USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 686 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 5 SER OG : rot -143:sc= -1.69 USER MOD Set 1.2: A -1 SER N :NH3+ 177:sc= 0.848 (180deg=-0.178) USER MOD Set 1.3: A -1 SER OG : rot 180:sc= 0.405 USER MOD Single : A 1 MET CE :methyl -144:sc= -0.324 (180deg=-1.89!) USER MOD Single : A 2 GLN : amide:sc= -0.0292 K(o=-0.029,f=-1.9!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 33 ASN : amide:sc=-0.00289 K(o=-0.0029,f=-2!) USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= -1.33 (180deg=-1.35) USER MOD Single : A 62 SER OG : rot 180:sc= 0.548 USER MOD Single : A 65 HIS : no HE2:sc= -4.02! C(o=-4!,f=-8.8!) USER MOD Single : A 68 SER OG : rot 7:sc= -1.21 USER MOD Single : A 71 SER OG : rot -120:sc= -4.9! USER MOD Single : A 80 THR OG1 : rot -32:sc= 0.317 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.929 USER MOD Single : A 87 LYS NZ :NH3+ 166:sc= -2.45 (180deg=-2.63) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -1 7.641 -4.233 -6.494 1.00 0.00 N ATOM 2 CA SER A -1 7.742 -5.667 -6.102 1.00 0.00 C ATOM 3 C SER A -1 8.771 -5.819 -4.981 1.00 0.00 C ATOM 4 O SER A -1 9.273 -6.897 -4.728 1.00 0.00 O ATOM 5 CB SER A -1 8.180 -6.495 -7.311 1.00 0.00 C ATOM 6 OG SER A -1 8.180 -5.670 -8.470 1.00 0.00 O ATOM 0 H1 SER A -1 6.979 -4.137 -7.290 1.00 0.00 H new ATOM 0 H2 SER A -1 7.295 -3.676 -5.687 1.00 0.00 H new ATOM 0 H3 SER A -1 8.578 -3.884 -6.779 1.00 0.00 H new ATOM 0 HA SER A -1 6.771 -6.017 -5.753 1.00 0.00 H new ATOM 0 HB2 SER A -1 9.175 -6.906 -7.143 1.00 0.00 H new ATOM 0 HB3 SER A -1 7.505 -7.340 -7.452 1.00 0.00 H new ATOM 0 HG SER A -1 8.461 -6.197 -9.247 1.00 0.00 H new ATOM 14 N GLU A 0 9.091 -4.749 -4.306 1.00 0.00 N ATOM 15 CA GLU A 0 10.089 -4.835 -3.203 1.00 0.00 C ATOM 16 C GLU A 0 9.567 -5.775 -2.114 1.00 0.00 C ATOM 17 O GLU A 0 10.323 -6.476 -1.472 1.00 0.00 O ATOM 18 CB GLU A 0 10.315 -3.443 -2.610 1.00 0.00 C ATOM 19 CG GLU A 0 10.946 -2.535 -3.667 1.00 0.00 C ATOM 20 CD GLU A 0 11.232 -1.162 -3.057 1.00 0.00 C ATOM 21 OE1 GLU A 0 10.792 -0.927 -1.943 1.00 0.00 O ATOM 22 OE2 GLU A 0 11.885 -0.368 -3.713 1.00 0.00 O ATOM 0 H GLU A 0 8.705 -3.819 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 0 11.030 -5.220 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 0 9.368 -3.022 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 0 10.964 -3.509 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 0 11.870 -2.979 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 0 10.276 -2.433 -4.521 1.00 0.00 H new ATOM 29 N MET A 1 8.279 -5.795 -1.899 1.00 0.00 N ATOM 30 CA MET A 1 7.710 -6.682 -0.856 1.00 0.00 C ATOM 31 C MET A 1 7.267 -7.992 -1.504 1.00 0.00 C ATOM 32 O MET A 1 8.046 -8.692 -2.120 1.00 0.00 O ATOM 33 CB MET A 1 6.499 -5.984 -0.241 1.00 0.00 C ATOM 34 CG MET A 1 6.915 -4.594 0.239 1.00 0.00 C ATOM 35 SD MET A 1 8.188 -4.749 1.515 1.00 0.00 S ATOM 36 CE MET A 1 7.177 -5.617 2.740 1.00 0.00 C ATOM 0 H MET A 1 7.597 -5.231 -2.406 1.00 0.00 H new ATOM 0 HA MET A 1 8.453 -6.892 -0.086 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.698 -5.904 -0.975 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.110 -6.569 0.592 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.294 -4.007 -0.598 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.051 -4.061 0.636 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.451 -5.283 3.741 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.124 -5.401 2.561 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.346 -6.691 2.657 1.00 0.00 H new ATOM 46 N GLN A 2 6.014 -8.314 -1.377 1.00 0.00 N ATOM 47 CA GLN A 2 5.489 -9.566 -1.993 1.00 0.00 C ATOM 48 C GLN A 2 4.574 -9.182 -3.152 1.00 0.00 C ATOM 49 O GLN A 2 4.922 -9.313 -4.309 1.00 0.00 O ATOM 50 CB GLN A 2 4.691 -10.354 -0.951 1.00 0.00 C ATOM 51 CG GLN A 2 5.617 -10.779 0.191 1.00 0.00 C