USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 786 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 78 THR OG1 : rot 132:sc= -1.58! USER MOD Set 1.2: A 80 SER OG : rot -109:sc= -2.6 USER MOD Set 2.1: A 38 MET CE :methyl -146:sc= -1.57 (180deg=-0.143) USER MOD Set 2.2: A 42 GLN : amide:sc= -9.71! C(o=-11!,f=-20!) USER MOD Set 3.1: A 27 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.075) USER MOD Set 3.2: A 105 MET CE :methyl 161:sc= 0 (180deg=0) USER MOD Set 4.1: A 1 SER OG : rot 50:sc= -0.152 USER MOD Set 4.2: A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -120:sc= 0.224 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -5.32! C(o=-5.3!,f=-9.3!) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -3.01! X(o=-3!,f=-3) USER MOD Single : A 23 THR OG1 : rot -56:sc= 0.304 USER MOD Single : A 28 LYS NZ :NH3+ -117:sc= -0.207 (180deg=-0.367) USER MOD Single : A 31 GLN :FLIP amide:sc= -2.03 F(o=-5.7!,f=-2) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 33 SER OG : rot -39:sc= -3.38! USER MOD Single : A 36 SER OG : rot -35:sc= 0.542 USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= -0.0371 (180deg=-0.255) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.136) USER MOD Single : A 52 ASN : amide:sc= -0.754! K(o=-0.75!,f=-1.9) USER MOD Single : A 54 GLN :FLIP amide:sc= -5.68 F(o=-9.9!,f=-5.7) USER MOD Single : A 55 SER OG : rot 180:sc= -0.235 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= -0.209 (180deg=-0.404) USER MOD Single : A 65 TYR OH : rot 140:sc= 0.566 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -146:sc= -0.163 (180deg=-0.783) USER MOD Single : A 71 GLN :FLIP amide:sc= -5.91! C(o=-8.1!,f=-5.9!) USER MOD Single : A 72 SER OG : rot 63:sc= 0.13 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -44:sc= -2.51 USER MOD Single : A 86 MET CE :methyl 179:sc= -2.72 (180deg=-2.8) USER MOD Single : A 91 ASN :FLIP amide:sc= -4.2! C(o=-5.9!,f=-4.2!) USER MOD Single : A 96 LYS NZ :NH3+ 152:sc= 0.302 (180deg=-2.83!) USER MOD Single : A 103 GLN : amide:sc= -4.59! C(o=-4.6!,f=-12!) USER MOD Single : A 107 HIS : no HD1:sc= -0.0987 X(o=-0.099,f=-0.003) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.341 -2.581 -11.708 1.00 0.00 N ATOM 2 CA SER A 1 3.714 -3.393 -10.634 1.00 0.00 C ATOM 3 C SER A 1 4.552 -3.352 -9.361 1.00 0.00 C ATOM 4 O SER A 1 5.533 -2.614 -9.278 1.00 0.00 O ATOM 5 CB SER A 1 3.547 -4.840 -11.099 1.00 0.00 C ATOM 6 OG SER A 1 2.948 -5.635 -10.090 1.00 0.00 O ATOM 0 H1 SER A 1 3.687 -1.826 -11.999 1.00 0.00 H new ATOM 0 H2 SER A 1 5.223 -2.158 -11.354 1.00 0.00 H new ATOM 0 H3 SER A 1 4.552 -3.189 -12.525 1.00 0.00 H new ATOM 0 HA SER A 1 2.734 -2.969 -10.416 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.934 -4.867 -12.000 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.520 -5.255 -11.363 1.00 0.00 H new ATOM 0 HG SER A 1 2.143 -5.187 -9.756 1.00 0.00 H new ATOM 14 N ILE A 2 4.162 -4.147 -8.372 1.00 0.00 N ATOM 15 CA ILE A 2 4.883 -4.197 -7.106 1.00 0.00 C ATOM 16 C ILE A 2 6.068 -5.158 -7.198 1.00 0.00 C ATOM 17 O ILE A 2 7.139 -4.906 -6.644 1.00 0.00 O ATOM 18 CB ILE A 2 3.930 -4.587 -5.942 1.00 0.00 C ATOM 19 CG1 ILE A 2 4.270 -3.770 -4.698 1.00 0.00 C ATOM 20 CG2 ILE A 2 3.953 -6.082 -5.634 1.00 0.00 C ATOM 21 CD1 ILE A 2 3.471 -4.157 -3.485 1.00 0.00 C ATOM 0 H ILE A 2 3.352 -4.765 -8.422 1.00 0.00 H new ATOM 0 HA ILE A 2 5.274 -3.202 -6.895 1.00 0.00 H new ATOM 0 HB ILE A 2 2.914 -4.356 -6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.331 -3.887 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.103 -2.714 -4.911 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.268 -6.295 -4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.644 -6.640 -6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.963 -6.380 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.767 -3.534 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.410 -4.013 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.656 -5.204 -3.246 1.00 0.00 H new ATOM 33 N THR A 3 5.857 -6.259 -7.910 1.00 0.00 N ATOM 34 CA THR A 3 6.889 -7.267 -8.102 1.00 0.00 C ATOM 35 C THR A 3 8.085 -6.712 -8.879 1.00 0.00 C ATOM 36 O THR A 3 9.118 -7.373 -8.976 1.00 0.00 O ATOM 37 CB THR A 3 6.337 -8.491 -8.854 1.00 0.00 C ATOM 38 OG1 THR A 3 5.825 -8.092 -10.131 1.00 0.00 O ATOM 39 CG2 THR A 3 5.238 -9.165 -8.050 1.00 0.00 C ATOM 0 H THR A 3 4.971 -6.476 -8.367 1.00 0.00 H new ATOM 0 HA THR A 3 7.219 -7.566 -7.107 1.00 0.00 H new ATOM 0 HB THR A 3 7.151 -9.202 -8.996 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.477 -8.877 -10.604 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.862 -10.028 -8.600 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.638 -9.493 -7.090 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.425 -8.459 -7.882 1.00 0.00 H new ATOM 47 N ASP A 4 7.941 -5.501 -9.444 1.00 0.00 N ATOM 48 CA ASP A 4 9.031 -4.861 -10.192 1.00 0.00 C ATOM 49 C ASP A 4 10.366 -5.093 -9.482 1.00 0.00 C ATOM 50 O ASP A 4 11.291 -5.665 -10.056 1.00 0.00 O ATOM 51 CB ASP A 4 8.765 -3.364 -10.353 1.00 0.00 C ATOM 52 CG ASP A 4 9.690 -2.721 -11.369 1.00 0.00 C ATOM 53 OD1 ASP A 4 10.917 -2.722 -11.141 1.00 0.00 O ATOM 54 OD2 ASP A 4 9.186 -2.223 -12.398 1.00 0.00 O ATOM 0 H ASP A 4 7.084 -4.950 -9.396 1.00 0.00 H new ATOM 0 HA ASP A 4 9.081 -5.309 -11.185 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.730 -3.212 -10.660 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.888 -2.870 -9.389 1.00 0.00 H new ATOM 59 N ILE A 5 10.457 -4.644 -8.230 1.00 0.00 N ATOM 60 CA ILE A 5 11.656 -4.877 -7.436 1.00 0.00 C ATOM 61 C ILE A 5 11.254 -5.374 -6.053 1.00 0.00 C ATOM 62 O ILE A 5 10.985 -4.586 -5.148 1.00 0.00 O ATOM 63 CB ILE A 5 12.484 -3.590 -7.272 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.608 -2.860 -8.602 1.00 0.00 C ATOM 65 CG2 ILE A 5 13.857 -3.901 -6.698 1.00 0.00 C ATOM 66 CD1 ILE A 5 11.615 -1.728 -8.768 1.00 0.00 C ATOM 0 H ILE A 5 9.722 -4.123 -7.751 1.00 0.00 H new ATOM 0 HA ILE A 5 12.263 -5.618 -7.955 1.00 0.00 H new ATOM 0 HB ILE A 5 11.964 -2.937 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.619 -2.462 -8.696 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.470 -3.575 -9.413 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.424 -2.977 -6.591 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.745 -4.373 -5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.387 -4.577 -7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 5 11.762 -1.254 -9.738 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.601 -2.122 -8.707 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.767 -0.992 -7.978 1.00 0.00 H new ATOM 78 N LEU A 6 11.224 -6.690 -5.905 1.00 0.00 N ATOM 79 CA LEU A 6 10.863 -7.303 -4.634 1.00 0.00 C ATOM 80 C LEU A 6 11.030 -8.813 -4.648 1.00 0.00 C ATOM 81 O LEU A 6 11.184 -9.429 -5.702 1.00 0.00 O ATOM 82 CB LEU A 6 9.421 -6.953 -4.273 1.00 0.00 C ATOM 83 CG LEU A 6 9.249 -6.221 -2.946 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.823 -4.783 -3.182 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.242 -6.937 -2.062 1.00 0.00 C ATOM 0 H LEU A 6 11.445 -7.354 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 6 11.545 -6.903 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.003 -6.336 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.836 -7.872 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 6 10.210 -6.216 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.705 -4.277 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.583 -4.271 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.875 -4.768 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.135 -6.397 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.278 -6.978 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.590 -7.950 -1.862 1.00 0.00 H new ATOM 97 N SER A 7 10.999 -9.398 -3.457 1.00 0.00 N ATOM 98 CA SER A 7 11.058 -10.842 -3.315 1.00 0.00 C ATOM 99 C SER A 7 9.643 -11.372 -3.501 1.00 0.00 C ATOM 100 O SER A 7 8.762 -11.106 -2.683 1.00 0.00 O ATOM 101 CB SER A 7 11.594 -11.234 -1.940 1.00 0.00 C ATOM 102 OG SER A 7 12.913 -10.753 -1.747 1.00 0.00 O ATOM 0 H SER A 7 10.933 -8.890 -2.575 1.00 0.00 H new ATOM 0 HA SER A 7 11.733 -11.267 -4.057 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.941 -10.833 -1.165 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.581 -12.319 -1.838 1.00 0.00 H new ATOM 0 HG SER A 7 13.231 -11.017 -0.858 1.00 0.00 H new ATOM 108 N ALA A 8 9.425 -12.120 -4.568 1.00 0.00 N ATOM 109 CA ALA A 8 8.093 -12.622 -4.877 1.00 0.00 C ATOM 110 C ALA A 8 7.526 -13.510 -3.772 1.00 0.00 C ATOM 111 O ALA A 8 6.374 -13.343 -3.376 1.00 0.00 O ATOM 112 CB ALA A 8 8.104 -13.350 -6.208 1.00 0.00 C ATOM 0 H ALA A 8 10.148 -12.394 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 8 7.431 -11.759 -4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.103 -13.721 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.418 -12.665 -6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.799 -14.189 -6.158 1.00 0.00 H new ATOM 118 N GLU A 9 8.318 -14.464 -3.281 1.00 0.00 N ATOM 119 CA GLU A 9 7.840 -15.369 -2.238 1.00 0.00 C ATOM 120 C GLU A 9 7.551 -14.616 -0.949 1.00 0.00 C ATOM 121 O GLU A 9 6.458 -14.714 -0.391 1.00 0.00 O ATOM 122 CB GLU A 9 8.887 -16.448 -1.975 1.00 0.00 C ATOM 123 CG GLU A 9 9.141 -17.341 -3.169 1.00 0.00 C ATOM 124 CD GLU A 9 10.275 -18.322 -2.936 1.00 0.00 C ATOM 125 OE1 GLU A 9 11.436 -17.969 -3.231 1.00 0.00 O ATOM 126 OE2 GLU A 9 10.001 -19.442 -2.456 1.00 0.00 O ATOM 0 H GLU A 9 9.278 -14.628 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 9 6.913 -15.828 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.822 -15.972 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.563 -17.061 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.231 -17.893 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.373 -16.723 -4.037 1.00 0.00 H new ATOM 133 N ASP A 10 8.538 -13.863 -0.480 1.00 0.00 N ATOM 134 CA ASP A 10 8.368 -13.069 0.729 1.00 0.00 C ATOM 135 C ASP A 10 7.138 -12.204 0.631 1.00 0.00 C ATOM 136 O ASP A 10 6.507 -11.910 1.636 1.00 0.00 O ATOM 137 CB ASP A 10 9.605 -12.212 0.981 1.00 0.00 C ATOM 138 CG ASP A 10 10.815 -13.040 1.366 1.00 0.00 C ATOM 139 OD1 ASP A 10 11.009 -13.282 2.577 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.569 -13.448 0.458 1.00 0.00 O ATOM 0 H ASP A 10 9.457 -13.786 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 10 8.240 -13.750 1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.833 -11.636 0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.391 -11.496 1.774 1.00 0.00 H new ATOM 145 N ILE A 11 6.781 -11.827 -0.576 1.00 0.00 N ATOM 146 CA ILE A 11 5.609 -11.003 -0.785 1.00 0.00 C ATOM 147 C ILE A 11 4.361 -11.778 -0.366 1.00 0.00 C ATOM 148 O ILE A 11 3.526 -11.278 0.387 1.00 0.00 O ATOM 149 CB ILE A 11 5.543 -10.557 -2.272 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.163 -9.172 -2.440 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.149 -10.603 -2.860 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.190 -8.721 -3.878 1.00 0.00 C ATOM 0 H ILE A 11 7.284 -12.077 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 11 5.666 -10.104 -0.172 1.00 0.00 H new ATOM 0 HB ILE A 11 6.126 -11.284 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.600 -8.451 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.180 -9.183 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.182 -10.278 -3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.767 -11.622 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.493 -9.941 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.641 -7.730 -3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.777 -9.424 -4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.172 -8.682 -4.266 1.00 0.00 H new ATOM 164 N ALA A 12 4.247 -13.004 -0.865 1.00 0.00 N ATOM 165 CA ALA A 12 3.104 -13.840 -0.545 1.00 0.00 C ATOM 166 C ALA A 12 3.007 -14.031 0.946 1.00 0.00 C ATOM 167 O ALA A 12 1.965 -13.794 1.527 1.00 0.00 O ATOM 168 CB ALA A 12 3.206 -15.182 -1.239 1.00 0.00 C ATOM 0 H ALA A 12 4.929 -13.436 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 12 2.202 -13.341 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.338 -15.790 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.239 -15.032 -2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.114 -15.691 -0.915 1.00 0.00 H new ATOM 174 N ALA A 13 4.097 -14.451 1.567 1.00 0.00 N ATOM 175 CA ALA A 13 4.100 -14.637 3.009 1.00 0.00 C ATOM 176 C ALA A 13 3.861 -13.302 3.695 1.00 0.00 C ATOM 177 O ALA A 13 2.976 -13.161 4.539 1.00 0.00 O ATOM 178 CB ALA A 13 5.416 -15.243 3.468 1.00 0.00 C ATOM 0 H ALA A 13 4.980 -14.667 1.104 1.00 0.00 H new ATOM 0 HA ALA A 13 3.299 -15.325 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.398 -15.374 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.558 -16.211 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.237 -14.579 3.196 1.00 0.00 H new ATOM 184 N ALA A 14 4.674 -12.324 3.307 1.00 0.00 N ATOM 185 CA ALA A 14 4.563 -10.975 3.852 1.00 0.00 C ATOM 186 C ALA A 14 3.114 -10.512 3.827 1.00 0.00 C ATOM 187 O ALA A 14 2.614 -9.951 4.803 1.00 0.00 O ATOM 188 CB ALA A 14 5.430 -10.000 3.063 1.00 0.00 C ATOM 0 H ALA A 14 5.417 -12.440 2.618 1.00 0.00 H new ATOM 0 HA ALA A 14 4.913 -10.997 4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.332 -9.001 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.472 -10.315 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.107 -9.986 2.022 1.00 0.00 H new ATOM 194 N LEU A 15 2.444 -10.748 2.710 1.00 0.00 N ATOM 195 CA LEU A 15 1.050 -10.367 2.573 1.00 0.00 C ATOM 196 C LEU A 15 0.145 -11.362 3.291 1.00 0.00 C ATOM 197 O LEU A 15 -0.605 -10.996 4.187 1.00 0.00 O ATOM 198 CB LEU A 15 0.660 -10.277 1.096 1.00 0.00 C ATOM 199 CG LEU A 15 -0.593 -9.436 0.791 1.00 0.00 C ATOM 200 CD1 LEU A 15 -1.117 -9.744 -0.605 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.681 -9.659 1.830 1.00 0.00 C ATOM 0 H LEU A 15 2.843 -11.201 1.888 1.00 0.00 H new ATOM 0 HA LEU A 15 0.922 -9.386 3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.500 -9.859 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.499 -11.287 0.719 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.305 -8.386 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.003 -9.140 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.348 -9.512 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.376 -10.801 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.550 -9.050 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.966 -10.711 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.308 -9.376 2.814 1.00 0.00 H new ATOM 213 N GLN A 16 0.268 -12.635 2.916 1.00 0.00 N ATOM 214 CA GLN A 16 -0.559 -13.722 3.440 1.00 0.00 C ATOM 215 C GLN A 16 -0.333 -14.022 4.920 1.00 0.00 C ATOM 216 O GLN A 16 -1.029 -14.866 5.485 1.00 0.00 O ATOM 217 CB GLN A 16 -0.241 -14.998 2.659 1.00 0.00 C ATOM 218 CG GLN A 16 -0.720 -15.010 1.214 1.00 0.00 C ATOM 219 CD GLN A 16 -0.900 -13.638 0.595 1.00 0.00 C ATOM 220 OE1 GLN A 16 -0.028 -13.154 -0.124 1.00 0.00 O ATOM 221 NE2 GLN A 16 -2.038 -13.010 0.872 1.00 0.00 N ATOM 0 H GLN A 16 0.955 -12.945 2.229 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.594 -13.399 3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.838 -15.151 2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.688 -15.845 3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.006 -15.574 0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.669 -15.543 1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.732 -13.453 1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.218 -12.085 0.482 1.00 0.00 H new ATOM 230 N GLU A 17 0.618 -13.357 5.558 1.00 0.00 N ATOM 231 CA GLU A 17 0.924 -13.683 6.944 1.00 0.00 C ATOM 232 C GLU A 17 -0.261 -13.449 7.876 1.00 0.00 C ATOM 233 O GLU A 17 -0.911 -14.395 8.320 1.00 0.00 O ATOM 234 CB GLU A 17 2.136 -12.850 7.403 1.00 0.00 C ATOM 235 CG GLU A 17 2.282 -12.701 8.910 1.00 0.00 C ATOM 236 CD GLU A 17 3.576 -12.018 9.303 1.00 0.00 C ATOM 237 OE1 GLU A 17 4.630 -12.689 9.287 1.00 0.00 O ATOM 238 OE2 GLU A 17 3.536 -10.813 9.628 1.00 0.00 O ATOM 0 H GLU A 17 1.179 -12.608 5.153 1.00 0.00 H new ATOM 0 HA GLU A 17 1.156 -14.747 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.043 -13.309 7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.063 -11.857 6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.440 -12.128 9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.239 -13.686 9.375 1.00 0.00 H new ATOM 245 N CYS A 18 -0.534 -12.192 8.162 1.00 0.00 N ATOM 246 CA CYS A 18 -1.614 -11.801 9.053 1.00 0.00 C ATOM 247 C CYS A 18 -2.790 -11.175 8.326 1.00 0.00 C ATOM 248 O CYS A 18 -3.756 -10.791 8.971 1.00 0.00 O ATOM 249 CB CYS A 18 -1.083 -10.817 10.081 1.00 0.00 C ATOM 250 SG CYS A 18 -0.454 -11.582 11.593 1.00 0.00 S ATOM 0 H CYS A 18 -0.010 -11.405 7.781 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.979 -12.710 9.530 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.285 -10.231 9.626 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.879 -10.121 10.345 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.024 -10.658 12.400 1.00 0.00 H new ATOM 256 N GLN A 19 -2.742 -11.131 6.996 1.00 0.00 N ATOM 257 CA GLN A 19 -3.750 -10.398 6.219 1.00 0.00 C ATOM 258 C GLN A 19 -5.167 -10.601 6.743 1.00 0.00 C ATOM 259 O GLN A 19 -5.558 -11.697 7.141 1.00 0.00 O ATOM 260 CB GLN A 19 -3.701 -10.846 4.757 1.00 0.00 C ATOM 261 CG GLN A 19 -4.446 -9.930 3.802 1.00 0.00 C ATOM 262 CD GLN A 19 -4.651 -10.546 2.429 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.810 -11.759 2.300 1.00 0.00 O ATOM 264 NE2 GLN A 19 -4.639 -9.710 1.391 1.00 0.00 N ATOM 0 H GLN A 19 -2.024 -11.589 6.434 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.508 -9.339 6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.659 -10.911 4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.120 -11.850 4.682 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.416 -9.679 4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.893 -8.997 3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.504 -8.710 1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.765 -10.070 0.445 1.00 0.00 H new ATOM 273 N ASP A 20 -5.922 -9.497 6.709 1.00 0.00 N ATOM 274 CA ASP A 20 -7.299 -9.455 7.182 1.00 0.00 C ATOM 275 C ASP A 20 -7.742 -8.003 7.299 1.00 0.00 C ATOM 276 O ASP A 20 -6.944 -7.137 7.650 1.00 0.00 O ATOM 277 CB ASP A 20 -7.434 -10.147 8.542 1.00 0.00 C ATOM 278 CG ASP A 20 -8.828 -10.042 9.129 1.00 0.00 C ATOM 279 OD1 ASP A 20 -9.660 -10.927 8.845 1.00 0.00 O ATOM 280 OD2 ASP A 20 -9.087 -9.073 9.875 1.00 0.00 O ATOM 0 H ASP A 20 -5.586 -8.604 6.349 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.931 -9.983 6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.170 -11.199 8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.719 -9.708 9.238 1.00 0.00 H new ATOM 285 N PRO A 21 -9.007 -7.709 7.000 1.00 0.00 N ATOM 286 CA PRO A 21 -9.537 -6.354 7.103 1.00 0.00 C ATOM 287 C PRO A 21 -9.487 -5.842 8.534 1.00 0.00 C ATOM 288 O PRO A 21 -10.509 -5.781 9.215 1.00 0.00 O ATOM 289 CB PRO A 21 -10.974 -6.505 6.628 1.00 0.00 C ATOM 290 CG PRO A 21 -11.298 -7.940 6.814 1.00 0.00 C ATOM 291 CD PRO A 21 -10.022 -8.661 6.541 1.00 0.00 C ATOM 0 HA PRO A 21 -8.964 -5.632 6.520 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.648 -5.872 7.205 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.076 -6.211 5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.654 -8.137 7.825 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.086 -8.259 6.131 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.966 -9.605 7.084 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.908 -8.895 5.483 1.00 0.00 H new ATOM 299 N ASP A 22 -8.277 -5.459 8.966 1.00 0.00 N ATOM 300 CA ASP A 22 -8.027 -4.971 10.331 1.00 0.00 C ATOM 301 C ASP A 22 -6.552 -5.162 10.723 1.00 0.00 C ATOM 302 O ASP A 22 -6.074 -4.545 11.674 1.00 0.00 O ATOM 303 CB ASP A 22 -8.938 -5.693 11.333 1.00 0.00 C ATOM 304 CG ASP A 22 -8.490 -5.568 12.781 1.00 0.00 C ATOM 305 OD1 ASP A 22 -8.917 -4.606 13.454 1.00 0.00 O ATOM 306 OD2 ASP A 22 -7.714 -6.432 13.240 1.00 0.00 O ATOM 0 H ASP A 22 -7.443 -5.479 8.379 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.252 -3.905 10.354 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.949 -5.295 11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.986 -6.749 11.069 1.00 0.00 H new ATOM 311 N THR A 23 -5.837 -6.016 9.988 1.00 0.00 N ATOM 312 CA THR A 23 -4.430 -6.288 10.269 1.00 0.00 C ATOM 313 C THR A 23 -3.505 -5.558 9.298 1.00 0.00 C ATOM 314 O THR A 23 -2.353 -5.952 9.128 1.00 0.00 O ATOM 315 CB THR A 23 -4.140 -7.788 10.159 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.781 -8.058 10.526 1.00 0.00 O ATOM 317 CG2 THR A 23 -4.392 -8.258 8.738 1.00 0.00 C ATOM 0 H THR A 23 -6.213 -6.531 9.192 1.00 0.00 H new ATOM 0 HA THR A 23 -4.241 -5.934 11.282 1.00 0.00 H new ATOM 0 HB THR A 23 -4.802 -8.325 10.838 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.179 -7.527 9.964 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.184 -9.326 8.666 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.433 -8.072 8.472 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.740 -7.714 8.054 1.00 0.00 H new ATOM 325 N PHE A 24 -4.020 -4.501 8.666 1.00 0.00 N ATOM 326 CA PHE A 24 -3.247 -3.706 7.706 1.00 0.00 C ATOM 327 C PHE A 24 -2.333 -4.614 6.852 1.00 0.00 C ATOM 328 O PHE A 24 -1.221 -4.979 7.235 1.00 0.00 O ATOM 329 CB PHE A 24 -2.461 -2.610 8.467 1.00 0.00 C ATOM 330 CG PHE A 24 -1.088 -2.999 8.947 1.00 0.00 C ATOM 331 CD1 PHE A 24 -0.930 -3.887 9.999 1.00 0.00 C ATOM 332 CD2 PHE A 24 0.045 -2.468 8.345 1.00 0.00 C ATOM 333 CE1 PHE A 24 0.330 -4.241 10.442 1.00 0.00 C ATOM 334 CE2 PHE A 24 1.308 -2.821 8.787 1.00 0.00 C ATOM 335 CZ PHE A 24 1.449 -3.708 9.835 1.00 0.00 C ATOM 0 H PHE A 24 -4.976 -4.173 8.803 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.920 -3.209 7.007 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.365 -1.741 7.816 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.051 -2.299 9.329 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.802 -4.307 10.478 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.060 -1.773 7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.439 -4.934 11.263 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.183 -2.403 8.312 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.434 -3.985 10.180 1.00 0.00 H new ATOM 345 N GLU A 25 -2.857 -4.964 5.678 1.00 0.00 N ATOM 346 CA GLU A 25 -2.214 -5.895 4.743 1.00 0.00 C ATOM 347 C GLU A 25 -1.153 -5.302 3.806 1.00 0.00 C ATOM 348 O GLU A 25 -0.068 -5.867 3.663 1.00 0.00 O ATOM 349 CB GLU A 25 -3.300 -6.512 3.868 1.00 0.00 C ATOM 350 CG GLU A 25 -4.546 -6.908 4.629 1.00 0.00 C ATOM 351 CD GLU A 25 -5.688 -7.305 3.713 1.00 0.00 C ATOM 352 OE1 GLU A 25 -5.603 -7.017 2.500 1.00 0.00 O ATOM 353 OE2 GLU A 25 -6.666 -7.904 4.208 1.00 0.00 O ATOM 0 H GLU A 25 -3.751 -4.606 5.342 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.684 -6.607 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.573 -5.801 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.895 -7.393 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.312 -7.740 5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.862 -6.076 5.258 1.00 0.00 H new ATOM 360 N PRO A 26 -1.442 -4.167 3.157 1.00 0.00 N ATOM 361 CA PRO A 26 -0.540 -3.583 2.157 1.00 0.00 C ATOM 362 C PRO A 26 0.839 -3.220 2.688 1.00 0.00 C ATOM 363 O PRO A 26 1.851 -3.703 2.182 1.00 0.00 O ATOM 364 CB PRO A 26 -1.272 -2.333 1.668 1.00 0.00 C ATOM 365 CG PRO A 26 -2.329 -2.056 2.669 1.00 0.00 C ATOM 366 CD PRO A 26 -2.632 -3.344 3.385 1.00 0.00 C ATOM 0 HA PRO A 26 -0.333 -4.310 1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.587 -1.490 1.581 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.704 -2.496 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.997 -1.295 3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.224 -1.670 2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.804 -3.178 4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.528 -3.820 2.987 1.00 0.00 H new ATOM 374 N GLN A 27 0.879 -2.375 3.699 1.00 0.00 N ATOM 375 CA GLN A 27 2.126 -1.939 4.274 1.00 0.00 C ATOM 376 C GLN A 27 2.978 -3.136 4.709 1.00 0.00 C ATOM 377 O GLN A 27 4.208 -3.073 4.697 1.00 0.00 O ATOM 378 CB GLN A 27 1.789 -1.004 5.432 1.00 0.00 C ATOM 379 CG GLN A 27 2.835 -0.908 6.508 1.00 0.00 C ATOM 380 CD GLN A 27 4.013 -0.046 6.111 1.00 0.00 C ATOM 381 OE1 GLN A 27 4.994 -0.529 5.545 1.00 0.00 O ATOM 382 NE2 GLN A 27 3.918 1.243 6.411 1.00 0.00 N ATOM 0 H GLN A 27 0.050 -1.976 4.140 1.00 0.00 H new ATOM 0 HA GLN A 27 2.730 -1.403 3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.611 -0.006 5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.855 -1.336 5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.382 -0.501 7.412 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.190 -1.909 6.752 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.085 1.597 6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.678 1.880 6.172 1.00 0.00 H new ATOM 391 N LYS A 28 2.317 -4.222 5.091 1.00 0.00 N ATOM 392 CA LYS A 28 2.995 -5.424 5.513 1.00 0.00 C ATOM 393 C LYS A 28 3.641 -6.098 4.310 1.00 0.00 C ATOM 394 O LYS A 28 4.798 -6.515 4.353 1.00 0.00 O ATOM 395 CB LYS A 28 1.984 -6.351 6.165 1.00 0.00 C ATOM 396 CG LYS A 28 1.674 -6.008 7.610 1.00 0.00 C ATOM 397 CD LYS A 28 2.368 -6.958 8.572 1.00 0.00 C ATOM 398 CE LYS A 28 3.880 -6.840 8.480 1.00 0.00 C ATOM 399 NZ LYS A 28 4.354 -5.481 8.860 1.00 0.00 N ATOM 0 H LYS A 28 1.299 -4.286 5.114 1.00 0.00 H new ATOM 0 HA LYS A 28 3.778 -5.182 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.059 -6.325 5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.360 -7.373 6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.989 -4.985 7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.597 -6.049 7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.047 -6.744 9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.068 -7.983 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.342 -7.581 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.201 -7.065 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.814 -5.033 8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.544 -4.903 9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.035 -5.557 9.642 1.00 0.00 H new ATOM 413 N PHE A 29 2.868 -6.192 3.237 1.00 0.00 N ATOM 414 CA PHE A 29 3.327 -6.782 1.989 1.00 0.00 C ATOM 415 C PHE A 29 4.631 -6.135 1.562 1.00 0.00 C ATOM 416 O PHE A 29 5.611 -6.806 1.238 1.00 0.00 O ATOM 417 CB PHE A 29 2.249 -6.553 0.915 1.00 0.00 C ATOM 418 CG PHE A 29 2.600 -6.998 -0.488 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.667 -6.449 -1.185 1.00 0.00 C ATOM 420 CD2 PHE A 29 1.823 -7.948 -1.124 1.00 0.00 C ATOM 421 CE1 PHE A 29 3.944 -6.846 -2.476 1.00 0.00 C ATOM 422 CE2 PHE A 29 2.099 -8.351 -2.413 1.00 0.00 C ATOM 423 CZ PHE A 29 3.160 -7.798 -3.089 1.00 0.00 C ATOM 0 H PHE A 29 1.904 -5.861 3.208 1.00 0.00 H new ATOM 0 HA PHE A 29 3.497 -7.850 2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.342 -7.074 1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.012 -5.489 0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.287 -5.703 -0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.984 -8.383 -0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.777 -6.410 -3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.483 -9.099 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.379 -8.110 -4.100 1.00 0.00 H new ATOM 433 N PHE A 30 4.617 -4.811 1.569 1.00 0.00 N ATOM 434 CA PHE A 30 5.761 -4.025 1.156 1.00 0.00 C ATOM 435 C PHE A 30 6.932 -4.187 2.114 1.00 0.00 C ATOM 436 O PHE A 30 7.994 -4.661 1.734 1.00 0.00 O ATOM 437 CB PHE A 30 5.370 -2.549 1.079 1.00 0.00 C ATOM 438 CG PHE A 30 3.974 -2.318 0.575 1.00 0.00 C ATOM 439 CD1 PHE A 30 3.439 -3.119 -0.419 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.193 -1.307 1.111 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.149 -2.915 -0.870 1.00 0.00 C ATOM 442 CE2 PHE A 30 1.904 -1.096 0.661 1.00 0.00 C ATOM 443 CZ PHE A 30 1.381 -1.902 -0.330 1.00 0.00 C ATOM 0 H PHE A 30 3.813 -4.256 1.861 1.00 0.00 H new ATOM 0 HA PHE A 30 6.074 -4.384 0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.467 -2.105 2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.072 -2.030 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.036 -3.911 -0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.596 -0.677 1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.741 -3.548 -1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.307 -0.302 1.084 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.373 -1.741 -0.683 1.00 0.00 H new ATOM 453 N GLN A 31 6.690 -3.858 3.375 1.00 0.00 N ATOM 454 CA GLN A 31 7.734 -3.881 4.393 1.00 0.00 C ATOM 455 C GLN A 31 8.397 -5.232 4.575 1.00 0.00 C ATOM 456 O GLN A 31 9.579 -5.396 4.275 1.00 0.00 O ATOM 457 CB GLN A 31 7.167 -3.422 5.733 1.00 0.00 C ATOM 458 CG GLN A 31 8.248 -3.020 6.723 1.00 0.00 C ATOM 459 CD GLN A 31 9.258 -2.074 6.101 1.00 0.00 C ATOM 460 OE1 GLN A 31 10.239 -2.640 5.405 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 9.148 -0.855 6.228 1.00 0.00 N flip ATOM 0 H GLN A 31 5.774 -3.570 3.720 1.00 0.00 H new ATOM 0 HA GLN A 31 8.506 -3.199 4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.498 -2.577 5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.567 -4.224 6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.789 -2.543 7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.760 -3.912 7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.378 -0.466 6.772 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.827 -0.233 5.789 1.00 0.00 H new ATOM 470 N THR A 32 7.646 -6.193 5.060 1.00 0.00 N ATOM 471 CA THR A 32 8.190 -7.518 5.319 1.00 0.00 C ATOM 472 C THR A 32 9.035 -8.039 4.156 1.00 0.00 C ATOM 473 O THR A 32 10.218 -8.336 4.319 1.00 0.00 O ATOM 474 CB THR A 32 7.068 -8.530 5.621 1.00 0.00 C ATOM 475 OG1 THR A 32 6.306 -8.093 6.753 1.00 0.00 O ATOM 476 CG2 THR A 32 7.637 -9.914 5.895 1.00 0.00 C ATOM 0 H THR A 32 6.657 -6.089 5.285 1.00 0.00 H new ATOM 0 HA THR A 32 8.835 -7.416 6.191 1.00 0.00 H new ATOM 0 HB THR A 32 6.422 -8.589 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.594 -8.740 6.938 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.822 -10.607 6.105 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.191 -10.259 5.022 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.306 -9.869 6.755 1.00 0.00 H new ATOM 484 N SER A 33 8.420 -8.146 2.988 1.00 0.00 N ATOM 485 CA SER A 33 9.097 -8.676 1.806 1.00 0.00 C ATOM 486 C SER A 33 10.003 -7.672 1.093 1.00 0.00 C ATOM 487 O SER A 33 11.191 -7.929 0.899 1.00 0.00 O ATOM 488 CB SER A 33 8.069 -9.244 0.828 1.00 0.00 C ATOM 489 OG SER A 33 8.701 -9.855 -0.284 1.00 0.00 O ATOM 0 H SER A 33 7.450 -7.873 2.829 1.00 0.00 H new ATOM 0 HA SER A 33 9.758 -9.464 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.442 -9.974 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.412 -8.446 0.483 1.00 0.00 H new ATOM 0 HG SER A 33 9.479 -9.322 -0.552 1.00 0.00 H new ATOM 495 N GLY A 34 9.443 -6.531 0.704 1.00 0.00 N ATOM 496 CA GLY A 34 10.222 -5.582 -0.073 1.00 0.00 C ATOM 497 C GLY A 34 10.876 -4.420 0.660 1.00 0.00 C ATOM 498 O GLY A 34 12.088 -4.406 0.837 1.00 0.00 O ATOM 0 H GLY A 34 8.484 -6.249 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.008 -6.137 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.571 -5.167 -0.842 1.00 0.00 H new ATOM 502 N LEU A 35 10.067 -3.487 1.147 1.00 0.00 N ATOM 503 CA LEU A 35 10.564 -2.276 1.785 1.00 0.00 C ATOM 504 C LEU A 35 11.710 -2.578 2.748 1.00 0.00 C ATOM 505 O LEU A 35 12.559 -1.727 3.012 1.00 0.00 O ATOM 506 CB LEU A 35 9.397 -1.597 2.506 1.00 0.00 C ATOM 507 CG LEU A 35 8.963 -0.256 1.919 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.651 -0.408 0.441 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.754 0.282 2.669 1.00 0.00 C ATOM 0 H LEU A 35 9.050 -3.549 1.111 1.00 0.00 H new ATOM 0 HA LEU A 35 10.968 -1.606 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.542 -2.273 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.673 -1.446 3.550 1.00 0.00 H new ATOM 0 HG LEU A 35 9.780 0.457 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.343 0.555 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.540 -0.757 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.846 -1.131 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.456 1.238 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.930 -0.426 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.009 0.420 3.720 1.00 0.00 H new ATOM 521 N SER A 36 11.710 -3.801 3.266 1.00 0.00 N ATOM 522 CA SER A 36 12.738 -4.267 4.199 1.00 0.00 C ATOM 523 C SER A 36 14.124 -3.656 3.956 1.00 0.00 C ATOM 524 O SER A 36 14.736 -3.141 4.891 1.00 0.00 O ATOM 525 CB SER A 36 12.837 -5.792 4.137 1.00 0.00 C ATOM 526 OG SER A 36 13.196 -6.228 2.837 1.00 0.00 O ATOM 0 H SER A 36 10.999 -4.500 3.053 1.00 0.00 H new ATOM 0 HA SER A 36 12.423 -3.935 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.576 -6.141 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.882 -6.233 4.421 1.00 0.00 H new ATOM 0 HG SER A 36 12.781 -5.642 2.169 1.00 0.00 H new ATOM 532 N LYS A 37 14.633 -3.705 2.725 1.00 0.00 N ATOM 533 CA LYS A 37 15.969 -3.156 2.463 1.00 0.00 C ATOM 534 C LYS A 37 16.168 -2.734 1.010 1.00 0.00 C ATOM 535 O LYS A 37 17.152 -3.117 0.378 1.00 0.00 O ATOM 536 CB LYS A 37 17.033 -4.188 2.826 1.00 0.00 C ATOM 537 CG LYS A 37 17.102 -4.510 4.307 1.00 0.00 C ATOM 538 CD LYS A 37 17.540 -3.305 5.121 1.00 0.00 C ATOM 539 CE LYS A 37 17.489 -3.593 6.613 1.00 0.00 C ATOM 540 NZ LYS A 37 18.252 -4.821 6.968 1.00 0.00 N ATOM 0 H LYS A 37 14.161 -4.105 1.914 1.00 0.00 H new ATOM 0 HA LYS A 37 16.064 -2.263 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.836 -5.107 2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.006 -3.822 2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.125 -4.848 4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.799 -5.332 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.554 -3.023 4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.897 -2.456 4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.895 -2.743 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.451 -3.708 6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.366 -4.873 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.735 -5.659 6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.189 -4.790 6.518 1.00 0.00 H new ATOM 554 N MET A 38 15.243 -1.951 0.479 1.00 0.00 N ATOM 555 CA MET A 38 15.347 -1.481 -0.895 1.00 0.00 C ATOM 556 C MET A 38 15.528 0.030 -0.956 1.00 0.00 C ATOM 557 O MET A 38 15.227 0.745 0.000 1.00 0.00 O ATOM 558 CB MET A 38 14.096 -1.864 -1.676 1.00 0.00 C ATOM 559 CG MET A 38 13.297 -2.980 -1.037 1.00 0.00 C ATOM 560 SD MET A 38 14.145 -4.568 -1.114 1.00 0.00 S ATOM 561 CE MET A 38 13.373 -5.266 -2.565 1.00 0.00 C ATOM 0 H MET A 38 14.413 -1.627 0.976 1.00 0.00 H new ATOM 0 HA MET A 38 16.223 -1.954 -1.338 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.459 -0.985 -1.778 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.385 -2.166 -2.682 1.00 0.00 H new ATOM 0 HG2 MET A 38 13.097 -2.729 0.005 1.00 0.00 H new ATOM 0 HG3 MET A 38 12.331 -3.063 -1.536 1.00 0.00 H new ATOM 0 HE1 MET A 38 13.280 -6.345 -2.444 1.00 0.00 H new ATOM 0 HE2 MET A 38 12.383 -4.829 -2.696 1.00 0.00 H new ATOM 0 HE3 MET A 38 13.984 -5.050 -3.442 1.00 0.00 H new ATOM 571 N SER A 39 16.025 0.506 -2.091 1.00 0.00 N ATOM 572 CA SER A 39 16.239 1.929 -2.299 1.00 0.00 C ATOM 573 C SER A 39 14.911 2.663 -2.462 1.00 0.00 C ATOM 574 O SER A 39 13.876 2.047 -2.721 1.00 0.00 O ATOM 575 CB SER A 39 17.118 2.158 -3.528 1.00 0.00 C ATOM 576 OG SER A 39 18.385 1.542 -3.372 1.00 0.00 O ATOM 0 H SER A 39 16.288 -0.078 -2.885 1.00 0.00 H new ATOM 0 HA SER A 39 16.745 2.327 -1.420 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.622 1.758 -4.413 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.248 3.228 -3.691 1.00 0.00 H new ATOM 0 HG SER A 39 18.927 1.702 -4.172 1.00 0.00 H new ATOM 582 N ALA A 40 14.949 3.980 -2.312 1.00 0.00 N ATOM 583 CA ALA A 40 13.748 4.799 -2.450 1.00 0.00 C ATOM 584 C ALA A 40 13.151 4.640 -3.845 1.00 0.00 C ATOM 585 O ALA A 40 11.936 4.558 -4.012 1.00 0.00 O ATOM 586 CB ALA A 40 14.064 6.260 -2.168 1.00 0.00 C ATOM 0 H ALA A 40 15.796 4.505 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 40 13.013 4.459 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.157 6.856 -2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.446 6.360 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.816 6.613 -2.874 1.00 0.00 H new ATOM 592 N SER A 41 14.024 4.599 -4.844 1.00 0.00 N ATOM 593 CA SER A 41 13.605 4.472 -6.235 1.00 0.00 C ATOM 594 C SER A 41 12.700 3.266 -6.462 1.00 0.00 C ATOM 595 O SER A 41 11.569 3.410 -6.925 1.00 0.00 O ATOM 596 CB SER A 41 14.831 4.367 -7.141 1.00 0.00 C ATOM 597 OG SER A 41 15.577 5.572 -7.134 1.00 0.00 O ATOM 0 H SER A 41 15.034 4.652 -4.715 1.00 0.00 H new ATOM 0 HA SER A 41 13.031 5.366 -6.480 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.463 3.543 -6.809 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.516 