USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 701 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 76 SER OG : rot 180:sc= 0.785 USER MOD Set 1.2: A 90 THR OG1 : rot -111:sc= 0.711 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0.00833 USER MOD Set 2.2: A 20 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 8 GLN : amide:sc= 0.191 K(o=0.56,f=-0.3) USER MOD Set 3.2: A 89 THR OG1 : rot -62:sc= 0.366 USER MOD Single : A 1 MET CE :methyl 180:sc=-0.000574 (180deg=-0.000574) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.349 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 49:sc= 0.125 USER MOD Single : A 13 SER OG : rot -15:sc= 1.03 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 29:sc= 0.776 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc=-0.00101 USER MOD Single : A 33 THR OG1 : rot 44:sc= 0.318 USER MOD Single : A 37 TYR OH : rot -27:sc= 1.26 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.368 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 38:sc= 1.16 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 150:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 86 SER OG : rot -125:sc= 0.585 USER MOD Single : A 92 THR OG1 : rot -70:sc= 1.19 USER MOD Single : A 93 GLN : amide:sc= -0.0911 X(o=-0.091,f=-0.091) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 95 THR OG1 : rot 100:sc= -0.196 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.478 -3.467 5.196 1.00 0.00 N ATOM 2 CA MET A 1 -17.746 -2.021 5.119 1.00 0.00 C ATOM 3 C MET A 1 -19.160 -1.781 4.583 1.00 0.00 C ATOM 4 O MET A 1 -19.968 -2.706 4.655 1.00 0.00 O ATOM 5 CB MET A 1 -16.602 -1.312 4.381 1.00 0.00 C ATOM 6 CG MET A 1 -16.621 -1.337 2.850 1.00 0.00 C ATOM 7 SD MET A 1 -16.069 -2.888 2.116 1.00 0.00 S ATOM 8 CE MET A 1 -14.389 -2.386 1.672 1.00 0.00 C ATOM 0 H1 MET A 1 -16.981 -3.681 6.084 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.377 -3.989 5.167 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.886 -3.754 4.391 1.00 0.00 H new ATOM 0 HA MET A 1 -17.751 -1.560 6.107 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.592 -0.270 4.700 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.663 -1.755 4.712 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.635 -1.130 2.509 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.989 -0.530 2.479 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.873 -3.221 1.197 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.431 -1.545 0.980 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.848 -2.090 2.571 1.00 0.00 H new ATOM 20 N ARG A 2 -19.526 -0.590 4.089 1.00 0.00 N ATOM 21 CA ARG A 2 -20.794 -0.378 3.378 1.00 0.00 C ATOM 22 C ARG A 2 -20.507 0.424 2.112 1.00 0.00 C ATOM 23 O ARG A 2 -20.058 1.569 2.192 1.00 0.00 O ATOM 24 CB ARG A 2 -21.872 0.249 4.288 1.00 0.00 C ATOM 25 CG ARG A 2 -21.528 1.652 4.813 1.00 0.00 C ATOM 26 CD ARG A 2 -22.459 2.119 5.935 1.00 0.00 C ATOM 27 NE ARG A 2 -21.794 3.181 6.696 1.00 0.00 N ATOM 28 CZ ARG A 2 -21.876 3.407 8.006 1.00 0.00 C ATOM 29 NH1 ARG A 2 -22.910 2.975 8.718 1.00 0.00 N ATOM 30 NH2 ARG A 2 -20.877 4.047 8.583 1.00 0.00 N ATOM 0 H ARG A 2 -18.954 0.250 4.171 1.00 0.00 H new ATOM 0 HA ARG A 2 -21.223 -1.335 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -22.810 0.302 3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -22.040 -0.412 5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -20.500 1.655 5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -21.577 2.364 3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -23.397 2.486 5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -22.706 1.284 6.591 1.00 0.00 H new ATOM 0 HE ARG A 2 -21.202 3.818 6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -23.663 2.458 8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -22.952 3.160 9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -20.077 4.351 8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -20.904 4.238 9.585 1.00 0.00 H new ATOM 44 N GLY A 3 -20.686 -0.204 0.950 1.00 0.00 N ATOM 45 CA GLY A 3 -20.241 0.310 -0.335 1.00 0.00 C ATOM 46 C GLY A 3 -18.760 0.679 -0.241 1.00 0.00 C ATOM 47 O GLY A 3 -17.908 -0.192 -0.042 1.00 0.00 O ATOM 0 H GLY A 3 -21.157 -1.106 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -20.393 -0.439 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -20.829 1.184 -0.614 1.00 0.00 H new ATOM 51 N SER A 4 -18.481 1.978 -0.281 1.00 0.00 N ATOM 52 CA SER A 4 -17.245 2.600 0.165 1.00 0.00 C ATOM 53 C SER A 4 -17.633 3.831 0.997 1.00 0.00 C ATOM 54 O SER A 4 -18.783 4.266 0.914 1.00 0.00 O ATOM 55 CB SER A 4 -16.391 2.941 -1.056 1.00 0.00 C ATOM 56 OG SER A 4 -17.122 3.675 -2.023 1.00 0.00 O ATOM 0 H SER A 4 -19.148 2.658 -0.645 1.00 0.00 H new ATOM 0 HA SER A 4 -16.643 1.940 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 4 -15.522 3.519 -0.741 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.016 2.021 -1.505 1.00 0.00 H new ATOM 0 HG SER A 4 -16.543 3.876 -2.788 1.00 0.00 H new ATOM 62 N GLU A 5 -16.731 4.389 1.807 1.00 0.00 N ATOM 63 CA GLU A 5 -17.023 5.549 2.640 1.00 0.00 C ATOM 64 C GLU A 5 -15.857 6.537 2.521 1.00 0.00 C ATOM 65 O GLU A 5 -15.956 7.505 1.761 1.00 0.00 O ATOM 66 CB GLU A 5 -17.338 5.087 4.074 1.00 0.00 C ATOM 67 CG GLU A 5 -18.624 5.687 4.643 1.00 0.00 C ATOM 68 CD GLU A 5 -18.726 5.325 6.125 1.00 0.00 C ATOM 69 OE1 GLU A 5 -19.204 4.211 6.446 1.00 0.00 O ATOM 70 OE2 GLU A 5 -18.289 6.131 6.978 1.00 0.00 O ATOM 0 H GLU A 5 -15.775 4.045 1.901 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.914 6.081 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.418 4.000 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.504 5.353 4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.622 6.770 4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.490 5.306 4.101 1.00 0.00 H new ATOM 77 N VAL A 6 -14.733 6.297 3.197 1.00 0.00 N ATOM 78 CA VAL A 6 -13.544 7.130 3.066 1.00 0.00 C ATOM 79 C VAL A 6 -12.945 6.880 1.668 1.00 0.00 C ATOM 80 O VAL A 6 -12.786 5.716 1.271 1.00 0.00 O ATOM 81 CB VAL A 6 -12.578 6.789 4.218 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.218 7.475 4.074 1.00 0.00 C ATOM 83 CG2 VAL A 6 -13.160 7.194 5.584 1.00 0.00 C ATOM 0 H VAL A 6 -14.624 5.520 3.849 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.766 8.194 3.144 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.444 5.709 4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.580 7.198 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.749 7.160 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.355 8.556 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.451 6.938 6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.345 8.268 5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.097 6.663 5.752 1.00 0.00 H new ATOM 93 N PRO A 7 -12.568 7.935 0.919 1.00 0.00 N ATOM 94 CA PRO A 7 -11.999 7.766 -0.408 1.00 0.00 C ATOM 95 C PRO A 7 -10.625 7.102 -0.302 1.00 0.00 C ATOM 96 O PRO A 7 -9.807 7.452 0.562 1.00 0.00 O ATOM 97 CB PRO A 7 -11.975 9.148 -1.066 1.00 0.00 C ATOM 98 CG PRO A 7 -12.199 10.147 0.067 1.00 0.00 C ATOM 99 CD PRO A 7 -12.785 9.341 1.224 1.00 0.00 C ATOM 0 HA PRO A 7 -12.593 7.101 -1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.023 9.328 -1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.753 9.235 -1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.263 10.624 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.880 10.941 -0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.303 9.610 2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.848 9.550 1.340 1.00 0.00 H new ATOM 107 N GLN A 8 -10.404 6.114 -1.166 1.00 0.00 N ATOM 108 CA GLN A 8 -9.224 5.273 -1.249 1.00 0.00 C ATOM 109 C GLN A 8 -8.498 5.583 -2.551 1.00 0.00 C ATOM 110 O GLN A 8 -9.115 6.086 -3.491 1.00 0.00 O ATOM 111 CB GLN A 8 -9.662 3.799 -1.167 1.00 0.00 C ATOM 112 CG GLN A 8 -10.314 3.291 -2.461 1.00 0.00 C ATOM 113 CD GLN A 8 -11.220 2.108 -2.167 1.00 0.00 C ATOM 114 OE1 GLN A 8 -12.358 2.299 -1.731 1.00 0.00 O ATOM 115 NE2 GLN A 8 -10.745 0.886 -2.348 1.00 0.00 N ATOM 0 H GLN A 8 -11.096 5.867 -1.873 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.537 5.466 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.794 3.181 -0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.365 3.680 -0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.890 4.092 -2.925 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.543 2.999 -3.174 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.800 0.754 -2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.323 0.076 -2.126 1.00 0.00 H new ATOM 124 N LEU A 9 -7.222 5.212 -2.621 1.00 0.00 N ATOM 125 CA LEU A 9 -6.374 5.422 -3.783 1.00 0.00 C ATOM 126 C LEU A 9 -6.843 4.500 -4.903 1.00 0.00 C ATOM 127 O LEU A 9 -6.397 3.358 -5.033 1.00 0.00 O ATOM 128 CB LEU A 9 -4.896 5.187 -3.443 1.00 0.00 C ATOM 129 CG LEU A 9 -4.282 6.226 -2.487 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.943 5.727 -1.939 1.00 0.00 C ATOM 131 CD2 LEU A 9 -4.081 7.557 -3.205 1.00 0.00 C ATOM 0 H LEU A 9 -6.741 4.746 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.457 6.458 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.793 4.198 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.321 5.181 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.971 6.372 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.524 6.475 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.097 4.795 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.253 5.556 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.646 8.280 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.411 7.416 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.042 7.927 -3.561 1.00 0.00 H new ATOM 143 N THR A 10 -7.791 4.971 -5.696 1.00 0.00 N ATOM 144 CA THR A 10 -8.476 4.189 -6.717 1.00 0.00 C ATOM 145 C THR A 10 -7.559 3.931 -7.934 1.00 0.00 C ATOM 146 O THR A 10 -7.928 3.201 -8.857 1.00 0.00 O ATOM 147 CB THR A 10 -9.789 4.930 -7.040 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.490 5.238 -5.841 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.756 4.108 -7.888 1.00 0.00 C ATOM 0 H THR A 10 -8.116 5.937 -5.647 1.00 0.00 H new ATOM 0 HA THR A 10 -8.726 3.187 -6.368 1.00 0.00 H new ATOM 0 HB THR A 10 -9.484 5.820 -7.591 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.876 5.657 -5.202 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.658 4.689 -8.078 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.282 3.853 -8.836 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.019 3.193 -7.357 1.00 0.00 H new ATOM 157 N ASP A 11 -6.344 4.489 -7.952 1.00 0.00 N ATOM 158 CA ASP A 11 -5.305 4.288 -8.965 1.00 0.00 C ATOM 159 C ASP A 11 -4.063 3.582 -8.414 1.00 0.00 C ATOM 160 O ASP A 11 -3.081 3.445 -9.148 