ATOM 52 CD GLN A 2 4.810 -11.532 1.250 1.00 0.00 C ATOM 53 OE1 GLN A 2 3.597 -11.461 1.270 1.00 0.00 O ATOM 54 NE2 GLN A 2 5.435 -12.255 2.138 1.00 0.00 N ATOM 0 H GLN A 2 5.323 -7.761 -0.869 1.00 0.00 H new ATOM 0 HA GLN A 2 6.313 -10.184 -2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 2 3.876 -9.742 -0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 2 4.239 -11.232 -1.412 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.416 -11.414 -0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.091 -9.903 0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.453 -12.315 2.122 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.906 -12.760 2.848 1.00 0.00 H new ATOM 63 N HIS A 3 3.412 -8.682 -2.840 1.00 0.00 N ATOM 64 CA HIS A 3 2.466 -8.254 -3.903 1.00 0.00 C ATOM 65 C HIS A 3 2.503 -6.728 -3.983 1.00 0.00 C ATOM 66 O HIS A 3 1.576 -6.092 -4.442 1.00 0.00 O ATOM 67 CB HIS A 3 1.051 -8.718 -3.553 1.00 0.00 C ATOM 68 CG HIS A 3 1.033 -10.215 -3.419 1.00 0.00 C ATOM 69 ND1 HIS A 3 1.215 -11.058 -4.507 1.00 0.00 N ATOM 70 CD2 HIS A 3 0.857 -11.038 -2.332 1.00 0.00 C ATOM 71 CE1 HIS A 3 1.145 -12.324 -4.056 1.00 0.00 C ATOM 72 NE2 HIS A 3 0.928 -12.365 -2.741 1.00 0.00 N ATOM 0 H HIS A 3 3.076 -8.551 -1.886 1.00 0.00 H new ATOM 0 HA HIS A 3 2.750 -8.691 -4.860 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.725 -8.255 -2.622 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.352 -8.403 -4.327 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.690 -10.706 -1.318 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.251 -13.198 -4.681 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.834 -13.196 -2.157 1.00 0.00 H new ATOM 81 N ALA A 4 3.572 -6.138 -3.517 1.00 0.00 N ATOM 82 CA ALA A 4 3.682 -4.655 -3.537 1.00 0.00 C ATOM 83 C ALA A 4 3.417 -4.133 -4.951 1.00 0.00 C ATOM 84 O ALA A 4 2.754 -3.132 -5.136 1.00 0.00 O ATOM 85 CB ALA A 4 5.092 -4.248 -3.104 1.00 0.00 C ATOM 0 H ALA A 4 4.377 -6.625 -3.122 1.00 0.00 H new ATOM 0 HA ALA A 4 2.947 -4.230 -2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.177 -3.161 -3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.283 -4.615 -2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.822 -4.678 -3.790 1.00 0.00 H new ATOM 91 N SER A 5 3.928 -4.799 -5.950 1.00 0.00 N ATOM 92 CA SER A 5 3.699 -4.333 -7.346 1.00 0.00 C ATOM 93 C SER A 5 2.200 -4.343 -7.651 1.00 0.00 C ATOM 94 O SER A 5 1.682 -3.457 -8.303 1.00 0.00 O ATOM 95 CB SER A 5 4.423 -5.264 -8.319 1.00 0.00 C ATOM 96 OG SER A 5 5.796 -5.345 -7.957 1.00 0.00 O ATOM 0 H SER A 5 4.493 -5.644 -5.860 1.00 0.00 H new ATOM 0 HA SER A 5 4.084 -3.319 -7.457 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.970 -6.255 -8.297 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.325 -4.891 -9.339 1.00 0.00 H new ATOM 0 HG SER A 5 6.346 -5.386 -8.767 1.00 0.00 H new ATOM 102 N VAL A 6 1.500 -5.337 -7.182 1.00 0.00 N ATOM 103 CA VAL A 6 0.034 -5.405 -7.443 1.00 0.00 C ATOM 104 C VAL A 6 -0.651 -4.187 -6.824 1.00 0.00 C ATOM 105 O VAL A 6 -1.501 -3.561 -7.429 1.00 0.00 O ATOM 106 CB VAL A 6 -0.529 -6.682 -6.822 1.00 0.00 C ATOM 107 CG1 VAL A 6 -2.057 -6.643 -6.863 1.00 0.00 C ATOM 108 CG2 VAL A 6 -0.030 -7.895 -7.610 1.00 0.00 C ATOM 0 H VAL A 6 1.879 -6.106 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.148 -5.412 -8.518 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.196 -6.757 -5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.456 -7.555 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.414 -5.780 -6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.391 -6.566 -7.898 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.431 -8.807 -7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.362 -7.818 -8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.059 -7.926 -7.579 1.00 0.00 H new ATOM 118 N ILE A 7 -0.282 -3.843 -5.623 1.00 0.00 N ATOM 119 CA