4.137 -8.159 1.00 0.00 H new ATOM 0 HG SER A 41 16.357 5.477 -7.720 1.00 0.00 H new ATOM 603 N GLN A 42 13.193 2.079 -6.134 1.00 0.00 N ATOM 604 CA GLN A 42 12.418 0.861 -6.343 1.00 0.00 C ATOM 605 C GLN A 42 11.080 0.945 -5.619 1.00 0.00 C ATOM 606 O GLN A 42 10.079 0.390 -6.066 1.00 0.00 O ATOM 607 CB GLN A 42 13.212 -0.368 -5.901 1.00 0.00 C ATOM 608 CG GLN A 42 13.197 -0.624 -4.407 1.00 0.00 C ATOM 609 CD GLN A 42 12.424 -1.879 -4.049 1.00 0.00 C ATOM 610 OE1 GLN A 42 12.962 -2.984 -4.088 1.00 0.00 O ATOM 611 NE2 GLN A 42 11.160 -1.716 -3.683 1.00 0.00 N ATOM 0 H GLN A 42 14.116 1.933 -5.726 1.00 0.00 H new ATOM 0 HA GLN A 42 12.215 0.760 -7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.813 -1.245 -6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 42 14.246 -0.253 -6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.221 -0.714 -4.045 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.753 0.232 -3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.751 -0.782 -3.664 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.597 -2.525 -3.420 1.00 0.00 H new ATOM 620 N VAL A 43 11.077 1.665 -4.509 1.00 0.00 N ATOM 621 CA VAL A 43 9.859 1.839 -3.738 1.00 0.00 C ATOM 622 C VAL A 43 8.798 2.491 -4.617 1.00 0.00 C ATOM 623 O VAL A 43 7.600 2.278 -4.433 1.00 0.00 O ATOM 624 CB VAL A 43 10.083 2.682 -2.474 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.777 2.843 -1.718 1.00 0.00 C ATOM 626 CG2 VAL A 43 11.145 2.037 -1.596 1.00 0.00 C ATOM 0 H VAL A 43 11.897 2.134 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 43 9.527 0.854 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 43 10.435 3.672 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.946 3.442 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.047 3.341 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.399 1.862 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.296 2.643 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.820 1.038 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.081 1.967 -2.149 1.00 0.00 H new ATOM 636 N LYS A 44 9.260 3.290 -5.575 1.00 0.00 N ATOM 637 CA LYS A 44 8.372 3.950 -6.523 1.00 0.00 C ATOM 638 C LYS A 44 7.480 2.926 -7.201 1.00 0.00 C ATOM 639 O LYS A 44 6.256 3.054 -7.214 1.00 0.00 O ATOM 640 CB LYS A 44 9.184 4.669 -7.596 1.00 0.00 C ATOM 641 CG LYS A 44 10.079 5.767 -7.058 1.00 0.00 C ATOM 642 CD LYS A 44 11.213 6.087 -8.019 1.00 0.00 C ATOM 643 CE LYS A 44 10.708 6.323 -9.428 1.00 0.00 C ATOM 644 NZ LYS A 44 9.648 7.369 -9.474 1.00 0.00 N ATOM 0 H LYS A 44 10.249 3.496 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 44 7.764 4.670 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.798 3.939 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.500 5.098 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.487 6.665 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.492 5.462 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.745 6.972 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.929 5.265 -8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.540 6.622 -10.066 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.315 5.391 -9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.757 7.936 -10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.712 6.915 -9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.733 7.987 -8.642 1.00 0.00 H new ATOM 658 N ASP A 45 8.115 1.904 -7.757 1.00 0.00 N ATOM 659 CA ASP A 45 7.410 0.850 -8.455 1.00 0.00 C ATOM 660 C ASP A 45 6.518 0.108 -7.482 1.00 0.00 C ATOM 661 O ASP A 45 5.394 -0.269 -7.804 1.00 0.00 O ATOM 662 CB ASP A 45 8.412 -0.109 -9.079 1.00 0.00 C ATOM 663 CG ASP A 45 8.078 -0.440 -10.520 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.073 -1.146 -10.749 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.819 0.006 -11.420 1.00 0.00 O ATOM 0 H ASP A 45 9.128 1.786 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 45 6.795 1.283 -9.244 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.408 0.330 -9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.441 -1.029 -8.496 1.00 0.00 H new ATOM 670 N ILE A 46 7.044 -0.102 -6.288 1.00 0.00 N ATOM 671 CA ILE A 46 6.317 -0.766 -5.236 1.00 0.00 C ATOM 672 C ILE A 46 5.022 -0.025 -4.966 1.00 0.00 C ATOM 673 O ILE A 46 3.931 -0.577 -5.095 1.00 0.00 O ATOM 674 CB ILE A 46 7.212 -0.829 -3.979 1.00 0.00 C ATOM 675 CG1 ILE A 46 8.060 -2.088 -4.030 1.00 0.00 C ATOM 676 CG2 ILE A 46 6.421 -0.779 -2.673 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.802 -2.290 -5.334 1.00 0.00 C ATOM 0 H ILE A 46 7.987 0.185 -6.027 1.00 0.00 H new ATOM 0 HA ILE A 46 6.059 -1.784 -5.529 1.00 0.00 H new ATOM 0 HB ILE A 46 7.845 0.058 -3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.784 -2.057 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.418 -2.951 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.109 -0.827 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.854 0.151 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.735 -1.625 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.382 -3.212 -5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.086 -2.356 -6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.473 -1.448 -5.505 1.00 0.00 H new ATOM 689 N PHE A 47 5.158 1.234 -4.589 1.00 0.00 N ATOM 690 CA PHE A 47 4.008 2.066 -4.290 1.00 0.00 C ATOM 691 C PHE A 47 2.907 1.913 -5.323 1.00 0.00 C ATOM 692 O PHE A 47 1.722 2.024 -5.006 1.00 0.00 O ATOM 693 CB PHE A 47 4.423 3.520 -4.215 1.00 0.00 C ATOM 694 CG PHE A 47 3.353 4.366 -3.625 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.972 4.146 -2.324 1.00 0.00 C ATOM 696 CD2 PHE A 47 2.712 5.350 -4.359 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.979 4.889 -1.746 1.00 0.00 C ATOM 698 CE2 PHE A 47 1.704 6.102 -3.784 1.00 0.00 C ATOM 699 CZ PHE A 47 1.344 5.868 -2.473 1.00 0.00 C ATOM 0 H PHE A 47 6.057 1.703 -4.483 1.00 0.00 H new ATOM 0 HA PHE A 47 3.616 1.737 -3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.330 3.610 -3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.664 3.882 -5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.463 3.375 -1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.000 5.531 -5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.694 4.707 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.202 6.867 -4.357 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.561 6.455 -2.016 1.00 0.00 H new ATOM 709 N ARG A 48 3.301 1.661 -6.560 1.00 0.00 N ATOM 710 CA ARG A 48 2.335 1.495 -7.634 1.00 0.00 C ATOM 711 C ARG A 48 1.292 0.449 -7.255 1.00 0.00 C ATOM 712 O ARG A 48 0.186 0.443 -7.794 1.00 0.00 O ATOM 713 CB ARG A 48 3.035 1.118 -8.938 1.00 0.00 C ATOM 714 CG ARG A 48 4.066 2.144 -9.376 1.00 0.00 C ATOM 715 CD ARG A 48 3.448 3.531 -9.499 1.00 0.00 C ATOM 716 NE ARG A 48 4.393 4.509 -10.038 1.00 0.00 N ATOM 717 CZ ARG A 48 5.173 5.292 -9.293 1.00 0.00 C ATOM 718 NH1 ARG A 48 5.163 5.198 -7.970 1.00 0.00 N ATOM 719 NH2 ARG A 48 5.978 6.168 -9.878 1.00 0.00 N ATOM 0 H ARG A 48 4.276 1.567 -6.845 1.00 0.00 H new ATOM 0 HA ARG A 48 1.825 2.446 -7.789 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.522 0.151 -8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.289 1.002 -9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.884 2.171 -8.657 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.493 1.847 -10.334 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.571 3.481 -10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.104 3.862 -8.519 1.00 0.00 H new ATOM 0 HE ARG A 48 4.459 4.598 -11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.554 4.521 -7.511 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.765 5.803 -7.411 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.999 6.241 -10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.576 6.769 -9.311 1.00 0.00 H new ATOM 733 N PHE A 49 1.647 -0.437 -6.322 1.00 0.00 N ATOM 734 CA PHE A 49 0.711 -1.456 -5.867 1.00 0.00 C ATOM 735 C PHE A 49 -0.539 -0.770 -5.327 1.00 0.00 C ATOM 736 O PHE A 49 -1.629 -0.937 -5.873 1.00 0.00 O ATOM 737 CB PHE A 49 1.353 -2.371 -4.809 1.00 0.00 C ATOM 738 CG PHE A 49 0.426 -3.450 -4.302 1.00 0.00 C ATOM 739 CD1 PHE A 49 0.228 -4.603 -5.046 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.244 -3.318 -3.089 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.617 -5.601 -4.597 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.090 -4.315 -2.638 1.00 0.00 C ATOM 743 CZ PHE A 49 -1.276 -5.456 -3.392 1.00 0.00 C ATOM 0 H PHE A 49 2.563 -0.467 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 49 0.435 -2.095 -6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.242 -2.837 -5.235 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.684 -1.763 -3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.741 -4.723 -5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.102 -2.428 -2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.762 -6.493 -5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.605 -4.201 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.936 -6.235 -3.040 1.00 0.00 H new ATOM 753 N ILE A 50 -0.383 0.019 -4.265 1.00 0.00 N ATOM 754 CA ILE A 50 -1.516 0.747 -3.709 1.00 0.00 C ATOM 755 C ILE A 50 -1.804 1.989 -4.527 1.00 0.00 C ATOM 756 O ILE A 50 -0.891 2.746 -4.840 1.00 0.00 O ATOM 757 CB ILE A 50 -1.319 1.174 -2.241 1.00 0.00 C ATOM 758 CG1 ILE A 50 0.058 1.810 -2.012 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.549 -0.003 -1.319 1.00 0.00 C ATOM 760 CD1 ILE A 50 0.270 2.272 -0.582 1.00 0.00 C ATOM 0 H ILE A 50 0.502 0.168 -3.781 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.352 0.049 -3.745 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.058 1.941 -2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.833 1.089 -2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.175 2.661 -2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.407 0.312 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.566 -0.374 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.840 -0.796 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.262 2.712 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.484 3.016 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.184 1.420 0.092 1.00 0.00 H new ATOM 772 N ASP A 51 -3.086 2.173 -4.852 1.00 0.00 N ATOM 773 CA ASP A 51 -3.588 3.311 -5.631 1.00 0.00 C ATOM 774 C ASP A 51 -2.516 3.989 -6.506 1.00 0.00 C ATOM 775 O ASP A 51 -1.582 4.624 -6.019 1.00 0.00 O ATOM 776 CB ASP A 51 -4.293 4.332 -4.720 1.00 0.00 C ATOM 777 CG ASP A 51 -4.135 4.066 -3.226 1.00 0.00 C ATOM 778 OD1 ASP A 51 -4.297 2.901 -2.805 1.00 0.00 O ATOM 779 OD2 ASP A 51 -3.873 5.027 -2.476 1.00 0.00 O ATOM 0 H ASP A 51 -3.821 1.522 -4.576 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.317 2.899 -6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.905 5.326 -4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.355 4.343 -4.963 1.00 0.00 H new ATOM 784 N ASN A 52 -2.736 3.908 -7.813 1.00 0.00 N ATOM 785 CA ASN A 52 -1.820 4.455 -8.814 1.00 0.00 C ATOM 786 C ASN A 52 -2.161 5.903 -9.127 1.00 0.00 C ATOM 787 O ASN A 52 -2.221 6.305 -10.285 1.00 0.00 O ATOM 788 CB ASN A 52 -1.864 3.626 -10.096 1.00 0.00 C ATOM 789 CG ASN A 52 -0.707 3.922 -11.022 1.00 0.00 C ATOM 790 OD1 ASN A 52 0.328 3.256 -10.983 1.00 0.00 O ATOM 791 ND2 ASN A 52 -0.880 4.929 -11.856 1.00 0.00 N ATOM 0 H ASN A 52 -3.559 3.459 -8.213 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.812 4.414 -8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.857 2.567 -9.839 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.801 3.821 -10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.138 5.186 -12.507 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.756 5.451 -11.850 1.00 0.00 H new ATOM 798 N ASP A 53 -2.409 6.678 -8.084 1.00 0.00 N ATOM 799 CA ASP A 53 -2.762 8.086 -8.229 1.00 0.00 C ATOM 800 C ASP A 53 -4.239 8.216 -8.549 1.00 0.00 C ATOM 801 O ASP A 53 -4.907 7.235 -8.875 1.00 0.00 O ATOM 802 CB ASP A 53 -1.924 8.772 -9.316 1.00 0.00 C ATOM 803 CG ASP A 53 -0.452 8.426 -9.218 1.00 0.00 C ATOM 804 OD1 ASP A 53 0.269 9.108 -8.460 1.00 0.00 O ATOM 805 OD2 ASP A 53 -0.021 7.472 -9.899 1.00 0.00 O ATOM 0 H ASP A 53 -2.372 6.354 -7.117 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.548 8.585 -7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.298 8.480 -10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.046 9.852 -9.237 1.00 0.00 H new ATOM 810 N GLN A 54 -4.738 9.432 -8.456 