1.00 0.00 O ATOM 161 CB ASP A 11 -4.932 5.612 -9.638 1.00 0.00 C ATOM 162 CG ASP A 11 -4.005 6.478 -8.795 1.00 0.00 C ATOM 163 OD1 ASP A 11 -4.321 6.714 -7.610 1.00 0.00 O ATOM 164 OD2 ASP A 11 -3.039 7.051 -9.355 1.00 0.00 O ATOM 0 H ASP A 11 -6.043 5.130 -7.217 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.730 3.623 -9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.452 5.403 -10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.843 6.171 -9.854 1.00 0.00 H new ATOM 169 N LEU A 12 -4.112 3.114 -7.158 1.00 0.00 N ATOM 170 CA LEU A 12 -3.084 2.289 -6.524 1.00 0.00 C ATOM 171 C LEU A 12 -2.780 1.092 -7.419 1.00 0.00 C ATOM 172 O LEU A 12 -3.652 0.231 -7.584 1.00 0.00 O ATOM 173 CB LEU A 12 -3.579 1.844 -5.131 1.00 0.00 C ATOM 174 CG LEU A 12 -2.645 0.969 -4.266 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.528 -0.501 -4.699 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.256 1.596 -4.116 1.00 0.00 C ATOM 0 H LEU A 12 -4.898 3.309 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.163 2.858 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.816 2.742 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.512 1.298 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.139 0.944 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.849 -1.026 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.511 -0.971 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.141 -0.551 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.630 0.950 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.801 1.713 -5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.347 2.573 -3.640 1.00 0.00 H new ATOM 188 N SER A 13 -1.589 1.035 -8.024 1.00 0.00 N ATOM 189 CA SER A 13 -1.089 -0.141 -8.736 1.00 0.00 C ATOM 190 C SER A 13 0.436 -0.170 -8.790 1.00 0.00 C ATOM 191 O SER A 13 1.092 0.822 -8.469 1.00 0.00 O ATOM 192 CB SER A 13 -1.683 -0.218 -10.147 1.00 0.00 C ATOM 193 OG SER A 13 -3.101 -0.237 -10.130 1.00 0.00 O ATOM 0 H SER A 13 -0.936 1.819 -8.032 1.00 0.00 H new ATOM 0 HA SER A 13 -1.411 -1.019 -8.176 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.340 0.636 -10.731 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.315 -1.114 -10.646 1.00 0.00 H new ATOM 0 HG SER A 13 -3.415 -0.441 -9.224 1.00 0.00 H new ATOM 199 N PHE A 14 0.987 -1.333 -9.138 1.00 0.00 N ATOM 200 CA PHE A 14 2.380 -1.703 -8.916 1.00 0.00 C ATOM 201 C PHE A 14 3.113 -1.777 -10.259 1.00 0.00 C ATOM 202 O PHE A 14 2.507 -2.057 -11.295 1.00 0.00 O ATOM 203 CB PHE A 14 2.416 -3.066 -8.205 1.00 0.00 C ATOM 204 CG PHE A 14 1.699 -3.203 -6.861 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.228 -2.085 -6.133 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.610 -4.481 -6.277 1.00 0.00 C ATOM 207 CE1 PHE A 14 0.639 -2.246 -4.869 1.00 0.00 C ATOM 208 CE2 PHE A 14 1.059 -4.633 -4.994 1.00 0.00 C ATOM 209 CZ PHE A 14 0.552 -3.521 -4.303 1.00 0.00 C ATOM 0 H PHE A 14 0.453 -2.069 -9.600 1.00 0.00 H new ATOM 0 HA PHE A 14 2.877 -0.957 -8.295 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.993 -3.806 -8.884 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.462 -3.334 -8.053 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.323 -1.095 -6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.966 -5.346 -6.817 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.255 -1.389 -4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.025 -5.611 -4.536 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.094 -3.651 -3.333 1.00 0.00 H new ATOM 219 N VAL A 15 4.408 -1.491 -10.245 1.00 0.00 N ATOM 220 CA VAL A 15 5.331 -1.432 -11.371 1.00 0.00 C ATOM 221 C VAL A 15 6.712 -1.913 -10.887 1.00 0.00 C ATOM 222 O VAL A 15 6.906 -2.170 -9.697 1.00 0.00 O ATOM 223 CB VAL A 15 5.377 0.011 -11.940 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.235 0.257 -12.935 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.378 1.120 -10.875 1.00 0.00 C ATOM 0 H VAL A 15 4.881 -1.275 -9.368 1.00 0.00 H new ATOM 0 HA VAL A 15 5.001 -2.082 -12.182 1.00 0.00 H new ATOM 0 HB VAL A 15 6.338 0.071 -12.451 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.296 1.277 -13.315 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.318 -0.445 -13.765 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.278 0.114 -12.433 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.411 2.094 -11.364 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.472 1.047 -10.273 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.251 1.006 -10.232 1.00 0.00 H new ATOM 235 N ASP A 16 7.679 -2.013 -11.808 1.00 0.00 N ATOM 236 CA ASP A 16 9.088 -2.345 -11.571 1.00 0.00 C ATOM 237 C ASP A 16 9.208 -3.547 -10.627 1.00 0.00 C ATOM 238 O ASP A 16 9.831 -3.495 -9.566 1.00 0.00 O ATOM 239 CB ASP A 16 9.864 -1.090 -11.138 1.00 0.00 C ATOM 240 CG ASP A 16 11.355 -1.204 -11.472 1.00 0.00 C ATOM 241 OD1 ASP A 16 11.750 -0.797 -12.590 1.00 0.00 O ATOM 242 OD2 ASP A 16 12.152 -1.695 -10.642 1.00 0.00 O ATOM 0 H ASP A 16 7.486 -1.855 -12.797 1.00 0.00 H new ATOM 0 HA ASP A 16 9.563 -2.670 -12.497 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.446 -0.214 -11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.742 -0.938 -10.066 1.00 0.00 H new ATOM 247 N ILE A 17 8.506 -4.618 -11.008 1.00 0.00 N ATOM 248 CA ILE A 17 8.192 -5.804 -10.210 1.00 0.00 C ATOM 249 C ILE A 17 9.370 -6.787 -10.314 1.00 0.00 C ATOM 250 O ILE A 17 9.236 -7.953 -10.700 1.00 0.00 O ATOM 251 CB ILE A 17 6.808 -6.373 -10.638 1.00 0.00 C ATOM 252 CG1 ILE A 17 5.740 -5.249 -10.706 1.00 0.00 C ATOM 253 CG2 ILE A 17 6.320 -7.477 -9.679 1.00 0.00 C ATOM 254 CD1 ILE A 17 4.345 -5.704 -11.138 1.00 0.00 C ATOM 0 H ILE A 17 8.115 -4.682 -11.948 1.00 0.00 H new ATOM 0 HA ILE A 17 8.083 -5.572 -9.151 1.00 0.00 H new ATOM 0 HB ILE A 17 6.942 -6.807 -11.629 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.665 -4.781 -9.724 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.086 -4.482 -11.399 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.351 -7.847 -10.013 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.039 -8.296 -9.672 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.225 -7.069 -8.673 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.672 -4.847 -11.154 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.398 -6.143 -12.134 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.970 -6.447 -10.434 1.00 0.00 H new ATOM 266 N THR A 18 10.557 -6.272 -10.030 1.00 0.00 N ATOM 267 CA THR A 18 11.802 -7.010 -10.019 1.00 0.00 C ATOM 268 C THR A 18 11.908 -7.848 -8.737 1.00 0.00 C ATOM 269 O THR A 18 11.066 -7.782 -7.835 1.00 0.00 O ATOM 270 CB THR A 18 12.945 -6.004 -10.236 1.00 0.00 C ATOM 271 OG1 THR A 18 14.173 -6.667 -10.449 1.00 0.00 O ATOM 272 CG2 THR A 18 13.107 -5.017 -9.082 1.00 0.00 C ATOM 0 H THR A 18 10.679 -5.288 -9.792 1.00 0.00 H new ATOM 0 HA THR A 18 11.859 -7.738 -10.828 1.00 0.00 H new ATOM 0 HB THR A 18 12.668 -5.436 -11.124 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.883 -6.005 -10.586 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.930 -4.336 -9.299 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.186 -4.446 -8.959 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.321 -5.563 -8.163 1.00 0.00 H new ATOM 280 N ASP A 19 12.967 -8.649 -8.658 1.00 0.00 N ATOM 281 CA ASP A 19 13.233 -9.557 -7.542 1.00 0.00 C ATOM 282 C ASP A 19 13.816 -8.806 -6.332 1.00 0.00 C ATOM 283 O ASP A 19 14.033 -9.397 -5.272 1.00 0.00 O ATOM 284 CB ASP A 19 14.219 -10.675 -7.927 1.00 0.00 C ATOM 285 CG ASP A 19 14.052 -11.309 -9.310 1.00 0.00 C ATOM 286 OD1 ASP A 19 12.958 -11.277 -9.916 1.00 0.00 O ATOM 287 OD2 ASP A 19 15.066 -11.841 -9.821 1.00 0.00 O ATOM 0 H ASP A 19 13.682 -8.687 -9.384 1.00 0.00 H new ATOM 0 HA ASP A 19 12.270 -9.997 -7.282 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.230 -10.272 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.141 -11.466 -7.181 1.00 0.00 H new ATOM 292 N SER A 20 14.097 -7.511 -6.499 1.00 0.00 N ATOM 293 CA SER A 20 14.953 -6.691 -5.652 1.00 0.00 C ATOM 294 C SER A 20 14.274 -5.452 -5.064 1.00 0.00 C ATOM 295 O SER A 20 14.808 -4.839 -4.134 1.00 0.00 O ATOM 296 CB SER A 20 16.229 -6.405 -6.446 1.00 0.00 C ATOM 297 OG SER A 20 16.008 -5.477 -7.488 1.00 0.00 O ATOM 0 H SER A 20 13.707 -6.979 -7.277 1.00 0.00 H new ATOM 0 HA SER A 20 15.203 -7.241 -4.744 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.995 -6.019 -5.774 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.612 -7.336 -6.865 1.00 0.00 H new ATOM 0 HG SER A 20 16.847 -5.320 -7.970 1.00 0.00 H new ATOM 303 N SER A 21 13.057 -5.146 -5.500 1.00 0.00 N ATOM 304 CA SER A 21 12.100 -4.220 -4.912 1.00 0.00 C ATOM 305 C SER A 21 10.798 -4.309 -5.717 1.00 0.00 C ATOM 306 O SER A 21 10.751 -4.970 -6.758 1.00 0.00 O ATOM 307 CB SER A 21 12.632 -2.774 -4.922 1.00 0.00 C ATOM 308 OG SER A 21 13.434 -2.466 -6.049 1.00 0.00 O ATOM 0 H SER A 21 12.685 -5.577 -6.346 1.00 0.00 H new ATOM 0 HA SER A 21 11.929 -4.492 -3.870 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.787 -2.086 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.215 -2.605 -4.016 1.00 0.00 H new ATOM 0 HG SER A 21 13.735 -1.535 -5.992 1.00 0.00 H new ATOM 314 N ILE A 22 9.760 -3.606 -5.268 1.00 0.00 N ATOM 315 CA ILE A 22 8.479 -3.495 -5.966 1.00 0.00 C ATOM 316 C ILE A 22 8.098 -2.000 -5.913 1.00 0.00 C ATOM 317 O ILE A 22 8.104 -1.396 -4.836 1.00 0.00 O ATOM 318 CB ILE A 22 7.509 -4.543 -5.336 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.642 -5.334 -6.336 1.00 0.00 C ATOM 320 CG2 ILE A 22 6.660 -4.001 -4.186 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.275 -4.741 -6.677 1.00 0.00 C ATOM 0 H ILE A 22 9.786 -3.087 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 22 8.471 -3.751 -7.025 1.00 0.00 H new ATOM 0 HB ILE A 22 8.208 -5.265 -4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.206 -5.445 -7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.488 -6.336 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.015 -4.793 -3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.312 -3.649 -3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.047 -3.174 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.764 -5.390 -7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.678 -4.657 -5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.407 -3.752 -7.117 1.00 0.00 H new ATOM 333 N GLY A 23 7.873 -1.343 -7.057 1.00 0.00 N ATOM 334 CA GLY A 23 7.649 0.105 -7.134 1.00 0.00 C ATOM 335 C GLY A 23 6.164 0.396 -7.257 1.00 0.00 C ATOM 336 O GLY A 23 5.485 -0.264 -8.033 1.00 0.00 O ATOM 0 H GLY A 23 7.841 -1.807 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.051 0.591 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.181 0.518 -7.991 1.00 0.00 H new ATOM 340 N LEU A 24 5.635 1.360 -6.509 