ILE A 7 -0.901 -2.664 -4.961 1.00 0.00 C ATOM 120 C ILE A 7 -0.638 -1.422 -5.807 1.00 0.00 C ATOM 121 O ILE A 7 -1.492 -0.574 -5.974 1.00 0.00 O ATOM 122 CB ILE A 7 -0.274 -2.476 -3.583 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.514 -3.731 -2.744 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.910 -1.269 -2.892 1.00 0.00 C ATOM 125 CD1 ILE A 7 0.340 -3.672 -1.478 1.00 0.00 C ATOM 0 H ILE A 7 0.424 -4.329 -5.070 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.975 -2.819 -4.857 1.00 0.00 H new ATOM 0 HB ILE A 7 0.798 -2.307 -3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.569 -3.808 -2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.264 -4.621 -3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.462 -1.135 -1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.741 -0.375 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.982 -1.435 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.168 -4.567 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.393 -3.616 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.069 -2.791 -0.897 1.00 0.00 H new ATOM 137 N ALA A 8 0.543 -1.314 -6.343 1.00 0.00 N ATOM 138 CA ALA A 8 0.874 -0.134 -7.182 1.00 0.00 C ATOM 139 C ALA A 8 -0.071 -0.097 -8.385 1.00 0.00 C ATOM 140 O ALA A 8 -0.484 0.955 -8.832 1.00 0.00 O ATOM 141 CB ALA A 8 2.320 -0.253 -7.662 1.00 0.00 C ATOM 0 H ALA A 8 1.295 -1.995 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 8 0.760 0.783 -6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.571 0.610 -8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.987 -0.290 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.435 -1.164 -8.249 1.00 0.00 H new ATOM 147 N GLN A 9 -0.418 -1.240 -8.911 1.00 0.00 N ATOM 148 CA GLN A 9 -1.341 -1.271 -10.082 1.00 0.00 C ATOM 149 C GLN A 9 -2.724 -0.754 -9.672 1.00 0.00 C ATOM 150 O GLN A 9 -3.382 -0.060 -10.420 1.00 0.00 O ATOM 151 CB GLN A 9 -1.468 -2.709 -10.592 1.00 0.00 C ATOM 152 CG GLN A 9 -0.112 -3.189 -11.116 1.00 0.00 C ATOM 153 CD GLN A 9 -0.265 -4.586 -11.721 1.00 0.00 C ATOM 154 OE1 GLN A 9 -1.427 -5.177 -11.682 1.00 0.00 O flip ATOM 155 NE2 GLN A 9 0.684 -5.144 -12.234 1.00 0.00 N flip ATOM 0 H GLN A 9 -0.103 -2.152 -8.581 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.939 -0.634 -10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.811 -3.362 -9.789 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.214 -2.760 -11.385 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.266 -2.495 -11.867 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.617 -3.210 -10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.592 -4.681 -12.264 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.572 -6.075 -12.635 1.00 0.00 H new ATOM 164 N PHE A 10 -3.177 -1.099 -8.496 1.00 0.00 N ATOM 165 CA PHE A 10 -4.527 -0.636 -8.052 1.00 0.00 C ATOM 166 C PHE A 10 -4.568 0.885 -7.915 1.00 0.00 C ATOM 167 O PHE A 10 -5.456 1.538 -8.426 1.00 0.00 O ATOM 168 CB PHE A 10 -4.865 -1.260 -6.697 1.00 0.00 C ATOM 169 CG PHE A 10 -5.422 -2.649 -6.889 1.00 0.00 C ATOM 170 CD1 PHE A 10 -6.766 -2.818 -7.244 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.603 -3.768 -6.701 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.290 -4.104 -7.413 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.129 -5.056 -6.868 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.472 -5.222 -7.224 1.00 0.00 C ATOM 0 H PHE A 10 -2.674 -1.679 -7.825 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.253 -0.944 -8.804 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.971 -1.301 -6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.591 -0.638 -6.173 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.399 -1.955 -7.387 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.566 -3.639 -6.427 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.326 -4.233 -7.689 