12.644 1.00 0.00 C ATOM 234 C GLY A 15 -2.033 -4.879 -12.129 1.00 0.00 C ATOM 235 O GLY A 15 -3.118 -5.370 -12.370 1.00 0.00 O ATOM 0 H GLY A 15 1.207 -4.650 -12.677 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.958 -6.136 -13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.328 -6.181 -11.882 1.00 0.00 H new ATOM 239 N LEU A 16 -1.928 -3.789 -11.416 1.00 0.00 N ATOM 240 CA LEU A 16 -3.153 -3.120 -10.878 1.00 0.00 C ATOM 241 C LEU A 16 -3.605 -2.022 -11.866 1.00 0.00 C ATOM 242 O LEU A 16 -2.773 -1.439 -12.530 1.00 0.00 O ATOM 243 CB LEU A 16 -2.805 -2.477 -9.531 1.00 0.00 C ATOM 244 CG LEU A 16 -2.079 -3.492 -8.639 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.870 -2.878 -7.254 1.00 0.00 C ATOM 246 CD2 LEU A 16 -2.918 -4.770 -8.510 1.00 0.00 C ATOM 0 H LEU A 16 -1.047 -3.331 -11.182 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.955 -3.847 -10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.175 -1.602 -9.688 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.713 -2.131 -9.038 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.116 -3.743 -9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.354 -3.593 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.270 -1.973 -7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.837 -2.630 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.396 -5.486 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.884 -4.528 -8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.072 -5.206 -9.497 1.00 0.00 H new ATOM 258 N PRO A 17 -4.898 -1.747 -11.946 1.00 0.00 N ATOM 259 CA PRO A 17 -5.395 -0.700 -12.861 1.00 0.00 C ATOM 260 C PRO A 17 -4.669 0.625 -12.580 1.00 0.00 C ATOM 261 O PRO A 17 -3.842 0.714 -11.695 1.00 0.00 O ATOM 262 CB PRO A 17 -6.912 -0.595 -12.567 1.00 0.00 C ATOM 263 CG PRO A 17 -7.248 -1.646 -11.466 1.00 0.00 C ATOM 264 CD PRO A 17 -5.951 -2.431 -11.161 1.00 0.00 C ATOM 0 HA PRO A 17 -5.215 -0.934 -13.910 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.169 0.409 -12.230 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.492 -0.786 -13.470 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.619 -1.154 -10.567 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.033 -2.321 -11.807 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.722 -2.416 -10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.045 -3.477 -11.453 1.00 0.00 H new ATOM 272 N LYS A 18 -4.972 1.651 -13.333 1.00 0.00 N ATOM 273 CA LYS A 18 -4.303 2.972 -13.122 1.00 0.00 C ATOM 274 C LYS A 18 -5.206 3.882 -12.286 1.00 0.00 C ATOM 275 O LYS A 18 -4.916 5.045 -12.090 1.00 0.00 O ATOM 276 CB LYS A 18 -4.044 3.625 -14.482 1.00 0.00 C ATOM 277 CG LYS A 18 -3.498 2.578 -15.453 1.00 0.00 C ATOM 278 CD LYS A 18 -2.896 3.277 -16.673 1.00 0.00 C ATOM 279 CE LYS A 18 -2.260 2.238 -17.598 1.00 0.00 C ATOM 280 NZ LYS A 18 -3.227 1.132 -17.842 1.00 0.00 N ATOM 0 H LYS A 18 -5.657 1.631 -14.089 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.360 2.822 -12.597 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.967 4.054 -14.873 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.332 4.444 -14.375 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.741 1.969 -14.959 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.296 1.904 -15.764 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.670 3.829 -17.207 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.147 4.003 -16.356 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.976 2.702 -18.543 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.348 1.845 -17.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.964 0.627 -18.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.208 0.471 -17.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.185 1.525 -17.945 1.00 0.00 H new ATOM 294 N THR A 19 -6.302 3.359 -11.793 1.00 0.00 N ATOM 295 CA THR A 19 -7.239 4.186 -10.966 1.00 0.00 C ATOM 296 C THR A 19 -7.603 3.419 -9.694 1.00 0.00 C ATOM 297 O THR A 19 -7.989 2.268 -9.740 1.00 0.00 O ATOM 298 CB THR A 19 -8.510 4.465 -11.773 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.352 3.322 -11.741 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.134 4.785 -13.221 1.00 0.00 C ATOM 0 H THR A 19 -6.590 2.390 -11.928 1.00 0.00 H new ATOM 0 HA THR A 19 -6.760 5.128 -10.699 1.00 0.00 H new ATOM 0 HB THR A 19 -9.037 5.315 -11.339 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.166 3.501 -12.256 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.038 4.984 -13.796 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.489 5.663 -13.244 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.606 3.936 -13.656 1.00 0.00 H new ATOM 308 N SER A 20 -7.481 4.048 -8.558 1.00 0.00 N ATOM 309 CA SER A 20 -7.816 3.357 -7.281 1.00 0.00 C ATOM 310 C SER A 20 -9.220 2.758 -7.380 1.00 0.00 C ATOM 311 O SER A 20 -9.517 1.746 -6.778 1.00 0.00 O ATOM 312 CB SER A 20 -7.770 4.364 -6.131 1.00 0.00 C ATOM 313 OG SER A 20 -8.411 5.566 -6.534 1.00 0.00 O ATOM 0 H SER A 20 -7.163 5.012 -8.459 1.00 0.00 H new ATOM 0 HA SER A 20 -7.094 2.561 -7.096 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.264 3.952 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.736 4.566 -5.850 1.00 0.00 H new ATOM 0 HG SER A 20 -8.385 6.213 -5.799 1.00 0.00 H new ATOM 319 N ALA A 21 -10.086 3.374 -8.136 1.00 0.00 N ATOM 320 CA ALA A 21 -11.467 2.835 -8.271 1.00 0.00 C ATOM 321 C ALA A 21 -11.395 1.367 -8.688 1.00 0.00 C ATOM 322 O ALA A 21 -12.117 0.530 -8.184 1.00 0.00 O ATOM 323 CB ALA A 21 -12.225 3.633 -9.333 1.00 0.00 C ATOM 0 H ALA A 21 -9.897 4.225 -8.665 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.988 2.919 -7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.236 3.238 -9.432 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.272 4.681 -9.036 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.708 3.549 -10.289 1.00 0.00 H new ATOM 329 N GLY A 22 -10.523 1.048 -9.602 1.00 0.00 N ATOM 330 CA GLY A 22 -10.396 -0.366 -10.049 1.00 0.00 C ATOM 331 C GLY A 22 -9.715 -1.183 -8.952 1.00 0.00 C ATOM 332 O GLY A 22 -10.045 -2.327 -8.721 1.00 0.00 O ATOM 0 H GLY A 22 -9.892 1.706 -10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.380 -0.780 -10.269 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.816 -0.418 -10.970 1.00 0.00 H new ATOM 336 N VAL A 23 -8.768 -0.601 -8.269 1.00 0.00 N ATOM 337 CA VAL A 23 -8.068 -1.345 -7.183 1.00 0.00 C ATOM 338 C VAL A 23 -9.056 -1.648 -6.057 1.00 0.00 C ATOM 339 O VAL A 23 -9.355 -2.791 -5.772 1.00 0.00 O ATOM 340 CB VAL A 23 -6.924 -0.492 -6.634 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.155 -1.288 -5.579 1.00 0.00 C ATOM 342 CG2 VAL A 23 -5.980 -0.111 -7.776 1.00 0.00 C ATOM 0 H VAL A 23 -8.449 0.357 -8.415 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.669 -2.277 -7.582 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.329 0.413 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.339 -0.680 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.828 -1.559 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.749 -2.193 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.164 0.497 -7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.574 -1.015 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.529 0.457 -8.527 1.00 0.00 H new ATOM 352 N ILE A 24 -9.568 -0.634 -5.413 1.00 0.00 N ATOM 353 CA ILE A 24 -10.538 -0.869 -4.307 1.00 0.00 C ATOM 354 C ILE A 24 -11.626 -1.832 -4.791 1.00 0.00 C ATOM 355 O ILE A 24 -12.038 -2.724 -4.079 1.00 0.00 O ATOM 356 CB ILE A 24 -11.157 0.467 -3.881 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.029 1.447 -3.533 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.050 0.259 -2.652 1.00 0.00 C ATOM 359 CD1 ILE A 24 -10.610 2.730 -2.930 1.00 0.00 C ATOM 0 H ILE A 24 -9.356 0.345 -5.605 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.029 -1.309 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.761 0.867 -4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.340 0.984 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.455 1.685 -4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.487 1.212 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.846 -0.445 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.453 -0.139 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.800 3.417 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.280 3.199 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.164 2.487 -2.023 1.00 0.00 H new ATOM 371 N TYR A 25 -12.083 -1.668 -6.004 1.00 0.00 N ATOM 372 CA TYR A 25 -13.130 -2.588 -6.530 1.00 0.00 C ATOM 373 C TYR A 25 -12.577 -4.015 -6.538 1.00 0.00 C ATOM 374 O TYR A 25 -13.261 -4.963 -6.208 1.00 0.00 O ATOM 375 CB TYR A 25 -13.504 -2.175 -7.955 1.00 0.00 C ATOM 376 CG TYR A 25 -14.528 -3.137 -8.507 1.00 0.00 C ATOM 377 CD1 TYR A 25 -15.887 -2.992 -8.165 1.00 0.00 C ATOM 378 CD2 TYR A 25 -14.126 -4.179 -9.364 1.00 0.00 C ATOM 379 CE1 TYR A 25 -16.842 -3.889 -8.680 1.00 0.00 C ATOM 380 CE2 TYR A 25 -15.082 -5.076 -9.879 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.439 -4.931 -9.537 1.00 0.00 C ATOM 382 OH TYR A 25 -17.377 -5.810 -10.043 1.00 0.00 O ATOM 0 H TYR A 25 -11.778 -0.940 -6.650 1.00 0.00 H new ATOM 0 HA TYR A 25 -14.017 -2.539 -5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.904 -1.161 -7.958 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.617 -2.169 -8.588 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.196 -2.193 -7.508 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.084 -4.291 -9.627 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.884 -3.778 -8.418 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.773 -5.875 -10.537 1.00 0.00 H new ATOM 0 HH TYR A 25 -16.932 -6.468 -10.618 1.00 0.00 H new ATOM 392 N VAL A 26 -11.334 -4.165 -6.905 1.00 0.00 N ATOM 393 CA VAL A 26 -10.713 -5.519 -6.932 1.00 0.00 C ATOM 394 C VAL A 26 -10.435 -5.967 -5.495 1.00 0.00 C ATOM 395 O VAL A 26 -10.422 -7.144 -5.194 1.00 0.00 O ATOM 396 CB VAL A 26 -9.398 -5.451 -7.722 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.611 -6.752 -7.543 1.00 0.00 C ATOM 398 CG2 VAL A 26 -9.702 -5.237 -9.213 1.00 0.00 C ATOM 0 H VAL A 26 -10.718 -3.403 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.384 -6.233 -7.410 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.802 -4.618 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.680 -6.695 -8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.387 -6.899 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.205 -7.590 -7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.767 -5.189 -9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.304 -6.066 -9.584 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.250 -4.304 -9.342 1.00 0.00 H new ATOM 408 N ALA A 27 -10.222 -5.038 -4.602 1.00 0.00 N ATOM 409 CA ALA A 27 -9.955 -5.420 -3.188 1.00 0.00 C ATOM 410 C ALA A 27 -11.047 -6.386 -2.726 1.00 0.00 C ATOM 411 O ALA A 27 -10.830 -7.229 -1.882 1.00 0.00 O ATOM 412 CB ALA A 27 -9.963 -4.172 -2.304 1.00 0.00 C ATOM 0 H ALA A 27 -10.222 -4.036 -4.791 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.979 -5.899 -3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.767 -4.457 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.191 -3.481 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.937 -3.687 -2.368 1.00 0.00 H new ATOM 418 N LYS A 28 -12.219 -6.275 -3.286 1.00 0.00 N ATOM 419 CA LYS A 28 -13.319 -7.196 -2.893 1.00 0.00 C ATOM 420 C LYS A 28 -13.027 -8.583 -3.467 1.00 0.00 C ATOM 421 O LYS A 28 -13.251 -9.592 -2.828 1.00 0.00 O ATOM 422 CB LYS A 28 -14.650 -6.674 -3.450 1.00 0.00 C ATOM 423 CG LYS A 28 -15.183 -5.551 -2.554 1.00 0.00 C ATOM 424 CD LYS A 28 -14.129 -4.449 -2.430 1.00 0.00 C ATOM 425 CE LYS A 28 -14.777 -3.183 -1.864 1.00 0.00 C ATOM 426 NZ LYS A 28 -13.715 -2.247 -1.399 1.00 0.00 N ATOM 0 H LYS A 28 -12.462 -5.586 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.387 -7.253 -1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.510 -6.305 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.376 -7.485 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.103 -5.143 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.430 -5.945 -1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.319 -4.778 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.689 -4.240 -3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.391 -2.704 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.439 -3.439 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.073 -1.271 -1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.446 -2.484 -0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.883 -2.331 -2.017 1.00 0.00 H new ATOM 440 N LYS A 29 -12.529 -8.638 -4.672 1.00 0.00 N ATOM 441 CA LYS A 29 -12.221 -9.957 -5.293 1.00 0.00 C ATOM 442 C LYS A 29 -11.095 -10.643 -4.516 1.00 0.00 C ATOM 443 O LYS A 29 -10.681 -11.738 -4.841 1.00 0.00 O ATOM 444 CB LYS A 29 -11.792 -9.756 -6.749 1.00 0.00 C ATOM 445 CG LYS A 29 -12.961 -9.182 -7.568 1.00 0.00 C ATOM 446 CD LYS A 29 -12.759 -9.482 -9.059 1.00 0.00 C ATOM 447 CE LYS A 29 -11.349 -9.069 -9.488 1.00 0.00 C ATOM 448 NZ LYS A 29 -11.295 -8.952 -10.972 1.00 0.00 N ATOM 0 H LYS A 29 -12.322 -7.826 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.113 -10.583 -5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.938 -9.080 -6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.470 -10.706 -7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.901 -9.615 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.030 -8.105 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.909 -10.545 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.500 -8.945 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.081 -8.118 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.623 -9.805 -9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.337 -8.671 -11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.533 -9.869 -11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.977 -8.234 -11.289 1.00 0.00 H new ATOM 462 N GLN A 30 -10.597 -10.009 -3.487 1.00 0.00 N ATOM 463 CA GLN A 30 -9.498 -10.622 -2.683 1.00 0.00 C ATOM 464 C GLN A 30 -9.579 -10.101 -1.248 1.00 0.00 C ATOM 465 O GLN A 30 -9.923 -10.823 -0.333 1.00 0.00 O ATOM 466 CB GLN