1.00 0.00 N ATOM 341 CA LEU A 24 4.199 1.604 -6.407 1.00 0.00 C ATOM 342 C LEU A 24 3.880 2.880 -7.159 1.00 0.00 C ATOM 343 O LEU A 24 4.706 3.796 -7.184 1.00 0.00 O ATOM 344 CB LEU A 24 3.796 1.833 -4.940 1.00 0.00 C ATOM 345 CG LEU A 24 4.152 0.695 -3.965 1.00 0.00 C ATOM 346 CD1 LEU A 24 5.149 1.190 -2.937 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.913 0.150 -3.256 1.00 0.00 C ATOM 0 H LEU A 24 6.198 2.001 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 24 3.666 0.744 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.272 2.749 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.719 1.998 -4.900 1.00 0.00 H new ATOM 0 HG LEU A 24 4.591 -0.115 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.396 0.380 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.054 1.528 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.714 2.019 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.205 -0.651 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.436 0.950 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.212 -0.238 -3.995 1.00 0.00 H new ATOM 359 N ARG A 25 2.643 3.049 -7.629 1.00 0.00 N ATOM 360 CA ARG A 25 2.163 4.376 -8.009 1.00 0.00 C ATOM 361 C ARG A 25 0.782 4.569 -7.397 1.00 0.00 C ATOM 362 O ARG A 25 0.007 3.608 -7.349 1.00 0.00 O ATOM 363 CB ARG A 25 2.011 4.468 -9.541 1.00 0.00 C ATOM 364 CG ARG A 25 3.302 4.356 -10.361 1.00 0.00 C ATOM 365 CD ARG A 25 2.954 4.302 -11.851 1.00 0.00 C ATOM 366 NE ARG A 25 4.140 4.289 -12.723 1.00 0.00 N ATOM 367 CZ ARG A 25 4.087 4.355 -14.057 1.00 0.00 C ATOM 368 NH1 ARG A 25 2.938 4.208 -14.708 1.00 0.00 N ATOM 369 NH2 ARG A 25 5.191 4.563 -14.757 1.00 0.00 N ATOM 0 H ARG A 25 1.966 2.296 -7.754 1.00 0.00 H new ATOM 0 HA ARG A 25 2.870 5.130 -7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.331 3.680 -9.865 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.535 5.419 -9.781 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.950 5.209 -10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.853 3.461 -10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.358 3.411 -12.046 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.334 5.162 -12.104 1.00 0.00 H new ATOM 0 HE ARG A 25 5.058 4.226 -12.283 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.076 4.041 -14.189 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.918 4.262 -15.726 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.085 4.673 -14.279 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.148 4.613 -15.775 1.00 0.00 H new ATOM 383 N TRP A 26 0.460 5.795 -6.990 1.00 0.00 N ATOM 384 CA TRP A 26 -0.895 6.227 -6.654 1.00 0.00 C ATOM 385 C TRP A 26 -0.989 7.759 -6.771 1.00 0.00 C ATOM 386 O TRP A 26 0.033 8.413 -6.999 1.00 0.00 O ATOM 387 CB TRP A 26 -1.252 5.718 -5.253 1.00 0.00 C ATOM 388 CG TRP A 26 -0.443 6.264 -4.116 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.584 7.489 -3.570 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.602 5.612 -3.335 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.324 7.663 -2.556 1.00 0.00 N ATOM 392 CE2 TRP A 26 1.081 6.534 -2.357 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.213 4.345 -3.374 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.129 6.227 -1.480 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.287 4.033 -2.522 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.753 4.975 -1.585 1.00 0.00 C ATOM 0 H TRP A 26 1.153 6.535 -6.882 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.620 5.806 -7.350 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.301 5.945 -5.065 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.155 4.632 -5.250 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.307 8.227 -3.885 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.424 8.523 -2.017 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.852 3.601 -4.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.451 6.941 -0.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.758 3.063 -2.587 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.591 4.734 -0.947 1.00 0.00 H new ATOM 407 N THR A 27 -2.176 8.362 -6.632 1.00 0.00 N ATOM 408 CA THR A 27 -2.316 9.806 -6.809 1.00 0.00 C ATOM 409 C THR A 27 -2.120 10.487 -5.446 1.00 0.00 C ATOM 410 O THR A 27 -2.639 9.994 -4.445 1.00 0.00 O ATOM 411 CB THR A 27 -3.724 10.057 -7.366 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.814 9.543 -8.685 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.135 11.526 -7.408 1.00 0.00 C ATOM 0 H THR A 27 -3.042 7.876 -6.400 1.00 0.00 H new ATOM 0 HA THR A 27 -1.575 10.213 -7.498 1.00 0.00 H new ATOM 0 HB THR A 27 -4.401 9.551 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.196 8.789 -8.785 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.143 11.610 -7.815 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.115 11.938 -6.399 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.441 12.080 -8.040 1.00 0.00 H new ATOM 421 N PRO A 28 -1.474 11.662 -5.369 1.00 0.00 N ATOM 422 CA PRO A 28 -1.236 12.296 -4.086 1.00 0.00 C ATOM 423 C PRO A 28 -2.467 13.069 -3.589 1.00 0.00 C ATOM 424 O PRO A 28 -3.031 13.898 -4.315 1.00 0.00 O ATOM 425 CB PRO A 28 0.012 13.166 -4.264 1.00 0.00 C ATOM 426 CG PRO A 28 0.188 13.337 -5.771 1.00 0.00 C ATOM 427 CD PRO A 28 -0.683 12.270 -6.425 1.00 0.00 C ATOM 0 HA PRO A 28 -1.061 11.560 -3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.111 14.131 -3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.887 12.691 -3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.115 14.335 -6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.233 13.216 -6.057 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.328 12.711 -7.185 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.067 11.522 -6.925 1.00 0.00 H new ATOM 435 N LEU A 29 -2.925 12.757 -2.372 1.00 0.00 N ATOM 436 CA LEU A 29 -4.143 13.273 -1.749 1.00 0.00 C ATOM 437 C LEU A 29 -3.818 14.451 -0.843 1.00 0.00 C ATOM 438 O LEU A 29 -3.588 14.288 0.359 1.00 0.00 O ATOM 439 CB LEU A 29 -4.927 12.175 -1.006 1.00 0.00 C ATOM 440 CG LEU A 29 -5.051 10.879 -1.811 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.855 9.819 -1.062 1.00 0.00 C ATOM 442 CD2 LEU A 29 -5.654 11.070 -3.210 1.00 0.00 C ATOM 0 H LEU A 29 -2.429 12.104 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.799 13.628 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.433 11.962 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.924 12.546 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.023 10.540 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.919 8.915 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.362 9.588 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.859 10.196 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.709 10.107 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.656 11.490 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.026 11.749 -3.787 1.00 0.00 H new ATOM 454 N ASN A 30 -3.813 15.659 -1.399 1.00 0.00 N ATOM 455 CA ASN A 30 -3.595 16.885 -0.634 1.00 0.00 C ATOM 456 C ASN A 30 -4.875 17.318 0.090 1.00 0.00 C ATOM 457 O ASN A 30 -5.188 18.508 0.125 1.00 0.00 O ATOM 458 CB ASN A 30 -3.025 17.977 -1.547 1.00 0.00 C ATOM 459 CG ASN A 30 -1.536 17.765 -1.725 1.00 0.00 C ATOM 460 OD1 ASN A 30 -0.765 18.191 -0.876 1.00 0.00 O ATOM 461 ND2 ASN A 30 -1.101 17.119 -2.794 1.00 0.00 N ATOM 0 H ASN A 30 -3.960 15.817 -2.396 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.857 16.697 0.146 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.524 17.952 -2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.214 18.960 -1.116 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.101 16.966 -2.926 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.765 16.774 -3.487 1.00 0.00 H new ATOM 468 N SER A 31 -5.619 16.361 0.652 1.00 0.00 N ATOM 469 CA SER A 31 -6.828 16.589 1.436 1.00 0.00 C ATOM 470 C SER A 31 -6.815 17.864 2.296 1.00 0.00 C ATOM 471 O SER A 31 -7.649 18.742 2.053 1.00 0.00 O ATOM 472 CB SER A 31 -7.088 15.348 2.294 1.00 0.00 C ATOM 473 OG SER A 31 -7.897 14.459 1.567 1.00 0.00 O ATOM 0 H SER A 31 -5.384 15.372 0.568 1.00 0.00 H new ATOM 0 HA SER A 31 -7.640 16.757 0.728 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.146 14.869 2.561 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.578 15.629 3.226 1.00 0.00 H new ATOM 0 HG SER A 31 -8.069 13.659 2.106 1.00 0.00 H new ATOM 479 N SER A 32 -5.914 17.939 3.285 1.00 0.00 N ATOM 480 CA SER A 32 -5.723 19.007 4.276 1.00 0.00 C ATOM 481 C SER A 32 -4.962 18.532 5.522 1.00 0.00 C ATOM 482 O SER A 32 -4.442 19.364 6.267 1.00 0.00 O ATOM 483 CB SER A 32 -7.057 19.634 4.734 1.00 0.00 C ATOM 484 OG SER A 32 -8.035 18.647 5.029 1.00 0.00 O ATOM 0 H SER A 32 -5.240 17.186 3.424 1.00 0.00 H new ATOM 0 HA SER A 32 -5.128 19.759 3.758 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.884 20.249 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.433 20.296 3.954 1.00 0.00 H new ATOM 0 HG SER A 32 -8.864 19.084 5.317 1.00 0.00 H new ATOM 490 N THR A 33 -4.947 17.234 5.837 1.00 0.00 N ATOM 491 CA THR A 33 -4.759 16.809 7.221 1.00 0.00 C ATOM 492 C THR A 33 -4.408 15.311 7.303 1.00 0.00 C ATOM 493 O THR A 33 -4.219 14.788 8.407 1.00 0.00 O ATOM 494 CB THR A 33 -6.060 17.216 7.948 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.826 18.396 8.683 1.00 0.00 O ATOM 496 CG2 THR A 33 -6.676 16.260 8.971 1.00 0.00 C ATOM 0 H THR A 33 -5.061 16.475 5.165 1.00 0.00 H new ATOM 0 HA THR A 33 -3.908 17.287 7.707 1.00 0.00 H new ATOM 0 HB THR A 33 -6.761 17.275 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.310 19.025 8.136 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.582 16.703 9.383 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.922 15.316 8.485 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.963 16.079 9.775 1.00 0.00 H new ATOM 504 N ILE A 34 -4.398 14.614 6.156 1.00 0.00 N ATOM 505 CA ILE A 34 -4.066 13.198 6.025 1.00 0.00 C ATOM 506 C ILE A 34 -2.832 12.879 6.885 1.00 0.00 C ATOM 507 O ILE A 34 -1.897 13.679 6.958 1.00 0.00 O ATOM 508 CB ILE A 34 -3.861 12.839 4.533 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.023 11.326 4.320 1.00 0.00 C ATOM 510 CG2 ILE A 34 -2.493 13.300 4.025 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.695 10.836 2.913 1.00 0.00 C ATOM 0 H ILE A 34 -4.631 15.045 5.261 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.888 12.582 6.390 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.624 13.364 3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.382 10.803 5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.051 11.049 4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.385 13.031 2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.410 14.382 4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.707 