USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 766 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 77 THR OG1 : rot 139:sc= 0.253 USER MOD Set 1.2: A 81 THR OG1 : rot 78:sc= 1.23 USER MOD Set 2.1: A 71 ASN :FLIP amide:sc= 0.665 F(o=0.39,f=1.7) USER MOD Set 2.2: A 73 THR OG1 : rot 88:sc= 1.07 USER MOD Single : A 6 TYR OH : rot 130:sc= -0.0669 USER MOD Single : A 7 ASN : amide:sc= -1.72 K(o=-1.7,f=-3.6!) USER MOD Single : A 11 MET CE :methyl 143:sc= -2.69 (180deg=-3.8!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -160:sc= -0.153 (180deg=-0.729) USER MOD Single : A 64 MET CE :methyl -113:sc= -0.208 (180deg=-2.44!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.507 USER MOD Single : A 69 SER OG : rot 145:sc= 1.19 USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= -0.0107 (180deg=-0.0982) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 68:sc= 1.24 USER MOD Single : A 90 ASN : amide:sc= 0.326 K(o=0.33,f=-1.5!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -2.26! C(o=-2.3!,f=-7.5!) USER MOD Single : A 102 SER OG : rot 180:sc= 0.00475 USER MOD Single : A 108 MET CE :methyl -172:sc= -0.652 (180deg=-0.822) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -175:sc= -1.66 (180deg=-1.96) USER MOD Single : A 124 SER OG : rot -39:sc= 0.338 USER MOD Single : A 125 GLN : amide:sc= -3.99! C(o=-4!,f=-5.9!) USER MOD Single : A 128 CYS SG : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 3 3.853 -15.089 7.102 1.00 0.00 N ATOM 23 CA ILE A 3 4.606 -13.843 6.986 1.00 0.00 C ATOM 24 C ILE A 3 3.951 -12.754 7.850 1.00 0.00 C ATOM 25 O ILE A 3 4.309 -11.576 7.783 1.00 0.00 O ATOM 26 CB ILE A 3 4.674 -13.395 5.498 1.00 0.00 C ATOM 27 CG1 ILE A 3 5.629 -12.200 5.312 1.00 0.00 C ATOM 28 CG2 ILE A 3 3.276 -13.066 4.970 1.00 0.00 C ATOM 29 CD1 ILE A 3 5.755 -11.730 3.874 1.00 0.00 C ATOM 0 HA ILE A 3 5.623 -14.006 7.343 1.00 0.00 H new ATOM 0 HB ILE A 3 5.074 -14.226 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.280 -11.370 5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.617 -12.476 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.345 -12.755 3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.642 -13.950 5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.844 -12.259 5.562 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.444 -10.887 3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.135 -12.544 3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.777 -11.421 3.505 1.00 0.00 H new ATOM 41 N ARG A 4 3.012 -13.177 8.696 1.00 0.00 N ATOM 42 CA ARG A 4 2.188 -12.254 9.481 1.00 0.00 C ATOM 43 C ARG A 4 3.057 -11.368 10.369 1.00 0.00 C ATOM 44 O ARG A 4 2.916 -10.146 10.377 1.00 0.00 O ATOM 45 CB ARG A 4 1.198 -13.033 10.358 1.00 0.00 C ATOM 46 CG ARG A 4 0.466 -14.151 9.625 1.00 0.00 C ATOM 47 CD ARG A 4 -0.474 -14.911 10.554 1.00 0.00 C ATOM 48 NE ARG A 4 -0.877 -16.192 9.980 1.00 0.00 N ATOM 49 CZ ARG A 4 -1.995 -16.843 10.289 1.00 0.00 C ATOM 50 NH1 ARG A 4 -2.870 -16.316 11.137 1.00 0.00 N ATOM 51 NH2 ARG A 4 -2.225 -18.028 9.743 1.00 0.00 N ATOM 0 H ARG A 4 2.801 -14.162 8.857 1.00 0.00 H new ATOM 0 HA ARG A 4 1.637 -11.624 8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.736 -13.459 11.205 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.464 -12.338 10.765 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.103 -13.731 8.795 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.192 -14.842 9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.018 -15.080 11.512 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.359 -14.306 10.752 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.256 -16.618 9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.688 -15.405 11.557 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.725 -16.822 11.368 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.549 -18.431 9.094 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.078 -18.538 9.971 1.00 0.00 H new ATOM 65 N ASP A 5 3.967 -12.003 11.104 1.00 0.00 N ATOM 66 CA ASP A 5 4.827 -11.304 12.056 1.00 0.00 C ATOM 67 C ASP A 5 5.645 -10.227 11.346 1.00 0.00 C ATOM 68 O ASP A 5 5.770 -9.108 11.842 1.00 0.00 O ATOM 69 CB ASP A 5 5.756 -12.294 12.779 1.00 0.00 C ATOM 70 CG ASP A 5 6.838 -12.874 11.876 1.00 0.00 C ATOM 71 OD1 ASP A 5 6.495 -13.594 10.910 1.00 0.00 O ATOM 72 OD2 ASP A 5 8.035 -12.623 12.132 1.00 0.00 O ATOM 0 H ASP A 5 4.129 -13.009 11.057 1.00 0.00 H new ATOM 0 HA ASP A 5 4.192 -10.824 12.801 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.228 -11.789 13.622 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.159 -13.109 13.189 1.00 0.00 H new ATOM 77 N TYR A 6 6.173 -10.569 10.172 1.00 0.00 N ATOM 78 CA TYR A 6 6.939 -9.622 9.370 1.00 0.00 C ATOM 79 C TYR A 6 6.069 -8.423 9.002 1.00 0.00 C ATOM 80 O TYR A 6 6.460 -7.272 9.212 1.00 0.00 O ATOM 81 CB TYR A 6 7.461 -10.312 8.098 1.00 0.00 C ATOM 82 CG TYR A 6 8.124 -9.373 7.100 1.00 0.00 C ATOM 83 CD1 TYR A 6 9.448 -8.971 7.261 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.426 -8.896 5.991 1.00 0.00 C ATOM 85 CE1 TYR A 6 10.051 -8.121 6.352 1.00 0.00 C ATOM 86 CE2 TYR A 6 8.025 -8.048 5.079 1.00 0.00 C ATOM 87 CZ TYR A 6 9.336 -7.666 5.263 1.00 0.00 C ATOM 88 OH TYR A 6 9.934 -6.825 4.352 1.00 0.00 O ATOM 0 H TYR A 6 6.083 -11.496 9.756 1.00 0.00 H new ATOM 0 HA TYR A 6 7.790 -9.270 9.953 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.177 -11.082 8.385 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.630 -10.817 7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.013 -9.329 8.109 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.399 -9.195 5.842 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.077 -7.815 6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.469 -7.687 4.227 1.00 0.00 H new ATOM 0 HH TYR A 6 9.789 -7.168 3.446 1.00 0.00 H new ATOM 98 N ASN A 7 4.869 -8.711 8.503 1.00 0.00 N ATOM 99 CA ASN A 7 3.938 -7.663 8.089 1.00 0.00 C ATOM 100 C ASN A 7 3.595 -6.772 9.277 1.00 0.00 C ATOM 101 O ASN A 7 4.033 -5.623 9.350 1.00 0.00 O ATOM 102 CB ASN A 7 2.652 -8.263 7.484 1.00 0.00 C ATOM 103 CG ASN A 7 2.815 -8.689 6.030 1.00 0.00 C ATOM 104 OD1 ASN A 7 2.525 -7.928 5.110 1.00 0.00 O ATOM 105 ND2 ASN A 7 3.270 -9.911 5.812 1.00 0.00 N ATOM 0 H ASN A 7 4.518 -9.660 8.375 1.00 0.00 H new ATOM 0 HA ASN A 7 4.423 -7.064 7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.347 -9.126 8.077 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.849 -7.529 7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.390 -10.248 4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.501 -10.517 6.599 1.00 0.00 H new ATOM 112 N ASP A 8 2.853 -7.328 10.226 1.00 0.00 N ATOM 113 CA ASP A 8 2.428 -6.591 11.411 1.00 0.00 C ATOM 114 C ASP A 8 3.605 -5.877 12.067 1.00 0.00 C ATOM 115 O ASP A 8 3.682 -4.648 12.049 1.00 0.00 O ATOM 116 CB ASP A 8 1.759 -7.534 12.420 1.00 0.00 C ATOM 117 CG ASP A 8 0.385 -8.000 11.966 1.00 0.00 C ATOM 118 OD1 ASP A 8 0.307 -8.819 11.026 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.625 -7.565 12.564 1.00 0.00 O ATOM 0 H ASP A 8 2.530 -8.295 10.198 1.00 0.00 H new ATOM 0 HA ASP A 8 1.705 -5.840 11.093 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.398 -8.402 12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.667 -7.026 13.380 1.00 0.00 H new ATOM 124 N ALA A 9 4.544 -6.653 12.599 1.00 0.00 N ATOM 125 CA ALA A 9 5.629 -6.100 13.399 1.00 0.00 C ATOM 126 C ALA A 9 6.497 -5.134 12.593 1.00 0.00 C ATOM 127 O ALA A 9 6.580 -3.948 12.923 1.00 0.00 O ATOM 128 CB ALA A 9 6.483 -7.214 13.995 1.00 0.00 C ATOM 0 H ALA A 9 4.575 -7.667 12.490 1.00 0.00 H new ATOM 0 HA ALA A 9 5.175 -5.533 14.212 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.287 -6.778 14.588 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.864 -7.846 14.631 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.909 -7.815 13.192 1.00 0.00 H new ATOM 134 N ASP A 10 7.111 -5.626 11.520 1.00 0.00 N ATOM 135 CA ASP A 10 8.141 -4.855 10.824 1.00 0.00 C ATOM 136 C ASP A 10 7.527 -3.676 10.088 1.00 0.00 C ATOM 137 O ASP A 10 8.022 -2.546 10.165 1.00 0.00 O ATOM 138 CB ASP A 10 8.916 -5.737 9.833 1.00 0.00 C ATOM 139 CG ASP A 10 10.298 -5.179 9.516 1.00 0.00 C ATOM 140 OD1 ASP A 10 11.023 -4.800 10.466 1.00 0.00 O ATOM 141 OD2 ASP A 10 10.687 -5.156 8.329 1.00 0.00 O ATOM 0 H ASP A 10 6.918 -6.543 11.117 1.00 0.00 H new ATOM 0 HA ASP A 10 8.836 -4.481 11.576 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.018 -6.740 10.247 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.344 -5.830 8.910 1.00 0.00 H new ATOM 146 N MET A 11 6.421 -3.934 9.405 1.00 0.00 N ATOM 147 CA MET A 11 5.829 -2.930 8.540 1.00 0.00 C ATOM 148 C MET A 11 5.129 -1.852 9.363 1.00 0.00 C ATOM 149 O MET A 11 5.155 -0.684 8.993 1.00 0.00 O ATOM 150 CB MET A 11 4.880 -3.583 7.532 1.00 0.00 C ATOM 151 CG MET A 11 5.530 -4.743 6.781 1.00 0.00 C ATOM 152 SD MET A 11 4.430 -5.502 5.575 1.00 0.00 S ATOM 153 CE MET A 11 4.274 -4.162 4.410 1.00 0.00 C ATOM 0 H MET A 11 5.921 -4.822 9.434 1.00 0.00 H new ATOM 0 HA MET A 11 6.623 -2.442 7.975 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.994 -3.944 8.054 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.545 -2.833 6.815 1.00 0.00 H new ATOM 0 HG2 MET A 11 6.425 -4.384 6.273 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.851 -5.499 7.498 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.235 -4.563 3.397 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.359 -3.606 4.616 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.132 -3.497 4.504 1.00 0.00 H new ATOM 163 N ALA A 12 4.527 -2.228 10.496 1.00 0.00 N ATOM 164 CA ALA A 12 3.962 -1.227 11.403 1.00 0.00 C ATOM 165 C ALA A 12 5.086 -0.415 12.045 1.00 0.00 C ATOM 166 O ALA A 12 4.941 0.783 12.295 1.00 0.00 O ATOM 167 CB ALA A 12 3.089 -1.875 12.471 1.00 0.00 C ATOM 0 H ALA A 12 4.420 -3.195 10.801 1.00 0.00 H new ATOM 0 HA ALA A 12 3.327 -0.558 10.822 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.685 -1.104 13.128 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.269 -2.412 11.994 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.688 -2.573 13.056 1.00 0.00 H new ATOM 173 N ARG A 13 6.211 -1.082 12.300 1.00 0.00 N ATOM 174 CA ARG A 13 7.391 -0.421 12.852 1.00 0.00 C ATOM 175 C ARG A 13 7.940 0.646 11.902 1.00 0.00 C ATOM 176 O ARG A 13 8.374 1.706 12.351 1.00 0.00 O ATOM 177 CB ARG A 13 8.483 -1.446 13.191 1.00 0.00 C ATOM 178 CG ARG A 13 8.286 -2.124 14.544 1.00 0.00 C ATOM 179 CD ARG A 13 9.291 -3.250 14.767 1.00 0.00 C ATOM 180 NE ARG A 13 9.370 -3.645 16.176 1.00 0.00 N ATOM 181 CZ ARG A 13 8.447 -4.362 16.819 1.00 0.00 C ATOM 182 NH1 ARG A 13 7.324 -4.724 16.207 1.00 0.00 N ATOM 183 NH2 ARG A 13 8.643 -4.689 18.089 1.00 0.00 N ATOM 0 H ARG A 13 6.329 -2.081 12.133 1.00 0.00 H new ATOM 0 HA ARG A 13 7.082 0.078 13.770 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.508 -2.208 12.412 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.453 -0.948 13.181 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.387 -1.385 15.339 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.274 -2.523 14.606 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.008 -4.113 14.164 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.275 -2.930 14.424 1.00 0.00 H new ATOM 0 HE ARG A 13 10.191 -3.350 16.704 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.162 -4.454 15.237 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.624 -5.272 16.707 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.494 -4.392 18.566 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.943 -5.237 18.588 1.00 0.00 H new ATOM 197 N LEU A 14 7.934 0.371 10.596 1.00 0.00 N ATOM 198 CA LEU A 14 8.434 1.352 9.627 1.00 0.00 C ATOM 199 C LEU A 14 7.343 2.373 9.262 1.00 0.00 C ATOM 200 O LEU A 14 7.640 3.541 9.006 1.00 0.00 O ATOM 201 CB LEU A 14 9.029 0.653 8.383 1.00 0.00 C ATOM 202 CG LEU A 14 8.035 0.011 7.390 1.00 0.00 C ATOM 203 CD1 LEU A 14 7.646 0.999 6.291 1.00 0.00 C ATOM 204 CD2 LEU A 14 8.622 -1.263 6.782 1.00 0.00 C ATOM 0 H LEU A 14 7.597 -0.502 10.190 1.00 0.00 H new ATOM 0 HA LEU A 14 9.246 1.910 