1.00 0.00 N ATOM 811 CA GLN A 54 -6.139 9.701 -8.724 1.00 0.00 C ATOM 812 C GLN A 54 -6.398 11.199 -8.863 1.00 0.00 C ATOM 813 O GLN A 54 -7.116 11.629 -9.766 1.00 0.00 O ATOM 814 CB GLN A 54 -7.027 9.118 -7.619 1.00 0.00 C ATOM 815 CG GLN A 54 -6.347 8.985 -6.263 1.00 0.00 C ATOM 816 CD GLN A 54 -6.102 7.542 -5.875 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.044 7.290 -4.573 1.00 0.00 O flip ATOM 818 NE2 GLN A 54 -5.959 6.668 -6.730 1.00 0.00 N flip ATOM 0 H GLN A 54 -4.193 10.254 -8.196 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.390 9.219 -9.669 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.908 9.750 -7.508 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.377 8.135 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.397 9.519 -6.283 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.965 9.462 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.012 6.909 -7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.788 5.703 -6.449 1.00 0.00 H new ATOM 827 N SER A 55 -5.813 11.991 -7.969 1.00 0.00 N ATOM 828 CA SER A 55 -6.000 13.439 -8.005 1.00 0.00 C ATOM 829 C SER A 55 -4.837 14.176 -7.343 1.00 0.00 C ATOM 830 O SER A 55 -5.048 15.039 -6.492 1.00 0.00 O ATOM 831 CB SER A 55 -7.310 13.817 -7.313 1.00 0.00 C ATOM 832 OG SER A 55 -8.411 13.153 -7.908 1.00 0.00 O ATOM 0 H SER A 55 -5.210 11.659 -7.216 1.00 0.00 H new ATOM 0 HA SER A 55 -6.037 13.740 -9.052 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.254 13.559 -6.255 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.457 14.895 -7.371 1.00 0.00 H new ATOM 0 HG SER A 55 -9.236 13.410 -7.447 1.00 0.00 H new ATOM 838 N GLY A 56 -3.611 13.838 -7.733 1.00 0.00 N ATOM 839 CA GLY A 56 -2.451 14.497 -7.156 1.00 0.00 C ATOM 840 C GLY A 56 -1.884 13.750 -5.966 1.00 0.00 C ATOM 841 O GLY A 56 -0.696 13.854 -5.661 1.00 0.00 O ATOM 0 H GLY A 56 -3.400 13.126 -8.432 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.679 14.597 -7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.727 15.506 -6.848 1.00 0.00 H new ATOM 845 N TYR A 57 -2.745 13.002 -5.299 1.00 0.00 N ATOM 846 CA TYR A 57 -2.368 12.244 -4.113 1.00 0.00 C ATOM 847 C TYR A 57 -3.438 11.209 -3.831 1.00 0.00 C ATOM 848 O TYR A 57 -4.529 11.261 -4.398 1.00 0.00 O ATOM 849 CB TYR A 57 -2.232 13.164 -2.882 1.00 0.00 C ATOM 850 CG TYR A 57 -2.577 14.603 -3.149 1.00 0.00 C ATOM 851 CD1 TYR A 57 -3.894 14.989 -3.149 1.00 0.00 C ATOM 852 CD2 TYR A 57 -1.602 15.553 -3.421 1.00 0.00 C ATOM 853 CE1 TYR A 57 -4.256 16.296 -3.411 1.00 0.00 C ATOM 854 CE2 TYR A 57 -1.947 16.866 -3.681 1.00 0.00 C ATOM 855 CZ TYR A 57 -3.277 17.233 -3.676 1.00 0.00 C ATOM 856 OH TYR A 57 -3.629 18.537 -3.938 1.00 0.00 O ATOM 0 H TYR A 57 -3.725 12.901 -5.562 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.405 11.768 -4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.877 12.788 -2.088 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.208 13.110 -2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.661 14.258 -2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.562 15.263 -3.430 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.297 16.583 -3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.181 17.599 -3.887 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.821 19.067 -4.103 1.00 0.00 H new ATOM 866 N LEU A 58 -3.131 10.273 -2.958 1.00 0.00 N ATOM 867 CA LEU A 58 -4.103 9.264 -2.598 1.00 0.00 C ATOM 868 C LEU A 58 -4.685 9.608 -1.245 1.00 0.00 C ATOM 869 O LEU A 58 -4.059 10.323 -0.466 1.00 0.00 O ATOM 870 CB LEU A 58 -3.471 7.883 -2.578 1.00 0.00 C ATOM 871 CG LEU A 58 -2.414 7.655 -3.651 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.753 6.301 -3.454 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.008 7.779 -5.032 1.00 0.00 C ATOM 0 H LEU A 58 -2.228 10.190 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.898 9.246 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.019 7.719 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.256 7.136 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.650 8.427 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.999 6.148 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.279 6.267 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.506 5.515 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.232 7.612 -5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.797 7.037 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.425 8.778 -5.160 1.00 0.00 H new ATOM 885 N ASP A 59 -5.877 9.114 -0.955 1.00 0.00 N ATOM 886 CA ASP A 59 -6.499 9.429 0.316 1.00 0.00 C ATOM 887 C ASP A 59 -7.391 8.301 0.814 1.00 0.00 C ATOM 888 O ASP A 59 -7.852 7.459 0.044 1.00 0.00 O ATOM 889 CB ASP A 59 -7.295 10.726 0.180 1.00 0.00 C ATOM 890 CG ASP A 59 -7.780 11.251 1.517 1.00 0.00 C ATOM 891 OD1 ASP A 59 -7.032 12.017 2.160 1.00 0.00 O ATOM 892 OD2 ASP A 59 -8.908 10.897 1.919 1.00 0.00 O ATOM 0 H ASP A 59 -6.422 8.507 -1.568 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.711 9.556 1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.673 11.482 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.151 10.556 -0.473 1.00 0.00 H new ATOM 897 N GLY A 60 -7.635 8.319 2.115 1.00 0.00 N ATOM 898 CA GLY A 60 -8.423 7.284 2.767 1.00 0.00 C ATOM 899 C GLY A 60 -9.630 6.813 1.968 1.00 0.00 C ATOM 900 O GLY A 60 -10.024 5.650 2.067 1.00 0.00 O ATOM 0 H GLY A 60 -7.295 9.046 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.779 6.428 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.765 7.659 3.732 1.00 0.00 H new ATOM 904 N ASP A 61 -10.218 7.700 1.172 1.00 0.00 N ATOM 905 CA ASP A 61 -11.396 7.342 0.387 1.00 0.00 C ATOM 906 C ASP A 61 -10.993 6.514 -0.821 1.00 0.00 C ATOM 907 O ASP A 61 -11.645 5.536 -1.180 1.00 0.00 O ATOM 908 CB ASP A 61 -12.133 8.589 -0.090 1.00 0.00 C ATOM 909 CG ASP A 61 -12.101 9.715 0.927 1.00 0.00 C ATOM 910 OD1 ASP A 61 -12.994 9.751 1.800 1.00 0.00 O ATOM 911 OD2 ASP A 61 -11.184 10.559 0.851 1.00 0.00 O ATOM 0 H ASP A 61 -9.903 8.663 1.053 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.058 6.760 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.687 8.935 -1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.169 8.332 -0.308 1.00 0.00 H new ATOM 916 N GLU A 62 -9.913 6.946 -1.452 1.00 0.00 N ATOM 917 CA GLU A 62 -9.396 6.300 -2.643 1.00 0.00 C ATOM 918 C GLU A 62 -8.628 5.023 -2.312 1.00 0.00 C ATOM 919 O GLU A 62 -8.580 4.091 -3.115 1.00 0.00 O ATOM 920 CB GLU A 62 -8.491 7.267 -3.388 1.00 0.00 C ATOM 921 CG GLU A 62 -9.110 8.633 -3.604 1.00 0.00 C ATOM 922 CD GLU A 62 -10.220 8.622 -4.634 1.00 0.00 C ATOM 923 OE1 GLU A 62 -9.918 8.811 -5.832 1.00 0.00 O ATOM 924 OE2 GLU A 62 -11.389 8.425 -4.246 1.00 0.00 O ATOM 0 H GLU A 62 -9.371 7.756 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.244 6.020 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.561 7.383 -2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.232 6.837 -4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.504 9.001 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.335 9.331 -3.920 1.00 0.00 H new ATOM 931 N LEU A 63 -8.027 4.991 -1.127 1.00 0.00 N ATOM 932 CA LEU A 63 -7.228 3.847 -0.692 1.00 0.00 C ATOM 933 C LEU A 63 -7.921 2.521 -0.986 1.00 0.00 C ATOM 934 O LEU A 63 -7.289 1.572 -1.450 1.00 0.00 O ATOM 935 CB LEU A 63 -6.923 3.973 0.804 1.00 0.00 C ATOM 936 CG LEU A 63 -6.004 5.145 1.164 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.523 5.039 2.602 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.822 5.225 0.202 1.00 0.00 C ATOM 0 H LEU A 63 -8.078 5.749 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.296 3.852 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.862 4.083 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.463 3.047 1.148 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.581 6.065 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.873 5.883 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.381 5.049 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.970 4.109 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.184 6.065 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.247 4.300 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.189 5.367 -0.814 1.00 0.00 H new ATOM 950 N LYS A 64 -9.216 2.457 -0.714 1.00 0.00 N ATOM 951 CA LYS A 64 -9.996 1.249 -0.961 1.00 0.00 C ATOM 952 C LYS A 64 -9.998 0.845 -2.436 1.00 0.00 C ATOM 953 O LYS A 64 -10.394 -0.270 -2.778 1.00 0.00 O ATOM 954 CB LYS A 64 -11.422 1.515 -0.500 1.00 0.00 C ATOM 955 CG LYS A 64 -11.488 2.042 0.918 1.00 0.00 C ATOM 956 CD LYS A 64 -12.353 3.287 1.026 1.00 0.00 C ATOM 957 CE LYS A 64 -13.817 2.987 0.749 1.00 0.00 C ATOM 958 NZ LYS A 64 -14.360 1.955 1.676 1.00 0.00 N ATOM 0 H LYS A 64 -9.753 3.230 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.545 0.423 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.889 2.234 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.000 0.593 -0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.885 1.267 1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.481 2.270 1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.253 3.713 2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.997 4.038 0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.399 3.903 0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.929 2.645 -0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.383 1.853 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.890 1.045 1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.186 2.246 2.659 1.00 0.00 H new ATOM 972 N TYR A 65 -9.559 1.745 -3.305 1.00 0.00 N ATOM 973 CA TYR A 65 -9.507 1.453 -4.743 1.00 0.00 C ATOM 974 C TYR A 65 -8.335 0.538 -5.100 1.00 0.00 C ATOM 975 O TYR A 65 -8.339 -0.099 -6.152 1.00 0.00 O ATOM 976 CB TYR A 65 -9.401 2.743 -5.565 1.00 0.00 C ATOM 977 CG TYR A 65 -10.503 3.746 -5.306 1.00 0.00 C ATOM 978 CD1 TYR A 65 -11.610 3.410 -4.542 1.00 0.00 C ATOM 979 CD2 TYR A 65 -10.421 5.038 -5.811 1.00 0.00 C ATOM 980 CE1 TYR A 65 -12.609 4.334 -4.288 1.00 0.00 C ATOM 981 CE2 TYR A 65 -11.416 5.964 -5.567 1.00 0.00 C ATOM 982 CZ TYR A 65 -12.507 5.608 -4.804 1.00 0.00 C ATOM 983 OH TYR A 65 -13.498 6.530 -4.553 1.00 0.00 O ATOM 0 H TYR A 65 -9.235 2.678 -3.049 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.437 0.939 -4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.441 3.215 -5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -9.404 2.485 -6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.694 2.412 -4.139 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.565 5.323 -6.404 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.464 4.058 -3.689 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.340 6.962 -5.972 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.094 7.406 -4.381 1.00 0.00 H new ATOM 993 N PHE A 66 -7.332 0.473 -4.228 1.00 0.00 N ATOM 994 CA PHE A 66 -6.153 -0.346 -4.482 1.00 0.00 C ATOM 995 C PHE A 66 -6.537 -1.752 -4.953 1.00 0.00 C ATOM 996 O PHE A 66 -6.040 -2.224 -5.973 1.00 0.00 O ATOM 997 CB PHE A 66 -5.256 -0.361 -3.225 1.00 0.00 C ATOM 998 CG PHE A 66 -5.127 -1.676 -2.493 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.442 -2.743 -3.052 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.670 -1.825 -1.234 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -4.310 -3.937 -2.362 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -5.538 -3.012 -0.540 1.00 0.00 C ATOM 1003 CZ PHE A 66 -4.859 -4.069 -1.105 1.00 0.00 C ATOM 0 H PHE A 66 -7.313 0.977 -3.341 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.579 0.093 -5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.257 -0.036 -3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.641 0.381 -2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.007 -2.643 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.206 -1.002 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.777 -4.764 -2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.967 -3.111 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.757 -4.998 -0.564 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.408 -2.418 -4.210 1.00 0.00 N ATOM 1014 CA LEU A 67 -7.859 -3.753 -4.593 1.00 0.00 C ATOM 1015 C LEU A 67 -8.608 -3.690 -5.909 1.00 0.00 C ATOM 1016 O LEU A 67 -8.532 -4.594 -6.741 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.799 -4.316 -3.535 1.00 0.00 C ATOM 1018 CG LEU A 67 -8.111 -4.885 -2.294 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -9.126 -5.545 -1.370 