12.817 4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.839 9.757 2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.353 11.325 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.658 11.076 2.677 1.00 0.00 H new ATOM 523 N ILE A 35 -2.792 11.693 7.486 1.00 0.00 N ATOM 524 CA ILE A 35 -1.643 11.308 8.291 1.00 0.00 C ATOM 525 C ILE A 35 -0.610 10.759 7.323 1.00 0.00 C ATOM 526 O ILE A 35 0.543 11.181 7.346 1.00 0.00 O ATOM 527 CB ILE A 35 -2.050 10.273 9.356 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.103 10.853 10.321 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.834 9.787 10.162 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.524 10.429 9.947 1.00 0.00 C ATOM 0 H ILE A 35 -3.532 10.993 7.431 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.232 12.155 8.841 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.481 9.424 8.825 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.883 10.524 11.337 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.037 11.941 10.317 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.158 9.058 10.905 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.113 9.324 9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.368 10.635 10.665 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.231 10.862 10.655 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.756 10.781 8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.599 9.342 9.977 1.00 0.00 H new ATOM 542 N GLY A 36 -1.018 9.845 6.446 1.00 0.00 N ATOM 543 CA GLY A 36 -0.112 9.285 5.468 1.00 0.00 C ATOM 544 C GLY A 36 -0.762 8.144 4.718 1.00 0.00 C ATOM 545 O GLY A 36 -1.989 8.018 4.658 1.00 0.00 O ATOM 0 H GLY A 36 -1.970 9.482 6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.194 10.060 4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.791 8.931 5.965 1.00 0.00 H new ATOM 549 N TYR A 37 0.093 7.302 4.155 1.00 0.00 N ATOM 550 CA TYR A 37 -0.272 6.003 3.627 1.00 0.00 C ATOM 551 C TYR A 37 0.709 5.060 4.308 1.00 0.00 C ATOM 552 O TYR A 37 1.876 5.415 4.507 1.00 0.00 O ATOM 553 CB TYR A 37 -0.171 5.962 2.074 1.00 0.00 C ATOM 554 CG TYR A 37 -0.531 7.281 1.403 1.00 0.00 C ATOM 555 CD1 TYR A 37 0.435 8.302 1.266 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.859 7.529 1.019 1.00 0.00 C ATOM 557 CE1 TYR A 37 0.055 9.586 0.836 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.245 8.799 0.562 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.301 9.846 0.522 1.00 0.00 C ATOM 560 OH TYR A 37 -1.714 11.107 0.211 1.00 0.00 O ATOM 0 H TYR A 37 1.086 7.513 4.052 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.309 5.733 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.845 5.686 1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.830 5.180 1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.471 8.096 1.493 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.590 6.736 1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.793 10.369 0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.262 8.974 0.242 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.120 11.760 0.637 1.00 0.00 H new ATOM 570 N ARG A 38 0.226 3.891 4.704 1.00 0.00 N ATOM 571 CA ARG A 38 0.979 2.880 5.417 1.00 0.00 C ATOM 572 C ARG A 38 1.006 1.662 4.523 1.00 0.00 C ATOM 573 O ARG A 38 -0.050 1.066 4.278 1.00 0.00 O ATOM 574 CB ARG A 38 0.339 2.654 6.795 1.00 0.00 C ATOM 575 CG ARG A 38 0.937 1.486 7.591 1.00 0.00 C ATOM 576 CD ARG A 38 0.247 0.149 7.269 1.00 0.00 C ATOM 577 NE ARG A 38 -0.234 -0.533 8.491 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.508 -0.650 8.889 1.00 0.00 C ATOM 579 NH1 ARG A 38 -2.492 -0.144 8.151 1.00 0.00 N ATOM 580 NH2 ARG A 38 -1.804 -1.265 10.027 1.00 0.00 N ATOM 0 H ARG A 38 -0.740 3.614 4.528 1.00 0.00 H new ATOM 0 HA ARG A 38 2.010 3.166 5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.440 3.567 7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.728 2.477 6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.001 1.406 7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.847 1.692 8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.593 0.327 6.598 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.944 -0.501 6.741 1.00 0.00 H new ATOM 0 HE ARG A 38 0.475 -0.956 9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.279 0.336 7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.460 -0.236 8.459 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.059 -1.653 10.606 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.776 -1.350 10.323 1.00 0.00 H new ATOM 594 N ILE A 39 2.171 1.300 4.005 1.00 0.00 N ATOM 595 CA ILE A 39 2.323 0.064 3.261 1.00 0.00 C ATOM 596 C ILE A 39 2.562 -1.012 4.316 1.00 0.00 C ATOM 597 O ILE A 39 3.175 -0.738 5.340 1.00 0.00 O ATOM 598 CB ILE A 39 3.428 0.198 2.184 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.942 1.106 1.032 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.768 -1.151 1.519 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.912 2.615 1.300 1.00 0.00 C ATOM 0 H ILE A 39 3.026 1.849 4.088 1.00 0.00 H new ATOM 0 HA ILE A 39 1.443 -0.204 2.676 1.00 0.00 H new ATOM 0 HB ILE A 39 4.298 0.601 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.582 0.928 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.936 0.791 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.548 -1.002 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.120 -1.852 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.877 -1.554 1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.552 3.135 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.246 2.823 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.917 2.962 1.542 1.00 0.00 H new ATOM 613 N THR A 40 2.038 -2.213 4.081 1.00 0.00 N ATOM 614 CA THR A 40 2.371 -3.412 4.834 1.00 0.00 C ATOM 615 C THR A 40 2.660 -4.467 3.771 1.00 0.00 C ATOM 616 O THR A 40 2.083 -4.443 2.684 1.00 0.00 O ATOM 617 CB THR A 40 1.210 -3.859 5.748 1.00 0.00 C ATOM 618 OG1 THR A 40 0.944 -2.881 6.729 1.00 0.00 O ATOM 619 CG2 THR A 40 1.514 -5.137 6.537 1.00 0.00 C ATOM 0 H THR A 40 1.354 -2.379 3.343 1.00 0.00 H new ATOM 0 HA THR A 40 3.218 -3.244 5.500 1.00 0.00 H new ATOM 0 HB THR A 40 0.373 -4.023 5.069 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.204 -3.181 7.298 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.656 -5.394 7.158 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.717 -5.953 5.844 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.385 -4.974 7.171 1.00 0.00 H new ATOM 627 N VAL A 41 3.494 -5.441 4.104 1.00 0.00 N ATOM 628 CA VAL A 41 3.640 -6.673 3.349 1.00 0.00 C ATOM 629 C VAL A 41 3.456 -7.893 4.228 1.00 0.00 C ATOM 630 O VAL A 41 3.820 -7.889 5.409 1.00 0.00 O ATOM 631 CB VAL A 41 4.908 -6.703 2.458 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.506 -6.850 1.000 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.679 -5.361 2.431 1.00 0.00 C ATOM 0 H VAL A 41 4.100 -5.394 4.923 1.00 0.00 H new ATOM 0 HA VAL A 41 2.823 -6.705 2.629 1.00 0.00 H new ATOM 0 HB VAL A 41 5.508 -7.514 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.400 -6.871 0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.950 -7.778 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.880 -6.007 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.554 -5.457 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.029 -4.576 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.998 -5.104 3.441 1.00 0.00 H new ATOM 643 N VAL A 42 2.879 -8.923 3.620 1.00 0.00 N ATOM 644 CA VAL A 42 2.839 -10.283 4.149 1.00 0.00 C ATOM 645 C VAL A 42 3.254 -11.216 3.006 1.00 0.00 C ATOM 646 O VAL A 42 3.187 -10.807 1.842 1.00 0.00 O ATOM 647 CB VAL A 42 1.450 -10.621 4.750 1.00 0.00 C ATOM 648 CG1 VAL A 42 0.807 -9.466 5.531 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.475 -11.029 3.654 1.00 0.00 C ATOM 0 H VAL A 42 2.412 -8.833 2.718 1.00 0.00 H new ATOM 0 HA VAL A 42 3.530 -10.404 4.983 1.00 0.00 H new ATOM 0 HB VAL A 42 1.640 -11.438 5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.161 -9.783 5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.455 -9.183 6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.670 -8.611 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.493 -11.262 4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.362 -10.210 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.858 -11.908 3.135 1.00 0.00 H new ATOM 659 N ALA A 43 3.599 -12.466 3.316 1.00 0.00 N ATOM 660 CA ALA A 43 3.804 -13.508 2.317 1.00 0.00 C ATOM 661 C ALA A 43 2.442 -14.144 2.032 1.00 0.00 C ATOM 662 O ALA A 43 1.948 -14.940 2.836 1.00 0.00 O ATOM 663 CB ALA A 43 4.829 -14.528 2.831 1.00 0.00 C ATOM 0 H ALA A 43 3.744 -12.783 4.274 1.00 0.00 H new ATOM 0 HA ALA A 43 4.208 -13.101 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.978 -15.304 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.776 -14.025 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.462 -14.980 3.752 1.00 0.00 H new ATOM 669 N ALA A 44 1.810 -13.736 0.932 1.00 0.00 N ATOM 670 CA ALA A 44 0.489 -14.182 0.532 1.00 0.00 C ATOM 671 C ALA A 44 0.491 -15.697 0.373 1.00 0.00 C ATOM 672 O ALA A 44 1.232 -16.263 -0.434 1.00 0.00 O ATOM 673 CB ALA A 44 0.049 -13.510 -0.769 1.00 0.00 C ATOM 0 H ALA A 44 2.220 -13.067 0.280 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.223 -13.900 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.945 -13.864 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.023 -12.429 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.754 -13.757 -1.563 1.00 0.00 H new ATOM 679 N GLY A 45 -0.379 -16.343 1.137 1.00 0.00 N ATOM 680 CA GLY A 45 -0.403 -17.779 1.335 1.00 0.00 C ATOM 681 C GLY A 45 -0.547 -18.058 2.819 1.00 0.00 C ATOM 682 O GLY A 45 -1.255 -18.991 3.196 1.00 0.00 O ATOM 0 H GLY A 45 -1.114 -15.860 1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.232 -18.224 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.513 -18.230 0.952 1.00 0.00 H new ATOM 686 N GLU A 46 0.028 -17.195 3.656 1.00 0.00 N ATOM 687 CA GLU A 46 -0.085 -17.236 5.099 1.00 0.00 C ATOM 688 C GLU A 46 -0.262 -15.799 5.610 1.00 0.00 C ATOM 689 O GLU A 46 -0.208 -14.837 4.841 1.00 0.00 O ATOM 690 CB GLU A 46 1.182 -17.929 5.618 1.00 0.00 C ATOM 691 CG GLU A 46 1.145 -18.255 7.112 1.00 0.00 C ATOM 692 CD GLU A 46 2.127 -19.364 7.484 1.00 0.00 C ATOM 693 OE1 GLU A 46 3.259 -19.396 6.952 1.00 0.00 O ATOM 694 OE2 GLU A 46 1.722 -20.226 8.299 1.00 0.00 O ATOM 0 H GLU A 46 0.606 -16.422 3.327 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.949 -17.797 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.334 -18.852 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.042 -17.290 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.379 -17.357 