A 30 -8.146 -10.238 -3.289 1.00 0.00 C ATOM 467 CG GLN A 30 -8.023 -10.841 -4.689 1.00 0.00 C ATOM 468 CD GLN A 30 -6.569 -10.755 -5.157 1.00 0.00 C ATOM 469 OE1 GLN A 30 -5.845 -11.729 -5.112 1.00 0.00 O ATOM 470 NE2 GLN A 30 -6.107 -9.620 -5.608 1.00 0.00 N ATOM 0 H GLN A 30 -10.905 -9.090 -3.168 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.600 -11.707 -2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.054 -9.153 -3.340 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.336 -10.598 -2.654 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.352 -11.880 -4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.672 -10.308 -5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.714 -8.801 -5.646 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.139 -9.552 -5.922 1.00 0.00 H new ATOM 479 N GLY A 31 -9.271 -8.847 -1.047 1.00 0.00 N ATOM 480 CA GLY A 31 -9.337 -8.262 0.327 1.00 0.00 C ATOM 481 C GLY A 31 -7.955 -8.313 0.978 1.00 0.00 C ATOM 482 O GLY A 31 -7.793 -8.827 2.068 1.00 0.00 O ATOM 0 H GLY A 31 -8.975 -8.199 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.688 -7.231 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.055 -8.814 0.933 1.00 0.00 H new ATOM 486 N TRP A 32 -6.956 -7.781 0.328 1.00 0.00 N ATOM 487 CA TRP A 32 -5.593 -7.802 0.927 1.00 0.00 C ATOM 488 C TRP A 32 -5.660 -7.256 2.354 1.00 0.00 C ATOM 489 O TRP A 32 -6.454 -6.391 2.662 1.00 0.00 O ATOM 490 CB TRP A 32 -4.644 -6.928 0.102 1.00 0.00 C ATOM 491 CG TRP A 32 -4.763 -7.267 -1.347 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.555 -8.493 -1.879 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.073 -6.384 -2.462 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.742 -8.427 -3.249 1.00 0.00 N ATOM 495 CE2 TRP A 32 -5.058 -7.147 -3.660 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.372 -5.005 -2.549 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.327 -6.562 -4.904 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.643 -4.410 -3.801 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.620 -5.188 -4.976 1.00 0.00 C ATOM 0 H TRP A 32 -7.025 -7.335 -0.587 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.223 -8.827 0.936 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.879 -5.875 0.258 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.617 -7.078 0.435 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.286 -9.380 -1.325 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.657 -9.226 -3.878 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.393 -4.403 -1.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.310 -7.162 -5.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -5.869 -3.355 -3.858 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.827 -4.729 -5.932 1.00 0.00 H new ATOM 510 N GLN A 33 -4.825 -7.749 3.227 1.00 0.00 N ATOM 511 CA GLN A 33 -4.833 -7.253 4.632 1.00 0.00 C ATOM 512 C GLN A 33 -4.798 -5.721 4.618 1.00 0.00 C ATOM 513 O GLN A 33 -3.751 -5.115 4.546 1.00 0.00 O ATOM 514 CB GLN A 33 -3.601 -7.809 5.361 1.00 0.00 C ATOM 515 CG GLN A 33 -3.417 -7.121 6.718 1.00 0.00 C ATOM 516 CD GLN A 33 -4.726 -7.153 7.507 1.00 0.00 C ATOM 517 OE1 GLN A 33 -5.491 -8.092 7.407 1.00 0.00 O ATOM 518 NE2 GLN A 33 -5.010 -6.158 8.299 1.00 0.00 N ATOM 0 H GLN A 33 -4.137 -8.475 3.028 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.734 -7.583 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.712 -8.884 5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.712 -7.659 4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.630 -7.621 7.284 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.098 -6.089 6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.366 -5.371 8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.876 -6.166 8.837 1.00 0.00 H new ATOM 527 N ASN A 34 -5.946 -5.089 4.672 1.00 0.00 N ATOM 528 CA ASN A 34 -5.995 -3.592 4.653 1.00 0.00 C ATOM 529 C ASN A 34 -6.258 -3.066 6.065 1.00 0.00 C ATOM 530 O ASN A 34 -7.282 -3.340 6.659 1.00 0.00 O ATOM 531 CB ASN A 34 -7.125 -3.137 3.724 1.00 0.00 C ATOM 532 CG ASN A 34 -8.383 -3.961 4.005 1.00 0.00 C ATOM 533 OD1 ASN A 34 -9.348 -3.885 3.271 1.00 0.00 O ATOM 534 ND2 ASN A 34 -8.414 -4.749 5.045 1.00 0.00 N ATOM 0 H ASN A 34 -6.855 -5.548 4.729 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.042 -3.202 4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.330 -2.077 3.876 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.824 -3.257 2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.249 -5.301 5.242 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.604 -4.813 5.661 1.00 0.00 H new ATOM 541 N ARG A 35 -5.342 -2.308 6.608 1.00 0.00 N ATOM 542 CA ARG A 35 -5.542 -1.761 7.984 1.00 0.00 C ATOM 543 C ARG A 35 -6.293 -0.430 7.911 1.00 0.00 C ATOM 544 O ARG A 35 -5.827 0.527 7.327 1.00 0.00 O ATOM 545 CB ARG A 35 -4.181 -1.538 8.648 1.00 0.00 C ATOM 546 CG ARG A 35 -4.379 -0.863 10.009 1.00 0.00 C ATOM 547 CD ARG A 35 -3.098 -0.990 10.837 1.00 0.00 C ATOM 548 NE ARG A 35 -3.331 -0.437 12.201 1.00 0.00 N ATOM 549 CZ ARG A 35 -2.497 -0.713 13.167 1.00 0.00 C ATOM 550 NH1 ARG A 35 -1.463 -1.476 12.938 1.00 0.00 N ATOM 551 NH2 ARG A 35 -2.698 -0.226 14.361 1.00 0.00 N ATOM 0 H ARG A 35 -4.465 -2.044 6.160 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.125 -2.472 8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.666 -2.490 8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.551 -0.917 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.632 0.188 9.871 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.213 -1.325 10.537 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.797 -2.036 10.903 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.283 -0.454 10.350 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.141 0.156 12.380 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.307 -1.856 12.005 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.811 -1.692 13.692 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.506 0.370 14.539 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.047 -0.441 15.116 1.00 0.00 H new ATOM 565 N THR A 36 -7.454 -0.358 8.509 1.00 0.00 N ATOM 566 CA THR A 36 -8.236 0.915 8.487 1.00 0.00 C ATOM 567 C THR A 36 -7.905 1.720 9.746 1.00 0.00 C ATOM 568 O THR A 36 -8.046 1.240 10.855 1.00 0.00 O ATOM 569 CB THR A 36 -9.732 0.592 8.454 1.00 0.00 C ATOM 570 OG1 THR A 36 -10.056 -0.009 7.208 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.544 1.877 8.629 1.00 0.00 C ATOM 0 H THR A 36 -7.895 -1.127 9.013 1.00 0.00 H new ATOM 0 HA THR A 36 -7.978 1.497 7.602 1.00 0.00 H new ATOM 0 HB THR A 36 -9.971 -0.095 9.265 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.013 -0.218 7.185 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.608 1.641 8.605 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.296 2.337 9.586 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.307 2.570 7.821 1.00 0.00 H new ATOM 579 N ARG A 37 -7.452 2.936 9.586 1.00 0.00 N ATOM 580 CA ARG A 37 -7.095 3.770 10.774 1.00 0.00 C ATOM 581 C ARG A 37 -8.313 4.571 11.239 1.00 0.00 C ATOM 582 O ARG A 37 -8.788 4.404 12.344 