10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.626 1.384 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.712 -0.124 8.727 1.00 0.00 H new ATOM 0 HG LEU A 14 7.134 -0.256 7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.946 0.523 5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.177 1.875 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.538 1.305 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.905 -1.698 6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.543 -1.022 6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.838 -1.979 7.575 1.00 0.00 H new ATOM 216 N LEU A 15 6.074 1.941 9.265 1.00 0.00 N ATOM 217 CA LEU A 15 4.947 2.863 9.051 1.00 0.00 C ATOM 218 C LEU A 15 4.795 3.801 10.249 1.00 0.00 C ATOM 219 O LEU A 15 4.224 4.888 10.131 1.00 0.00 O ATOM 220 CB LEU A 15 3.626 2.102 8.801 1.00 0.00 C ATOM 221 CG LEU A 15 3.257 1.860 7.322 1.00 0.00 C ATOM 222 CD1 LEU A 15 3.157 3.182 6.563 1.00 0.00 C ATOM 223 CD2 LEU A 15 4.254 0.922 6.648 1.00 0.00 C ATOM 0 H LEU A 15 5.803 0.969 9.412 1.00 0.00 H new ATOM 0 HA LEU A 15 5.166 3.451 8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.685 1.136 9.303 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.815 2.657 9.272 1.00 0.00 H new ATOM 0 HG LEU A 15 2.279 1.378 7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.896 2.986 5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.388 3.806 7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.116 3.699 6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.966 0.772 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.251 1.360 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.258 -0.037 7.165 1.00 0.00 H new ATOM 235 N GLU A 16 5.317 3.362 11.393 1.00 0.00 N ATOM 236 CA GLU A 16 5.350 4.171 12.614 1.00 0.00 C ATOM 237 C GLU A 16 5.897 5.566 12.311 1.00 0.00 C ATOM 238 O GLU A 16 5.409 6.575 12.830 1.00 0.00 O ATOM 239 CB GLU A 16 6.246 3.483 13.653 1.00 0.00 C ATOM 240 CG GLU A 16 6.333 4.203 14.993 1.00 0.00 C ATOM 241 CD GLU A 16 5.092 4.020 15.847 1.00 0.00 C ATOM 242 OE1 GLU A 16 5.044 3.048 16.634 1.00 0.00 O ATOM 243 OE2 GLU A 16 4.167 4.846 15.746 1.00 0.00 O ATOM 0 H GLU A 16 5.730 2.435 11.501 1.00 0.00 H new ATOM 0 HA GLU A 16 4.337 4.268 13.005 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.874 2.473 13.822 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.251 3.388 13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.201 3.836 15.540 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.493 5.267 14.818 1.00 0.00 H new ATOM 250 N GLN A 17 6.910 5.604 11.447 1.00 0.00 N ATOM 251 CA GLN A 17 7.546 6.851 11.050 1.00 0.00 C ATOM 252 C GLN A 17 6.529 7.779 10.390 1.00 0.00 C ATOM 253 O GLN A 17 6.443 8.958 10.729 1.00 0.00 O ATOM 254 CB GLN A 17 8.713 6.565 10.094 1.00 0.00 C ATOM 255 CG GLN A 17 9.469 7.812 9.651 1.00 0.00 C ATOM 256 CD GLN A 17 10.650 7.502 8.745 1.00 0.00 C ATOM 257 OE1 GLN A 17 11.273 6.446 8.853 1.00 0.00 O ATOM 258 NE2 GLN A 17 10.972 8.425 7.855 1.00 0.00 N ATOM 0 H GLN A 17 7.308 4.775 11.007 1.00 0.00 H new ATOM 0 HA GLN A 17 7.936 7.346 11.939 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.410 5.883 10.581 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.330 6.052 9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.783 8.479 9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.825 8.346 10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.431 9.288 7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.762 8.274 7.227 1.00 0.00 H new ATOM 267 N TRP A 18 5.740 7.220 9.473 1.00 0.00 N ATOM 268 CA TRP A 18 4.735 7.986 8.734 1.00 0.00 C ATOM 269 C TRP A 18 3.701 8.594 9.678 1.00 0.00 C ATOM 270 O TRP A 18 3.298 9.757 9.515 1.00 0.00 O ATOM 271 CB TRP A 18 4.037 7.088 7.702 1.00 0.00 C ATOM 272 CG TRP A 18 4.901 6.753 6.524 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.923 5.843 6.474 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.816 7.333 5.220 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.474 5.829 5.216 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.811 6.734 4.431 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.990 8.305 4.643 1.00 0.00 C ATOM 278 CZ2 TRP A 18 6.006 7.073 3.097 1.00 0.00 C ATOM 279 CZ3 TRP A 18 4.184 8.640 3.318 1.00 0.00 C ATOM 280 CH2 TRP A 18 5.186 8.025 2.559 1.00 0.00 C ATOM 0 H TRP A 18 5.778 6.232 9.222 1.00 0.00 H new ATOM 0 HA TRP A 18 5.245 8.799 8.217 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.724 6.164 8.188 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.133 7.586 7.351 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.247 5.228 7.300 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.251 5.240 4.915 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.215 8.784 5.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.778 6.601 2.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.553 9.388 2.860 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.314 8.309 1.525 1.00 0.00 H new ATOM 291 N GLU A 19 3.273 7.807 10.663 1.00 0.00 N ATOM 292 CA GLU A 19 2.337 8.291 11.667 1.00 0.00 C ATOM 293 C GLU A 19 2.954 9.470 12.405 1.00 0.00 C ATOM 294 O GLU A 19 2.330 10.521 12.558 1.00 0.00 O ATOM 295 CB GLU A 19 1.957 7.173 12.651 1.00 0.00 C ATOM 296 CG GLU A 19 1.168 6.034 12.009 1.00 0.00 C ATOM 297 CD GLU A 19 0.719 4.984 13.018 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.292 5.215 13.720 1.00 0.00 O ATOM 299 OE2 GLU A 19 1.371 3.925 13.116 1.00 0.00 O ATOM 0 H GLU A 19 3.560 6.836 10.784 1.00 0.00 H new ATOM 0 HA GLU A 19 1.423 8.616 11.170 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.866 6.768 13.096 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.367 7.600 13.462 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.293 6.444 11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.783 5.558 11.245 1.00 0.00 H new ATOM 306 N LYS A 20 4.205 9.304 12.823 1.00 0.00 N ATOM 307 CA LYS A 20 4.915 10.373 13.505 1.00 0.00 C ATOM 308 C LYS A 20 5.085 11.577 12.581 1.00 0.00 C ATOM 309 O LYS A 20 5.040 12.714 13.034 1.00 0.00 O ATOM 310 CB LYS A 20 6.283 9.900 14.015 1.00 0.00 C ATOM 311 CG LYS A 20 7.031 10.974 14.799 1.00 0.00 C ATOM 312 CD LYS A 20 8.357 10.472 15.360 1.00 0.00 C ATOM 313 CE LYS A 20 9.033 11.535 16.218 1.00 0.00 C ATOM 314 NZ LYS A 20 10.249 11.024 16.902 1.00 0.00 N ATOM 0 H LYS A 20 4.742 8.445 12.701 1.00 0.00 H new ATOM 0 HA LYS A 20 4.318 10.670 14.367 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.145 9.025 14.650 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.892 9.586 13.167 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.216 11.830 14.150 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.403 11.324 15.618 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.186 9.575 15.956 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.017 10.189 14.540 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.302 12.386 15.592 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.326 11.899 16.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.672 11.784 17.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.991 10.229 17.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.937 10.701 16.192 1.00 0.00 H new ATOM 328 N ASP A 21 5.262 11.322 11.283 1.00 0.00 N ATOM 329 CA ASP A 21 5.450 12.396 10.305 1.00 0.00 C ATOM 330 C ASP A 21 4.249 13.329 10.278 1.00 0.00 C ATOM 331 O ASP A 21 4.397 14.546 10.440 1.00 0.00 O ATOM 332 CB ASP A 21 5.720 11.848 8.889 1.00 0.00 C ATOM 333 CG ASP A 21 7.207 11.652 8.619 1.00 0.00 C ATOM 334 OD1 ASP A 21 7.914 12.667 8.423 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.682 10.499 8.625 1.00 0.00 O ATOM 0 H ASP A 21 5.279 10.383 10.885 1.00 0.00 H new ATOM 0 HA ASP A 21 6.328 12.958 10.622 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.202 10.897 8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.306 12.535 8.151 1.00 0.00 H new ATOM 340 N ASP A 22 3.056 12.768 10.080 1.00 0.00 N ATOM 341 CA ASP A 22 1.859 13.605 10.003 1.00 0.00 C ATOM 342 C ASP A 22 1.528 14.178 11.384 1.00 0.00 C ATOM 343 O ASP A 22 0.942 15.254 11.484 1.00 0.00 O ATOM 344 CB ASP A 22 0.660 12.854 9.389 1.00 0.00 C ATOM 345 CG ASP A 22 -0.069 11.935 10.355 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.379 10.786 10.545 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.119 12.343 10.888 1.00 0.00 O ATOM 0 H ASP A 22 2.894 11.767 9.973 1.00 0.00 H new ATOM 0 HA ASP A 22 2.071 14.435 9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.048 13.584 8.997 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.011 12.265 8.542 1.00 0.00 H new ATOM 352 N ASP A 23 1.938 13.469 12.445 1.00 0.00 N ATOM 353 CA ASP A 23 1.833 13.996 13.814 1.00 0.00 C ATOM 354 C ASP A 23 2.683 15.258 13.968 1.00 0.00 C ATOM 355 O ASP A 23 2.221 16.276 14.482 1.00 0.00 O ATOM 356 CB ASP A 23 2.281 12.957 14.859 1.00 0.00 C ATOM 357 CG ASP A 23 1.199 11.957 15.233 1.00 0.00 C ATOM 358 OD1 ASP A 23 0.096 12.389 15.624 1.00 0.00 O ATOM 359 OD2 ASP A 23 1.455 10.733 15.183 1.00 0.00 O ATOM 0 H ASP A 23 2.343 12.535 12.383 1.00 0.00 H new ATOM 0 HA ASP A 23 0.783 14.233 13.987 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.145 12.416 14.473 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.608 13.478 15.759 1.00 0.00 H new ATOM 364 N ILE A 24 3.932 15.181 13.515 1.00 0.00 N ATOM 365 CA ILE A 24 4.849 16.316 13.590 1.00 0.00 C ATOM 366 C ILE A 24 4.274 17.494 12.816 1.00 0.00 C ATOM 367 O ILE A 24 4.351 18.644 13.257 1.00 0.00 O ATOM 368 CB ILE A 24 6.253 15.964 13.024 1.00 0.00 C ATOM 369 CG1 ILE A 24 6.922 14.876 13.881 1.00 0.00 C ATOM 370 CG2 ILE A 24 7.140 17.208 12.951 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.264 14.409 13.349 1.00 0.00 C ATOM 0 H ILE A 24 4.333 14.344 13.092 1.00 0.00 H new ATOM 0 HA ILE A 24 4.965 16.577 14.642 1.00 0.00 H new ATOM 0 HB ILE A 24 6.124 15.579 12.012 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.057 15.257 14.893 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.252 14.019 13.950 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.117 16.935 12.552 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.676 17.948 12.300 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.260 17.628 13.950 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.670 13.642 14.009 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.135 13.996 12.349 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.952 15.253 13.307 1.00 0.00 H new ATOM 383 N GLU A 25 3.685 17.191 11.668 1.00 0.00 N ATOM 384 CA GLU A 25 3.060 18.203 10.827 1.00 0.00 C ATOM 385 C GLU A 25 1.820 18.796 11.496 1.00 0.00 C ATOM 386 O GLU A 25 1.486 19.962 11.271 1.00 0.00 O ATOM 387 CB GLU A 25 2.704 17.603 9.473 1.00 0.00 C ATOM 388 CG GLU A 25 3.919 17.254 8.630 1.00 0.00 C ATOM 389 CD GLU A 25 4.758 18.478 8.284 1.00 0.00 C ATOM 390 OE1 GLU A 25 4.238 19.388 7.603 1.00 0.00 O ATOM 391 OE2 GLU A 25 5.937 18.548 8.699 1.00 0.00 O ATOM 0 H GLU A 25 3.627 16.244 11.295 1.00 0.00 H new ATOM 0 HA GLU A 25 3.773 19.014 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.108 16.704 9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.080 18.308 8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.536 16.534 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.592 16.769 7.710 1.00 0.00 H new ATOM 398 N GLU A 26 1.137 17.988 12.309 1.00 0.00 N ATOM 399 CA GLU A 26 0.038 18.485 13.146 1.00 0.00 C ATOM 400 C GLU A 26 0.546 19.561 14.114 1.00 0.00 C ATOM 401 O GLU A 26 -0.241 20.317 14.693 1.00 0.00 O ATOM 402 CB GLU A 26 -0.625 17.338 13.929 1.00 0.00 C ATOM 403 CG GLU A 26 -1.508 16.426 13.079 1.00 0.00 C ATOM 404 CD GLU A 26 -2.677 17.162 12.438 1.00 0.00 C ATOM 405 OE1 GLU A 26 -3.305 18.006 13.119 1.00 0.00 O ATOM 406 OE2 GLU A 26 -2.973 16.908 11.251 1.00 0.00 O ATOM 0 H GLU A 26 1.323 16.990 12.407 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.711 18.926 12.488 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.153 16.736 14.398 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.228 17.762 14.732 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.902 15.967 