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.136 -18.557 7.392 1.00 0.00 H new ATOM 701 N GLY A 47 -0.468 -15.617 6.912 1.00 0.00 N ATOM 702 CA GLY A 47 -0.451 -14.318 7.567 1.00 0.00 C ATOM 703 C GLY A 47 0.930 -13.921 8.074 1.00 0.00 C ATOM 704 O GLY A 47 1.009 -12.961 8.839 1.00 0.00 O ATOM 0 H GLY A 47 -0.655 -16.388 7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.806 -13.561 6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.149 -14.331 8.404 1.00 0.00 H new ATOM 708 N ILE A 48 1.990 -14.662 7.729 1.00 0.00 N ATOM 709 CA ILE A 48 3.385 -14.299 7.955 1.00 0.00 C ATOM 710 C ILE A 48 3.628 -12.832 7.546 1.00 0.00 C ATOM 711 O ILE A 48 3.614 -12.539 6.346 1.00 0.00 O ATOM 712 CB ILE A 48 4.339 -15.357 7.334 1.00 0.00 C ATOM 713 CG1 ILE A 48 4.505 -16.480 8.387 1.00 0.00 C ATOM 714 CG2 ILE A 48 5.697 -14.793 6.884 1.00 0.00 C ATOM 715 CD1 ILE A 48 5.590 -17.523 8.107 1.00 0.00 C ATOM 0 H ILE A 48 1.890 -15.566 7.267 1.00 0.00 H new ATOM 0 HA ILE A 48 3.624 -14.327 9.018 1.00 0.00 H new ATOM 0 HB ILE A 48 3.898 -15.735 6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.718 -16.016 9.350 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.551 -16.998 8.487 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.303 -15.595 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.539 -14.023 6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.213 -14.361 7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.608 -18.255 8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.375 -18.028 7.165 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.560 -17.030 8.042 1.00 0.00 H new ATOM 727 N PRO A 49 3.776 -11.901 8.506 1.00 0.00 N ATOM 728 CA PRO A 49 4.009 -10.497 8.216 1.00 0.00 C ATOM 729 C PRO A 49 5.484 -10.279 7.870 1.00 0.00 C ATOM 730 O PRO A 49 6.321 -11.136 8.163 1.00 0.00 O ATOM 731 CB PRO A 49 3.640 -9.789 9.514 1.00 0.00 C ATOM 732 CG PRO A 49 4.099 -10.766 10.594 1.00 0.00 C ATOM 733 CD PRO A 49 3.869 -12.130 9.947 1.00 0.00 C ATOM 0 HA PRO A 49 3.432 -10.127 7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.143 -8.826 9.603 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.569 -9.596 9.576 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.146 -10.615 10.855 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.522 -10.653 11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.688 -12.811 10.179 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.956 -12.589 10.326 1.00 0.00 H new ATOM 741 N ILE A 50 5.824 -9.128 7.290 1.00 0.00 N ATOM 742 CA ILE A 50 7.194 -8.745 6.984 1.00 0.00 C ATOM 743 C ILE A 50 7.444 -7.409 7.700 1.00 0.00 C ATOM 744 O ILE A 50 7.956 -7.412 8.827 1.00 0.00 O ATOM 745 CB ILE A 50 7.466 -8.839 5.455 1.00 0.00 C ATOM 746 CG1 ILE A 50 7.797 -10.302 5.061 1.00 0.00 C ATOM 747 CG2 ILE A 50 8.631 -7.963 4.964 1.00 0.00 C ATOM 748 CD1 ILE A 50 6.572 -11.147 4.717 1.00 0.00 C ATOM 0 H ILE A 50 5.138 -8.425 7.016 1.00 0.00 H new ATOM 0 HA ILE A 50 7.951 -9.429 7.368 1.00 0.00 H new ATOM 0 HB ILE A 50 6.551 -8.479 4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.471 -10.293 4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.333 -10.776 5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.752 -8.088 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.419 -6.917 5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.549 -8.262 5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.889 -12.156 4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.906 -11.190 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.046 -10.699 3.874 1.00 0.00 H new ATOM 760 N PHE A 51 7.048 -6.270 7.127 1.00 0.00 N ATOM 761 CA PHE A 51 7.112 -4.972 7.787 1.00 0.00 C ATOM 762 C PHE A 51 5.972 -4.087 7.296 1.00 0.00 C ATOM 763 O PHE A 51 5.414 -4.331 6.219 1.00 0.00 O ATOM 764 CB PHE A 51 8.496 -4.311 7.572 1.00 0.00 C ATOM 765 CG PHE A 51 8.840 -3.860 6.156 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.334 -2.646 5.658 1.00 0.00 C ATOM 767 CD2 PHE A 51 9.712 -4.613 5.344 1.00 0.00 C ATOM 768 CE1 PHE A 51 8.642 -2.229 4.351 1.00 0.00 C ATOM 769 CE2 PHE A 51 10.040 -4.174 4.045 1.00 0.00 C ATOM 770 CZ PHE A 51 9.506 -2.969 3.549 1.00 0.00 C ATOM 0 H PHE A 51 6.670 -6.227 6.181 1.00 0.00 H new ATOM 0 HA PHE A 51 6.992 -5.109 8.862 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.562 -3.443 8.228 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.261 -5.016 7.898 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.705 -2.030 6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 51 10.132 -5.534 5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.202 -1.322 3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.703 -4.763 3.429 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.764 -2.623 2.559 1.00 0.00 H new ATOM 780 N GLU A 52 5.695 -3.013 8.042 1.00 0.00 N ATOM 781 CA GLU A 52 4.877 -1.897 7.586 1.00 0.00 C ATOM 782 C GLU A 52 5.767 -0.658 7.564 1.00 0.00 C ATOM 783 O GLU A 52 6.466 -0.372 8.545 1.00 0.00 O ATOM 784 CB GLU A 52 3.571 -1.748 8.387 1.00 0.00 C ATOM 785 CG GLU A 52 3.542 -0.757 9.561 1.00 0.00 C ATOM 786 CD GLU A 52 2.773 -1.339 10.727 1.00 0.00 C ATOM 787 OE1 GLU A 52 3.407 -2.093 11.510 1.00 0.00 O ATOM 788 OE2 GLU A 52 1.560 -1.059 10.852 1.00 0.00 O ATOM 0 H GLU A 52 6.041 -2.898 8.995 1.00 0.00 H new ATOM 0 HA GLU A 52 4.511 -2.073 6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.785 -1.459 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.306 -2.731 8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.560 -0.521 9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.081 0.178 9.244 1.00 0.00 H new ATOM 795 N ASP A 53 5.847 -0.020 6.405 1.00 0.00 N ATOM 796 CA ASP A 53 6.577 1.219 6.153 1.00 0.00 C ATOM 797 C ASP A 53 5.557 2.350 6.000 1.00 0.00 C ATOM 798 O ASP A 53 4.384 2.094 5.695 1.00 0.00 O ATOM 799 CB ASP A 53 7.526 0.960 4.981 1.00 0.00 C ATOM 800 CG ASP A 53 8.492 2.053 4.527 1.00 0.00 C ATOM 801 OD1 ASP A 53 8.139 3.246 4.493 1.00 0.00 O ATOM 802 OD2 ASP A 53 9.578 1.689 4.025 1.00 0.00 O ATOM 0 H ASP A 53 5.380 -0.370 5.569 1.00 0.00 H new ATOM 0 HA ASP A 53 7.220 1.548 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.123 0.084 5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.913 0.690 4.121 1.00 0.00 H new ATOM 807 N PHE A 54 5.972 3.589 6.237 1.00 0.00 N ATOM 808 CA PHE A 54 5.111 4.756 6.171 1.00 0.00 C ATOM 809 C PHE A 54 5.736 5.786 5.249 1.00 0.00 C ATOM 810 O PHE A 54 6.961 5.922 5.180 1.00 0.00 O ATOM 811 CB PHE A 54 4.967 5.350 7.582 1.00 0.00 C ATOM 812 CG PHE A 54 3.548 5.384 8.095 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.675 6.399 7.665 1.00 0.00 C ATOM 814 CD2 PHE A 54 3.116 4.430 9.033 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.380 6.477 8.200 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.835 4.526 9.594 1.00 0.00 C ATOM 817 CZ PHE A 54 0.975 5.556 9.183 1.00 0.00 C ATOM 0 H PHE A 54 6.936 3.811 6.485 1.00 0.00 H new ATOM 0 HA PHE A 54 4.130 4.475 5.788 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.578 4.769 8.273 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.365 6.365 7.580 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.000 7.116 6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.772 3.622 9.322 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.697 7.241 7.858 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.512 3.812 10.337 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.006 5.642 9.625 1.00 0.00 H new ATOM 827 N VAL A 55 4.897 6.630 4.657 1.00 0.00 N ATOM 828 CA VAL A 55 5.355 7.706 3.805 1.00 0.00 C ATOM 829 C VAL A 55 4.796 9.029 4.340 1.00 0.00 C ATOM 830 O VAL A 55 4.153 9.074 5.393 1.00 0.00 O ATOM 831 CB VAL A 55 5.012 7.371 2.329 1.00 0.00 C ATOM 832 CG1 VAL A 55 6.286 6.925 1.598 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.890 6.347 2.087 1.00 0.00 C ATOM 0 H VAL A 55 3.883 6.582 4.758 1.00 0.00 H new ATOM 0 HA VAL A 55 6.439 7.822 3.821 1.00 0.00 H new ATOM 0 HB VAL A 55 4.608 8.301 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.047 6.689 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.022 7.728 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.695 6.040 2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.752 6.205 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.159 5.396 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.962 6.713 2.527 1.00 0.00 H new ATOM 843 N ASP A 56 5.076 10.114 3.618 1.00 0.00 N ATOM 844 CA ASP A 56 5.056 11.464 4.169 1.00 0.00 C ATOM 845 C ASP A 56 3.634 11.919 4.492 1.00 0.00 C ATOM 846 O ASP A 56 3.309 12.172 5.648 1.00 0.00 O ATOM 847 CB ASP A 56 5.743 12.406 3.170 1.00 0.00 C ATOM 848 CG ASP A 56 6.193 13.699 3.837 1.00 0.00 C ATOM 849 OD1 ASP A 56 7.339 13.723 4.344 1.00 0.00 O ATOM 850 OD2 ASP A 56 5.441 14.692 3.797 1.00 0.00 O ATOM 0 H ASP A 56 5.324 10.078 2.629 1.00 0.00 H new ATOM 0 HA ASP A 56 5.599 11.481 5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.605 11.904 2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.057 12.636 2.355 1.00 0.00 H new ATOM 855 N SER A 57 2.803 11.982 3.450 1.00 0.00 N ATOM 856 CA SER A 57 1.437 12.501 3.336 1.00 0.00 C ATOM 857 C SER A 57 1.162 12.931 1.894 1.00 0.00 C ATOM 858 O SER A 57 0.015 12.865 1.450 1.00 0.00 O ATOM 859 CB SER A 57 1.122 13.635 4.329 1.00 0.00 C ATOM 860 OG SER A 57 2.097 14.657 4.266 1.00 0.00 O ATOM 0 H SER A 57 3.113 11.623 2.547 1.00 0.00 H new ATOM 0 HA SER A 57 0.765 11.687 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.140 14.052 4.108 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.078 13.233 5.341 1.00 0.00 H new ATOM 0 HG SER A 57 1.871 15.364 4.906 1.00 0.00 H new ATOM 866 N SER A 58 2.225 13.208 1.133 1.00 0.00 N ATOM 867 CA SER A 58 2.231 13.933 -0.134 1.00 0.00 C ATOM 868 C SER A 58 2.864 13.106 -1.266 1.00 0.00 C ATOM 869 O SER A 58 3.089 13.594 -2.374 1.00 0.00 O ATOM 870 CB SER A 58 3.018 15.217 0.130 1.00 0.00 C ATOM 871 OG SER A 58 4.351 14.848 0.450 1.00 0.00 O ATOM 0 H SER A 58 3.162 12.912 1.406 1.00 0.00 H new ATOM 0 HA SER A 58 1.216 14.147 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.000 15.864 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.570 15.779 0.949 1.00 0.00 H new ATOM 0 HG SER A 58 4.881 15.654 0.623 1.00 0.00 H new ATOM 877 N VAL A 59 3.164 11.835 -0.996 1.00 0.00 N ATOM 878 CA VAL A 59 3.787 10.914 -1.941 1.00 0.00 C ATOM 879 C VAL A 59 2.759 10.477 -2.987 1.00 0.00 C ATOM 880 O VAL A 59 1.630 10.146 -2.605 1.00 0.00 O ATOM 881 CB VAL A 59 4.310 9.703 -1.139 1.00 0.00 C ATOM 882 CG1 VAL A 59 4.771 8.539 -2.024 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.481 10.139 -0.253 1.00 0.00 C ATOM 0 H VAL A 59 2.974 11.409 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 59 4.614 11.391 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 