1.00 0.00 O ATOM 583 CB ARG A 37 -5.959 4.729 10.387 1.00 0.00 C ATOM 584 CG ARG A 37 -5.720 5.760 11.501 1.00 0.00 C ATOM 585 CD ARG A 37 -5.582 5.054 12.852 1.00 0.00 C ATOM 586 NE ARG A 37 -4.919 5.968 13.823 1.00 0.00 N ATOM 587 CZ ARG A 37 -4.964 5.707 15.101 1.00 0.00 C ATOM 588 NH1 ARG A 37 -5.589 4.645 15.528 1.00 0.00 N ATOM 589 NH2 ARG A 37 -4.383 6.509 15.951 1.00 0.00 N ATOM 0 H ARG A 37 -7.313 3.389 8.683 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.771 3.123 11.589 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.045 4.164 10.204 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.208 5.241 9.457 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.818 6.334 11.288 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.548 6.468 11.535 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.564 4.761 13.224 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.998 4.140 12.739 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.430 6.798 13.489 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.043 4.018 14.863 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.624 4.441 16.527 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.894 7.339 15.616 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.418 6.306 16.950 1.00 0.00 H new ATOM 603 N ALA A 38 -8.806 5.447 10.410 1.00 0.00 N ATOM 604 CA ALA A 38 -9.986 6.278 10.798 1.00 0.00 C ATOM 605 C ALA A 38 -9.522 7.388 11.746 1.00 0.00 C ATOM 606 O ALA A 38 -9.534 7.241 12.952 1.00 0.00 O ATOM 607 CB ALA A 38 -11.053 5.398 11.476 1.00 0.00 C ATOM 0 H ALA A 38 -8.442 5.626 9.474 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.430 6.726 9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.909 6.013 11.755 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.376 4.620 10.785 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.631 4.937 12.369 1.00 0.00 H new ATOM 613 N GLY A 39 -9.108 8.499 11.201 1.00 0.00 N ATOM 614 CA GLY A 39 -8.634 9.626 12.053 1.00 0.00 C ATOM 615 C GLY A 39 -7.660 10.486 11.245 1.00 0.00 C ATOM 616 O GLY A 39 -7.359 11.607 11.604 1.00 0.00 O ATOM 0 H GLY A 39 -9.078 8.675 10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.480 10.227 12.386 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.144 9.241 12.947 1.00 0.00 H new ATOM 620 N VAL A 40 -7.170 9.966 10.152 1.00 0.00 N ATOM 621 CA VAL A 40 -6.220 10.745 9.313 1.00 0.00 C ATOM 622 C VAL A 40 -6.976 11.885 8.631 1.00 0.00 C ATOM 623 O VAL A 40 -6.817 13.041 8.969 1.00 0.00 O ATOM 624 CB VAL A 40 -5.613 9.821 8.251 1.00 0.00 C ATOM 625 CG1 VAL A 40 -4.350 10.459 7.670 1.00 0.00 C ATOM 626 CG2 VAL A 40 -5.256 8.477 8.893 1.00 0.00 C ATOM 0 H VAL A 40 -7.389 9.032 9.805 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.424 11.156 9.934 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.337 9.665 7.451 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.923 9.798 6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.603 11.416 7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.623 10.618 8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.824 7.818 8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.533 8.637 9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.156 8.019 9.303 1.00 0.00 H new ATOM 636 N LYS A 41 -7.802 11.561 7.675 1.00 0.00 N ATOM 637 CA LYS A 41 -8.590 12.609 6.957 1.00 0.00 C ATOM 638 C LYS A 41 -10.009 12.644 7.524 1.00 0.00 C ATOM 639 O LYS A 41 -10.809 13.490 7.177 1.00 0.00 O ATOM 640 CB LYS A 41 -8.648 12.270 5.466 1.00 0.00 C ATOM 641 CG LYS A 41 -7.241 11.940 4.963 1.00 0.00 C ATOM 642 CD LYS A 41 -7.235 11.931 3.433 1.00 0.00 C ATOM 643 CE LYS A 41 -5.805 11.734 2.929 1.00 0.00 C ATOM 644 NZ LYS A 41 -5.254 10.465 3.482 1.00 0.00 N ATOM 0 H LYS A 41 -7.968 10.607 7.356 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.115 13.581 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.313 11.422 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.058 13.111 4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.528 12.676 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.925 10.969 5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.876 11.132 3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.640 12.868 3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.793 11.704 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.182 12.576 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.418 10.181 2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.983 10.608 4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.976 9.719 3.424 1.00 0.00 H new ATOM 658 N GLY A 42 -10.329 11.725 8.395 1.00 0.00 N ATOM 659 CA GLY A 42 -11.696 11.698 8.987 1.00 0.00 C ATOM 660 C GLY A 42 -12.658 11.014 8.014 1.00 0.00 C ATOM 661 O GLY A 42 -13.691 11.553 7.667 1.00 0.00 O ATOM 0 H GLY A 42 -9.701 10.991 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.682 11.164 9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.034 12.713 9.196 1.00 0.00 H new ATOM 665 N GLY A 43 -12.329 9.831 7.571 1.00 0.00 N ATOM 666 CA GLY A 43 -13.229 9.118 6.621 1.00 0.00 C ATOM 667 C GLY A 43 -12.759 7.672 6.448 1.00 0.00 C ATOM 668 O GLY A 43 -12.819 7.118 5.369 1.00 0.00 O ATOM 0 H GLY A 43 -11.478 9.329 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.253 9.135 6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.232 9.627 5.657 1.00 0.00 H new ATOM 672 N LYS A 44 -12.293 7.056 7.501 1.00 0.00 N ATOM 673 CA LYS A 44 -11.824 5.645 7.393 1.00 0.00 C ATOM 674 C LYS A 44 -10.786 5.534 6.277 1.00 0.00 C ATOM 675 O LYS A 44 -11.119 5.366 5.120 1.00 0.00 O ATOM 676 CB LYS A 44 -13.013 4.733 7.078 1.00 0.00 C ATOM 677 CG LYS A 44 -14.119 4.963 8.114 1.00 0.00 C ATOM 678 CD LYS A 44 -15.238 3.926 7.931 1.00 0.00 C ATOM 679 CE LYS A 44 -16.134 4.319 6.750 1.00 0.00 C ATOM 680 NZ LYS A 44 -17.320 3.417 6.709 1.00 0.00 N ATOM 0 H LYS A 44 -12.217 7.469 8.431 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.373 5.341 8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.389 4.940 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.699 3.689 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.706 4.890 9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.524 5.969 8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.806 2.940 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.833 3.857 8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.455 5.356 6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.576 4.248 5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.930 3.681 5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.004 2.433 6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.855 3.507 7.596 1.00 0.00 H new ATOM 694 N ALA A 45 -9.528 5.620 6.614 1.00 0.00 N ATOM 695 CA ALA A 45 -8.467 5.514 5.573 1.00 0.00 C ATOM 696 C ALA A 45 -8.161 4.035 5.324 1.00 0.00 C ATOM 697 O ALA A 45 -7.673 3.339 6.191 1.00 0.00 O ATOM 698 CB ALA A 45 -7.202 6.222 6.062 1.00 0.00 C ATOM 0 H ALA A 45 -9.189 5.759 7.566 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.807 5.981 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.425 6.145 