12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.892 15.617 13.701 1.00 0.00 H new ATOM 413 N GLY A 27 1.869 19.625 14.262 1.00 0.00 N ATOM 414 CA GLY A 27 2.505 20.667 15.051 1.00 0.00 C ATOM 415 C GLY A 27 2.751 20.266 16.492 1.00 0.00 C ATOM 416 O GLY A 27 2.681 21.104 17.398 1.00 0.00 O ATOM 0 H GLY A 27 2.520 18.962 13.841 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.455 20.933 14.589 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.880 21.560 15.032 1.00 0.00 H new ATOM 420 N ASP A 28 3.058 18.988 16.707 1.00 0.00 N ATOM 421 CA ASP A 28 3.451 18.496 18.026 1.00 0.00 C ATOM 422 C ASP A 28 4.231 17.189 17.892 1.00 0.00 C ATOM 423 O ASP A 28 4.032 16.431 16.941 1.00 0.00 O ATOM 424 CB ASP A 28 2.225 18.296 18.933 1.00 0.00 C ATOM 425 CG ASP A 28 1.368 17.106 18.529 1.00 0.00 C ATOM 426 OD1 ASP A 28 0.646 17.199 17.514 1.00 0.00 O ATOM 427 OD2 ASP A 28 1.393 16.081 19.247 1.00 0.00 O ATOM 0 H ASP A 28 3.042 18.272 15.981 1.00 0.00 H new ATOM 0 HA ASP A 28 4.093 19.246 18.489 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.560 18.162 19.961 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.615 19.199 18.912 1.00 0.00 H new ATOM 432 N LEU A 29 5.146 16.950 18.827 1.00 0.00 N ATOM 433 CA LEU A 29 5.967 15.738 18.825 1.00 0.00 C ATOM 434 C LEU A 29 5.328 14.657 19.705 1.00 0.00 C ATOM 435 O LEU A 29 5.267 14.809 20.927 1.00 0.00 O ATOM 436 CB LEU A 29 7.396 16.044 19.323 1.00 0.00 C ATOM 437 CG LEU A 29 8.258 16.948 18.414 1.00 0.00 C ATOM 438 CD1 LEU A 29 8.355 16.369 17.003 1.00 0.00 C ATOM 439 CD2 LEU A 29 7.721 18.379 18.381 1.00 0.00 C ATOM 0 H LEU A 29 5.340 17.584 19.602 1.00 0.00 H new ATOM 0 HA LEU A 29 6.026 15.371 17.800 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.323 16.514 20.304 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.920 15.098 19.461 1.00 0.00 H new ATOM 0 HG LEU A 29 9.262 16.981 18.837 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.967 17.024 16.382 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.811 15.380 17.046 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.357 16.290 16.573 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.350 18.989 17.733 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.701 18.376 17.998 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.729 18.794 19.389 1.00 0.00 H new ATOM 451 N LEU A 62 -5.029 8.144 4.139 1.00 0.00 N ATOM 452 CA LEU A 62 -5.116 6.682 3.990 1.00 0.00 C ATOM 453 C LEU A 62 -3.792 6.056 3.553 1.00 0.00 C ATOM 454 O LEU A 62 -3.041 6.632 2.767 1.00 0.00 O ATOM 455 CB LEU A 62 -6.216 6.293 2.975 1.00 0.00 C ATOM 456 CG LEU A 62 -7.668 6.359 3.488 1.00 0.00 C ATOM 457 CD1 LEU A 62 -8.654 6.050 2.365 1.00 0.00 C ATOM 458 CD2 LEU A 62 -7.869 5.399 4.660 1.00 0.00 C ATOM 0 HA LEU A 62 -5.367 6.293 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.129 6.947 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.020 5.278 2.630 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.859 7.373 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.672 6.102 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.532 6.778 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.463 5.049 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.900 5.460 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.655 4.380 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.195 5.671 5.473 1.00 0.00 H new ATOM 470 N MET A 63 -3.520 4.865 4.085 1.00 0.00 N ATOM 471 CA MET A 63 -2.418 4.020 3.626 1.00 0.00 C ATOM 472 C MET A 63 -2.966 2.610 3.438 1.00 0.00 C ATOM 473 O MET A 63 -3.619 2.073 4.334 1.00 0.00 O ATOM 474 CB MET A 63 -1.257 4.006 4.636 1.00 0.00 C ATOM 475 CG MET A 63 -0.891 5.387 5.174 1.00 0.00 C ATOM 476 SD MET A 63 0.432 5.347 6.402 1.00 0.00 S ATOM 477 CE MET A 63 -0.303 4.330 7.685 1.00 0.00 C ATOM 0 H MET A 63 -4.059 4.458 4.849 1.00 0.00 H new ATOM 0 HA MET A 63 -2.022 4.414 2.690 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.523 3.360 5.472 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.380 3.567 4.161 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.587 6.024 4.343 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.776 5.843 5.618 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.217 4.501 8.627 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.355 4.592 7.799 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.219 3.279 7.409 1.00 0.00 H new ATOM 487 N MET A 64 -2.727 2.021 2.277 1.00 0.00 N ATOM 488 CA MET A 64 -3.353 0.750 1.921 1.00 0.00 C ATOM 489 C MET A 64 -2.348 -0.392 1.887 1.00 0.00 C ATOM 490 O MET A 64 -1.354 -0.339 1.162 1.00 0.00 O ATOM 491 CB MET A 64 -4.047 0.869 0.559 1.00 0.00 C ATOM 492 CG MET A 64 -5.184 1.880 0.538 1.00 0.00 C ATOM 493 SD MET A 64 -6.070 1.900 -1.031 1.00 0.00 S ATOM 494 CE MET A 64 -7.359 3.089 -0.672 1.00 0.00 C ATOM 0 H MET A 64 -2.105 2.400 1.563 1.00 0.00 H new ATOM 0 HA MET A 64 -4.089 0.522 2.692 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.309 1.150 -0.192 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.436 -0.108 0.273 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.883 1.651 1.342 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.784 2.874 0.737 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.326 2.586 -0.663 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.176 3.541 0.303 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.361 3.866 -1.437 1.00 0.00 H new ATOM 504 N PHE A 65 -2.615 -1.418 2.689 1.00 0.00 N ATOM 505 CA PHE A 65 -1.892 -2.682 2.613 1.00 0.00 C ATOM 506 C PHE A 65 -2.695 -3.642 1.743 1.00 0.00 C ATOM 507 O PHE A 65 -3.752 -4.134 2.157 1.00 0.00 O ATOM 508 CB PHE A 65 -1.679 -3.281 4.014 1.00 0.00 C ATOM 509 CG PHE A 65 -0.688 -2.526 4.864 1.00 0.00 C ATOM 510 CD1 PHE A 65 -0.995 -1.271 5.370 1.00 0.00 C ATOM 511 CD2 PHE A 65 0.553 -3.076 5.163 1.00 0.00 C ATOM 512 CE1 PHE A 65 -0.089 -0.585 6.156 1.00 0.00 C ATOM 513 CE2 PHE A 65 1.461 -2.392 5.948 1.00 0.00 C ATOM 514 CZ PHE A 65 1.140 -1.145 6.445 1.00 0.00 C ATOM 0 H PHE A 65 -3.338 -1.396 3.409 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.908 -2.512 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.637 -3.312 4.533 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.340 -4.312 3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.953 -0.825 5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.811 -4.051 4.777 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.342 0.390 6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.421 -2.833 6.173 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.848 -0.608 7.059 1.00 0.00 H new ATOM 524 N VAL A 66 -2.220 -3.885 0.531 1.00 0.00 N ATOM 525 CA VAL A 66 -2.956 -4.682 -0.438 1.00 0.00 C ATOM 526 C VAL A 66 -2.424 -6.113 -0.478 1.00 0.00 C ATOM 527 O VAL A 66 -1.288 -6.350 -0.893 1.00 0.00 O ATOM 528 CB VAL A 66 -2.864 -4.058 -1.852 1.00 0.00 C ATOM 529 CG1 VAL A 66 -3.777 -4.789 -2.833 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.191 -2.565 -1.801 1.00 0.00 C ATOM 0 H VAL A 66 -1.322 -3.539 0.194 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.000 -4.698 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.840 -4.169 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.693 -4.331 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.482 -5.836 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.809 -4.722 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.121 -2.143 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.202 -2.427 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.483 -2.060 -1.145 1.00 0.00 H new ATOM 540 N THR A 67 -3.250 -7.057 -0.036 1.00 0.00 N ATOM 541 CA THR A 67 -2.897 -8.470 -0.064 1.00 0.00 C ATOM 542 C THR A 67 -3.244 -9.049 -1.432 1.00 0.00 C ATOM 543 O THR A 67 -4.422 -9.182 -1.776 1.00 0.00 O ATOM 544 CB THR A 67 -3.633 -9.250 1.051 1.00 0.00 C ATOM 545 OG1 THR A 67 -3.432 -8.592 2.316 1.00 0.00 O ATOM 546 CG2 THR A 67 -3.130 -10.689 1.140 1.00 0.00 C ATOM 0 H THR A 67 -4.175 -6.865 0.348 1.00 0.00 H new ATOM 0 HA THR A 67 -1.826 -8.568 0.114 1.00 0.00 H new ATOM 0 HB THR A 67 -4.695 -9.271 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.901 -9.087 3.020 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.665 -11.213 1.932 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.303 -11.194 0.190 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.063 -10.688 1.362 1.00 0.00 H new ATOM 554 N VAL A 68 -2.219 -9.369 -2.217 1.00 0.00 N ATOM 555 CA VAL A 68 -2.418 -9.760 -3.607 1.00 0.00 C ATOM 556 C VAL A 68 -2.499 -11.276 -3.759 1.00 0.00 C ATOM 557 O VAL A 68 -3.529 -11.817 -4.161 1.00 0.00 O ATOM 558 CB VAL A 68 -1.264 -9.229 -4.499 1.00 0.00 C ATOM 559 CG1 VAL A 68 -1.518 -9.545 -5.973 1.00 0.00 C ATOM 560 CG2 VAL A 68 -1.061 -7.729 -4.290 1.00 0.00 C ATOM 0 H VAL A 68 -1.245 -9.365 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.364 -9.322 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.348 -9.739 -4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.694 -9.162 -6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.593 -10.624 -6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.449 -9.075 -6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.247 -7.380 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.977 -7.198 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.814 -7.537 -3.246 1.00 0.00 H new ATOM 570 N SER A 69 -1.412 -11.954 -3.422 1.00 0.00 N ATOM 571 CA SER A 69 -1.302 -13.387 -3.644 1.00 0.00 C ATOM 572 C SER A 69 -1.722 -14.193 -2.421 1.00 0.00 C ATOM 573 O SER A 69 -2.497 -15.146 -2.523 1.00 0.00 O ATOM 574 CB SER A 69 0.140 -13.726 -4.024 1.00 0.00 C ATOM 575 OG SER A 69 1.047 -13.243 -3.043 1.00 0.00 O ATOM 0 H SER A 69 -0.590 -11.531 -2.991 1.00 0.00 H new ATOM 0 HA SER A 69 -1.980 -13.656 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.250 -14.806 -4.127 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.378 -13.288 -4.993 1.00 0.00 H new ATOM 0 HG SER A 69 1.798 -13.867 -2.956 1.00 0.00 H new ATOM 581 N GLY A 70 -1.198 -13.801 -1.266 1.00 0.00 N ATOM 582 CA GLY A 70 -1.262 -14.654 -0.094 1.00 0.00 C ATOM 583 C GLY A 70 -0.215 -15.750 -0.194 1.00 0.00 C ATOM 584 O GLY A 70 -0.188 -16.691 0.600 1.00 0.00 O ATOM 0 H GLY A 70 -0.729 -12.907 -1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.097 -14.062 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.255 -15.095 -0.008 1.00 0.00 H new ATOM 588 N ASN A 71 0.652 -15.602 -1.196 1.00 0.00 N ATOM 589 CA ASN A 71 1.707 -16.563 -1.500 1.00 0.00 C ATOM 590 C ASN A 71 3.056 -15.838 -1.546 1.00 0.00 C ATOM 591 O ASN A 71 3.193 -14.832 -2.246 1.00 0.00 O ATOM 592 CB ASN A 71 1.411 -17.253 -2.843 1.00 0.00 C ATOM 593 CG ASN A 71 2.512 -18.203 -3.283 1.00 0.00 C ATOM 594 OD1 ASN A 71 3.441 -17.703 -4.085 1.00 0.00 O flip ATOM 595 ND2 ASN A 71 2.520 -19.378 -2.922 1.00 0.00 N flip ATOM 0 H ASN A 71 0.639 -14.800 -1.826 1.00 0.00 H new ATOM 0 HA ASN A 71 1.746 -17.327 -0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.475 -17.805 -2.762 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.267 -16.493 -3.611 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.787 -19.727 -2.304 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.259 -20.004 -3.241 1.00 0.00 H new ATOM 602 N PRO A 72 4.070 -16.350 -0.821 1.00 0.00 N ATOM 603 CA PRO A 72 5.342 -15.638 -0.597 1.00 0.00 C ATOM 604 C PRO A 72 6.187 -15.415 -1.860 1.00 0.00 C ATOM 605 O PRO A 72 7.085 -14.573 -1.853 1.00 0.00 O ATOM 606 CB PRO A 72 6.084 -16.542 0.404 1.00 0.00 C ATOM 607 CG PRO A 72 5.506 -17.898 0.187 1.00 0.00 C ATOM 608 CD PRO A 72 4.057 -17.669 -0.153 1.00 0.00 C ATOM 0 HA PRO A 72 5.156 -14.624 -0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.159 -16.536 0.222 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.932 -16.206 1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.021 -18.419 -0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.607 -18.515 1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.669 -18.449 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.430 -17.662 0.739 1.00 0.00 H new ATOM 616 N THR A 73 5.930 -16.166 -2.931 1.00 0.00 