59 3.472 9.345 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.126 7.722 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.936 8.192 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.579 8.874 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.848 9.282 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.283 10.533 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.146 10.913 0.438 1.00 0.00 H new ATOM 893 N GLY A 60 3.160 10.383 -4.261 1.00 0.00 N ATOM 894 CA GLY A 60 2.474 9.585 -5.278 1.00 0.00 C ATOM 895 C GLY A 60 3.297 8.412 -5.835 1.00 0.00 C ATOM 896 O GLY A 60 2.767 7.574 -6.569 1.00 0.00 O ATOM 0 H GLY A 60 3.984 10.868 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.551 9.193 -4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.192 10.238 -6.104 1.00 0.00 H new ATOM 900 N TYR A 61 4.569 8.281 -5.454 1.00 0.00 N ATOM 901 CA TYR A 61 5.480 7.231 -5.928 1.00 0.00 C ATOM 902 C TYR A 61 6.345 6.715 -4.763 1.00 0.00 C ATOM 903 O TYR A 61 7.100 7.511 -4.188 1.00 0.00 O ATOM 904 CB TYR A 61 6.370 7.747 -7.072 1.00 0.00 C ATOM 905 CG TYR A 61 7.075 6.612 -7.794 1.00 0.00 C ATOM 906 CD1 TYR A 61 6.373 5.892 -8.773 1.00 0.00 C ATOM 907 CD2 TYR A 61 8.375 6.210 -7.437 1.00 0.00 C ATOM 908 CE1 TYR A 61 6.932 4.741 -9.355 1.00 0.00 C ATOM 909 CE2 TYR A 61 8.942 5.055 -8.006 1.00 0.00 C ATOM 910 CZ TYR A 61 8.210 4.302 -8.951 1.00 0.00 C ATOM 911 OH TYR A 61 8.724 3.160 -9.485 1.00 0.00 O ATOM 0 H TYR A 61 5.008 8.918 -4.789 1.00 0.00 H new ATOM 0 HA TYR A 61 4.881 6.407 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.761 8.307 -7.782 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.111 8.439 -6.672 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.393 6.226 -9.082 1.00 0.00 H new ATOM 0 HD2 TYR A 61 8.940 6.791 -6.723 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.385 4.195 -10.109 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.936 4.744 -7.721 1.00 0.00 H new ATOM 0 HH TYR A 61 9.612 2.993 -9.106 1.00 0.00 H new ATOM 921 N TYR A 62 6.296 5.416 -4.436 1.00 0.00 N ATOM 922 CA TYR A 62 7.155 4.797 -3.393 1.00 0.00 C ATOM 923 C TYR A 62 7.713 3.493 -3.972 1.00 0.00 C ATOM 924 O TYR A 62 7.307 3.061 -5.049 1.00 0.00 O ATOM 925 CB TYR A 62 6.403 4.641 -2.039 1.00 0.00 C ATOM 926 CG TYR A 62 7.022 3.733 -0.959 1.00 0.00 C ATOM 927 CD1 TYR A 62 8.345 3.938 -0.511 1.00 0.00 C ATOM 928 CD2 TYR A 62 6.289 2.684 -0.361 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.956 3.039 0.383 1.00 0.00 C ATOM 930 CE2 TYR A 62 6.895 1.771 0.515 1.00 0.00 C ATOM 931 CZ TYR A 62 8.249 1.915 0.862 1.00 0.00 C ATOM 932 OH TYR A 62 8.838 0.962 1.633 1.00 0.00 O ATOM 0 H TYR A 62 5.661 4.755 -4.883 1.00 0.00 H new ATOM 0 HA TYR A 62 7.996 5.443 -3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.284 5.635 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.403 4.265 -2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.897 4.798 -0.860 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.237 2.582 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.973 3.210 0.705 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.319 0.954 0.924 1.00 0.00 H new ATOM 0 HH TYR A 62 9.467 1.386 2.254 1.00 0.00 H new ATOM 942 N THR A 63 8.705 2.886 -3.330 1.00 0.00 N ATOM 943 CA THR A 63 9.301 1.614 -3.729 1.00 0.00 C ATOM 944 C THR A 63 9.624 0.818 -2.463 1.00 0.00 C ATOM 945 O THR A 63 10.391 1.261 -1.603 1.00 0.00 O ATOM 946 CB THR A 63 10.514 1.876 -4.640 1.00 0.00 C ATOM 947 OG1 THR A 63 10.067 2.511 -5.826 1.00 0.00 O ATOM 948 CG2 THR A 63 11.232 0.600 -5.082 1.00 0.00 C ATOM 0 H THR A 63 9.131 3.278 -2.490 1.00 0.00 H new ATOM 0 HA THR A 63 8.614 1.009 -4.321 1.00 0.00 H new ATOM 0 HB THR A 63 11.206 2.484 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.833 2.684 -6.413 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.076 0.860 -5.721 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.593 0.063 -4.205 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.539 -0.034 -5.636 1.00 0.00 H new ATOM 956 N VAL A 64 8.999 -0.350 -2.330 1.00 0.00 N ATOM 957 CA VAL A 64 9.199 -1.244 -1.206 1.00 0.00 C ATOM 958 C VAL A 64 10.430 -2.066 -1.552 1.00 0.00 C ATOM 959 O VAL A 64 10.635 -2.436 -2.710 1.00 0.00 O ATOM 960 CB VAL A 64 7.983 -2.168 -0.968 1.00 0.00 C ATOM 961 CG1 VAL A 64 7.904 -2.592 0.502 1.00 0.00 C ATOM 962 CG2 VAL A 64 6.630 -1.557 -1.345 1.00 0.00 C ATOM 0 H VAL A 64 8.330 -0.702 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 64 9.324 -0.677 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 64 8.158 -3.018 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.041 -3.242 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.813 -3.129 0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.802 -1.708 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.837 -2.277 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.461 -0.656 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.628 -1.302 -2.405 1.00 0.00 H new ATOM 972 N THR A 65 11.233 -2.366 -0.546 1.00 0.00 N ATOM 973 CA THR A 65 12.408 -3.211 -0.651 1.00 0.00 C ATOM 974 C THR A 65 12.231 -4.308 0.412 1.00 0.00 C ATOM 975 O THR A 65 11.163 -4.412 1.025 1.00 0.00 O ATOM 976 CB THR A 65 13.677 -2.348 -0.451 1.00 0.00 C ATOM 977 OG1 THR A 65 13.492 -1.000 -0.860 1.00 0.00 O ATOM 978 CG2 THR A 65 14.891 -2.889 -1.213 1.00 0.00 C ATOM 0 H THR A 65 11.079 -2.015 0.399 1.00 0.00 H new ATOM 0 HA THR A 65 12.523 -3.678 -1.629 1.00 0.00 H new ATOM 0 HB THR A 65 13.862 -2.393 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.320 -0.497 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 65 15.750 -2.243 -1.034 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.118 -3.898 -0.867 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.670 -2.912 -2.280 1.00 0.00 H new ATOM 986 N GLY A 66 13.241 -5.139 0.658 1.00 0.00 N ATOM 987 CA GLY A 66 13.161 -6.151 1.701 1.00 0.00 C ATOM 988 C GLY A 66 12.265 -7.315 1.304 1.00 0.00 C ATOM 989 O GLY A 66 11.666 -7.944 2.178 1.00 0.00 O ATOM 0 H GLY A 66 14.124 -5.129 0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.161 -6.523 1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.781 -5.698 2.616 1.00 0.00 H new ATOM 993 N LEU A 67 12.117 -7.571 0.003 1.00 0.00 N ATOM 994 CA LEU A 67 11.546 -8.803 -0.513 1.00 0.00 C ATOM 995 C LEU A 67 12.620 -9.896 -0.612 1.00 0.00 C ATOM 996 O LEU A 67 13.817 -9.610 -0.582 1.00 0.00 O ATOM 997 CB LEU A 67 10.907 -8.496 -1.881 1.00 0.00 C ATOM 998 CG LEU A 67 9.374 -8.491 -1.788 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.748 -7.655 -2.902 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.861 -9.926 -1.826 1.00 0.00 C ATOM 0 H LEU A 67 12.396 -6.915 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 67 10.779 -9.183 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.256 -7.527 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.228 -9.240 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 67 9.082 -8.031 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.662 -7.674 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.101 -6.626 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.033 -8.067 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.773 -9.925 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.168 -10.397 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.275 -10.483 -0.985 1.00 0.00 H new ATOM 1012 N GLU A 68 12.195 -11.142 -0.778 1.00 0.00 N ATOM 1013 CA GLU A 68 12.968 -12.266 -1.296 1.00 0.00 C ATOM 1014 C GLU A 68 12.100 -13.001 -2.320 1.00 0.00 C ATOM 1015 O GLU A 68 10.923 -13.232 -2.026 1.00 0.00 O ATOM 1016 CB GLU A 68 13.413 -13.204 -0.165 1.00 0.00 C ATOM 1017 CG GLU A 68 14.650 -14.033 -0.549 1.00 0.00 C ATOM 1018 CD GLU A 68 15.001 -15.150 0.441 1.00 0.00 C ATOM 1019 OE1 GLU A 68 15.300 -14.867 1.621 1.00 0.00 O ATOM 1020 OE2 GLU A 68 15.104 -16.327 0.009 1.00 0.00 O ATOM 0 H GLU A 68 11.241 -11.413 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 68 13.879 -11.904 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.634 -12.616 0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.593 -13.875 0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.485 -14.475 -1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.506 -13.364 -0.640 1.00 0.00 H new ATOM 1027 N PRO A 69 12.631 -13.381 -3.494 1.00 0.00 N ATOM 1028 CA PRO A 69 11.855 -14.073 -4.513 1.00 0.00 C ATOM 1029 C PRO A 69 11.430 -15.475 -4.072 1.00 0.00 C ATOM 1030 O PRO A 69 11.966 -16.059 -3.129 1.00 0.00 O ATOM 1031 CB PRO A 69 12.739 -14.101 -5.766 1.00 0.00 C ATOM 1032 CG PRO A 69 14.153 -13.980 -5.213 1.00 0.00 C ATOM 1033 CD PRO A 69 13.972 -13.097 -3.981 1.00 0.00 C ATOM 0 HA PRO A 69 10.916 -13.554 -4.706 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.607 -15.025 -6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.502 -13.279 -6.442 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.568 -14.954 -4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.831 -13.527 -5.937 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.721 -13.323 -3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.083 -12.043 -4.234 1.00 0.00 H new ATOM 1041 N GLY A 70 10.480 -16.039 -4.812 1.00 0.00 N ATOM 1042 CA GLY A 70 10.009 -17.409 -4.729 1.00 0.00 C ATOM 1043 C GLY A 70 8.570 -17.482 -4.236 1.00 0.00 C ATOM 1044 O GLY A 70 7.864 -18.414 -4.619 1.00 0.00 O ATOM 0 H GLY A 70 9.988 -15.511 -5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.082 -17.879 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.653 -17.975 -4.056 1.00 0.00 H new ATOM 1048 N ILE A 71 8.122 -16.518 -3.431 1.00 0.00 N ATOM 1049 CA ILE A 71 6.804 -16.511 -2.798 1.00 0.00 C ATOM 1050 C ILE A 71 6.025 -15.317 -3.362 1.00 0.00 C ATOM 1051 O ILE A 71 6.582 -14.456 -4.048 1.00 0.00 O ATOM 1052 CB ILE A 71 6.954 -16.533 -1.253 1.00 0.00 C ATOM 1053 CG1 ILE A 71 7.901 -17.642 -0.742 1.00 0.00 C ATOM 1054 CG2 ILE A 71 5.618 -16.675 -0.499 1.00 0.00 C ATOM 1055 CD1 ILE A 71 7.435 -19.080 -1.004 1.00 0.00 C ATOM 0 H ILE A 71 8.682 -15.698 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 71 6.227 -17.407 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 71 7.385 -15.555 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.877 -17.505 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.038 -17.513 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.805 -16.683 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.969 -15.836 -0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.134 -17.607 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.171 -19.779 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.475 -19.246 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.328 -19.238 -2.077 1.00 0.00 H new ATOM 1067 N ASP A 72 