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -7.025 -5.872 -2.695 1.00 0.00 C ATOM 0 H LEU A 67 -7.815 -2.062 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.982 -4.393 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.484 -3.527 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.403 -5.101 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.645 -4.063 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.615 -5.943 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.865 -4.808 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.625 -6.357 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.545 -6.268 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.469 -6.691 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.282 -5.365 -3.311 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.332 -2.604 -6.069 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.131 -2.370 -7.247 1.00 0.00 C ATOM 1034 C GLN A 68 -9.247 -2.302 -8.477 1.00 0.00 C ATOM 1035 O GLN A 68 -9.631 -2.743 -9.560 1.00 0.00 O ATOM 1036 CB GLN A 68 -10.943 -1.094 -7.055 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.356 -1.381 -6.613 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.152 -0.131 -6.316 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.749 0.471 -7.209 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -13.173 0.258 -5.048 1.00 0.00 N ATOM 0 H GLN A 68 -9.382 -1.854 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.825 -3.197 -7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.454 -0.462 -6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.963 -0.534 -7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.864 -1.952 -7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.331 -2.008 -5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.662 -0.274 -4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.700 1.089 -4.778 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.062 -1.745 -8.302 1.00 0.00 N ATOM 1050 CA LYS A 69 -7.093 -1.651 -9.377 1.00 0.00 C ATOM 1051 C LYS A 69 -6.858 -2.987 -10.034 1.00 0.00 C ATOM 1052 O LYS A 69 -7.185 -3.197 -11.201 1.00 0.00 O ATOM 1053 CB LYS A 69 -5.762 -1.195 -8.794 1.00 0.00 C ATOM 1054 CG LYS A 69 -5.820 0.177 -8.142 1.00 0.00 C ATOM 1055 CD LYS A 69 -6.297 1.252 -9.101 1.00 0.00 C ATOM 1056 CE LYS A 69 -5.574 1.191 -10.438 1.00 0.00 C ATOM 1057 NZ LYS A 69 -4.100 1.334 -10.282 1.00 0.00 N ATOM 0 H LYS A 69 -7.747 -1.348 -7.417 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.482 -0.951 -10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.429 -1.925 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.014 -1.180 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.487 0.139 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.831 0.441 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.369 1.141 -9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.143 2.233 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.796 0.243 -10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.948 1.981 -11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.712 1.845 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.893 1.866 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.664 0.392 -10.223 1.00 0.00 H new ATOM 1071 N PHE A 70 -6.285 -3.882 -9.264 1.00 0.00 N ATOM 1072 CA PHE A 70 -5.949 -5.190 -9.758 1.00 0.00 C ATOM 1073 C PHE A 70 -7.197 -5.943 -10.180 1.00 0.00 C ATOM 1074 O PHE A 70 -7.162 -6.760 -11.101 1.00 0.00 O ATOM 1075 CB PHE A 70 -5.191 -5.964 -8.702 1.00 0.00 C ATOM 1076 CG PHE A 70 -4.259 -5.143 -7.865 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -3.261 -4.382 -8.453 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -4.371 -5.148 -6.488 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -2.394 -3.638 -7.676 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -3.508 -4.411 -5.709 1.00 0.00 C ATOM 1081 CZ PHE A 70 -2.518 -3.654 -6.302 1.00 0.00 C ATOM 0 H PHE A 70 -6.042 -3.723 -8.286 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.311 -5.077 -10.635 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.910 -6.454 -8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.618 -6.752 -9.191 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.160 -4.370 -9.528 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.144 -5.737 -6.017 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.621 -3.045 -8.143 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.606 -4.425 -4.634 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.841 -3.075 -5.691 1.00 0.00 H new ATOM 1091 N GLN A 71 -8.298 -5.667 -9.501 1.00 0.00 N ATOM 1092 CA GLN A 71 -9.564 -6.304 -9.821 1.00 0.00 C ATOM 1093 C GLN A 71 -10.702 -5.366 -9.499 1.00 0.00 C ATOM 1094 O GLN A 71 -10.986 -5.090 -8.338 1.00 0.00 O ATOM 1095 CB GLN A 71 -9.719 -7.605 -9.045 1.00 0.00 C ATOM 1096 CG GLN A 71 -9.337 -7.476 -7.588 1.00 0.00 C ATOM 1097 CD GLN A 71 -10.525 -7.234 -6.688 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -10.339 -6.357 -5.717 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -11.593 -7.811 -6.873 1.00 0.00 N flip ATOM 0 H GLN A 71 -8.341 -5.006 -8.725 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.582 -6.536 -10.886 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.753 -7.942 -9.115 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.102 -8.374 -9.510 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.826 -8.385 -7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.629 -6.655 -7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.686 -8.480 -7.637 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.388 -7.621 -6.262 1.00 0.00 H new ATOM 1108 N SER A 72 -11.337 -4.879 -10.554 1.00 0.00 N ATOM 1109 CA SER A 72 -12.443 -3.939 -10.435 1.00 0.00 C ATOM 1110 C SER A 72 -13.641 -4.584 -9.763 1.00 0.00 C ATOM 1111 O SER A 72 -14.715 -4.684 -10.357 1.00 0.00 O ATOM 1112 CB SER A 72 -12.840 -3.397 -11.803 1.00 0.00 C ATOM 1113 OG SER A 72 -13.135 -4.449 -12.705 1.00 0.00 O ATOM 0 H SER A 72 -11.101 -5.123 -11.516 1.00 0.00 H new ATOM 0 HA SER A 72 -12.106 -3.110 -9.813 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.709 -2.747 -11.701 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.031 -2.787 -12.204 1.00 0.00 H new ATOM 0 HG SER A 72 -13.908 -4.955 -12.377 1.00 0.00 H new ATOM 1119 N ASP A 73 -13.462 -5.015 -8.533 1.00 0.00 N ATOM 1120 CA ASP A 73 -14.543 -5.644 -7.803 1.00 0.00 C ATOM 1121 C ASP A 73 -14.467 -5.302 -6.329 1.00 0.00 C ATOM 1122 O ASP A 73 -15.508 -5.156 -5.692 1.00 0.00 O ATOM 1123 CB ASP A 73 -14.522 -7.160 -8.001 1.00 0.00 C ATOM 1124 CG ASP A 73 -15.590 -7.863 -7.187 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -16.725 -8.001 -7.690 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -15.292 -8.273 -6.045 1.00 0.00 O ATOM 0 H ASP A 73 -12.584 -4.942 -8.019 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.484 -5.259 -8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.665 -7.388 -9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.542 -7.547 -7.721 1.00 0.00 H new ATOM 1131 N ALA A 74 -13.229 -5.233 -5.788 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.981 -4.885 -4.371 1.00 0.00 C ATOM 1133 C ALA A 74 -14.201 -4.326 -3.646 1.00 0.00 C ATOM 1134 O ALA A 74 -14.900 -3.451 -4.159 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.830 -3.899 -4.234 1.00 0.00 C ATOM 0 H ALA A 74 -12.378 -5.416 -6.319 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.725 -5.831 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.675 -3.665 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.922 -4.340 -4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.068 -2.985 -4.778 1.00 0.00 H new ATOM 1141 N ARG A 75 -14.416 -4.798 -2.428 1.00 0.00 N ATOM 1142 CA ARG A 75 -15.550 -4.347 -1.633 1.00 0.00 C ATOM 1143 C ARG A 75 -15.262 -3.004 -0.963 1.00 0.00 C ATOM 1144 O ARG A 75 -16.026 -2.560 -0.107 1.00 0.00 O ATOM 1145 CB ARG A 75 -15.926 -5.393 -0.577 1.00 0.00 C ATOM 1146 CG ARG A 75 -14.734 -6.074 0.077 1.00 0.00 C ATOM 1147 CD ARG A 75 -13.742 -5.061 0.619 1.00 0.00 C ATOM 1148 NE ARG A 75 -12.550 -5.700 1.173 1.00 0.00 N ATOM 1149 CZ ARG A 75 -12.460 -6.148 2.423 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -13.494 -6.044 3.249 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -11.334 -6.705 2.847 1.00 0.00 N ATOM 0 H ARG A 75 -13.824 -5.490 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.393 -4.215 -2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.526 -4.913 0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.554 -6.153 -1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.080 -6.715 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.238 -6.718 -0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.449 -4.379 -0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.223 -4.461 1.391 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.738 -5.809 0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.363 -5.619 2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.419 -6.389 4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.538 -6.790 2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.264 -7.049 3.805 1.00 0.00 H new ATOM 1165 N GLU A 76 -14.150 -2.362 -1.350 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.751 -1.074 -0.800 1.00 0.00 C ATOM 1167 C GLU A 76 -13.024 -1.279 0.498 1.00 0.00 C ATOM 1168 O GLU A 76 -13.292 -0.609 1.495 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.943 -0.149 -0.601 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.835 -0.055 -1.824 1.00 0.00 C ATOM 1171 CD GLU A 76 -17.162 0.616 -1.530 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.193 1.863 -1.457 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -18.170 -0.104 -1.373 1.00 0.00 O ATOM 0 H GLU A 76 -13.508 -2.727 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.085 -0.594 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.533 -0.503 0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.583 0.847 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.316 0.501 -2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.017 -1.057 -2.213 1.00 0.00 H new ATOM 1180 N LEU A 77 -12.087 -2.213 0.467 1.00 0.00 N ATOM 1181 CA LEU A 77 -11.304 -2.567 1.637 1.00 0.00 C ATOM 1182 C LEU A 77 -12.197 -2.597 2.877 1.00 0.00 C ATOM 1183 O LEU A 77 -13.158 -3.357 2.896 1.00 0.00 O ATOM 1184 CB LEU A 77 -10.111 -1.620 1.766 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.913 -2.030 0.923 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.805 -1.017 1.078 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -8.440 -3.423 1.310 1.00 0.00 C ATOM 0 H LEU A 77 -11.849 -2.746 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.895 -3.572 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.422 -0.616 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.809 -1.571 2.812 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.209 -2.059 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.950 -1.317 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.157 -0.039 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.506 -0.962 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.582 -3.700 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.152 -3.430 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.246 -4.139 1.150 1.00 0.00 H new ATOM 1199 N THR A 78 -11.951 -1.732 3.856 1.00 0.00 N ATOM 1200 CA THR A 78 -12.740 -1.694 5.084 1.00 0.00 C ATOM 1201 C THR A 78 -12.357 -0.463 5.879 1.00 0.00 C ATOM 1202 O THR A 78 -11.421 0.253 5.522 1.00 0.00 O ATOM 1203 CB THR A 78 -12.532 -2.908 6.013 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.208 -2.889 6.552 1.00 0.00 O ATOM 1205 CG2 THR A 78 -12.762 -4.209 5.286 1.00 0.00 C ATOM 0 H THR A 78 -11.202 -1.040 3.822 1.00 0.00 H new ATOM 0 HA THR A 78 -13.782 -1.694 4.763 1.00 0.00 H new ATOM 0 HB THR A 78 -13.261 -2.837 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.247 -3.039 7.520 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.606 -5.042 5.972 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.783 -4.238 4.906 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.063 -4.289 4.454 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.078 -0.220 6.950 1.00 0.00 N ATOM 1214 CA GLU A 79 -12.763 0.901 7.812 1.00 0.00 C ATOM 1215 C GLU A 79 -11.357 0.710 8.381 1.00 0.00 C ATOM 1216 O GLU A 79 -10.534 1.628 8.385 1.00 0.00 O ATOM 1217 CB GLU A 79 -13.786 1.016 8.945 1.00 0.00 C ATOM 1218 CG GLU A 79 -15.201 1.286 8.459 1.00 0.00 C ATOM 1219 CD GLU A 79 -16.199 1.380 9.597 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -16.768 0.334 9.974 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -16.414 2.498 10.109 1.00 0.00 O ATOM 0 H GLU A 79 -13.880 -0.777 7.245 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.801 1.823 7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.779 0.093 9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.482 1.818 9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.215 2.216 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.505 0.491 7.778 1.00 0.00 H new ATOM 1228 N SER A 80 -11.107 -0.509 8.858 1.00 0.00 N ATOM 1229 CA SER A 80 -9.835 -0.890 9.474 1.00 0.00 C ATOM 1230 C SER A 80 -8.722 -1.225 8.477 1.00 0.00 C ATOM 1231 O SER A 80 -7.547 -0.993 8.759 1.00 0.00 O ATOM 1232 CB SER A 80 -10.066 -2.094 10.374 1.00 0.00 C ATOM 1233 OG SER A 80 -10.192 -3.282 9.611 1.00 0.00 O ATOM 0 H SER A 80 -11.788 -1.268 8.828 1.00 0.00 H new ATOM 0 HA SER A 80 -9.493 -0.018 10.032 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.237 -2.194 11.074 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.968 -1.941 10.967 1.00 0.00 H new ATOM 0 HG SER A 80 -11.122 -3.589 9.636 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.084 -1.767 7.319 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.074 -2.192 6.340 1.00 0.00 C ATOM 1241 C GLU A 81 -7.337 -1.009 5.727 1.00 0.00 C ATOM 1242 O GLU A 81 -6.111 -1.029 5.620 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.683 -3.070 5.248 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.659 -3.930 4.523 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.524 -3.122 3.925 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -6.802 -2.073 3.309 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.357 -3.532 4.087 1.00 0.00 O ATOM 0 H GLU A 81 -10.050 -1.923 7.033 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.344 -2.788 6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.440 -3.716 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.192 -2.435 4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.249 -4.662 5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.157 -4.488 3.730 1.00 0.00 H new ATOM 1254 N THR A 82 -8.070 0.025 5.320 1.00 0.00 N ATOM 1255 CA THR A 82 -7.436 1.199 4.747 1.00 0.00 C ATOM 1256 C THR A 82 -6.502 1.847 5.764 1.00 0.00 C ATOM 1257 O THR A 82 -5.695 2.705 5.410 1.00 0.00 O ATOM 1258 CB THR A 82 -8.457 2.233 4.263 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.152 2.808 5.375 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.450 1.594 3.306 1.00 0.00 C ATOM 0 H THR A 82 -9.087 0.070 5.377 1.00 0.00 H new ATOM 0 HA THR A 82 -6.866 0.861 3.882 1.00 0.00 H new ATOM 0 HB THR A 82 -7.920 3.022 3.737 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.800 3.468 5.050 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.168 2.343 2.972 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.918 1.192 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.978 0.787 3.815 1.00 0.00 H new ATOM 1268 N LYS A 83 -6.615 1.440 7.036 1.00 0.00 N ATOM 1269 CA LYS A 83 -5.745 1.965 8.068 1.00 0.00 C ATOM 1270 C LYS A 83 -4.302 1.692 7.668 1.00 0.00 C ATOM 1271 O LYS A 83 -3.398 2.443 8.012 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.057 1.324 9.421 1.00 0.00 C ATOM 1273 CG LYS A 83 -5.340 1.991 10.585 1.00 0.00 C ATOM 1274 CD LYS A 83 -5.778 1.422 11.921 1.00 0.00 C ATOM 1275 CE LYS A 83 -7.158 1.919 12.295 1.00 0.00 C ATOM 1276 NZ LYS A 83 -7.720 1.185 13.462 1.00 0.00 N ATOM 0 H LYS A 83 -7.297 0.755 7.361 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.905 3.038 8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.132 1.365 9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.779 0.271 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.264 1.861 10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.536 3.063 10.565 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.780 0.333 11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.063 1.706 12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.109 2.983 12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.827 1.808 11.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.665 1.557 13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.791 0.173 13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.096 1.311 14.285 1.00 0.00 H new ATOM 1290 N SER A 84 -4.098 0.581 6.957 1.00 0.00 N ATOM 1291 CA SER A 84 -2.775 0.212 6.465 1.00 0.00 C ATOM 1292 C SER A 84 -2.270 1.277 5.530 1.00 0.00 C ATOM 1293 O SER A 84 -1.206 1.867 5.721 1.00 0.00 O ATOM 1294 CB SER A 84 -2.858 -1.084 5.673 1.00 0.00 C ATOM 1295 OG SER A 84 -1.575 -1.647 5.481 1.00 0.00 O ATOM 0 H SER A 84 -4.836 -0.078 6.710 1.00 0.00 H new ATOM 0 HA SER A 84 -2.110 0.096 7.321 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.495 -1.795 6.199 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.323 -0.894 4.706 1.00 0.00 H new ATOM 0 HG SER A 84 -0.944 -0.943 5.224 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.073 1.504 4.509 1.00 0.00 N ATOM 1302 CA LEU A 85 -2.782 2.491 3.505 1.00 0.00 C ATOM 1303 C LEU A 85 -2.686 3.868 4.157 1.00 0.00 C ATOM 1304 O LEU A 85 -1.796 4.657 3.845 1.00 0.00 O ATOM 1305 CB LEU A 85 -3.883 2.428 2.450 1.00 0.00 C ATOM 1306 CG LEU A 85 -4.095 1.036 1.858 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -5.192 1.051 0.812 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.805 0.513 1.262 1.00 0.00 C ATOM 0 H LEU A 85 -3.948 1.003 4.358 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.824 2.297 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.818 2.769 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.641 3.121 1.645 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.404 0.370 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.322 0.047 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.125 1.382 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.919 1.734 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.973 -0.480 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.469 1.186 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.042 0.455 2.039 1.00 0.00 H new ATOM 1320 N MET A 86 -3.594 4.127 5.091 1.00 0.00 N ATOM 1321 CA MET A 86 -3.607 5.388 5.827 1.00 0.00 C ATOM 1322 C MET A 86 -2.322 5.511 6.642 1.00 0.00 C ATOM 1323 O MET A 86 -1.605 6.509 6.564 1.00 0.00 O ATOM 1324 CB MET A 86 -4.818 5.443 6.761 1.00 0.00 C ATOM 1325 CG MET A 86 -6.149 5.318 6.040 1.00 0.00 C ATOM 1326 SD MET A 86 -7.015 6.892 5.911 1.00 0.00 S ATOM 1327 CE MET A 86 -5.680 7.964 5.390 1.00 0.00 C ATOM 0 H MET A 86 -4.334 3.478 5.358 1.00 0.00 H new ATOM 0 HA MET A 86 -3.673 6.214 5.119 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.736 4.642 7.496 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.799 6.384 7.311 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.981 4.917 5.041 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.779 4.603 6.569 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.060 8.976 5.249 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.901 7.972 6.153 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.265 7.598 4.451 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.046 4.460 7.411 1.00 0.00 N ATOM 1338 CA ASP A 87 -0.857 4.367 8.260 1.00 0.00 C ATOM 1339 C ASP A 87 0.426 4.176 7.445 1.00 0.00 C ATOM 1340 O ASP A 87 1.524 4.145 8.001 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.013 3.200 9.224 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.050 3.468 10.298 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.176 3.879 9.949 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -1.734 3.268 11.490 1.00 0.00 O ATOM 0 H ASP A 87 -2.648 3.638 7.464 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.769 5.308 8.804 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.295 2.307 8.666 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.052 2.991 9.695 1.00 0.00 H new ATOM 1349 N ALA A 88 0.281 4.044 6.135 1.00 0.00 N ATOM 1350 CA ALA A 88 1.411 3.813 5.250 1.00 0.00 C ATOM 1351 C ALA A 88 2.296 5.050 5.057 1.00 0.00 C ATOM 1352 O ALA A 88 3.479 4.915 4.745 1.00 0.00 O ATOM 1353 CB ALA A 88 0.899 3.307 3.921 1.00 0.00 C ATOM 0 H ALA A 88 -0.619 4.094 5.658 1.00 0.00 H new ATOM 0 HA ALA A 88 2.050 3.065 5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.740 3.131 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.354 2.375 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.233 4.050 3.481 1.00 0.00 H new ATOM 1359 N ALA A 89 1.741 6.251 5.234 1.00 0.00 N ATOM 1360 CA ALA A 89 2.532 7.471 5.051 1.00 0.00 C ATOM 1361 C ALA A 89 1.952 8.670 5.806 1.00 0.00 C ATOM 1362 O ALA A 89 2.321 8.924 6.952 1.00 0.00 O ATOM 1363 CB ALA A 89 2.657 7.798 3.566 1.00 0.00 C ATOM 0 H ALA A 89 0.768 6.405 5.498 1.00 0.00 H new ATOM 0 HA ALA A 89 3.519 7.276 5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.247 8.706 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.149 6.973 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.664 7.949 3.142 1.00 0.00 H new ATOM 1369 N ASP A 90 1.045 9.404 5.163 1.00 0.00 N ATOM 1370 CA ASP A 90 0.446 10.580 5.791 1.00 0.00 C ATOM 1371 C ASP A 90 -0.773 10.156 6.598 1.00 0.00 C ATOM 1372 O ASP A 90 -1.912 10.324 6.168 1.00 0.00 O ATOM 1373 CB ASP A 90 0.070 11.629 4.751 1.00 0.00 C ATOM 1374 CG ASP A 90 0.319 13.038 5.249 1.00 0.00 C ATOM 1375 OD1 ASP A 90 -0.394 13.475 6.173 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.234 13.703 4.719 1.00 0.00 O ATOM 0 H ASP A 90 0.712 9.208 4.219 1.00 0.00 H new ATOM 0 HA ASP A 90 1.178 11.034 6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.645 11.459 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.982 11.518 4.488 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.511 9.605 7.770 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.568 9.097 8.642 1.00 0.00 C ATOM 1383 C ASN A 91 -1.893 10.040 9.794 1.00 0.00 C ATOM 1384 O ASN A 91 -3.041 10.447 9.974 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.190 7.715 9.207 1.00 0.00 C ATOM 1386 CG ASN A 91 0.292 7.404 9.084 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.684 6.842 7.943 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 1.074 7.668 9.998 1.00 0.00 N flip ATOM 0 H ASN A 91 0.431 9.495 8.146 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.460 9.015 8.021 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.479 7.667 10.257 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.761 6.947 8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.729 8.099 10.856 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.067 7.456 9.897 1.00 0.00 H new ATOM 1395 N ASP A 92 -0.874 10.382 10.569 1.00 0.00 N ATOM 1396 CA ASP A 92 -1.054 11.230 11.739 1.00 0.00 C ATOM 1397 C ASP A 92 -1.270 12.702 11.395 1.00 0.00 C ATOM 1398 O ASP A 92 -1.468 13.516 12.297 1.00 0.00 O ATOM 1399 CB ASP A 92 0.153 11.095 12.669 1.00 0.00 C ATOM 1400 CG ASP A 92 0.007 11.920 13.932 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -0.558 11.403 14.917 1.00 0.00 O ATOM 1402 OD2 ASP A 92 0.459 13.085 13.936 1.00 0.00 O ATOM 0 H ASP A 92 0.088 10.085 10.408 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.962 10.885 12.234 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.286 10.047 12.937 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.053 11.405 12.138 1.00 0.00 H new ATOM 1407 N GLY A 93 -1.238 13.067 10.115 1.00 0.00 N ATOM 1408 CA GLY A 93 -1.430 14.465 9.772 1.00 0.00 C ATOM 1409 C GLY A 93 -2.533 14.713 8.753 1.00 0.00 C ATOM 1410 O GLY A 93 -3.690 14.919 9.119 1.00 0.00 O ATOM 0 H GLY A 93 -1.086 12.437 9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.659 15.022 10.681 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.494 14.863 9.381 1.00 0.00 H new ATOM 1414 N ASP A 94 -2.168 14.692 7.473 1.00 0.00 N ATOM 1415 CA ASP A 94 -3.115 14.960 6.393 1.00 0.00 C ATOM 1416 C ASP A 94 -4.068 13.794 6.137 1.00 0.00 C ATOM 1417 O ASP A 94 -5.286 13.955 6.205 1.00 0.00 O ATOM 1418 CB ASP A 94 -2.363 15.304 5.106 1.00 0.00 C ATOM 1419 CG ASP A 94 -1.436 16.491 5.278 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -1.906 17.637 5.120 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -0.242 16.273 5.572 1.00 0.00 O ATOM 0 H ASP A 94 -1.219 14.491 7.157 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.721 