N ATOM 617 CA THR A 73 6.756 -16.066 -4.130 1.00 0.00 C ATOM 618 C THR A 73 6.644 -14.669 -4.759 1.00 0.00 C ATOM 619 O THR A 73 5.546 -14.215 -5.098 1.00 0.00 O ATOM 620 CB THR A 73 6.370 -17.141 -5.166 1.00 0.00 C ATOM 621 OG1 THR A 73 6.076 -18.376 -4.495 1.00 0.00 O ATOM 622 CG2 THR A 73 7.503 -17.370 -6.159 1.00 0.00 C ATOM 0 H THR A 73 5.167 -16.841 -2.992 1.00 0.00 H new ATOM 0 HA THR A 73 7.790 -16.233 -3.828 1.00 0.00 H new ATOM 0 HB THR A 73 5.491 -16.792 -5.709 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.130 -18.393 -4.241 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.207 -18.132 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.720 -16.440 -6.684 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.393 -17.702 -5.625 1.00 0.00 H new ATOM 630 N GLU A 74 7.797 -14.016 -4.920 1.00 0.00 N ATOM 631 CA GLU A 74 7.891 -12.630 -5.406 1.00 0.00 C ATOM 632 C GLU A 74 7.099 -12.401 -6.698 1.00 0.00 C ATOM 633 O GLU A 74 6.625 -11.294 -6.950 1.00 0.00 O ATOM 634 CB GLU A 74 9.366 -12.278 -5.645 1.00 0.00 C ATOM 635 CG GLU A 74 10.248 -12.429 -4.408 1.00 0.00 C ATOM 636 CD GLU A 74 11.732 -12.359 -4.733 1.00 0.00 C ATOM 637 OE1 GLU A 74 12.261 -11.241 -4.903 1.00 0.00 O ATOM 638 OE2 GLU A 74 12.377 -13.430 -4.835 1.00 0.00 O ATOM 0 H GLU A 74 8.704 -14.436 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 74 7.456 -11.986 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.757 -12.916 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.431 -11.250 -6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.000 -11.646 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.030 -13.382 -3.926 1.00 0.00 H new ATOM 645 N LYS A 75 6.970 -13.462 -7.495 1.00 0.00 N ATOM 646 CA LYS A 75 6.317 -13.412 -8.812 1.00 0.00 C ATOM 647 C LYS A 75 5.093 -12.493 -8.830 1.00 0.00 C ATOM 648 O LYS A 75 5.055 -11.501 -9.563 1.00 0.00 O ATOM 649 CB LYS A 75 5.876 -14.825 -9.213 1.00 0.00 C ATOM 650 CG LYS A 75 7.018 -15.832 -9.301 1.00 0.00 C ATOM 651 CD LYS A 75 6.499 -17.266 -9.395 1.00 0.00 C ATOM 652 CE LYS A 75 5.600 -17.473 -10.608 1.00 0.00 C ATOM 653 NZ LYS A 75 6.305 -17.181 -11.886 1.00 0.00 N ATOM 0 H LYS A 75 7.317 -14.389 -7.247 1.00 0.00 H new ATOM 0 HA LYS A 75 7.045 -13.010 -9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.144 -15.184 -8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.373 -14.777 -10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.633 -15.610 -10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.659 -15.733 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.343 -17.954 -9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.946 -17.511 -8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.240 -18.502 -10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.724 -16.830 -10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.697 -17.447 -12.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.522 -16.165 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.190 -17.726 -11.927 1.00 0.00 H new ATOM 667 N GLU A 76 4.110 -12.826 -8.001 1.00 0.00 N ATOM 668 CA GLU A 76 2.812 -12.162 -8.029 1.00 0.00 C ATOM 669 C GLU A 76 2.937 -10.664 -7.759 1.00 0.00 C ATOM 670 O GLU A 76 2.562 -9.849 -8.602 1.00 0.00 O ATOM 671 CB GLU A 76 1.864 -12.812 -7.013 1.00 0.00 C ATOM 672 CG GLU A 76 1.593 -14.291 -7.288 1.00 0.00 C ATOM 673 CD GLU A 76 0.905 -14.528 -8.627 1.00 0.00 C ATOM 674 OE1 GLU A 76 1.602 -14.576 -9.660 1.00 0.00 O ATOM 675 OE2 GLU A 76 -0.337 -14.662 -8.650 1.00 0.00 O ATOM 0 H GLU A 76 4.189 -13.558 -7.295 1.00 0.00 H new ATOM 0 HA GLU A 76 2.399 -12.281 -9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.289 -12.709 -6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.917 -12.271 -7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.536 -14.838 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.972 -14.696 -6.489 1.00 0.00 H new ATOM 682 N THR A 77 3.483 -10.310 -6.597 1.00 0.00 N ATOM 683 CA THR A 77 3.576 -8.910 -6.190 1.00 0.00 C ATOM 684 C THR A 77 4.417 -8.103 -7.186 1.00 0.00 C ATOM 685 O THR A 77 4.035 -7.001 -7.582 1.00 0.00 O ATOM 686 CB THR A 77 4.148 -8.766 -4.750 1.00 0.00 C ATOM 687 OG1 THR A 77 4.185 -7.385 -4.361 1.00 0.00 O ATOM 688 CG2 THR A 77 5.547 -9.368 -4.637 1.00 0.00 C ATOM 0 H THR A 77 3.867 -10.972 -5.922 1.00 0.00 H new ATOM 0 HA THR A 77 2.563 -8.507 -6.187 1.00 0.00 H new ATOM 0 HB THR A 77 3.486 -9.315 -4.080 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.907 -7.301 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.913 -9.248 -3.617 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.508 -10.428 -4.887 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.220 -8.857 -5.326 1.00 0.00 H new ATOM 696 N GLU A 78 5.537 -8.675 -7.622 1.00 0.00 N ATOM 697 CA GLU A 78 6.438 -8.003 -8.557 1.00 0.00 C ATOM 698 C GLU A 78 5.721 -7.669 -9.870 1.00 0.00 C ATOM 699 O GLU A 78 5.573 -6.495 -10.234 1.00 0.00 O ATOM 700 CB GLU A 78 7.659 -8.890 -8.837 1.00 0.00 C ATOM 701 CG GLU A 78 8.670 -8.268 -9.792 1.00 0.00 C ATOM 702 CD GLU A 78 9.816 -9.211 -10.125 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.825 -9.214 -9.388 1.00 0.00 O ATOM 704 OE2 GLU A 78 9.713 -9.944 -11.137 1.00 0.00 O ATOM 0 H GLU A 78 5.844 -9.606 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 78 6.767 -7.069 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.156 -9.115 -7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.319 -9.839 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.164 -7.978 -10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.071 -7.357 -9.348 1.00 0.00 H new ATOM 711 N GLU A 79 5.264 -8.712 -10.561 1.00 0.00 N ATOM 712 CA GLU A 79 4.622 -8.560 -11.863 1.00 0.00 C ATOM 713 C GLU A 79 3.404 -7.647 -11.770 1.00 0.00 C ATOM 714 O GLU A 79 3.267 -6.688 -12.539 1.00 0.00 O ATOM 715 CB GLU A 79 4.198 -9.928 -12.415 1.00 0.00 C ATOM 716 CG GLU A 79 5.358 -10.891 -12.653 1.00 0.00 C ATOM 717 CD GLU A 79 4.892 -12.247 -13.162 1.00 0.00 C ATOM 718 OE1 GLU A 79 4.575 -12.359 -14.366 1.00 0.00 O ATOM 719 OE2 GLU A 79 4.831 -13.207 -12.365 1.00 0.00 O ATOM 0 H GLU A 79 5.328 -9.677 -10.237 1.00 0.00 H new ATOM 0 HA GLU A 79 5.347 -8.107 -12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.496 -10.387 -11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.665 -9.779 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.048 -10.453 -13.374 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.911 -11.026 -11.724 1.00 0.00 H new ATOM 726 N ILE A 80 2.533 -7.936 -10.808 1.00 0.00 N ATOM 727 CA ILE A 80 1.264 -7.232 -10.699 1.00 0.00 C ATOM 728 C ILE A 80 1.493 -5.749 -10.387 1.00 0.00 C ATOM 729 O ILE A 80 0.852 -4.885 -10.978 1.00 0.00 O ATOM 730 CB ILE A 80 0.329 -7.888 -9.639 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.140 -7.561 -9.942 1.00 0.00 C ATOM 732 CG2 ILE A 80 0.689 -7.449 -8.219 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.634 -8.115 -11.265 1.00 0.00 C ATOM 0 H ILE A 80 2.684 -8.651 -10.096 1.00 0.00 H new ATOM 0 HA ILE A 80 0.762 -7.307 -11.663 1.00 0.00 H new ATOM 0 HB ILE A 80 0.471 -8.967 -9.699 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.763 -7.956 -9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.268 -6.479 -9.942 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.015 -7.927 -7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.716 -7.740 -7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.593 -6.366 -8.138 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.680 -7.842 -11.406 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.038 -7.701 -12.078 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.540 -9.201 -11.263 1.00 0.00 H new ATOM 745 N THR A 81 2.439 -5.457 -9.489 1.00 0.00 N ATOM 746 CA THR A 81 2.753 -4.074 -9.127 1.00 0.00 C ATOM 747 C THR A 81 3.362 -3.329 -10.318 1.00 0.00 C ATOM 748 O THR A 81 3.125 -2.132 -10.500 1.00 0.00 O ATOM 749 CB THR A 81 3.704 -4.004 -7.907 1.00 0.00 C ATOM 750 OG1 THR A 81 3.088 -4.641 -6.779 1.00 0.00 O ATOM 751 CG2 THR A 81 4.046 -2.561 -7.545 1.00 0.00 C ATOM 0 H THR A 81 2.998 -6.158 -9.002 1.00 0.00 H new ATOM 0 HA THR A 81 1.817 -3.589 -8.849 1.00 0.00 H new ATOM 0 HB THR A 81 4.628 -4.518 -8.173 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.166 -5.614 -6.870 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.715 -2.551 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.536 -2.080 -8.392 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.132 -2.021 -7.300 1.00 0.00 H new ATOM 759 N SER A 82 4.137 -4.043 -11.136 1.00 0.00 N ATOM 760 CA SER A 82 4.678 -3.469 -12.367 1.00 0.00 C ATOM 761 C SER A 82 3.525 -3.044 -13.285 1.00 0.00 C ATOM 762 O SER A 82 3.533 -1.948 -13.865 1.00 0.00 O ATOM 763 CB SER A 82 5.594 -4.481 -13.074 1.00 0.00 C ATOM 764 OG SER A 82 6.249 -3.899 -14.193 1.00 0.00 O ATOM 0 H SER A 82 4.402 -5.014 -10.969 1.00 0.00 H new ATOM 0 HA SER A 82 5.275 -2.591 -12.121 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.338 -4.854 -12.370 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.006 -5.339 -13.401 1.00 0.00 H new ATOM 0 HG SER A 82 6.825 -4.568 -14.619 1.00 0.00 H new ATOM 770 N LEU A 83 2.517 -3.908 -13.387 1.00 0.00 N ATOM 771 CA LEU A 83 1.314 -3.606 -14.157 1.00 0.00 C ATOM 772 C LEU A 83 0.568 -2.426 -13.529 1.00 0.00 C ATOM 773 O LEU A 83 0.017 -1.575 -14.233 1.00 0.00 O ATOM 774 CB LEU A 83 0.403 -4.840 -14.224 1.00 0.00 C ATOM 775 CG LEU A 83 1.026 -6.072 -14.905 1.00 0.00 C ATOM 776 CD1 LEU A 83 0.092 -7.276 -14.812 1.00 0.00 C ATOM 777 CD2 LEU A 83 1.368 -5.764 -16.363 1.00 0.00 C ATOM 0 H LEU A 83 2.511 -4.827 -12.944 1.00 0.00 H new ATOM 0 HA LEU A 83 1.605 -3.334 -15.172 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.111 -5.113 -13.210 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.509 -4.571 -14.757 1.00 0.00 H new ATOM 0 HG LEU A 83 1.949 -6.320 -14.381 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.554 -8.134 -15.300 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.094 -7.512 -13.764 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.852 -7.043 -15.305 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.807 -6.647 -16.828 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.460 -5.485 -16.899 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.080 -4.940 -16.403 1.00 0.00 H new ATOM 789 N TRP A 84 0.571 -2.377 -12.198 1.00 0.00 N ATOM 790 CA TRP A 84 -0.068 -1.288 -11.462 1.00 0.00 C ATOM 791 C TRP A 84 0.671 0.019 -11.701 1.00 0.00 C ATOM 792 O TRP A 84 0.074 1.093 -11.660 1.00 0.00 O ATOM 793 CB TRP A 84 -0.135 -1.613 -9.965 1.00 0.00 C ATOM 794 CG TRP A 84 -0.981 -2.817 -9.674 1.00 0.00 C ATOM 795 CD1 TRP A 84 -1.698 -3.539 -10.581 1.00 0.00 C ATOM 796 CD2 TRP A 84 -1.208 -3.434 -8.402 1.00 0.00 C ATOM 797 NE1 TRP A 84 -2.341 -4.570 -9.958 1.00 0.00 N ATOM 798 CE2 TRP A 84 -2.066 -4.526 -8.622 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.770 -3.179 -7.103 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -2.497 -5.357 -7.596 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -1.202 -4.004 -6.081 1.00 0.00 C ATOM 802 CH2 TRP A 84 -2.058 -5.082 -6.337 1.00 0.00 C ATOM 0 H TRP A 84 1.011 -3.082 -11.606 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.088 -1.175 -11.828 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.874 -1.782 -9.588 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.536 -0.753 -9.428 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.750 -3.326 -11.639 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -2.932 -5.262 -10.418 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.106 -2.352 -6.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.156 -6.190 -7.