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.498 -5.920 -6.722 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.877 -6.215 -7.353 1.00 0.00 H new ATOM 184 N VAL A 11 -3.627 1.459 -7.221 1.00 0.00 N ATOM 185 CA VAL A 11 -3.641 2.940 -7.048 1.00 0.00 C ATOM 186 C VAL A 11 -3.565 3.616 -8.416 1.00 0.00 C ATOM 187 O VAL A 11 -4.261 4.575 -8.683 1.00 0.00 O ATOM 188 CB VAL A 11 -2.451 3.372 -6.191 1.00 0.00 C ATOM 189 CG1 VAL A 11 -1.171 2.759 -6.752 1.00 0.00 C ATOM 190 CG2 VAL A 11 -2.337 4.898 -6.213 1.00 0.00 C ATOM 0 H VAL A 11 -2.853 0.972 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.565 3.236 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.598 3.032 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.322 3.067 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.252 1.672 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.023 3.100 -7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.489 5.208 -5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.189 5.237 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.251 5.337 -5.814 1.00 0.00 H new ATOM 200 N VAL A 12 -2.729 3.126 -9.289 1.00 0.00 N ATOM 201 CA VAL A 12 -2.623 3.749 -10.636 1.00 0.00 C ATOM 202 C VAL A 12 -3.958 3.603 -11.370 1.00 0.00 C ATOM 203 O VAL A 12 -4.475 4.545 -11.934 1.00 0.00 O ATOM 204 CB VAL A 12 -1.522 3.050 -11.430 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.486 3.599 -12.858 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.172 3.299 -10.754 1.00 0.00 C ATOM 0 H VAL A 12 -2.118 2.325 -9.128 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.381 4.807 -10.533 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.724 1.979 -11.461 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.699 3.097 -13.421 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.447 3.421 -13.341 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.286 4.670 -12.831 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.615 2.801 -11.319 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.027 4.370 -10.722 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.195 2.904 -9.738 1.00 0.00 H new ATOM 216 N GLU A 13 -4.525 2.426 -11.361 1.00 0.00 N ATOM 217 CA GLU A 13 -5.826 2.212 -12.051 1.00 0.00 C ATOM 218 C GLU A 13 -6.949 2.902 -11.274 1.00 0.00 C ATOM 219 O GLU A 13 -7.989 3.221 -11.815 1.00 0.00 O ATOM 220 CB GLU A 13 -6.108 0.716 -12.131 1.00 0.00 C ATOM 221 CG GLU A 13 -5.068 0.050 -13.028 1.00 0.00 C ATOM 222 CD GLU A 13 -5.388 -1.438 -13.169 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.265 -1.905 -12.462 1.00 0.00 O ATOM 224 OE2 GLU A 13 -4.751 -2.087 -13.982 1.00 0.00 O ATOM 0 H GLU A 13 -4.139 1.601 -10.902 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.777 2.634 -13.055 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.080 0.276 -11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.109 0.544 -12.527 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.062 0.525 -14.009 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.072 0.179 -12.605 1.00 0.00 H new ATOM 231 N GLU A 14 -6.754 3.111 -10.003 1.00 0.00 N ATOM 232 CA GLU A 14 -7.814 3.753 -9.176 1.00 0.00 C ATOM 233 C GLU A 14 -8.075 5.188 -9.641 1.00 0.00 C ATOM 234 O GLU A 14 -9.182 5.681 -9.541 1.00 0.00 O ATOM 235 CB GLU A 14 -7.371 3.771 -7.711 1.00 0.00 C ATOM 236 CG GLU A 14 -8.515 4.288 -6.837 1.00 0.00 C ATOM 237 CD GLU A 14 -8.038 4.405 -5.388 1.00 0.00 C ATOM 238 OE1 GLU A 14 -6.879 4.115 -5.142 1.00 0.00 O ATOM 239 OE2 GLU A 14 -8.839 4.783 -4.550 1.00 0.00 O ATOM 0 H GLU A 14 -5.903 2.864 -9.498 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.734 3.179 -9.285 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.083 2.768 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.494 4.407 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.853 5.259 -7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.367 