15.809 6.710 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.784 14.438 4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.081 15.519 4.315 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.513 12.620 5.844 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.345 11.462 5.560 1.00 0.00 C ATOM 1428 C GLY A 95 -4.217 10.986 4.121 1.00 0.00 C ATOM 1429 O GLY A 95 -4.999 10.152 3.668 1.00 0.00 O ATOM 0 H GLY A 95 -2.508 12.450 5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.071 10.649 6.233 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.387 11.709 5.765 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.227 11.513 3.400 1.00 0.00 N ATOM 1434 CA LYS A 96 -3.006 11.134 2.010 1.00 0.00 C ATOM 1435 C LYS A 96 -1.800 10.205 1.888 1.00 0.00 C ATOM 1436 O LYS A 96 -0.918 10.208 2.742 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.825 12.409 1.145 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.597 12.441 0.228 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.295 12.683 0.987 1.00 0.00 C ATOM 1440 CE LYS A 96 -0.423 13.846 1.961 1.00 0.00 C ATOM 1441 NZ LYS A 96 0.903 14.418 2.323 1.00 0.00 N ATOM 0 H LYS A 96 -2.567 12.203 3.758 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.876 10.588 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.715 12.533 0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.776 13.270 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.527 11.496 -0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.728 13.225 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.017 11.780 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.508 12.888 0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.045 14.624 1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.931 13.508 2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.793 15.423 2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.291 13.905 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.553 14.326 1.516 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.766 9.416 0.822 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.645 8.522 0.590 1.00 0.00 C ATOM 1457 C ILE A 97 -0.126 8.649 -0.825 1.00 0.00 C ATOM 1458 O ILE A 97 -0.706 8.096 -1.735 1.00 0.00 O ATOM 1459 CB ILE A 97 -1.013 7.054 0.774 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.844 6.842 2.025 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.259 6.236 0.846 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -1.114 7.178 3.308 1.00 0.00 C ATOM 0 H ILE A 97 -2.496 9.378 0.111 1.00 0.00 H new ATOM 0 HA ILE A 97 0.105 8.817 1.324 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.616 6.734 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.744 7.453 1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.167 5.802 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.008 5.184 0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.825 6.361 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.861 6.573 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.773 7.001 4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.228 6.549 3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.815 8.226 3.293 1.00 0.00 H new ATOM 1474 N GLY A 98 0.956 9.372 -1.002 1.00 0.00 N ATOM 1475 CA GLY A 98 1.554 9.513 -2.309 1.00 0.00 C ATOM 1476 C GLY A 98 2.903 8.840 -2.374 1.00 0.00 C ATOM 1477 O GLY A 98 3.457 8.458 -1.351 1.00 0.00 O ATOM 0 H GLY A 98 1.440 9.872 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.894 9.081 -3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.662 10.571 -2.549 1.00 0.00 H new ATOM 1481 N ALA A 99 3.431 8.689 -3.574 1.00 0.00 N ATOM 1482 CA ALA A 99 4.726 8.043 -3.734 1.00 0.00 C ATOM 1483 C ALA A 99 5.770 8.728 -2.850 1.00 0.00 C ATOM 1484 O ALA A 99 6.534 8.068 -2.147 1.00 0.00 O ATOM 1485 CB ALA A 99 5.152 8.060 -5.190 1.00 0.00 C ATOM 0 H ALA A 99 2.994 8.998 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 99 4.641 7.003 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.122 7.573 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.415 7.528 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.226 9.091 -5.535 1.00 0.00 H new ATOM 1491 N ASP A 100 5.791 10.058 -2.895 1.00 0.00 N ATOM 1492 CA ASP A 100 6.720 10.834 -2.079 1.00 0.00 C ATOM 1493 C ASP A 100 6.468 10.572 -0.597 1.00 0.00 C ATOM 1494 O ASP A 100 7.394 10.287 0.160 1.00 0.00 O ATOM 1495 CB ASP A 100 6.586 12.329 -2.385 1.00 0.00 C ATOM 1496 CG ASP A 100 5.255 12.906 -1.946 1.00 0.00 C ATOM 1497 OD1 ASP A 100 5.117 13.239 -0.751 1.00 0.00 O ATOM 1498 OD2 ASP A 100 4.349 13.026 -2.798 1.00 0.00 O ATOM 0 H ASP A 100 5.177 10.619 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 100 7.736 10.522 -2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.392 12.870 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.709 12.487 -3.456 1.00 0.00 H new ATOM 1503 N GLU A 101 5.204 10.663 -0.197 1.00 0.00 N ATOM 1504 CA GLU A 101 4.806 10.420 1.185 1.00 0.00 C ATOM 1505 C GLU A 101 5.186 8.996 1.575 1.00 0.00 C ATOM 1506 O GLU A 101 5.872 8.772 2.571 1.00 0.00 O ATOM 1507 CB GLU A 101 3.287 10.641 1.326 1.00 0.00 C ATOM 1508 CG GLU A 101 2.859 11.872 2.127 1.00 0.00 C ATOM 1509 CD GLU A 101 3.904 12.973 2.197 1.00 0.00 C ATOM 1510 OE1 GLU A 101 3.931 13.823 1.283 1.00 0.00 O ATOM 1511 OE2 GLU A 101 4.689 12.984 3.166 1.00 0.00 O ATOM 0 H GLU A 101 4.431 10.906 -0.817 1.00 0.00 H new ATOM 0 HA GLU A 101 5.320 11.113 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.857 10.714 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.854 9.758 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.950 12.279 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.609 11.561 3.141 1.00 0.00 H new ATOM 1518 N PHE A 102 4.730 8.039 0.780 1.00 0.00 N ATOM 1519 CA PHE A 102 5.049 6.638 1.002 1.00 0.00 C ATOM 1520 C PHE A 102 6.560 6.445 1.082 1.00 0.00 C ATOM 1521 O PHE A 102 7.062 5.739 1.956 1.00 0.00 O ATOM 1522 CB PHE A 102 4.461 5.788 -0.114 1.00 0.00 C ATOM 1523 CG PHE A 102 4.650 4.328 0.135 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.870 3.734 -0.109 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.614 3.553 0.637 1.00 0.00 C ATOM 1526 CE1 PHE A 102 6.060 2.395 0.137 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.797 2.207 0.882 1.00 0.00 C ATOM 1528 CZ PHE A 102 5.025 1.626 0.632 1.00 0.00 C ATOM 0 H PHE A 102 4.134 8.210 -0.030 1.00 0.00 H new ATOM 0 HA PHE A 102 4.612 6.322 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.397 6.004 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.930 6.058 -1.060 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.685 4.327 -0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.655 4.008 0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 102 7.021 1.943 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.983 1.611 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.175 0.574 0.823 1.00 0.00 H new ATOM 1538 N GLN A 103 7.277 7.078 0.158 1.00 0.00 N ATOM 1539 CA GLN A 103 8.734 6.998 0.125 1.00 0.00 C ATOM 1540 C GLN A 103 9.324 7.415 1.465 1.00 0.00 C ATOM 1541 O GLN A 103 10.369 6.913 1.880 1.00 0.00 O ATOM 1542 CB GLN A 103 9.284 7.894 -0.981 1.00 0.00 C ATOM 1543 CG GLN A 103 9.096 7.326 -2.366 1.00 0.00 C ATOM 1544 CD GLN A 103 10.334 6.624 -2.878 1.00 0.00 C ATOM 1545 OE1 GLN A 103 11.113 6.070 -2.103 1.00 0.00 O ATOM 1546 NE2 GLN A 103 10.522 6.645 -4.190 1.00 0.00 N ATOM 0 H GLN A 103 6.871 7.654 -0.580 1.00 0.00 H new ATOM 0 HA GLN A 103 9.016 5.965 -0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.795 8.867 -0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.347 8.062 -0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.262 6.624 -2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.829 8.130 -3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.849 7.117 -4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.340 6.189 -4.595 1.00 0.00 H new ATOM 1555 N GLU A 104 8.648 8.342 2.137 1.00 0.00 N ATOM 1556 CA GLU A 104 9.116 8.825 3.432 1.00 0.00 C ATOM 1557 C GLU A 104 9.040 7.715 4.476 1.00 0.00 C ATOM 1558 O GLU A 104 9.900 7.611 5.349 1.00 0.00 O ATOM 1559 CB GLU A 104 8.310 10.043 3.891 1.00 0.00 C ATOM 1560 CG GLU A 104 8.516 11.270 3.019 1.00 0.00 C ATOM 1561 CD GLU A 104 7.958 12.533 3.643 1.00 0.00 C ATOM 1562 OE1 GLU A 104 8.379 12.876 4.767 1.00 0.00 O ATOM 1563 OE2 GLU A 104 7.102 13.182 3.006 1.00 0.00 O ATOM 0 H GLU A 104 7.782 8.771 1.810 1.00 0.00 H new ATOM 0 HA GLU A 104 10.156 9.130 3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.251 9.786 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.586 10.286 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.582 11.403 2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.040 11.107 2.052 1.00 0.00 H new ATOM 1570 N MET A 105 8.003 6.887 4.376 1.00 0.00 N ATOM 1571 CA MET A 105 7.815 5.784 5.311 1.00 0.00 C ATOM 1572 C MET A 105 8.986 4.811 5.251 1.00 0.00 C ATOM 1573 O MET A 105 9.602 4.503 6.271 1.00 0.00 O ATOM 1574 CB MET A 105 6.513 5.045 5.016 1.00 0.00 C ATOM 1575 CG MET A 105 5.905 4.394 6.246 1.00 0.00 C ATOM 1576 SD MET A 105 7.001 3.177 7.000 1.00 0.00 S ATOM 1577 CE MET A 105 6.139 2.842 8.535 1.00 0.00 C ATOM 0 H MET A 105 7.282 6.960 3.658 1.00 0.00 H new ATOM 0 HA MET A 105 7.764 6.205 6.315 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.794 5.744 4.590 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.699 4.280 4.262 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.665 5.164 6.979 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.967 3.912 5.971 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.487 1.895 8.948 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.338 3.644 9.246 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.067 2.783 8.345 1.00 0.00 H new ATOM 1587 N VAL A 106 9.291 4.327 4.050 1.00 0.00 N ATOM 1588 CA VAL A 106 10.391 3.393 3.862 1.00 0.00 C ATOM 1589 C VAL A 106 11.713 4.027 4.281 1.00 0.00 C ATOM 1590 O VAL A 106 12.599 3.356 4.810 1.00 0.00 O ATOM 1591 CB VAL A 106 10.489 2.929 2.392 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.550 4.121 1.456 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.694 2.016 2.188 1.00 0.00 C ATOM 0 H VAL A 106 8.791 4.568 3.194 1.00 0.00 H new ATOM 0 HA VAL A 106 10.191 2.525 4.490 1.00 0.00 H new ATOM 0 HB VAL A 106 9.591 2.358 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.619 3.772 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.650 4.724 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.425 4.725 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.741 1.703 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.606 2.554 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.597 1.138 2.826 1.00 0.00 H new ATOM 1603 N HIS A 107 11.833 5.325 4.037 1.00 0.00 N ATOM 1604 CA HIS A 107 13.039 6.062 4.387 1.00 0.00 C ATOM 1605 C HIS A 107 13.060 6.397 5.877 1.00 0.00 C ATOM 1606 O HIS A 107 14.122 6.626 6.456 1.00 0.00 O ATOM 1607 CB HIS A 107 13.131 7.345 3.562 1.00 0.00 C ATOM 1608 CG HIS A 107 14.455 8.035 3.670 1.00 0.00 C ATOM 1609 ND1 HIS A 107 15.449 7.906 2.724 1.00 0.00 N ATOM 1610 CD2 HIS A 107 14.946 8.867 4.619 1.00 0.00 C ATOM 1611 CE1 HIS A 107 16.496 8.627 3.087 1.00 0.00 C ATOM 1612 NE2 HIS A 107 16.215 9.221 4.232 1.00 0.00 N ATOM 0 H HIS A 107 11.107 5.890 3.597 1.00 0.00 H new ATOM 0 HA HIS A 107 13.900 5.431 4.164 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.939 7.108 2.516 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.347 8.030 3.883 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.435 9.192 5.513 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.423 8.715 2.540 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.840 9.842 4.746 1.00 0.00 H new ATOM 1621 N SER A 108 11.882 6.419 6.494 1.00 0.00 N ATOM 1622 CA SER A 108 11.768 6.724 7.916 1.00 0.00 C ATOM 1623 C SER A 108 12.628 5.778 8.748 1.00 0.00 C ATOM 1624 O SER A 108 12.126 4.696 9.120 1.00 0.00 O ATOM 1625 CB SER A 108 10.309 6.633 8.364 1.00 0.00 C ATOM 1626 OG SER A 108 10.185 6.867 9.756 1.00 0.00 O ATOM 1627 OXT SER A 108 13.795 6.126 9.022 1.00 0.00 O ATOM 0 H SER A 108 10.993 6.229 6.031 1.00 0.00 H new ATOM 0 HA SER A 108 12.126 7.742 8.072 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.711 7.361 7.816 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.912 5.647 8.121 1.00 0.00 H new ATOM 0 HG SER A 108 9.242 6.804 10.016 1.00 0.00 H new TER 1633 SER A 108