4.714 -15.316 -3.143 1.00 0.00 N ATOM 1068 CA ASP A 72 3.814 -14.230 -3.501 1.00 0.00 C ATOM 1069 C ASP A 72 3.627 -13.361 -2.265 1.00 0.00 C ATOM 1070 O ASP A 72 3.622 -13.882 -1.150 1.00 0.00 O ATOM 1071 CB ASP A 72 2.500 -14.830 -3.995 1.00 0.00 C ATOM 1072 CG ASP A 72 1.625 -13.803 -4.701 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.270 -12.786 -4.076 1.00 0.00 O ATOM 1074 OD2 ASP A 72 1.249 -14.085 -5.863 1.00 0.00 O ATOM 0 H ASP A 72 4.235 -16.098 -2.697 1.00 0.00 H new ATOM 0 HA ASP A 72 4.213 -13.609 -4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.713 -15.653 -4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.954 -15.249 -3.150 1.00 0.00 H new ATOM 1079 N TYR A 73 3.531 -12.048 -2.427 1.00 0.00 N ATOM 1080 CA TYR A 73 3.408 -11.102 -1.335 1.00 0.00 C ATOM 1081 C TYR A 73 2.141 -10.284 -1.567 1.00 0.00 C ATOM 1082 O TYR A 73 1.934 -9.716 -2.639 1.00 0.00 O ATOM 1083 CB TYR A 73 4.673 -10.236 -1.222 1.00 0.00 C ATOM 1084 CG TYR A 73 5.813 -10.826 -0.395 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.390 -12.071 -0.717 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.365 -10.078 0.663 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.467 -12.577 0.032 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.472 -10.553 1.386 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.013 -11.823 1.090 1.00 0.00 C ATOM 1090 OH TYR A 73 9.083 -12.322 1.770 1.00 0.00 O ATOM 0 H TYR A 73 3.537 -11.604 -3.345 1.00 0.00 H new ATOM 0 HA TYR A 73 3.319 -11.616 -0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.044 -10.037 -2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.395 -9.275 -0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.001 -12.642 -1.547 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.930 -9.124 0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.878 -13.548 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.908 -9.948 2.167 1.00 0.00 H new ATOM 0 HH TYR A 73 9.349 -11.690 2.470 1.00 0.00 H new ATOM 1100 N ASP A 74 1.282 -10.219 -0.548 1.00 0.00 N ATOM 1101 CA ASP A 74 0.110 -9.357 -0.548 1.00 0.00 C ATOM 1102 C ASP A 74 0.562 -8.013 -0.016 1.00 0.00 C ATOM 1103 O ASP A 74 0.643 -7.817 1.205 1.00 0.00 O ATOM 1104 CB ASP A 74 -1.046 -9.910 0.299 1.00 0.00 C ATOM 1105 CG ASP A 74 -2.125 -10.680 -0.460 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -2.482 -10.304 -1.597 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.783 -11.531 0.181 1.00 0.00 O ATOM 0 H ASP A 74 1.385 -10.769 0.305 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.285 -9.284 -1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.629 -10.566 1.063 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.520 -9.077 0.819 1.00 0.00 H new ATOM 1112 N ILE A 75 0.895 -7.102 -0.927 1.00 0.00 N ATOM 1113 CA ILE A 75 1.387 -5.790 -0.558 1.00 0.00 C ATOM 1114 C ILE A 75 0.165 -4.902 -0.308 1.00 0.00 C ATOM 1115 O ILE A 75 -0.559 -4.534 -1.238 1.00 0.00 O ATOM 1116 CB ILE A 75 2.409 -5.234 -1.578 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.471 -6.272 -2.028 1.00 0.00 C ATOM 1118 CG2 ILE A 75 3.037 -3.948 -0.997 1.00 0.00 C ATOM 1119 CD1 ILE A 75 3.202 -6.841 -3.425 1.00 0.00 C ATOM 0 H ILE A 75 0.830 -7.257 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 75 1.971 -5.831 0.361 1.00 0.00 H new ATOM 0 HB ILE A 75 1.877 -4.992 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.455 -5.804 -2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.498 -7.090 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.760 -3.544 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.255 -3.211 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.540 -4.181 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.980 -7.561 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.231 -7.337 -3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.203 -6.031 -4.154 1.00 0.00 H new ATOM 1131 N SER A 76 -0.143 -4.631 0.956 1.00 0.00 N ATOM 1132 CA SER A 76 -1.224 -3.742 1.365 1.00 0.00 C ATOM 1133 C SER A 76 -0.727 -2.315 1.450 1.00 0.00 C ATOM 1134 O SER A 76 0.426 -2.079 1.799 1.00 0.00 O ATOM 1135 CB SER A 76 -1.812 -4.191 2.695 1.00 0.00 C ATOM 1136 OG SER A 76 -2.041 -5.586 2.725 1.00 0.00 O ATOM 0 H SER A 76 0.365 -5.034 1.744 1.00 0.00 H new ATOM 0 HA SER A 76 -2.013 -3.786 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.134 -3.917 3.503 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.750 -3.665 2.874 1.00 0.00 H new ATOM 0 HG SER A 76 -2.417 -5.837 3.594 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.591 -1.350 1.161 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.227 0.058 1.065 1.00 0.00 C ATOM 1144 C VAL A 77 -2.424 0.853 1.582 1.00 0.00 C ATOM 1145 O VAL A 77 -3.241 1.346 0.807 1.00 0.00 O ATOM 1146 CB VAL A 77 -0.834 0.411 -0.386 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.369 1.884 -0.476 1.00 0.00 C ATOM 1148 CG2 VAL A 77 0.193 -0.577 -0.994 1.00 0.00 C ATOM 0 H VAL A 77 -2.580 -1.526 0.984 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.351 0.302 1.667 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.727 0.303 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.096 2.117 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.178 2.541 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.495 2.033 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.428 -0.275 -2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.103 -0.570 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.229 -1.582 -1.001 1.00 0.00 H new ATOM 1158 N ILE A 78 -2.599 0.913 2.896 1.00 0.00 N ATOM 1159 CA ILE A 78 -3.791 1.487 3.499 1.00 0.00 C ATOM 1160 C ILE A 78 -3.572 2.995 3.580 1.00 0.00 C ATOM 1161 O ILE A 78 -2.503 3.468 3.970 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.066 0.784 4.848 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.546 -0.655 4.529 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.117 1.512 5.701 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.197 -1.395 5.698 1.00 0.00 C ATOM 0 H ILE A 78 -1.918 0.565 3.571 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.695 1.327 2.911 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.149 0.784 5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.259 -0.610 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.693 -1.237 4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.266 0.970 6.635 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.772 2.523 5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.059 1.560 5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.499 -2.391 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.484 -1.479 6.518 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.074 -0.842 6.036 1.00 0.00 H new ATOM 1177 N THR A 79 -4.582 3.761 3.178 1.00 0.00 N ATOM 1178 CA THR A 79 -4.621 5.205 3.309 1.00 0.00 C ATOM 1179 C THR A 79 -5.359 5.509 4.608 1.00 0.00 C ATOM 1180 O THR A 79 -6.368 4.858 4.913 1.00 0.00 O ATOM 1181 CB THR A 79 -5.358 5.726 2.077 1.00 0.00 C ATOM 1182 OG1 THR A 79 -4.606 5.345 0.947 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.546 7.240 2.038 1.00 0.00 C ATOM 0 H THR A 79 -5.419 3.377 2.739 1.00 0.00 H new ATOM 0 HA THR A 79 -3.641 5.680 3.356 1.00 0.00 H new ATOM 0 HB THR A 79 -6.360 5.299 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.206 5.213 0.184 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.078 7.517 1.128 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.123 7.558 2.907 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.571 7.728 2.051 1.00 0.00 H new ATOM 1191 N LEU A 80 -4.836 6.465 5.377 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.369 6.872 6.657 1.00 0.00 C ATOM 1193 C LEU A 80 -5.417 8.396 6.683 1.00 0.00 C ATOM 1194 O LEU A 80 -4.386 9.070 6.619 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.533 6.346 7.815 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.008 6.282 7.620 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.327 6.621 8.950 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.583 4.890 7.150 1.00 0.00 C ATOM 0 H LEU A 80 -4.003 6.988 5.108 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.368 6.453 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.735 6.970 8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.884 5.342 8.054 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.710 7.001 6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.245 6.579 8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.618 7.624 9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.633 5.901 9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.501 4.865 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.875 4.150 7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.070 4.662 6.202 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.631 8.932 6.720 1.00 0.00 N ATOM 1211 CA ILE A 81 -6.947 10.347 6.608 1.00 0.00 C ATOM 1212 C ILE A 81 -7.423 10.855 7.977 1.00 0.00 C ATOM 1213 O ILE A 81 -7.449 10.084 8.939 1.00 0.00 O ATOM 1214 CB ILE A 81 -7.936 10.587 5.424 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.421 10.424 5.815 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.644 9.655 4.226 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.435 10.941 4.792 1.00 0.00 C ATOM 0 H ILE A 81 -7.466 8.358 6.835 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.068 10.939 6.354 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.768 11.626 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.617 9.367 5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.588 10.942 6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.356 9.857 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.631 9.834 3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.738 8.616 4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.445 10.777 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.277 12.007 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.306 10.407 3.850 1.00 0.00 H new ATOM 1229 N ASN A 82 -7.853 12.126 8.028 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.656 12.700 9.109 1.00 0.00 C ATOM 1231 C ASN A 82 -9.628 11.660 9.678 1.00 0.00 C ATOM 1232 O ASN A 82 -10.634 11.339 9.041 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.487 13.881 8.560 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.531 14.328 9.577 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -10.232 15.063 10.513 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.769 13.893 9.425 1.00 0.00 N ATOM 0 H ASN A 82 -7.642 12.800 7.292 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.978 13.033 9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.827 14.715 8.319 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.979 13.586 7.633 