3.611 -6.897 1.00 0.00 H new ATOM 246 N PHE A 15 -7.078 5.874 -10.134 1.00 0.00 N ATOM 247 CA PHE A 15 -7.308 7.282 -10.578 1.00 0.00 C ATOM 248 C PHE A 15 -6.531 7.579 -11.864 1.00 0.00 C ATOM 249 O PHE A 15 -6.988 8.327 -12.706 1.00 0.00 O ATOM 250 CB PHE A 15 -6.853 8.238 -9.472 1.00 0.00 C ATOM 251 CG PHE A 15 -7.269 9.648 -9.820 1.00 0.00 C ATOM 252 CD1 PHE A 15 -8.590 10.059 -9.611 1.00 0.00 C ATOM 253 CD2 PHE A 15 -6.333 10.544 -10.349 1.00 0.00 C ATOM 254 CE1 PHE A 15 -8.976 11.366 -9.931 1.00 0.00 C ATOM 255 CE2 PHE A 15 -6.719 11.852 -10.668 1.00 0.00 C ATOM 256 CZ PHE A 15 -8.040 12.262 -10.460 1.00 0.00 C ATOM 0 H PHE A 15 -6.126 5.527 -10.248 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.371 7.420 -10.777 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.292 7.943 -8.519 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.771 8.186 -9.354 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.312 9.368 -9.203 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.313 10.227 -10.511 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.996 11.683 -9.770 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.997 12.544 -11.075 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.338 13.270 -10.708 1.00 0.00 H new ATOM 266 N LEU A 16 -5.361 7.016 -12.022 1.00 0.00 N ATOM 267 CA LEU A 16 -4.563 7.288 -13.254 1.00 0.00 C ATOM 268 C LEU A 16 -4.323 5.984 -14.019 1.00 0.00 C ATOM 269 O LEU A 16 -3.264 5.395 -13.933 1.00 0.00 O ATOM 270 CB LEU A 16 -3.216 7.886 -12.848 1.00 0.00 C ATOM 271 CG LEU A 16 -3.322 9.411 -12.838 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.247 9.992 -11.918 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.120 9.946 -14.258 1.00 0.00 C ATOM 0 H LEU A 16 -4.925 6.381 -11.353 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.107 7.983 -13.893 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.927 7.524 -11.861 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.440 7.569 -13.544 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.307 9.703 -12.475 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.323 11.079 -11.911 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.390 9.612 -10.906 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.261 9.699 -12.280 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.196 11.033 -14.251 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.135 9.653 -14.621 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.886 9.533 -14.915 1.00 0.00 H new ATOM 285 N PRO A 17 -5.298 5.539 -14.768 1.00 0.00 N ATOM 286 CA PRO A 17 -5.188 4.287 -15.565 1.00 0.00 C ATOM 287 C PRO A 17 -4.374 4.487 -16.848 1.00 0.00 C ATOM 288 O PRO A 17 -3.950 3.539 -17.479 1.00 0.00 O ATOM 289 CB PRO A 17 -6.638 3.936 -15.895 1.00 0.00 C ATOM 290 CG PRO A 17 -7.390 5.227 -15.848 1.00 0.00 C ATOM 291 CD PRO A 17 -6.612 6.181 -14.938 1.00 0.00 C ATOM 0 HA PRO A 17 -4.667 3.502 -15.017 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.714 3.475 -16.880 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.041 3.222 -15.176 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.491 5.648 -16.848 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.398 5.069 -15.465 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.516 7.169 -15.388 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.115 6.315 -13.980 1.00 0.00 H new ATOM 299 N ASP A 18 -4.157 5.713 -17.238 1.00 0.00 N ATOM 300 CA ASP A 18 -3.380 5.978 -18.477 1.00 0.00 C ATOM 301 C ASP A 18 -1.887 6.061 -18.145 1.00 0.00 C ATOM 302 O ASP A 18 -1.072 6.366 -18.993 1.00 0.00 O ATOM 303 CB ASP A 18 -3.840 7.301 -19.081 1.00 0.00 C ATOM 304 CG ASP A 18 -5.272 7.158 -19.597 1.00 0.00 C ATOM 305 OD1 ASP A 18 -5.746 6.036 -19.668 1.00 0.00 O ATOM 306 OD2 ASP A 18 -5.871 8.173 -19.915 1.00 0.00 O ATOM 0 H ASP A 18 -4.487 6.545 -16.748 