5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.423 7.273 6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.856 5.753 6.983 1.00 0.00 H new ATOM 704 N ILE A 46 -8.456 3.548 4.149 1.00 0.00 N ATOM 705 CA ILE A 46 -8.199 2.109 3.844 1.00 0.00 C ATOM 706 C ILE A 46 -6.760 1.936 3.351 1.00 0.00 C ATOM 707 O ILE A 46 -6.399 2.397 2.287 1.00 0.00 O ATOM 708 CB ILE A 46 -9.163 1.646 2.745 1.00 0.00 C ATOM 709 CG1 ILE A 46 -10.628 1.841 3.203 1.00 0.00 C ATOM 710 CG2 ILE A 46 -8.890 0.177 2.399 1.00 0.00 C ATOM 711 CD1 ILE A 46 -11.105 0.672 4.082 1.00 0.00 C ATOM 0 H ILE A 46 -8.865 4.085 3.385 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.349 1.516 4.746 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.004 2.248 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.715 2.775 3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -11.275 1.928 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.578 -0.147 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.864 0.071 2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.034 -0.439 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.138 0.843 4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.042 -0.258 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.474 0.602 4.968 1.00 0.00 H new ATOM 723 N GLU A 47 -5.940 1.267 4.118 1.00 0.00 N ATOM 724 CA GLU A 47 -4.520 1.046 3.707 1.00 0.00 C ATOM 725 C GLU A 47 -4.379 -0.368 3.136 1.00 0.00 C ATOM 726 O GLU A 47 -5.306 -1.150 3.168 1.00 0.00 O ATOM 727 CB GLU A 47 -3.613 1.191 4.935 1.00 0.00 C ATOM 728 CG GLU A 47 -3.406 2.675 5.249 1.00 0.00 C ATOM 729 CD GLU A 47 -2.661 2.817 6.577 1.00 0.00 C ATOM 730 OE1 GLU A 47 -1.571 2.281 6.683 1.00 0.00 O ATOM 731 OE2 GLU A 47 -3.194 3.461 7.466 1.00 0.00 O ATOM 0 H GLU A 47 -6.194 0.861 5.018 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.234 1.778 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.060 0.687 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.652 0.711 4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.839 3.151 4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.368 3.184 5.304 1.00 0.00 H new ATOM 738 N TYR A 48 -3.224 -0.698 2.613 1.00 0.00 N ATOM 739 CA TYR A 48 -3.009 -2.065 2.037 1.00 0.00 C ATOM 740 C TYR A 48 -1.658 -2.610 2.507 1.00 0.00 C ATOM 741 O TYR A 48 -0.636 -1.975 2.357 1.00 0.00 O ATOM 742 CB TYR A 48 -3.024 -1.981 0.510 1.00 0.00 C ATOM 743 CG TYR A 48 -4.419 -1.636 0.043 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.463 -2.569 0.202 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.678 -0.383 -0.546 1.00 0.00 C ATOM 746 CE1 TYR A 48 -6.765 -2.248 -0.230 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.980 -0.064 -0.976 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.023 -0.996 -0.819 1.00 0.00 C ATOM 749 OH TYR A 48 -8.299 -0.682 -1.242 1.00 0.00 O ATOM 0 H TYR A 48 -2.416 -0.078 2.559 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.804 -2.731 2.372 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.317 -1.225 0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.708 -2.931 0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.265 -3.529 0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.878 0.333 -0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.565 -2.963 -0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.179 0.897 -1.427 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.556 0.194 -0.885 1.00 0.00 H new ATOM 759 N ASN A 49 -1.645 -3.784 3.073 1.00 0.00 N ATOM 760 CA ASN A 49 -0.360 -4.365 3.552 1.00 0.00 C ATOM 761 C ASN A 49 0.444 -4.862 2.346 1.00 0.00 C ATOM 762 O ASN A 49 0.047 -5.782 1.658 1.00 0.00 O ATOM 763 CB ASN A 49 -0.664 -5.533 4.498 1.00 0.00 C ATOM 764 CG ASN A 49 0.545 -5.826 5.386 1.00 0.00 C ATOM 765 OD1 ASN A 49 1.665 -5.876 4.917 1.00 0.00 O ATOM 766 ND2 ASN A 49 0.360 -6.024 6.663 1.00 0.00 N ATOM 0 H ASN A 49 -2.468 -4.366 3.225 1.00 0.00 H new ATOM 0 HA ASN A 49 0.221 -3.612 4.084 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.528 -5.293 5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.922 -6.420 3.920 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.156 -6.221 7.269 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.581 -5.982 7.055 1.00 0.00 H new ATOM 773 N ALA A 50 1.563 -4.249 2.078 1.00 0.00 N ATOM 774 CA ALA A 50 2.389 -4.670 0.910 1.00 0.00 C ATOM 775 C ALA A 50 2.685 -6.170 0.985 1.00 0.00 C ATOM 776 O ALA A 50 2.917 -6.814 -0.017 1.00 0.00 O ATOM 777 CB ALA A 50 3.708 -3.896 0.917 1.00 0.00 C ATOM 0 H ALA A 50 1.943 -3.472 2.619 1.00 0.00 H new ATOM 0 HA ALA A 50 1.839 -4.460 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.314 -4.202 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.503 -2.827 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.248 -4.106 1.840 1.00 0.00 H new ATOM 783 N ASN A 51 2.685 -6.730 2.161 1.00 0.00 N ATOM 784 CA ASN A 51 2.975 -8.187 2.290 1.00 0.00 C ATOM 785 C ASN A 51 1.809 -8.999 1.725 1.00 0.00 C ATOM 786 O ASN A 51 1.964 -10.144 1.347 1.00 0.00 O ATOM 787 CB ASN A 51 3.171 -8.537 3.766 1.00 0.00 C ATOM 788 CG ASN A 51 4.350 -7.741 4.328 1.00 0.00 C ATOM 789 OD1 ASN A 51 5.314 -8.311 4.799 1.00 0.00 O ATOM 790 ND2 ASN A 51 4.314 -6.437 4.300 1.00 0.00 N ATOM 0 H ASN A 51 2.497 -6.244 3.038 1.00 0.00 H new ATOM 0 HA ASN A 51 3.882 -8.425 1.733 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.265 -8.310 4.328 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.355 -9.606 3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.095 -5.897 4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.505 -5.958 3.905 1.00 0.00 H new ATOM 797 N SER A 52 0.638 -8.422 1.668 1.00 0.00 N ATOM 798 CA SER A 52 -0.541 -9.167 1.135 1.00 0.00 C ATOM 799 C SER A 52 -0.666 -8.946 -0.378 1.00 0.00 C ATOM 800 O SER A 52 -1.344 -9.685 -1.063 1.00 0.00 O ATOM 801 CB SER A 52 -1.807 -8.666 1.828 1.00 0.00 C ATOM 802 OG SER A 52 -1.816 -9.125 3.173 1.00 0.00 O ATOM 0 H SER A 52 0.446 -7.466 1.968 1.00 0.00 H new ATOM 0 HA SER A 52 -0.409 -10.232 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.843 -7.577 1.803 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.691 -9.027 1.302 1.00 0.00 H new ATOM 0 HG SER A 52 -2.516 -9.802 3.283 1.00 0.00 H new ATOM 808 N LEU A 53 -0.022 -7.939 -0.909 1.00 0.00 N ATOM 809 CA LEU A 53 -0.120 -7.693 -2.377 1.00 0.00 C ATOM 810 C LEU A 53 0.574 -8.849 -3.128 1.00 0.00 C ATOM 811 O LEU A 53 1.526 -9.404 -2.616 1.00 0.00 O ATOM 812 CB LEU A 53 0.587 -6.373 -2.723 1.00 0.00 C ATOM 813 CG LEU A 53 -0.129 -5.186 -2.062 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.626 -3.896 -2.407 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.581 -5.080 -2.573 1.00 0.00 C ATOM 0 H LEU A 53 0.563 -7.281 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.168 -7.634 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.624 -6.411 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.606 -6.237 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.148 -5.336 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.126 -3.046 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.649 -3.963 