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.874 -3.814 -5.070 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.377 -5.709 -5.518 1.00 0.00 H new ATOM 813 N GLN A 85 1.971 -0.074 -11.954 1.00 0.00 N ATOM 814 CA GLN A 85 2.746 1.076 -12.393 1.00 0.00 C ATOM 815 C GLN A 85 2.206 1.557 -13.737 1.00 0.00 C ATOM 816 O GLN A 85 1.824 2.722 -13.888 1.00 0.00 O ATOM 817 CB GLN A 85 4.237 0.707 -12.500 1.00 0.00 C ATOM 818 CG GLN A 85 5.095 1.744 -13.221 1.00 0.00 C ATOM 819 CD GLN A 85 6.556 1.333 -13.311 1.00 0.00 C ATOM 820 OE1 GLN A 85 6.960 0.632 -14.240 1.00 0.00 O ATOM 821 NE2 GLN A 85 7.358 1.780 -12.357 1.00 0.00 N ATOM 0 H GLN A 85 2.509 -0.935 -11.862 1.00 0.00 H new ATOM 0 HA GLN A 85 2.654 1.881 -11.663 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.635 0.559 -11.496 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.326 -0.246 -13.022 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.703 1.900 -14.226 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.021 2.698 -12.699 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.983 2.358 -11.605 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.351 1.546 -12.374 1.00 0.00 H new ATOM 830 N GLY A 86 2.161 0.635 -14.699 1.00 0.00 N ATOM 831 CA GLY A 86 1.579 0.927 -16.003 1.00 0.00 C ATOM 832 C GLY A 86 0.138 1.423 -15.927 1.00 0.00 C ATOM 833 O GLY A 86 -0.322 2.148 -16.809 1.00 0.00 O ATOM 0 H GLY A 86 2.519 -0.315 -14.598 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.188 1.679 -16.504 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.614 0.027 -16.618 1.00 0.00 H new ATOM 837 N SER A 87 -0.581 1.032 -14.880 1.00 0.00 N ATOM 838 CA SER A 87 -1.976 1.439 -14.717 1.00 0.00 C ATOM 839 C SER A 87 -2.085 2.793 -13.999 1.00 0.00 C ATOM 840 O SER A 87 -2.416 3.809 -14.615 1.00 0.00 O ATOM 841 CB SER A 87 -2.748 0.359 -13.948 1.00 0.00 C ATOM 842 OG SER A 87 -2.635 -0.907 -14.589 1.00 0.00 O ATOM 0 H SER A 87 -0.224 0.436 -14.133 1.00 0.00 H new ATOM 0 HA SER A 87 -2.415 1.556 -15.708 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.365 0.290 -12.930 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.798 0.641 -13.875 1.00 0.00 H new ATOM 0 HG SER A 87 -1.713 -1.230 -14.515 1.00 0.00 H new ATOM 848 N LEU A 88 -1.765 2.801 -12.704 1.00 0.00 N ATOM 849 CA LEU A 88 -1.954 3.973 -11.840 1.00 0.00 C ATOM 850 C LEU A 88 -1.293 5.232 -12.406 1.00 0.00 C ATOM 851 O LEU A 88 -1.926 6.285 -12.510 1.00 0.00 O ATOM 852 CB LEU A 88 -1.386 3.688 -10.439 1.00 0.00 C ATOM 853 CG LEU A 88 -2.081 2.563 -9.648 1.00 0.00 C ATOM 854 CD1 LEU A 88 -1.242 2.161 -8.437 1.00 0.00 C ATOM 855 CD2 LEU A 88 -3.477 2.992 -9.203 1.00 0.00 C ATOM 0 H LEU A 88 -1.367 1.995 -12.222 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.027 4.159 -11.785 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.330 3.436 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.440 4.605 -9.853 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.180 1.700 -10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.749 1.365 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.267 1.807 -8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.110 3.023 -7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.947 2.181 -8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.401 3.873 -8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.081 3.229 -10.079 1.00 0.00 H new ATOM 867 N PHE A 89 -0.025 5.118 -12.781 1.00 0.00 N ATOM 868 CA PHE A 89 0.766 6.291 -13.147 1.00 0.00 C ATOM 869 C PHE A 89 0.429 6.794 -14.546 1.00 0.00 C ATOM 870 O PHE A 89 0.629 7.973 -14.850 1.00 0.00 O ATOM 871 CB PHE A 89 2.257 5.984 -13.003 1.00 0.00 C ATOM 872 CG PHE A 89 2.614 5.569 -11.597 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.450 6.454 -10.540 1.00 0.00 C ATOM 874 CD2 PHE A 89 3.077 4.292 -11.325 1.00 0.00 C ATOM 875 CE1 PHE A 89 2.746 6.073 -9.247 1.00 0.00 C ATOM 876 CE2 PHE A 89 3.372 3.905 -10.032 1.00 0.00 C ATOM 877 CZ PHE A 89 3.206 4.797 -8.993 1.00 0.00 C ATOM 0 H PHE A 89 0.477 4.232 -12.840 1.00 0.00 H new ATOM 0 HA PHE A 89 0.511 7.098 -12.460 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.532 5.190 -13.697 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.837 6.864 -13.280 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.086 7.453 -10.732 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.209 3.590 -12.135 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.618 6.773 -8.435 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.732 2.906 -9.835 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.436 4.497 -7.981 1.00 0.00 H new ATOM 887 N ASN A 90 -0.090 5.911 -15.393 1.00 0.00 N ATOM 888 CA ASN A 90 -0.585 6.321 -16.710 1.00 0.00 C ATOM 889 C ASN A 90 -2.001 6.871 -16.579 1.00 0.00 C ATOM 890 O ASN A 90 -2.475 7.611 -17.439 1.00 0.00 O ATOM 891 CB ASN A 90 -0.544 5.159 -17.713 1.00 0.00 C ATOM 892 CG ASN A 90 0.868 4.863 -18.202 1.00 0.00 C ATOM 893 OD1 ASN A 90 1.710 5.760 -18.284 1.00 0.00 O ATOM 894 ND2 ASN A 90 1.138 3.611 -18.531 1.00 0.00 N ATOM 0 H ASN A 90 -0.180 4.914 -15.197 1.00 0.00 H new ATOM 0 HA ASN A 90 0.069 7.104 -17.094 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.959 4.265 -17.247 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.179 5.397 -18.567 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.069 3.361 -18.866 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.416 2.895 -18.450 1.00 0.00 H new ATOM 901 N ALA A 91 -2.661 6.515 -15.479 1.00 0.00 N ATOM 902 CA ALA A 91 -3.969 7.072 -15.139 1.00 0.00 C ATOM 903 C ALA A 91 -3.812 8.430 -14.443 1.00 0.00 C ATOM 904 O ALA A 91 -4.777 8.976 -13.897 1.00 0.00 O ATOM 905 CB ALA A 91 -4.746 6.098 -14.259 1.00 0.00 C ATOM 0 H ALA A 91 -2.308 5.838 -14.803 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.532 7.227 -16.060 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.718 6.526 -14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.887 5.158 -14.793 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.189 5.913 -13.341 1.00 0.00 H new ATOM 911 N ASN A 92 -2.577 8.953 -14.468 1.00 0.00 N ATOM 912 CA ASN A 92 -2.246 10.291 -13.954 1.00 0.00 C ATOM 913 C ASN A 92 -2.218 10.340 -12.427 1.00 0.00 C ATOM 914 O ASN A 92 -2.208 11.425 -11.838 1.00 0.00 O ATOM 915 CB ASN A 92 -3.204 11.364 -14.508 1.00 0.00 C ATOM 916 CG ASN A 92 -3.017 11.605 -15.999 1.00 0.00 C ATOM 917 OD1 ASN A 92 -2.187 12.419 -16.405 1.00 0.00 O ATOM 918 ND2 ASN A 92 -3.789 10.906 -16.821 1.00 0.00 N ATOM 0 H ASN A 92 -1.773 8.455 -14.849 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.239 10.512 -14.307 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.233 11.058 -14.320 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.046 12.299 -13.970 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.707 11.033 -17.830 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.465 10.241 -16.444 1.00 0.00 H new ATOM 925 N TYR A 93 -2.177 9.178 -11.783 1.00 0.00 N ATOM 926 CA TYR A 93 -2.073 9.122 -10.326 1.00 0.00 C ATOM 927 C TYR A 93 -0.605 9.101 -9.906 1.00 0.00 C ATOM 928 O TYR A 93 0.257 8.670 -10.676 1.00 0.00 O ATOM 929 CB TYR A 93 -2.791 7.881 -9.773 1.00 0.00 C ATOM 930 CG TYR A 93 -4.250 7.778 -10.186 1.00 0.00 C ATOM 931 CD1 TYR A 93 -5.070 8.904 -10.214 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.802 6.558 -10.561 1.00 0.00 C ATOM 933 CE1 TYR A 93 -6.392 8.814 -10.599 1.00 0.00 C ATOM 934 CE2 TYR A 93 -6.124 6.462 -10.951 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.915 7.593 -10.969 1.00 0.00 C ATOM 936 OH TYR A 93 -8.231 7.503 -11.362 1.00 0.00 O ATOM 0 H TYR A 93 -2.214 8.268 -12.241 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.553 10.010 -9.915 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.264 6.988 -10.110 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.732 7.894 -8.685 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.664 9.864 -9.930 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.187 5.670 -10.547 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.015 9.696 -10.610 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.536 5.507 -11.240 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.441 6.574 -11.591 1.00 0.00 H new ATOM 946 N ASP A 94 -0.325 9.578 -8.696 1.00 0.00 N ATOM 947 CA ASP A 94 1.032 9.552 -8.149 1.00 0.00 C ATOM 948 C ASP A 94 0.981 9.415 -6.631 1.00 0.00 C ATOM 949 O ASP A 94 1.106 10.391 -5.891 1.00 0.00 O ATOM 950 CB ASP A 94 1.833 10.801 -8.561 1.00 0.00 C ATOM 951 CG ASP A 94 3.292 10.762 -8.098 1.00 0.00 C ATOM 952 OD1 ASP A 94 3.940 9.694 -8.206 1.00 0.00 O ATOM 953 OD2 ASP A 94 3.818 11.814 -7.665 1.00 0.00 O ATOM 0 H ASP A 94 -1.020 9.989 -8.073 1.00 0.00 H new ATOM 0 HA ASP A 94 1.548 8.686 -8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.806 10.901 -9.646 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.351 11.687 -8.147 1.00 0.00 H new ATOM 958 N VAL A 95 0.721 8.193 -6.187 1.00 0.00 N ATOM 959 CA VAL A 95 0.745 7.849 -4.769 1.00 0.00 C ATOM 960 C VAL A 95 2.154 7.413 -4.393 1.00 0.00 C ATOM 961 O VAL A 95 3.020 7.321 -5.267 1.00 0.00 O ATOM 962 CB VAL A 95 -0.252 6.696 -4.464 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.671 7.091 -4.857 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.170 5.407 -5.176 1.00 0.00 C ATOM 0 H VAL A 95 0.487 7.411 -6.799 1.00 0.00 H new ATOM 0 HA VAL A 95 0.450 8.722 -4.187 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.236 6.510 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.352 6.269 -4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.972 7.974 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.705 7.312 -5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.543 4.615 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.191 5.576 -6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.162 5.111 -4.835 1.00 0.00 H new ATOM 974 N GLN A 96 2.403 7.122 -3.120 1.00 0.00 N ATOM 975 CA GLN A 96 3.696 6.566 -2.743 1.00 0.00 C ATOM 976 C GLN A 96 3.535 5.065 -2.575 1.00 0.00 C ATOM 977 O GLN A 96 2.573 4.596 -1.965 1.00 0.00 O ATOM 978 CB GLN A 96 4.266 7.227 -1.478 1.00 0.00 C ATOM 979 CG GLN A 96 5.675 6.751 -1.094 1.00 0.00 C ATOM 980 CD GLN A 96 6.734 7.008 -2.170 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.445 7.007 -3.365 1.00 0.00 O ATOM 982 NE2 GLN A 96 7.977 7.231 -1.755 1.00 0.00 N ATOM 0 H GLN A 96 1.746 7.257 -2.351 1.00 0.00 H new ATOM 0 HA GLN A 96 4.422 6.772 -3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.288 8.307 -1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.590 7.033 -0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.978 7.251 -0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.641 5.683 -0.880 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.190 7.226 -0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.718 7.407 -2.434 1.00 0.00 H new ATOM 991 N ARG A 97 4.465 4.319 -3.147 1.00 0.00 N ATOM 992 CA ARG A 97 4.285 2.893 -3.362 1.00 0.00 C ATOM 993 C ARG A 97 5.549 2.127 -3.009 1.00 0.00 C ATOM 994 O ARG A 97 6.649 2.515 -3.409 1.00 0.00 O ATOM 995 CB ARG A 97 3.900 2.627 -4.832 1.00 0.00 C ATOM 996 CG ARG A 97 4.905 3.152 -5.873 1.00 0.00 C ATOM 997 CD ARG A 97 4.935 4.682 -5.944 1.00 0.00 C ATOM 998 NE ARG A 97 5.860 5.175 -6.971 1.00 0.00 N ATOM 999 CZ ARG A 97 5.768 6.379 -7.553 1.00 0.00 C ATOM 1000 NH1 ARG A 97 4.824 7.239 -7.181 1.00 0.00 N ATOM 1001 NH2 ARG A 97 6.632 6.718 -8.500 1.00 0.00 N ATOM 0 H ARG A 97 5.361 4.682 -3.474 1.00 0.00 H new ATOM 0 HA ARG A 97 3.482 2.547 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.782 1.552 -4.972 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.929 3.082 -5.025 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.901 2.784 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.649 2.751 -6.854 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.932 5.053 -6.154 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.227 5.083 -4.973 1.00 0.00 H new ATOM 0 HE ARG A 97 6.622 4.562 -7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.163 6.984 -6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.761 8.153 -7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.362 6.064 -8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.567 7.633 -8.946 1.00 0.00 H new ATOM 1015 N PHE A 98 5.387 1.045 -2.260 1.00 0.00 N ATOM 1016 CA PHE A 98 6.506 0.182 -1.902 1.00 0.00 C ATOM 1017 C PHE A 98 6.103 -1.284 -2.018 1.00 0.00 C ATOM 1018 O PHE A 98 5.031 -1.686 -1.554 1.00 0.00 O ATOM 1019 CB PHE A 98 6.998 0.481 -0.474 1.00 0.00 C ATOM 1020 CG PHE A 98 7.593 1.858 -0.306 