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.544 5.169 -19.189 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.790 8.091 -18.332 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.176 7.591 -19.896 1.00 0.00 H new ATOM 311 N VAL A 19 -1.525 5.792 -16.919 1.00 0.00 N ATOM 312 CA VAL A 19 -0.085 5.858 -16.532 1.00 0.00 C ATOM 313 C VAL A 19 0.436 4.446 -16.253 1.00 0.00 C ATOM 314 O VAL A 19 -0.203 3.658 -15.584 1.00 0.00 O ATOM 315 CB VAL A 19 0.064 6.710 -15.271 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.547 6.850 -14.922 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.531 8.098 -15.523 1.00 0.00 C ATOM 0 H VAL A 19 -2.164 5.529 -16.169 1.00 0.00 H new ATOM 0 HA VAL A 19 0.488 6.303 -17.345 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.461 6.231 -14.444 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.653 7.457 -14.023 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.974 5.863 -14.746 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.072 7.330 -15.748 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.426 8.707 -14.625 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.004 8.575 -16.349 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.587 8.001 -15.774 1.00 0.00 H new ATOM 327 N ALA A 20 1.594 4.122 -16.759 1.00 0.00 N ATOM 328 CA ALA A 20 2.157 2.764 -16.522 1.00 0.00 C ATOM 329 C ALA A 20 2.625 2.657 -15.059 1.00 0.00 C ATOM 330 O ALA A 20 3.503 3.387 -14.644 1.00 0.00 O ATOM 331 CB ALA A 20 3.358 2.550 -17.447 1.00 0.00 C ATOM 0 H ALA A 20 2.174 4.740 -17.326 1.00 0.00 H new ATOM 0 HA ALA A 20 1.395 2.010 -16.722 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.775 1.557 -17.278 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.038 2.637 -18.485 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.118 3.303 -17.237 1.00 0.00 H new ATOM 337 N PRO A 21 2.064 1.759 -14.275 1.00 0.00 N ATOM 338 CA PRO A 21 2.474 1.596 -12.850 1.00 0.00 C ATOM 339 C PRO A 21 3.991 1.442 -12.707 1.00 0.00 C ATOM 340 O PRO A 21 4.572 1.808 -11.703 1.00 0.00 O ATOM 341 CB PRO A 21 1.775 0.312 -12.400 1.00 0.00 C ATOM 342 CG PRO A 21 0.626 0.122 -13.333 1.00 0.00 C ATOM 343 CD PRO A 21 0.986 0.822 -14.643 1.00 0.00 C ATOM 0 HA PRO A 21 2.203 2.468 -12.254 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.456 -0.538 -12.441 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.431 0.395 -11.369 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.439 -0.938 -13.502 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.286 0.543 -12.910 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.320 0.108 -15.396 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.128 1.348 -15.061 1.00 0.00 H new ATOM 351 N ALA A 22 4.639 0.910 -13.707 1.00 0.00 N ATOM 352 CA ALA A 22 6.117 0.739 -13.633 1.00 0.00 C ATOM 353 C ALA A 22 6.783 2.115 -13.586 1.00 0.00 C ATOM 354 O ALA A 22 7.896 2.263 -13.119 1.00 0.00 O ATOM 355 CB ALA A 22 6.606 -0.022 -14.867 1.00 0.00 C ATOM 0 H ALA A 22 4.208 0.586 -14.573 1.00 0.00 H new ATOM 0 HA ALA A 22 6.375 0.177 -12.735 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.687 -0.147 -14.813 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.129 -1.001 -14.903 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.350 0.539 -15.766 1.00 0.00 H new ATOM 361 N ASP A 23 6.111 3.123 -14.070 1.00 0.00 N ATOM 362 CA ASP A 23 6.702 4.491 -14.061 1.00 0.00 C ATOM 363 C ASP A 23 6.511 5.128 -12.683 1.00 0.00 C ATOM 364 O ASP A 23 6.851 6.274 -12.468 1.00 0.00 O ATOM 365 CB ASP A 23 6.010 5.352 -15.120 1.00 0.00 C ATOM 366 CG ASP A 23 6.708 6.710 -15.211 1.00 0.00 C ATOM 367 OD1 ASP A 23 7.723 6.877 -14.554 1.00 0.00 O ATOM 368 OD2 ASP A 23 6.215 7.560 -15.934 1.00 0.00 O ATOM 0 H ASP A 23 5.176 3.058 -14.472 1.00 0.00 H new ATOM 0 HA ASP A 23 7.767 4.424 -14.283 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.040 4.851 -16.087 