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.641 -3.761 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.074 -4.234 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.577 -4.934 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.119 -5.997 -2.333 1.00 0.00 H new ATOM 827 N PRO A 54 0.105 -9.188 -4.319 1.00 0.00 N ATOM 828 CA PRO A 54 0.728 -10.277 -5.098 1.00 0.00 C ATOM 829 C PRO A 54 2.208 -9.952 -5.350 1.00 0.00 C ATOM 830 O PRO A 54 2.798 -9.135 -4.673 1.00 0.00 O ATOM 831 CB PRO A 54 -0.072 -10.334 -6.423 1.00 0.00 C ATOM 832 CG PRO A 54 -1.113 -9.177 -6.388 1.00 0.00 C ATOM 833 CD PRO A 54 -1.052 -8.540 -4.983 1.00 0.00 C ATOM 0 HA PRO A 54 0.702 -11.236 -4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.594 -10.225 -7.279 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.572 -11.297 -6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.888 -8.436 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.114 -9.556 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.918 -7.460 -5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.974 -8.716 -4.429 1.00 0.00 H new ATOM 841 N VAL A 55 2.807 -10.589 -6.322 1.00 0.00 N ATOM 842 CA VAL A 55 4.244 -10.324 -6.627 1.00 0.00 C ATOM 843 C VAL A 55 4.344 -9.240 -7.702 1.00 0.00 C ATOM 844 O VAL A 55 5.233 -8.413 -7.682 1.00 0.00 O ATOM 845 CB VAL A 55 4.894 -11.606 -7.145 1.00 0.00 C ATOM 846 CG1 VAL A 55 6.397 -11.384 -7.321 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.659 -12.737 -6.141 1.00 0.00 C ATOM 0 H VAL A 55 2.361 -11.284 -6.920 1.00 0.00 H new ATOM 0 HA VAL A 55 4.754 -9.991 -5.723 1.00 0.00 H new ATOM 0 HB VAL A 55 4.453 -11.874 -8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.859 -12.299 -7.691 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.565 -10.579 -8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.840 -11.116 -6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.122 -13.652 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.099 -12.468 -5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.588 -12.897 -6.017 1.00 0.00 H new ATOM 857 N GLU A 56 3.439 -9.242 -8.642 1.00 0.00 N ATOM 858 CA GLU A 56 3.485 -8.215 -9.720 1.00 0.00 C ATOM 859 C GLU A 56 3.395 -6.821 -9.095 1.00 0.00 C ATOM 860 O GLU A 56 4.058 -5.896 -9.522 1.00 0.00 O ATOM 861 CB GLU A 56 2.307 -8.425 -10.674 1.00 0.00 C ATOM 862 CG GLU A 56 2.532 -9.700 -11.489 1.00 0.00 C ATOM 863 CD GLU A 56 3.628 -9.454 -12.529 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.320 -8.883 -13.562 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.756 -9.839 -12.273 1.00 0.00 O ATOM 0 H GLU A 56 2.671 -9.910 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 56 4.420 -8.307 -10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.377 -8.500 -10.110 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.207 -7.568 -11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.818 -10.520 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.607 -9.997 -11.983 1.00 0.00 H new ATOM 872 N ALA A 57 2.585 -6.663 -8.085 1.00 0.00 N ATOM 873 CA ALA A 57 2.459 -5.328 -7.434 1.00 0.00 C ATOM 874 C ALA A 57 3.628 -5.124 -6.468 1.00 0.00 C ATOM 875 O ALA A 57 4.093 -4.019 -6.264 1.00 0.00 O ATOM 876 CB ALA A 57 1.140 -5.257 -6.666 1.00 0.00 C ATOM 0 H ALA A 57 2.005 -7.399 -7.682 1.00 0.00 H new ATOM 0 HA ALA A 57 2.475 -4.547 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.048 -4.281 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.309 -5.404 -7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.121 -6.036 -5.903 1.00 0.00 H new ATOM 882 N LYS A 58 4.108 -6.182 -5.873 1.00 0.00 N ATOM 883 CA LYS A 58 5.248 -6.050 -4.924 1.00 0.00 C ATOM 884 C LYS A 58 6.459 -5.474 -5.662 1.00 0.00 C ATOM 885 O LYS A 58 6.997 -4.454 -5.289 1.00 0.00 O ATOM 886 CB LYS A 58 5.604 -7.431 -4.361 1.00 0.00 C ATOM 887 CG LYS A 58 6.614 -7.292 -3.202 1.00 0.00 C ATOM 888 CD LYS A 58 5.877 -7.050 -1.870 1.00 0.00 C ATOM 889 CE LYS A 58 5.474 -8.389 -1.240 1.00 0.00 C ATOM 890 NZ LYS A 58 6.682 -9.056 -0.678 1.00 0.00 N ATOM 0 H LYS A 58 3.759 -7.132 -6.004 1.00 0.00 H new ATOM 0 HA LYS A 58 4.968 -5.384 -4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.702 -7.931 -4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.027 -8.054 -5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.220 -8.195 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.295 -6.465 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.519 -6.496 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.991 -6.439 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.736 -8.226 -0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.007 -9.029 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.394 -9.741 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.190 -9.551 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.307 -8.342 -0.252 1.00 0.00 H new ATOM 904 N ALA A 59 6.893 -6.121 -6.707 1.00 0.00 N ATOM 905 CA ALA A 59 8.069 -5.605 -7.463 1.00 0.00 C ATOM 906 C ALA A 59 7.801 -4.164 -7.904 1.00 0.00 C ATOM 907 O ALA A 59 8.629 -3.288 -7.740 1.00 0.00 O ATOM 908 CB ALA A 59 8.305 -6.480 -8.696 1.00 0.00 C ATOM 0 H ALA A 59 6.486 -6.983 -7.070 1.00 0.00 H new ATOM 0 HA ALA A 59 8.952 -5.630 -6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.165 -6.104 -9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.496 -7.506 -8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.422 -6.454 -9.335 1.00 0.00 H new ATOM 914 N ALA A 60 6.651 -3.912 -8.465 1.00 0.00 N ATOM 915 CA ALA A 60 6.331 -2.531 -8.920 1.00 0.00 C ATOM 916 C ALA A 60 6.236 -1.596 -7.714 1.00 0.00 C ATOM 917 O ALA A 60 6.508 -0.416 -7.811 1.00 0.00 O ATOM 918 CB ALA A 60 4.994 -2.537 -9.665 1.00 0.00 C ATOM 0 H ALA A 60 5.919 -4.603 -8.628 1.00 0.00 H new ATOM 0 HA ALA A 60 7.120 -2.181 -9.585 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.759 -1.526 -9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.062 -3.198 -10.529 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.208 -2.891 -8.998 1.00 0.00 H new ATOM 924 N LEU A 61 5.851 -2.109 -6.577 1.00 0.00 N ATOM 925 CA LEU A 61 5.742 -1.237 -5.375 1.00 0.00 C ATOM 926 C LEU A 61 7.127 -0.679 -5.032 1.00 0.00 C ATOM 927 O LEU A 61 7.257 0.427 -4.547 1.00 0.00 O ATOM 928 CB LEU A 61 5.195 -2.053 -4.194 1.00 0.00 C ATOM 929 CG LEU A 61 5.114 -1.181 -2.931 1.00 0.00 C ATOM 930 CD1 LEU A 61 4.209 0.037 -3.179 1.00 0.00 C ATOM 931 CD2 LEU A 61 4.542 -2.026 -1.786 1.00 0.00 C ATOM 0 H LEU A 61 5.609 -3.089 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 61 5.060 -0.411 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.207 -2.441 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.839 -2.913 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 61 6.110 -0.823 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.161 0.645 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.616 0.632 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.207 -0.302 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.479 -1.419 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.547 -2.379 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.193 -2.881 -1.604 1.00 0.00 H new ATOM 943 N LEU A 62 8.164 -1.432 -5.286 1.00 0.00 N ATOM 944 CA LEU A 62 9.534 -0.933 -4.979 1.00 0.00 C ATOM 945 C LEU A 62 9.876 0.207 -5.938 1.00 0.00 C ATOM 946 O LEU A 62 10.380 1.238 -5.537 1.00 0.00 O ATOM 947 CB LEU A 62 10.550 -2.066 -5.148 1.00 0.00 C ATOM 948 CG LEU A 62 10.064 -3.319 -4.413 1.00 0.00 C ATOM 949 CD1 LEU A 62 11.169 -4.378 -4.430 1.00 0.00 C ATOM 950 CD2 LEU A 62 9.714 -2.968 -2.960 1.00 0.00 C ATOM 0 H LEU A 62 8.121 -2.367 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 62 9.569 -0.574 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.689 -2.286 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.519 -1.758 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 62 9.176 -3.707 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.825 -5.271 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.413 -4.633 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.056 -3.986 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.369 -3.863 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.598 -2.576 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.926 -2.215 -2.947 1.00 0.00 H new ATOM 962 N LEU A 63 9.596 0.038 -7.202 1.00 0.00 N ATOM 963 CA LEU A 63 9.900 1.123 -8.177 1.00 0.00 C ATOM 964 C LEU A 63 9.007 2.323 -7.860 1.00 0.00 C ATOM 965 O LEU A 63 9.351 3.457 -8.127 1.00 0.00 O ATOM 966 CB LEU A 63 9.617 0.631 -9.604 1.00 0.00 C ATOM 967 CG LEU A 63 10.780 -0.234 -10.100 1.00 0.00 C ATOM 968 CD1 LEU A 63 10.819 -1.553 -9.324 1.00 0.00 C ATOM 969 CD2 LEU A 63 10.593 -0.529 -11.588 1.00 0.00 C ATOM 0 H LEU A 63 9.172 -0.800 -7.600 1.00 0.00 H new ATOM 0 HA LEU A 63 10.950 1.408 -8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.691 0.056 -9.622 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.476 1.482 -10.270 1.00 0.00 H new ATOM 0 HG LEU A 63 11.716 0.302 -9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.649 -2.162 -9.683 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.953 -1.347 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.883 -2.091 -9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.419 -1.144 -11.944 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.654 -1.061 -11.738 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.573 0.408 -12.145 1.00 0.00 H new ATOM 981 N ARG A 64 7.865 2.076 -7.284 1.00 0.00 N ATOM 982 CA ARG A 64 6.942 3.196 -6.937 1.00 0.00 C ATOM 983 C ARG A 64 7.524 3.967 -5.742 1.00 0.00 C ATOM 984 O ARG A 64 7.706 5.166 -5.797 1.00 0.00 O ATOM 985 CB ARG A 64 5.551 2.614 -6.586 1.00 0.00 C ATOM 986 CG ARG A 64 4.430 3.492 -7.163 1.00 0.00 C ATOM 987 CD ARG A 64 4.432 4.858 -6.473 1.00 0.00 C ATOM 988 NE ARG A 64 3.472 5.762 -7.168 1.00 0.00 N ATOM 989 CZ ARG A 64 3.085 6.869 -6.595 1.00 0.00 C ATOM 990 NH1 ARG A 64 3.537 7.183 -5.412 1.00 0.00 N ATOM 991 NH2 ARG A 64 2.248 7.662 -7.206 1.00 0.00 N ATOM 0 H ARG A 64 7.528 1.145 -7.037 1.00 0.00 H new ATOM 0 HA ARG A 64 6.834 3.878 -7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.465 1.602 -6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.444 2.544 -5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.570 3.617 -8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.465 3.005 -7.022 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.153 4.749 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.434 5.287 -6.494 1.00 0.00 H new ATOM 0 HE ARG A 64 3.117 5.515 -8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.192 6.564 -4.936 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.235 8.048 -4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.896 7.417 -8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.946 8.527 -6.758 1.00 0.00 H new ATOM 1005 N GLN A 65 7.821 3.286 -4.665 1.00 0.00 N ATOM 1006 CA GLN A 65 8.393 3.975 -3.478 1.00 0.00 C ATOM 1007 C GLN A 65 9.541 4.886 -3.919 1.00 0.00 C ATOM 1008 O GLN A 65 9.946 4.878 -5.065 1.00 0.00 O ATOM 1009 CB GLN A 65 8.922 2.924 -2.500 1.00 0.00 C ATOM 1010 CG GLN A 65 7.749 2.254 -1.781 1.00 0.00 C ATOM 1011 CD GLN A 65 8.234 0.975 -1.096 1.00 0.00 C ATOM 1012 OE1 GLN A 65 8.091 -0.105 -1.631 1.00 0.00 O ATOM 1013 NE2 GLN A 65 8.807 1.054 0.074 1.00 0.00 N ATOM 0 H GLN A 65 7.690 2.280 -4.560 1.00 0.00 H new ATOM 0 HA GLN A 65 7.623 4.576 -2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.508 2.177 -3.035 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.588 3.391 -1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.323 2.935 -1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.958 2.020 -2.493 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.927 1.962 0.523 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.135 0.208 0.539 1.00 0.00 H new ATOM 1022 N GLY A 66 10.071 5.670 -3.021 1.00 0.00 N ATOM 1023 CA GLY A 66 11.193 6.577 -3.394 1.00 0.00 C ATOM 1024 C GLY A 66 11.539 7.478 -2.207 1.00 0.00 C ATOM 1025 O GLY A 66 11.945 7.011 -1.161 1.00 0.00 O ATOM 0 H GLY A 66 9.776 5.722 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.065 5.992 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.913 7.184 -4.255 1.00 0.00 H new ATOM 1029 N GLU A 67 11.385 8.763 -2.361 1.00 0.00 N ATOM 1030 CA GLU A 67 11.706 9.691 -1.240 1.00 0.00 C ATOM 1031 C GLU A 67 10.686 9.500 -0.115 1.00 0.00 C ATOM 1032 O GLU A 67 9.626 10.093 -0.120 1.00 0.00 O ATOM 1033 CB GLU A 67 11.651 11.138 -1.743 1.00 0.00 C ATOM 1034 CG GLU A 67 12.177 12.091 -0.662 1.00 0.00 C ATOM 1035 CD GLU A 67 11.107 12.292 0.414 1.00 0.00 C ATOM 1036 OE1 GLU A 67 9.957 12.471 0.052 1.00 0.00 O ATOM 1037 OE2 GLU A 67 11.459 12.266 1.582 1.00 0.00 O ATOM 0 H GLU A 67 11.051 9.211 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 67 12.706 9.477 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.247 11.239 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.626 11.402 -2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.084 11.684 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.443 13.050 -1.107 1.00 0.00 H new ATOM 1044 N ILE A 68 10.998 8.676 0.848 1.00 0.00 N ATOM 1045 CA ILE A 68 10.047 8.447 1.973 1.00 0.00 C ATOM 1046 C ILE A 68 10.193 9.570 2.999 1.00 0.00 C ATOM 1047 O ILE A 68 9.364 10.452 3.091 1.00 0.00 O ATOM 1048 CB ILE A 68 10.362 7.101 2.640 1.00 0.00 C ATOM 1049 CG1 ILE A 68 10.501 6.004 1.563 1.00 0.00 C ATOM 1050 CG2 ILE A 68 9.254 6.738 3.647 1.00 0.00 C ATOM 1051 CD1 ILE A 68 9.327 6.056 0.577 1.00 0.00 C ATOM 0 H ILE A 68 11.871 8.151 0.904 1.00 0.00 H new ATOM 0 HA ILE A 68 9.026 8.434 1.591 1.00 0.00 H new ATOM 0 HB ILE A 68 11.305 7.179 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 68 11.440 6.134 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.539 5.024 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.487 5.781 4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.191 7.511 4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.299 6.665 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 68 9.447 5.274 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.392 5.902 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 68 9.307 7.029 0.086 1.00 0.00 H new