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.829 2.167 -0.860 1.00 0.00 C ATOM 1022 CD2 PHE A 98 6.919 2.840 0.404 1.00 0.00 C ATOM 1023 CE1 PHE A 98 9.375 3.427 -0.709 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.462 4.102 0.558 1.00 0.00 C ATOM 1025 CZ PHE A 98 8.692 4.395 0.002 1.00 0.00 C ATOM 0 H PHE A 98 4.487 0.742 -1.887 1.00 0.00 H new ATOM 0 HA PHE A 98 7.322 0.383 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.163 0.370 0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.744 -0.263 -0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.369 1.414 -1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.958 2.616 0.842 1.00 0.00 H new ATOM 0 HE1 PHE A 98 10.336 3.655 -1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.925 4.858 1.112 1.00 0.00 H new ATOM 0 HZ PHE A 98 9.119 5.379 0.123 1.00 0.00 H new ATOM 1035 N ILE A 99 6.954 -2.072 -2.665 1.00 0.00 N ATOM 1036 CA ILE A 99 6.765 -3.513 -2.725 1.00 0.00 C ATOM 1037 C ILE A 99 7.458 -4.164 -1.527 1.00 0.00 C ATOM 1038 O ILE A 99 8.641 -4.515 -1.571 1.00 0.00 O ATOM 1039 CB ILE A 99 7.278 -4.112 -4.070 1.00 0.00 C ATOM 1040 CG1 ILE A 99 7.173 -5.650 -4.062 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.708 -3.660 -4.369 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.638 -6.306 -5.352 1.00 0.00 C ATOM 0 H ILE A 99 7.782 -1.735 -3.156 1.00 0.00 H new ATOM 0 HA ILE A 99 5.697 -3.725 -2.680 1.00 0.00 H new ATOM 0 HB ILE A 99 6.639 -3.734 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.764 -6.040 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.137 -5.933 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.037 -4.094 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.739 -2.573 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.369 -3.990 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.533 -7.388 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.031 -5.946 -6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.684 -6.055 -5.531 1.00 0.00 H new ATOM 1054 N VAL A 100 6.711 -4.276 -0.442 1.00 0.00 N ATOM 1055 CA VAL A 100 7.201 -4.856 0.798 1.00 0.00 C ATOM 1056 C VAL A 100 6.128 -5.775 1.367 1.00 0.00 C ATOM 1057 O VAL A 100 4.942 -5.438 1.349 1.00 0.00 O ATOM 1058 CB VAL A 100 7.597 -3.759 1.826 1.00 0.00 C ATOM 1059 CG1 VAL A 100 6.462 -2.760 2.033 1.00 0.00 C ATOM 1060 CG2 VAL A 100 8.031 -4.377 3.154 1.00 0.00 C ATOM 0 H VAL A 100 5.741 -3.965 -0.396 1.00 0.00 H new ATOM 0 HA VAL A 100 8.103 -5.431 0.589 1.00 0.00 H new ATOM 0 HB VAL A 100 8.449 -3.216 1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.769 -2.005 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.224 -2.278 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.581 -3.283 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.302 -3.585 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.210 -4.962 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.891 -5.026 2.990 1.00 0.00 H new ATOM 1070 N GLY A 101 6.546 -6.931 1.861 1.00 0.00 N ATOM 1071 CA GLY A 101 5.607 -7.993 2.157 1.00 0.00 C ATOM 1072 C GLY A 101 5.437 -8.872 0.934 1.00 0.00 C ATOM 1073 O GLY A 101 4.769 -8.484 -0.013 1.00 0.00 O ATOM 0 H GLY A 101 7.521 -7.153 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.966 -8.587 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.646 -7.572 2.452 1.00 0.00 H new ATOM 1077 N SER A 102 6.085 -10.030 0.945 1.00 0.00 N ATOM 1078 CA SER A 102 6.175 -10.902 -0.228 1.00 0.00 C ATOM 1079 C SER A 102 4.824 -11.115 -0.935 1.00 0.00 C ATOM 1080 O SER A 102 4.769 -11.210 -2.163 1.00 0.00 O ATOM 1081 CB SER A 102 6.762 -12.248 0.196 1.00 0.00 C ATOM 1082 OG SER A 102 7.970 -12.068 0.919 1.00 0.00 O ATOM 0 H SER A 102 6.565 -10.395 1.767 1.00 0.00 H new ATOM 0 HA SER A 102 6.823 -10.407 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.041 -12.786 0.812 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.949 -12.862 -0.685 1.00 0.00 H new ATOM 0 HG SER A 102 8.327 -12.942 1.182 1.00 0.00 H new ATOM 1088 N ASP A 103 3.743 -11.191 -0.164 1.00 0.00 N ATOM 1089 CA ASP A 103 2.413 -11.481 -0.710 1.00 0.00 C ATOM 1090 C ASP A 103 1.565 -10.212 -0.848 1.00 0.00 C ATOM 1091 O ASP A 103 0.366 -10.282 -1.151 1.00 0.00 O ATOM 1092 CB ASP A 103 1.700 -12.499 0.195 1.00 0.00 C ATOM 1093 CG ASP A 103 1.401 -11.962 1.592 1.00 0.00 C ATOM 1094 OD1 ASP A 103 2.303 -11.349 2.213 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.264 -12.156 2.077 1.00 0.00 O ATOM 0 H ASP A 103 3.759 -11.056 0.847 1.00 0.00 H new ATOM 0 HA ASP A 103 2.540 -11.898 -1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.766 -12.802 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.318 -13.393 0.282 1.00 0.00 H new ATOM 1100 N ARG A 104 2.193 -9.051 -0.662 1.00 0.00 N ATOM 1101 CA ARG A 104 1.467 -7.782 -0.578 1.00 0.00 C ATOM 1102 C ARG A 104 2.226 -6.633 -1.243 1.00 0.00 C ATOM 1103 O ARG A 104 3.431 -6.709 -1.484 1.00 0.00 O ATOM 1104 CB ARG A 104 1.199 -7.419 0.894 1.00 0.00 C ATOM 1105 CG ARG A 104 0.268 -8.391 1.607 1.00 0.00 C ATOM 1106 CD ARG A 104 0.014 -7.993 3.053 1.00 0.00 C ATOM 1107 NE ARG A 104 -0.977 -8.869 3.679 1.00 0.00 N ATOM 1108 CZ ARG A 104 -0.680 -10.013 4.296 1.00 0.00 C ATOM 1109 NH1 ARG A 104 0.581 -10.415 4.391 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -1.647 -10.764 4.809 1.00 0.00 N ATOM 0 H ARG A 104 3.205 -8.962 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 104 0.527 -7.921 -1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.148 -7.382 1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.769 -6.419 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.681 -8.438 1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.700 -9.391 1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.948 -8.037 3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.333 -6.961 3.093 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.956 -8.587 3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.329 -9.848 3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 104 0.803 -11.291 4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.619 -10.466 4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.418 -11.639 5.281 1.00 0.00 H new ATOM 1124 N ALA A 105 1.481 -5.582 -1.576 1.00 0.00 N ATOM 1125 CA ALA A 105 2.057 -4.304 -1.980 1.00 0.00 C ATOM 1126 C ALA A 105 1.391 -3.185 -1.184 1.00 0.00 C ATOM 1127 O ALA A 105 0.199 -3.272 -0.875 1.00 0.00 O ATOM 1128 CB ALA A 105 1.874 -4.084 -3.480 1.00 0.00 C ATOM 0 H ALA A 105 0.461 -5.593 -1.573 1.00 0.00 H new ATOM 0 HA ALA A 105 3.127 -4.305 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.310 -3.126 -3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.370 -4.885 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.811 -4.084 -3.721 1.00 0.00 H new ATOM 1134 N ILE A 106 2.146 -2.145 -0.833 1.00 0.00 N ATOM 1135 CA ILE A 106 1.601 -1.058 -0.020 1.00 0.00 C ATOM 1136 C ILE A 106 1.564 0.253 -0.804 1.00 0.00 C ATOM 1137 O ILE A 106 2.482 0.560 -1.578 1.00 0.00 O ATOM 1138 CB ILE A 106 2.397 -0.859 1.300 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.720 0.201 2.188 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.848 -0.477 1.011 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.417 0.424 3.513 1.00 0.00 C ATOM 0 H ILE A 106 3.125 -2.032 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 106 0.582 -1.346 0.240 1.00 0.00 H new ATOM 0 HB ILE A 106 2.400 -1.806 1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.681 1.145 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.690 -0.101 2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.383 -0.344 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.324 -1.268 0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.873 0.454 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.882 1.184 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.432 -0.508 4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.439 0.757 3.335 1.00 0.00 H new ATOM 1153 N PHE A 107 0.496 1.020 -0.591 1.00 0.00 N ATOM 1154 CA PHE A 107 0.292 2.300 -1.263 1.00 0.00 C ATOM 1155 C PHE A 107 -0.170 3.329 -0.246 1.00 0.00 C ATOM 1156 O PHE A 107 -1.305 3.268 0.230 1.00 0.00 O ATOM 1157 CB PHE A 107 -0.767 2.192 -2.377 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.378 1.307 -3.534 1.00 0.00 C ATOM 1159 CD1 PHE A 107 0.475 1.773 -4.525 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -0.866 0.011 -3.632 1.00 0.00 C ATOM 1161 CE1 PHE A 107 0.831 0.967 -5.589 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -0.512 -0.797 -4.693 1.00 0.00 C ATOM 1163 CZ PHE A 107 0.338 -0.319 -5.673 1.00 0.00 C ATOM 0 H PHE A 107 -0.253 0.770 0.054 1.00 0.00 H new ATOM 0 HA PHE A 107 1.238 2.599 -1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.693 1.814 -1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.978 3.192 -2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.865 2.778 -4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.530 -0.369 -2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.494 1.343 -6.354 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.899 -1.803 -4.758 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.616 -0.951 -6.503 1.00 0.00 H new ATOM 1173 N MET A 108 0.705 4.252 0.116 1.00 0.00 N ATOM 1174 CA MET A 108 0.327 5.327 1.020 1.00 0.00 C ATOM 1175 C MET A 108 -0.116 6.554 0.222 1.00 0.00 C ATOM 1176 O MET A 108 0.631 7.082 -0.620 1.00 0.00 O ATOM 1177 CB MET A 108 1.461 5.676 1.997 1.00 0.00 C ATOM 1178 CG MET A 108 2.816 5.894 1.342 1.00 0.00 C ATOM 1179 SD MET A 108 3.569 4.361 0.758 1.00 0.00 S ATOM 1180 CE MET A 108 3.881 3.521 2.311 1.00 0.00 C ATOM 0 H MET A 108 1.675 4.280 -0.199 1.00 0.00 H new ATOM 0 HA MET A 108 -0.513 4.982 1.623 1.00 0.00 H new ATOM 0 HB2 MET A 108 1.187 6.578 2.544 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.551 4.874 2.730 1.00 0.00 H new ATOM 0 HG2 MET A 108 2.702 6.580 0.502 1.00 0.00 H new ATOM 0 HG3 MET A 108 3.486 6.373 2.056 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.472 2.624 2.127 1.00 0.00 H new ATOM 0 HE2 MET A 108 4.428 4.185 2.980 1.00 0.00 H new ATOM 0 HE3 MET A 108 2.933 3.243 2.771 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.353 6.973 0.472 1.00 0.00 N ATOM 1191 CA LEU A 109 -1.941 8.129 -0.183 1.00 0.00 C ATOM 1192 C LEU A 109 -1.986 9.291 0.800 1.00 0.00 C ATOM 1193 O LEU A 109 -2.593 9.185 1.869 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.371 7.826 -0.678 1.00 0.00 C ATOM 1195 CG LEU A 109 -3.502 6.753 -1.779 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -3.225 5.355 -1.232 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -4.887 6.810 -2.424 1.00 0.00 C ATOM 0 H LEU A 109 -1.976 6.516 1.138 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.327 8.384 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.970 7.513 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.807 8.753 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.753 6.968 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.326 4.624 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.212 5.315 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.939 5.126 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.960 6.046 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.649 6.632 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.041 7.793 -2.869 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.338 10.388 0.449 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.353 11.571 1.288 1.00 0.00 C ATOM 1211 C ARG A 110 -2.767 12.144 1.268 1.00 0.00 C ATOM 1212 O ARG A 110 -3.407 12.300 2.308 1.00 0.00 O ATOM 1213 CB ARG A 110 -0.317 12.596 0.780 1.00 0.00 C ATOM 1214 CG ARG A 110 0.519 13.247 1.882 1.00 0.00 C ATOM 1215 CD ARG A 110 -0.327 14.088 2.834 1.00 0.00 C ATOM 1216 NE ARG A 110 -1.157 15.055 2.105 1.00 0.00 N ATOM 1217 CZ ARG A 110 -1.483 16.265 2.553 1.00 0.00 C ATOM 1218 NH1 ARG A 110 -1.057 16.687 3.733 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -2.242 17.056 1.812 1.00 0.00 N ATOM 0 H ARG A 110 -0.796 10.483 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.080 11.322 2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.353 