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.491 14.168 10.091 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.003 13.283 8.642 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.308 11.134 10.864 1.00 0.00 N ATOM 1244 CA GLY A 83 -10.165 10.287 11.671 1.00 0.00 C ATOM 1245 C GLY A 83 -10.838 9.144 10.916 1.00 0.00 C ATOM 1246 O GLY A 83 -11.961 8.785 11.287 1.00 0.00 O ATOM 0 H GLY A 83 -8.401 11.300 11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.573 9.867 12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.938 10.906 12.126 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.230 8.616 9.850 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.857 7.631 8.992 1.00 0.00 C ATOM 1252 C GLY A 84 -9.818 6.920 8.128 1.00 0.00 C ATOM 1253 O GLY A 84 -8.865 7.530 7.653 1.00 0.00 O ATOM 0 H GLY A 84 -9.284 8.867 9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.391 6.901 9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.596 8.116 8.354 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.033 5.637 7.880 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.188 4.747 7.094 1.00 0.00 C ATOM 1259 C GLU A 85 -9.965 4.425 5.816 1.00 0.00 C ATOM 1260 O GLU A 85 -11.182 4.215 5.886 1.00 0.00 O ATOM 1261 CB GLU A 85 -8.943 3.481 7.937 1.00 0.00 C ATOM 1262 CG GLU A 85 -7.992 2.461 7.301 1.00 0.00 C ATOM 1263 CD GLU A 85 -8.098 1.095 7.989 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -8.991 0.289 7.631 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -7.318 0.827 8.930 1.00 0.00 O ATOM 0 H GLU A 85 -10.856 5.157 8.246 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.224 5.184 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.540 3.778 8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.901 2.996 8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.224 2.356 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.967 2.826 7.368 1.00 0.00 H new ATOM 1272 N SER A 86 -9.297 4.327 4.663 1.00 0.00 N ATOM 1273 CA SER A 86 -9.982 3.994 3.420 1.00 0.00 C ATOM 1274 C SER A 86 -10.130 2.478 3.314 1.00 0.00 C ATOM 1275 O SER A 86 -9.605 1.737 4.156 1.00 0.00 O ATOM 1276 CB SER A 86 -9.306 4.590 2.192 1.00 0.00 C ATOM 1277 OG SER A 86 -8.617 5.799 2.459 1.00 0.00 O ATOM 0 H SER A 86 -8.292 4.473 4.569 1.00 0.00 H new ATOM 0 HA SER A 86 -10.973 4.447 3.448 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.604 3.863 1.784 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.058 4.771 1.424 1.00 0.00 H new ATOM 0 HG SER A 86 -8.935 6.498 1.851 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.834 1.991 2.296 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.967 0.549 2.128 1.00 0.00 C ATOM 1285 C ALA A 87 -9.580 0.011 1.767 1.00 0.00 C ATOM 1286 O ALA A 87 -8.901 0.636 0.945 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.997 0.194 1.057 1.00 0.00 C ATOM 0 H ALA A 87 -11.309 2.557 1.593 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.329 0.094 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.066 -0.890 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.970 0.596 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.692 0.622 0.102 1.00 0.00 H new ATOM 1293 N PRO A 88 -9.128 -1.105 2.359 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.845 -1.680 2.007 1.00 0.00 C ATOM 1295 C PRO A 88 -7.918 -2.128 0.543 1.00 0.00 C ATOM 1296 O PRO A 88 -8.854 -2.822 0.144 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.625 -2.844 2.974 1.00 0.00 C ATOM 1298 CG PRO A 88 -9.037 -3.244 3.392 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.812 -1.928 3.344 1.00 0.00 C ATOM 0 HA PRO A 88 -7.010 -0.985 2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.101 -3.670 2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.024 -2.543 3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.461 -3.984 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.051 -3.681 4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.851 -2.096 3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.822 -1.443 4.320 1.00 0.00 H new ATOM 1307 N THR A 89 -6.949 -1.718 -0.261 1.00 0.00 N ATOM 1308 CA THR A 89 -6.711 -2.204 -1.602 1.00 0.00 C ATOM 1309 C THR A 89 -5.279 -2.720 -1.562 1.00 0.00 C ATOM 1310 O THR A 89 -4.317 -1.946 -1.559 1.00 0.00 O ATOM 1311 CB THR A 89 -6.936 -1.113 -2.657 1.00 0.00 C ATOM 1312 OG1 THR A 89 -8.101 -0.352 -2.374 1.00 0.00 O ATOM 1313 CG2 THR A 89 -7.067 -1.687 -4.067 1.00 0.00 C ATOM 0 H THR A 89 -6.278 -1.004 0.022 1.00 0.00 H new ATOM 0 HA THR A 89 -7.408 -2.989 -1.897 1.00 0.00 H new ATOM 0 HB THR A 89 -6.054 -0.474 -2.615 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.887 -0.936 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.225 -0.875 -4.777 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.155 -2.224 -4.327 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.915 -2.371 -4.104 1.00 0.00 H new ATOM 1321 N THR A 90 -5.150 -4.026 -1.419 1.00 0.00 N ATOM 1322 CA THR A 90 -3.893 -4.746 -1.496 1.00 0.00 C ATOM 1323 C THR A 90 -3.773 -5.225 -2.949 1.00 0.00 C ATOM 1324 O THR A 90 -4.771 -5.242 -3.676 1.00 0.00 O ATOM 1325 CB THR A 90 -4.024 -5.893 -0.479 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.093 -5.399 0.845 1.00 0.00 O ATOM 1327 CG2 THR A 90 -2.963 -6.990 -0.521 1.00 0.00 C ATOM 0 H THR A 90 -5.947 -4.637 -1.239 1.00 0.00 H new ATOM 0 HA THR A 90 -2.998 -4.171 -1.258 1.00 0.00 H new ATOM 0 HB THR A 90 -4.952 -6.370 -0.793 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.276 -5.642 1.328 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.177 -7.733 0.248 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.973 -7.468 -1.500 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.981 -6.553 -0.340 1.00 0.00 H new ATOM 1335 N LEU A 91 -2.583 -5.619 -3.393 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.429 -6.386 -4.622 1.00 0.00 C ATOM 1337 C LEU A 91 -1.494 -7.545 -4.305 1.00 0.00 C ATOM 1338 O LEU A 91 -0.506 -7.377 -3.590 1.00 0.00 O ATOM 1339 CB LEU A 91 -1.947 -5.501 -5.787 1.00 0.00 C ATOM 1340 CG LEU A 91 -3.058 -5.004 -6.729 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -2.518 -3.864 -7.603 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -3.593 -6.123 -7.630 1.00 0.00 C ATOM 0 H LEU A 91 -1.705 -5.417 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.385 -6.781 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.427 -4.636 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.219 -6.062 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.882 -4.651 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.305 -3.513 -8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.188 -3.043 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.677 -4.226 -8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.375 -5.726 -8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.781 -6.517 -8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.004 -6.922 -7.013 1.00 0.00 H new ATOM 1354 N THR A 92 -1.870 -8.717 -4.796 1.00 0.00 N ATOM 1355 CA THR A 92 -1.136 -9.967 -4.713 1.00 0.00 C ATOM 1356 C THR A 92 -0.147 -9.961 -5.882 1.00 0.00 C ATOM 1357 O THR A 92 -0.574 -9.685 -7.012 1.00 0.00 O ATOM 1358 CB THR A 92 -2.186 -11.088 -4.849 1.00 0.00 C ATOM 1359 OG1 THR A 92 -3.294 -10.858 -3.987 1.00 0.00 O ATOM 1360 CG2 THR A 92 -1.655 -12.478 -4.547 1.00 0.00 C ATOM 0 H THR A 92 -2.753 -8.825 -5.295 1.00 0.00 H new ATOM 0 HA THR A 92 -0.583 -10.108 -3.784 1.00 0.00 H new ATOM 0 HB THR A 92 -2.482 -11.057 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.015 -10.983 -3.056 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.456 -13.207 -4.666 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.844 -12.715 -5.235 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.283 -12.511 -3.523 1.00 0.00 H new ATOM 1368 N GLN A 93 1.147 -10.194 -5.656 1.00 0.00 N ATOM 1369 CA GLN A 93 2.130 -10.241 -6.732 1.00 0.00 C ATOM 1370 C GLN A 93 3.316 -11.103 -6.296 1.00 0.00 C ATOM 1371 O GLN A 93 3.666 -11.131 -5.117 1.00 0.00 O ATOM 1372 CB GLN A 93 2.573 -8.806 -7.078 1.00 0.00 C ATOM 1373 CG GLN A 93 3.013 -8.651 -8.538 1.00 0.00 C ATOM 1374 CD GLN A 93 1.844 -8.735 -9.528 1.00 0.00 C ATOM 1375 OE1 GLN A 93 1.075 -7.790 -9.699 1.00 0.00 O ATOM 1376 NE2 GLN A 93 1.687 -9.850 -10.225 1.00 0.00 N ATOM 0 H GLN A 93 1.538 -10.354 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 93 1.695 -10.688 -7.626 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.751 -8.119 -6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.396 -8.518 -6.424 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.517 -7.692 -8.660 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.741 -9.427 -8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.324 -10.634 -10.084 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.929 -9.925 -10.903 1.00 0.00 H new ATOM 1385 N GLN A 94 3.947 -11.803 -7.239 1.00 0.00 N ATOM 1386 CA GLN A 94 5.094 -12.653 -6.960 1.00 0.00 C ATOM 1387 C GLN A 94 6.395 -11.896 -7.201 1.00 0.00 C ATOM 1388 O GLN A 94 6.431 -10.823 -7.814 1.00 0.00 O ATOM 1389 CB GLN A 94 5.020 -13.941 -7.801 1.00 0.00 C ATOM 1390 CG GLN A 94 5.596 -15.156 -7.058 1.00 0.00 C ATOM 1391 CD GLN A 94 5.652 -16.426 -7.900 1.00 0.00 C ATOM 1392 OE1 GLN A 94 5.465 -16.424 -9.118 1.00 0.00 O ATOM 1393 NE2 GLN A 94 5.949 -17.543 -7.261 1.00 0.00 N ATOM 0 H GLN A 94 3.672 -11.793 -8.221 1.00 0.00 H new ATOM 0 HA GLN A 94 5.074 -12.940 -5.909 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.982 -14.139 -8.067 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.566 -13.796 -8.733 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.602 -14.916 -6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.992 -15.347 -6.171 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.101 -17.529 -6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.026 -18.420 -7.776 1.00 0.00 H new ATOM 1402 N THR A 95 7.473 -12.509 -6.735 1.00 0.00 N ATOM 1403 CA THR A 95 8.845 -12.081 -6.838 1.00 0.00 C ATOM 1404 C THR A 95 9.589 -13.337 -7.282 1.00 0.00 C ATOM 1405 O THR A 95 9.329 -14.425 -6.723 1.00 0.00 O ATOM 1406 CB THR A 95 9.242 -11.524 -5.458 1.00 0.00 C ATOM 1407 OG1 THR A 95 8.288 -10.582 -5.010 1.00 0.00 O ATOM 1408 CG2 THR A 95 10.587 -10.806 -5.476 1.00 0.00 C ATOM 1409 OXT THR A 95 10.309 -13.306 -8.301 1.00 0.00 O ATOM 0 H THR A 95 7.394 -13.394 -6.233 1.00 0.00 H new ATOM 0 HA THR A 95 9.062 -11.284 -7.549 1.00 0.00 H new ATOM 0 HB THR A 95 9.298 -12.390 -4.798 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.682 -11.009 -4.369 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.815 -10.435 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.366 -11.500 -5.791 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.543 -9.969 -6.173 1.00 0.00 H new TER 1417 THR A 95