ATOM 1063 N GLU A 69 11.241 9.543 3.772 1.00 0.00 N ATOM 1064 CA GLU A 69 11.445 10.606 4.793 1.00 0.00 C ATOM 1065 C GLU A 69 12.825 10.440 5.431 1.00 0.00 C ATOM 1066 O GLU A 69 13.509 11.403 5.717 1.00 0.00 O ATOM 1067 CB GLU A 69 10.364 10.487 5.870 1.00 0.00 C ATOM 1068 CG GLU A 69 10.656 11.482 6.994 1.00 0.00 C ATOM 1069 CD GLU A 69 9.427 11.611 7.895 1.00 0.00 C ATOM 1070 OE1 GLU A 69 8.804 10.598 8.163 1.00 0.00 O ATOM 1071 OE2 GLU A 69 9.129 12.722 8.301 1.00 0.00 O ATOM 0 H GLU A 69 11.968 8.828 3.740 1.00 0.00 H new ATOM 0 HA GLU A 69 11.381 11.586 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.383 10.686 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.339 9.472 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.514 11.146 7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.916 12.454 6.575 1.00 0.00 H new ATOM 1078 N THR A 70 13.238 9.224 5.656 1.00 0.00 N ATOM 1079 CA THR A 70 14.572 8.991 6.276 1.00 0.00 C ATOM 1080 C THR A 70 14.948 7.515 6.129 1.00 0.00 C ATOM 1081 O THR A 70 16.107 7.151 6.175 1.00 0.00 O ATOM 1082 CB THR A 70 14.515 9.358 7.762 1.00 0.00 C ATOM 1083 OG1 THR A 70 14.174 10.730 7.895 1.00 0.00 O ATOM 1084 CG2 THR A 70 15.879 9.103 8.405 1.00 0.00 C ATOM 0 H THR A 70 12.708 8.380 5.437 1.00 0.00 H new ATOM 0 HA THR A 70 15.319 9.609 5.778 1.00 0.00 H new ATOM 0 HB THR A 70 13.763 8.747 8.260 1.00 0.00 H new ATOM 0 HG1 THR A 70 14.276 11.178 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 70 15.837 9.364 9.462 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.139 8.049 8.302 1.00 0.00 H new ATOM 0 HG23 THR A 70 16.634 9.713 7.910 1.00 0.00 H new ATOM 1092 N SER A 71 13.977 6.661 5.953 1.00 0.00 N ATOM 1093 CA SER A 71 14.277 5.210 5.803 1.00 0.00 C ATOM 1094 C SER A 71 15.325 5.013 4.707 1.00 0.00 C ATOM 1095 O SER A 71 16.169 4.143 4.792 1.00 0.00 O ATOM 1096 CB SER A 71 12.998 4.463 5.426 1.00 0.00 C ATOM 1097 OG SER A 71 13.321 3.121 5.084 1.00 0.00 O ATOM 0 H SER A 71 12.988 6.906 5.907 1.00 0.00 H new ATOM 0 HA SER A 71 14.662 4.820 6.745 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.295 4.479 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.509 4.957 4.586 1.00 0.00 H new ATOM 0 HG SER A 71 12.503 2.639 4.843 1.00 0.00 H new ATOM 1103 N LEU A 72 15.280 5.815 3.680 1.00 0.00 N ATOM 1104 CA LEU A 72 16.274 5.674 2.579 1.00 0.00 C ATOM 1105 C LEU A 72 16.136 6.845 1.608 1.00 0.00 C ATOM 1106 O LEU A 72 16.892 6.973 0.665 1.00 0.00 O ATOM 1107 CB LEU A 72 16.044 4.349 1.837 1.00 0.00 C ATOM 1108 CG LEU A 72 14.572 4.238 1.347 1.00 0.00 C ATOM 1109 CD1 LEU A 72 14.440 4.725 -0.105 1.00 0.00 C ATOM 1110 CD2 LEU A 72 14.113 2.777 1.415 1.00 0.00 C ATOM 0 H LEU A 72 14.597 6.563 3.555 1.00 0.00 H new ATOM 0 HA LEU A 72 17.279 5.676 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.721 4.282 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 72 16.276 3.513 2.496 1.00 0.00 H new ATOM 0 HG LEU A 72 13.953 4.861 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 72 13.402 4.638 -0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 72 14.753 5.767 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.072 4.116 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.081 2.703 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 72 14.752 2.165 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 72 14.179 2.423 2.444 1.00 0.00 H new ATOM 1122 N GLY A 73 15.179 7.704 1.829 1.00 0.00 N ATOM 1123 CA GLY A 73 14.997 8.867 0.915 1.00 0.00 C ATOM 1124 C GLY A 73 16.106 9.890 1.162 1.00 0.00 C ATOM 1125 O GLY A 73 15.950 11.066 0.896 1.00 0.00 O ATOM 0 H GLY A 73 14.516 7.651 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.020 8.534 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.022 9.325 1.082 1.00 0.00 H new ATOM 1129 N TYR A 74 17.227 9.453 1.669 1.00 0.00 N ATOM 1130 CA TYR A 74 18.347 10.401 1.936 1.00 0.00 C ATOM 1131 C TYR A 74 19.129 10.646 0.642 1.00 0.00 C ATOM 1132 O TYR A 74 20.285 11.017 0.666 1.00 0.00 O ATOM 1133 CB TYR A 74 19.282 9.800 2.989 1.00 0.00 C ATOM 1134 CG TYR A 74 20.234 10.864 3.481 1.00 0.00 C ATOM 1135 CD1 TYR A 74 19.812 11.793 4.452 1.00 0.00 C ATOM 1136 CD2 TYR A 74 21.544 10.928 2.968 1.00 0.00 C ATOM 1137 CE1 TYR A 74 20.701 12.784 4.910 1.00 0.00 C ATOM 1138 CE2 TYR A 74 22.433 11.919 3.426 1.00 0.00 C ATOM 1139 CZ TYR A 74 22.011 12.848 4.397 1.00 0.00 C ATOM 1140 OH TYR A 74 22.882 13.821 4.847 1.00 0.00 O ATOM 0 H TYR A 74 17.416 8.480 1.910 1.00 0.00 H new ATOM 0 HA TYR A 74 17.944 11.346 2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 74 18.702 9.402 3.822 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.840 8.966 2.562 1.00 0.00 H new ATOM 0 HD1 TYR A 74 18.807 11.745 4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 74 21.867 10.216 2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 74 20.378 13.496 5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 74 23.438 11.967 3.033 1.00 0.00 H new ATOM 0 HH TYR A 74 23.745 13.724 4.392 1.00 0.00 H new ATOM 1150 N PHE A 75 18.507 10.443 -0.487 1.00 0.00 N ATOM 1151 CA PHE A 75 19.216 10.667 -1.778 1.00 0.00 C ATOM 1152 C PHE A 75 20.521 9.870 -1.788 1.00 0.00 C ATOM 1153 O PHE A 75 21.415 10.133 -2.569 1.00 0.00 O ATOM 1154 CB PHE A 75 19.526 12.157 -1.937 1.00 0.00 C ATOM 1155 CG PHE A 75 18.270 12.962 -1.710 1.00 0.00 C ATOM 1156 CD1 PHE A 75 17.327 13.103 -2.746 1.00 0.00 C ATOM 1157 CD2 PHE A 75 18.040 13.572 -0.462 1.00 0.00 C ATOM 1158 CE1 PHE A 75 16.155 13.854 -2.535 1.00 0.00 C ATOM 1159 CE2 PHE A 75 16.868 14.323 -0.250 1.00 0.00 C ATOM 1160 CZ PHE A 75 15.925 14.463 -1.287 1.00 0.00 C ATOM 0 H PHE A 75 17.539 10.132 -0.571 1.00 0.00 H new ATOM 0 HA PHE A 75 18.584 10.338 -2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 75 20.296 12.457 -1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 75 19.920 12.352 -2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 75 17.503 12.635 -3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 75 18.763 13.464 0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 75 15.433 13.963 -3.330 1.00 0.00 H new ATOM 0 HE2 PHE A 75 16.692 14.791 0.707 1.00 0.00 H new ATOM 0 HZ PHE A 75 15.025 15.038 -1.124 1.00 0.00 H new ATOM 1170 N GLU A 76 20.640 8.896 -0.928 1.00 0.00 N ATOM 1171 CA GLU A 76 21.888 8.084 -0.890 1.00 0.00 C ATOM 1172 C GLU A 76 21.879 7.081 -2.046 1.00 0.00 C ATOM 1173 O GLU A 76 22.906 6.766 -2.615 1.00 0.00 O ATOM 1174 CB GLU A 76 21.964 7.330 0.439 1.00 0.00 C ATOM 1175 CG GLU A 76 23.299 6.590 0.531 1.00 0.00 C ATOM 1176 CD GLU A 76 23.418 5.918 1.901 1.00 0.00 C ATOM 1177 OE1 GLU A 76 23.230 6.604 2.892 1.00 0.00 O ATOM 1178 OE2 GLU A 76 23.695 4.731 1.935 1.00 0.00 O ATOM 1179 OXT GLU A 76 20.727 6.578 -2.399 1.00 0.00 O ATOM 0 H GLU A 76 19.927 8.628 -0.250 1.00 0.00 H new ATOM 0 HA GLU A 76 22.753 8.741 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.865 8.027 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.138 6.623 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.368 5.843 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 76 24.124 7.287 0.383 1.00 0.00 H new TER 1186 GLU A 76