12.100 0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.838 13.377 0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.036 12.472 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.285 13.876 1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.965 13.435 3.429 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.324 14.617 3.530 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.509 14.779 1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.472 16.083 4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.314 17.617 4.065 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.574 16.737 0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.495 17.984 2.151 1.00 0.00 H new ATOM 1233 N ASP A 111 -3.261 12.399 0.058 1.00 0.00 N ATOM 1234 CA ASP A 111 -4.637 12.833 -0.150 1.00 0.00 C ATOM 1235 C ASP A 111 -5.413 11.733 -0.879 1.00 0.00 C ATOM 1236 O ASP A 111 -5.151 11.451 -2.051 1.00 0.00 O ATOM 1237 CB ASP A 111 -4.677 14.138 -0.963 1.00 0.00 C ATOM 1238 CG ASP A 111 -3.949 15.290 -0.280 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -2.704 15.364 -0.385 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -4.614 16.134 0.359 1.00 0.00 O ATOM 0 H ASP A 111 -2.719 12.310 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.099 13.022 0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.230 13.963 -1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.716 14.422 -1.133 1.00 0.00 H new ATOM 1245 N GLY A 112 -6.359 11.109 -0.181 1.00 0.00 N ATOM 1246 CA GLY A 112 -7.099 9.988 -0.745 1.00 0.00 C ATOM 1247 C GLY A 112 -8.309 10.418 -1.557 1.00 0.00 C ATOM 1248 O GLY A 112 -9.433 9.988 -1.282 1.00 0.00 O ATOM 0 H GLY A 112 -6.629 11.360 0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.433 9.403 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.426 9.333 0.063 1.00 0.00 H new ATOM 1252 N SER A 113 -8.082 11.254 -2.567 1.00 0.00 N ATOM 1253 CA SER A 113 -9.159 11.729 -3.438 1.00 0.00 C ATOM 1254 C SER A 113 -9.703 10.595 -4.314 1.00 0.00 C ATOM 1255 O SER A 113 -10.877 10.587 -4.678 1.00 0.00 O ATOM 1256 CB SER A 113 -8.646 12.872 -4.321 1.00 0.00 C ATOM 1257 OG SER A 113 -8.089 13.912 -3.532 1.00 0.00 O ATOM 0 H SER A 113 -7.160 11.619 -2.805 1.00 0.00 H new ATOM 0 HA SER A 113 -9.972 12.091 -2.809 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.894 12.493 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.464 13.266 -4.924 1.00 0.00 H new ATOM 0 HG SER A 113 -7.767 14.629 -4.117 1.00 0.00 H new ATOM 1263 N TYR A 114 -8.839 9.633 -4.629 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.203 8.511 -5.500 1.00 0.00 C ATOM 1265 C TYR A 114 -8.935 7.177 -4.810 1.00 0.00 C ATOM 1266 O TYR A 114 -8.689 6.158 -5.460 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.447 8.601 -6.838 1.00 0.00 C ATOM 1268 CG TYR A 114 -6.953 8.855 -6.713 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.046 7.803 -6.612 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.448 10.153 -6.712 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -4.686 8.038 -6.512 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -5.091 10.394 -6.616 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.214 9.336 -6.516 1.00 0.00 C ATOM 1274 OH TYR A 114 -2.859 9.574 -6.427 1.00 0.00 O ATOM 0 H TYR A 114 -7.876 9.606 -4.293 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.272 8.570 -5.707 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.598 7.672 -7.387 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.888 9.399 -7.435 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.410 6.786 -6.612 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -7.130 10.987 -6.788 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -3.997 7.210 -6.431 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.719 11.408 -6.619 1.00 0.00 H new ATOM 0 HH TYR A 114 -2.695 10.540 -6.444 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.031 7.190 -3.483 1.00 0.00 N ATOM 1285 CA ALA A 115 -8.763 6.006 -2.669 1.00 0.00 C ATOM 1286 C ALA A 115 -9.679 4.841 -3.046 1.00 0.00 C ATOM 1287 O ALA A 115 -9.241 3.694 -3.158 1.00 0.00 O ATOM 1288 CB ALA A 115 -8.930 6.344 -1.192 1.00 0.00 C ATOM 0 H ALA A 115 -9.295 8.015 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.736 5.695 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.729 5.457 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.231 7.134 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.950 6.683 -1.009 1.00 0.00 H new ATOM 1294 N TRP A 116 -10.953 5.141 -3.249 1.00 0.00 N ATOM 1295 CA TRP A 116 -11.949 4.106 -3.511 1.00 0.00 C ATOM 1296 C TRP A 116 -11.775 3.532 -4.914 1.00 0.00 C ATOM 1297 O TRP A 116 -11.964 2.336 -5.130 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.358 4.673 -3.309 1.00 0.00 C ATOM 1299 CG TRP A 116 -13.462 5.485 -2.049 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -13.934 6.759 -1.931 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.038 5.089 -0.737 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -13.833 7.177 -0.628 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -13.287 6.172 0.125 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.471 3.924 -0.207 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -12.992 6.124 1.484 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.177 3.880 1.141 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -12.437 4.972 1.973 1.00 0.00 C ATOM 0 H TRP A 116 -11.324 6.091 -3.238 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.806 3.289 -2.804 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.625 5.294 -4.164 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.077 3.854 -3.273 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -14.329 7.351 -2.743 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -14.119 8.091 -0.276 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -12.267 3.074 -0.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -13.194 6.966 2.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.739 2.986 1.560 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -12.195 4.906 3.023 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.369 4.386 -5.850 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.147 3.968 -7.230 1.00 0.00 C ATOM 1320 C GLU A 117 -10.006 2.949 -7.305 1.00 0.00 C ATOM 1321 O GLU A 117 -10.167 1.869 -7.877 1.00 0.00 O ATOM 1322 CB GLU A 117 -10.850 5.186 -8.114 1.00 0.00 C ATOM 1323 CG GLU A 117 -12.009 6.176 -8.184 1.00 0.00 C ATOM 1324 CD GLU A 117 -11.718 7.368 -9.079 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -11.846 7.236 -10.315 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -11.370 8.447 -8.552 1.00 0.00 O ATOM 0 H GLU A 117 -11.187 5.374 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.054 3.489 -7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.967 5.697 -7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.610 4.846 -9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.897 5.662 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.238 6.531 -7.179 1.00 0.00 H new ATOM 1333 N ILE A 118 -8.863 3.289 -6.705 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.719 2.376 -6.681 1.00 0.00 C ATOM 1335 C ILE A 118 -8.077 1.104 -5.910 1.00 0.00 C ATOM 1336 O ILE A 118 -7.705 0.004 -6.313 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.442 3.041 -6.082 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.258 2.054 -6.078 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.701 3.571 -4.677 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -3.956 2.660 -5.590 1.00 0.00 C ATOM 0 H ILE A 118 -8.706 4.180 -6.234 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.486 2.117 -7.714 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.182 3.887 -6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.510 1.202 -5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.113 1.671 -7.088 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.792 4.028 -4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.496 4.316 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.001 2.749 -4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.171 1.905 -5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.679 3.494 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.082 3.018 -4.568 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.834 1.261 -4.822 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.320 0.122 -4.040 1.00 0.00 C ATOM 1354 C LYS A 119 -10.043 -0.881 -4.941 1.00 0.00 C ATOM 1355 O LYS A 119 -9.660 -2.055 -5.028 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.277 0.609 -2.942 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.920 -0.513 -2.124 1.00 0.00 C ATOM 1358 CD LYS A 119 -12.019 0.012 -1.196 1.00 0.00 C ATOM 1359 CE LYS A 119 -13.196 0.601 -1.974 1.00 0.00 C ATOM 1360 NZ LYS A 119 -13.886 -0.423 -2.806 1.00 0.00 N ATOM 0 H LYS A 119 -9.125 2.170 -4.461 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.462 -0.371 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.731 1.268 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.065 1.205 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -11.341 -1.258 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.155 -1.015 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.375 -0.799 -0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -11.603 0.774 -0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.908 1.040 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.839 1.408 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.622 0.035 -3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.196 -0.884 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -14.323 -1.136 -2.188 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.082 -0.405 -5.623 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.908 -1.264 -6.464 1.00 0.00 C ATOM 1376 C ASP A 120 -11.133 -1.755 -7.679 1.00 0.00 C ATOM 1377 O ASP A 120 -11.410 -2.835 -8.209 1.00 0.00 O ATOM 1378 CB ASP A 120 -13.196 -0.547 -6.888 1.00 0.00 C ATOM 1379 CG ASP A 120 -14.154 -0.371 -5.720 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.679 -1.386 -5.223 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -14.369 0.774 -5.273 1.00 0.00 O ATOM 0 H ASP A 120 -11.371 0.573 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.188 -2.136 -5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -12.948 0.429 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -13.686 -1.116 -7.678 1.00 0.00 H new ATOM 1386 N PHE A 121 -10.138 -0.985 -8.100 1.00 0.00 N ATOM 1387 CA PHE A 121 -9.278 -1.390 -9.203 1.00 0.00 C ATOM 1388 C PHE A 121 -8.478 -2.629 -8.804 1.00 0.00 C ATOM 1389 O PHE A 121 -8.344 -3.577 -9.579 1.00 0.00 O ATOM 1390 CB PHE A 121 -8.336 -0.238 -9.590 1.00 0.00 C ATOM 1391 CG PHE A 121 -7.221 -0.641 -10.524 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.484 -0.953 -11.851 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.909 -0.708 -10.072 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.462 -1.324 -12.702 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.886 -1.078 -10.921 1.00 0.00 C ATOM 1396 CZ PHE A 121 -5.163 -1.386 -12.237 1.00 0.00 C ATOM 0 H PHE A 121 -9.907 -0.078 -7.695 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.894 -1.634 -10.069 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.921 0.553 -10.060 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.902 0.182 -8.683 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.497 -0.905 -12.221 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.687 -0.467 -9.043 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.679 -1.566 -13.732 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.871 -1.126 -10.556 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.364 -1.676 -12.904 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.965 -2.612 -7.578 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.146 -3.706 -7.067 1.00 0.00 C ATOM 1408 C LEU A 122 -7.990 -4.948 -6.762 1.00 0.00 C ATOM 1409 O LEU A 122 -7.550 -6.072 -7.003 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.378 -3.248 -5.819 