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.959 5.488 -14.863 1.00 0.00 H new ATOM 373 N VAL A 24 5.968 4.395 -11.747 1.00 0.00 N ATOM 374 CA VAL A 24 5.756 4.963 -10.383 1.00 0.00 C ATOM 375 C VAL A 24 6.735 4.317 -9.409 1.00 0.00 C ATOM 376 O VAL A 24 6.894 3.113 -9.383 1.00 0.00 O ATOM 377 CB VAL A 24 4.334 4.658 -9.915 1.00 0.00 C ATOM 378 CG1 VAL A 24 4.029 5.467 -8.652 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.340 5.029 -11.017 1.00 0.00 C ATOM 0 H VAL A 24 5.663 3.429 -11.868 1.00 0.00 H new ATOM 0 HA VAL A 24 5.913 6.041 -10.417 1.00 0.00 H new ATOM 0 HB VAL A 24 4.244 3.594 -9.694 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.015 5.250 -8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.736 5.197 -7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.119 6.531 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.326 4.811 -10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.427 6.092 -11.242 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.558 4.449 -11.914 1.00 0.00 H new ATOM 389 N ASP A 25 7.387 5.099 -8.597 1.00 0.00 N ATOM 390 CA ASP A 25 8.340 4.508 -7.623 1.00 0.00 C ATOM 391 C ASP A 25 7.585 4.152 -6.343 1.00 0.00 C ATOM 392 O ASP A 25 7.004 5.003 -5.699 1.00 0.00 O ATOM 393 CB ASP A 25 9.437 5.525 -7.300 1.00 0.00 C ATOM 394 CG ASP A 25 10.273 5.794 -8.552 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.151 5.030 -9.496 1.00 0.00 O ATOM 396 OD2 ASP A 25 11.019 6.758 -8.547 1.00 0.00 O ATOM 0 H ASP A 25 7.302 6.115 -8.566 1.00 0.00 H new ATOM 0 HA ASP A 25 8.793 3.612 -8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.992 6.453 -6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.073 5.147 -6.500 1.00 0.00 H new ATOM 401 N VAL A 26 7.594 2.906 -5.963 1.00 0.00 N ATOM 402 CA VAL A 26 6.883 2.508 -4.721 1.00 0.00 C ATOM 403 C VAL A 26 7.706 2.947 -3.508 1.00 0.00 C ATOM 404 O VAL A 26 7.362 2.669 -2.377 1.00 0.00 O ATOM 405 CB VAL A 26 6.710 0.991 -4.703 1.00 0.00 C ATOM 406 CG1 VAL A 26 5.901 0.553 -5.925 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.086 0.321 -4.737 1.00 0.00 C ATOM 0 H VAL A 26 8.063 2.148 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 26 5.903 2.984 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 26 6.183 0.697 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.778 -0.530 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.921 1.030 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.426 0.847 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.964 -0.762 -4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.612 0.616 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.663 0.631 -3.866 1.00 0.00 H new ATOM 417 N ASP A 27 8.788 3.641 -3.737 1.00 0.00 N ATOM 418 CA ASP A 27 9.630 4.110 -2.607 1.00 0.00 C ATOM 419 C ASP A 27 9.193 5.521 -2.215 1.00 0.00 C ATOM 420 O ASP A 27 9.699 6.104 -1.276 1.00 0.00 O ATOM 421 CB ASP A 27 11.094 4.128 -3.045 1.00 0.00 C ATOM 422 CG ASP A 27 11.577 2.696 -3.280 1.00 0.00 C ATOM 423 OD1 ASP A 27 10.872 1.782 -2.885 1.00 0.00 O ATOM 424 OD2 ASP A 27 12.644 2.537 -3.849 1.00 0.00 O ATOM 0 H ASP A 27 9.124 3.903 -4.664 1.00 0.00 H new ATOM 0 HA ASP A 27 9.517 3.442 -1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.204 4.714 -3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.706 4.608 -2.282 1.00 0.00 H new ATOM 429 N LEU A 28 8.251 6.070 -2.930 1.00 0.00 N ATOM 430 CA LEU A 28 7.766 7.440 -2.611 1.00 0.00 C ATOM 431 C LEU A 28 6.501 7.335 -1.765 1.00 0.00 C ATOM 432 O LEU A 28 5.646 6.506 -2.014 1.00 0.00 O ATOM 433 CB LEU A 28 7.457 8.187 -3.909 1.00 0.00 C ATOM 434 CG LEU A 28 7.042 9.627 -3.592 1.00 0.00 C ATOM 435 CD1 LEU A 28 8.245 10.409 -3.058 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.528 10.297 -4.869 1.00 0.00 C ATOM 0 H LEU A 28 7.794 5.625 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 28 8.532 7.984 