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.466 -2.026 -6.038 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -4.753 -1.635 -4.749 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -4.458 -2.291 -7.154 1.00 0.00 C ATOM 0 H LEU A 122 -8.103 -1.848 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.430 -3.984 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.096 -3.013 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.771 -4.078 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.097 -1.190 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.116 -0.770 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.491 -1.387 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.141 -2.469 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.826 -1.413 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.838 -3.147 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.990 -2.502 -8.082 1.00 0.00 H new ATOM 1425 N VAL A 123 -9.203 -4.761 -6.242 1.00 0.00 N ATOM 1426 CA VAL A 123 -10.073 -5.907 -5.948 1.00 0.00 C ATOM 1427 C VAL A 123 -10.636 -6.510 -7.242 1.00 0.00 C ATOM 1428 O VAL A 123 -10.964 -7.695 -7.298 1.00 0.00 O ATOM 1429 CB VAL A 123 -11.234 -5.538 -4.986 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -10.694 -4.880 -3.716 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -12.266 -4.647 -5.672 1.00 0.00 C ATOM 0 H VAL A 123 -9.602 -3.849 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 123 -9.453 -6.649 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 123 -11.739 -6.461 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -11.524 -4.629 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -10.020 -5.570 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -10.152 -3.971 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -13.065 -4.408 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.788 -3.726 -6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -12.684 -5.170 -6.532 1.00 0.00 H new ATOM 1441 N SER A 124 -10.733 -5.680 -8.281 1.00 0.00 N ATOM 1442 CA SER A 124 -11.189 -6.116 -9.606 1.00 0.00 C ATOM 1443 C SER A 124 -10.018 -6.681 -10.426 1.00 0.00 C ATOM 1444 O SER A 124 -10.176 -7.037 -11.596 1.00 0.00 O ATOM 1445 CB SER A 124 -11.845 -4.938 -10.342 1.00 0.00 C ATOM 1446 OG SER A 124 -12.483 -5.357 -11.539 1.00 0.00 O ATOM 0 H SER A 124 -10.499 -4.689 -8.231 1.00 0.00 H new ATOM 0 HA SER A 124 -11.925 -6.910 -9.481 1.00 0.00 H new ATOM 0 HB2 SER A 124 -12.575 -4.461 -9.688 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.089 -4.188 -10.576 1.00 0.00 H new ATOM 0 HG SER A 124 -11.936 -6.041 -11.979 1.00 0.00 H new ATOM 1452 N GLN A 125 -8.849 -6.750 -9.792 1.00 0.00 N ATOM 1453 CA GLN A 125 -7.597 -7.068 -10.483 1.00 0.00 C ATOM 1454 C GLN A 125 -7.596 -8.498 -11.038 1.00 0.00 C ATOM 1455 O GLN A 125 -8.337 -9.364 -10.564 1.00 0.00 O ATOM 1456 CB GLN A 125 -6.411 -6.870 -9.527 1.00 0.00 C ATOM 1457 CG GLN A 125 -5.057 -6.834 -10.216 1.00 0.00 C ATOM 1458 CD GLN A 125 -5.001 -5.782 -11.307 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -5.264 -6.066 -12.474 1.00 0.00 O ATOM 1460 NE2 GLN A 125 -4.685 -4.555 -10.928 1.00 0.00 N ATOM 0 H GLN A 125 -8.741 -6.588 -8.791 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.502 -6.389 -11.331 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.552 -5.939 -8.978 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.412 -7.676 -8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.280 -6.632 -9.478 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.843 -7.813 -10.645 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.474 -4.362 -9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -4.653 -3.802 -11.615 1.00 0.00 H new ATOM 1469 N ASP A 126 -6.734 -8.735 -12.031 1.00 0.00 N ATOM 1470 CA ASP A 126 -6.622 -10.043 -12.685 1.00 0.00 C ATOM 1471 C ASP A 126 -6.218 -11.120 -11.676 1.00 0.00 C ATOM 1472 O ASP A 126 -7.018 -11.992 -11.328 1.00 0.00 O ATOM 1473 CB ASP A 126 -5.601 -9.997 -13.836 1.00 0.00 C ATOM 1474 CG ASP A 126 -6.045 -9.108 -14.990 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -5.806 -7.884 -14.928 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -6.629 -9.628 -15.966 1.00 0.00 O ATOM 0 H ASP A 126 -6.097 -8.030 -12.403 1.00 0.00 H new ATOM 0 HA ASP A 126 -7.600 -10.293 -13.096 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -4.646 -9.636 -13.453 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -5.434 -11.008 -14.207 1.00 0.00 H new ATOM 1481 N ARG A 127 -4.978 -11.038 -11.186 1.00 0.00 N ATOM 1482 CA ARG A 127 -4.465 -11.998 -10.201 1.00 0.00 C ATOM 1483 C ARG A 127 -5.084 -11.770 -8.817 1.00 0.00 C ATOM 1484 O ARG A 127 -4.703 -12.433 -7.850 1.00 0.00 O ATOM 1485 CB ARG A 127 -2.932 -11.917 -10.109 1.00 0.00 C ATOM 1486 CG ARG A 127 -2.222 -12.161 -11.439 1.00 0.00 C ATOM 1487 CD ARG A 127 -0.704 -12.207 -11.287 1.00 0.00 C ATOM 1488 NE ARG A 127 -0.030 -12.155 -12.588 1.00 0.00 N ATOM 1489 CZ ARG A 127 1.257 -12.455 -12.793 1.00 0.00 C ATOM 1490 NH1 ARG A 127 2.002 -12.963 -11.814 1.00 0.00 N ATOM 1491 NH2 ARG A 127 1.788 -12.277 -13.997 1.00 0.00 N ATOM 0 H ARG A 127 -4.309 -10.316 -11.455 1.00 0.00 H new ATOM 0 HA ARG A 127 -4.749 -12.994 -10.541 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -2.651 -10.933 -9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -2.582 -12.649 -9.381 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -2.570 -13.101 -11.867 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -2.491 -11.372 -12.141 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -0.374 -11.370 -10.672 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -0.417 -13.120 -10.764 1.00 0.00 H new ATOM 0 HE ARG A 127 -0.583 -11.869 -13.396 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.592 -13.128 -10.894 1.00 0.00 H new ATOM 0 HH12 ARG A 127 2.982 -13.188 -11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 127 1.215 -11.914 -14.758 1.00 0.00 H new ATOM 0 HH22 ARG A 127 2.769 -12.504 -14.160 1.00 0.00 H new ATOM 1505 N CYS A 128 -6.040 -10.833 -8.744 1.00 0.00 N ATOM 1506 CA CYS A 128 -6.756 -10.508 -7.507 1.00 0.00 C ATOM 1507 C CYS A 128 -5.853 -9.768 -6.517 1.00 0.00 C ATOM 1508 O CYS A 128 -4.635 -9.954 -6.512 1.00 0.00 O ATOM 1509 CB CYS A 128 -7.339 -11.776 -6.867 1.00 0.00 C ATOM 1510 SG CYS A 128 -8.397 -12.731 -7.981 1.00 0.00 S ATOM 0 H CYS A 128 -6.338 -10.278 -9.546 1.00 0.00 H new ATOM 0 HA CYS A 128 -7.580 -9.843 -7.766 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -6.520 -12.409 -6.525 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -7.915 -11.496 -5.985 1.00 0.00 H new ATOM 0 HG CYS A 128 -8.843 -13.783 -7.361 1.00 0.00 H new ATOM 1516 N ALA A 129 -6.462 -8.905 -5.705 1.00 0.00 N ATOM 1517 CA ALA A 129 -5.738 -8.142 -4.693 1.00 0.00 C ATOM 1518 C ALA A 129 -6.716 -7.411 -3.777 1.00 0.00 C ATOM 1519 O ALA A 129 -7.304 -6.399 -4.161 1.00 0.00 O ATOM 1520 CB ALA A 129 -4.785 -7.152 -5.354 1.00 0.00 C ATOM 0 H ALA A 129 -7.464 -8.717 -5.730 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.152 -8.835 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.253 -6.591 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -4.067 -7.694 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -5.353 -6.463 -5.979 1.00 0.00 H new ATOM 1526 N GLU A 130 -6.905 -7.930 -2.568 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.831 -7.322 -1.620 1.00 0.00 C ATOM 1528 C GLU A 130 -7.105 -6.310 -0.737 1.00 0.00 C ATOM 1529 O GLU A 130 -6.045 -6.597 -0.169 1.00 0.00 O ATOM 1530 CB GLU A 130 -8.532 -8.394 -0.775 1.00 0.00 C ATOM 1531 CG GLU A 130 -9.391 -9.347 -1.605 1.00 0.00 C ATOM 1532 CD GLU A 130 -10.358 -10.160 -0.762 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -11.431 -9.627 -0.399 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -10.062 -11.337 -0.460 1.00 0.00 O ATOM 0 H GLU A 130 -6.432 -8.765 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.599 -6.790 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.781 -8.970 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -9.159 -7.907 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.953 -8.773 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.741 -10.025 -2.158 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.690 -5.122 -0.631 1.00 0.00 N ATOM 1542 CA VAL A 131 -7.067 -3.995 0.054 1.00 0.00 C ATOM 1543 C VAL A 131 -7.474 -3.942 1.528 1.00 0.00 C ATOM 1544 O VAL A 131 -8.607 -4.274 1.887 1.00 0.00 O ATOM 1545 CB VAL A 131 -7.460 -2.660 -0.628 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -6.746 -1.477 0.021 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -7.174 -2.714 -2.127 1.00 0.00 C ATOM 0 H VAL A 131 -8.610 -4.913 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.988 -4.136 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.532 -2.516 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.042 -0.555 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -7.018 -1.422 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.668 -1.609 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.457 -1.767 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.111 -2.892 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.750 -3.522 -2.578 1.00 0.00 H new ATOM 1557 N THR A 132 -6.536 -3.532 2.376 1.00 0.00 N ATOM 1558 CA THR A 132 -6.806 -3.286 3.788 1.00 0.00 C ATOM 1559 C THR A 132 -6.374 -1.861 4.137 1.00 0.00 C ATOM 1560 O THR A 132 -5.304 -1.412 3.715 1.00 0.00 O ATOM 1561 CB THR A 132 -6.055 -4.303 4.681 1.00 0.00 C ATOM 1562 OG1 THR A 132 -6.455 -5.636 4.328 1.00 0.00 O ATOM 1563 CG2 THR A 132 -6.334 -4.059 6.164 1.00 0.00 C ATOM 0 H THR A 132 -5.568 -3.361 2.104 1.00 0.00 H new ATOM 0 HA THR A 132 -7.874 -3.405 3.971 1.00 0.00 H new ATOM 0 HB THR A 132 -4.985 -4.177 4.514 1.00 0.00 H new ATOM 0 HG1 THR A 132 -5.979 -6.281 4.892 1.00 0.00 H new ATOM 0 HG21 THR A 132 -5.791 -4.791 6.762 1.00 0.00 H new ATOM 0 HG22 THR A 132 -6.008 -3.055 6.435 1.00 0.00 H new ATOM 0 HG23 THR A 132 -7.403 -4.157 6.354 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.207 -1.147 4.892 1.00 0.00 N ATOM 1572 CA LEU A 133 -6.959 0.260 5.202 1.00 0.00 C ATOM 1573 C LEU A 133 -6.282 0.398 6.562 1.00 0.00 C ATOM 1574 O LEU A 133 -6.781 -0.117 7.566 1.00 0.00 O ATOM 1575 CB LEU A 133 -8.280 1.045 5.193 1.00 0.00 C ATOM 1576 CG LEU A 133 -9.057 1.024 3.863 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -10.373 1.789 3.991 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -8.206 1.597 2.732 1.00 0.00 C ATOM 0 H LEU A 133 -8.063 -1.521 5.302 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.296 0.669 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.925 0.646 5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.068 2.082 5.453 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.290 -0.013 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.904 1.761 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.988 1.328 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.167 2.825 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -8.773 1.573 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.936 2.627 2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.300 1.001 2.620 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.145 1.086 6.589 1.00 0.00 N ATOM 1591 CA GLU A 134 -4.417 1.335 7.830 1.00 0.00 C ATOM 1592 C GLU A 134 -4.823 2.702 8.385 1.00 0.00 C ATOM 1593 O GLU A 134 -5.151 3.617 7.622 1.00 0.00 O ATOM 1594 CB GLU A 134 -2.896 1.282 7.572 1.00 0.00 C ATOM 1595 CG GLU A 134 -2.080 0.645 8.699 1.00 0.00 C ATOM 1596 CD GLU A 134 -2.191 1.379 10.026 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -1.485 2.391 10.212 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -2.980 0.938 10.894 1.00 0.00 O ATOM 0 H GLU A 134 -4.705 1.484 5.759 1.00 0.00 H new ATOM 0 HA GLU A 134 -4.664 0.566 8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -2.716 0.726 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -2.533 2.297 7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -2.409 -0.385 8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -1.032 0.609 8.401 1.00 0.00 H new