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.333 8.186 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.659 7.679 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 28 6.256 9.618 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.944 11.432 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.614 9.933 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.035 10.419 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.231 11.322 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.317 10.302 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.669 9.745 -5.249 1.00 0.00 H new ATOM 448 N ASP A 29 6.373 8.154 -0.761 1.00 0.00 N ATOM 449 CA ASP A 29 5.161 8.076 0.097 1.00 0.00 C ATOM 450 C ASP A 29 3.916 8.329 -0.753 1.00 0.00 C ATOM 451 O ASP A 29 3.895 9.185 -1.615 1.00 0.00 O ATOM 452 CB ASP A 29 5.249 9.120 1.212 1.00 0.00 C ATOM 453 CG ASP A 29 6.408 8.773 2.147 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.904 7.662 2.058 1.00 0.00 O ATOM 455 OD2 ASP A 29 6.781 9.625 2.937 1.00 0.00 O ATOM 0 H ASP A 29 7.051 8.870 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 29 5.097 7.083 0.543 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.397 10.112 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.314 9.150 1.771 1.00 0.00 H new ATOM 460 N LEU A 30 2.886 7.571 -0.517 1.00 0.00 N ATOM 461 CA LEU A 30 1.631 7.723 -1.300 1.00 0.00 C ATOM 462 C LEU A 30 0.862 8.964 -0.842 1.00 0.00 C ATOM 463 O LEU A 30 0.236 9.643 -1.627 1.00 0.00 O ATOM 464 CB LEU A 30 0.767 6.484 -1.075 1.00 0.00 C ATOM 465 CG LEU A 30 -0.054 6.199 -2.331 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.931 4.970 -2.099 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.934 7.407 -2.641 1.00 0.00 C ATOM 0 H LEU A 30 2.860 6.842 0.196 1.00 0.00 H new ATOM 0 HA LEU A 30 1.875 7.834 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.397 5.627 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.105 6.639 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 30 0.614 6.010 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.517 4.767 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.300 4.110 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.603 5.155 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.522 7.208 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.604 7.594 -1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.306 8.282 -2.806 1.00 0.00 H new ATOM 479 N VAL A 31 0.882 9.249 0.424 1.00 0.00 N ATOM 480 CA VAL A 31 0.134 10.429 0.938 1.00 0.00 C ATOM 481 C VAL A 31 0.709 11.723 0.361 1.00 0.00 C ATOM 482 O VAL A 31 -0.017 12.641 0.035 1.00 0.00 O ATOM 483 CB VAL A 31 0.241 10.453 2.456 1.00 0.00 C ATOM 484 CG1 VAL A 31 -0.603 9.320 3.034 1.00 0.00 C ATOM 485 CG2 VAL A 31 1.702 10.262 2.867 1.00 0.00 C ATOM 0 H VAL A 31 1.386 8.714 1.132 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.910 10.353 0.636 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.119 11.410 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.531 9.331 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.643 9.454 2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.238 8.365 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.779 10.279 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.063 9.304 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.306 11.067 2.448 1.00 0.00 H new ATOM 495 N ASP A 32 2.000 11.805 0.224 1.00 0.00 N ATOM 496 CA ASP A 32 2.604 13.042 -0.340 1.00 0.00 C ATOM 497 C ASP A 32 1.947 13.327 -1.687 1.00 0.00 C ATOM 498 O ASP A 32 1.765 14.462 -2.080 1.00 0.00 O ATOM 499 CB ASP A 32 4.109 12.839 -0.532 1.00 0.00 C ATOM 500 CG ASP A 32 4.787 12.727 0.835 1.00 0.00 C ATOM 501 OD1 ASP A 32 4.136 13.024 1.824 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.946 12.347 0.870 1.00 0.00 O ATOM 0 H ASP A 32 2.662 11.072 0.477 1.00 0.00 H new ATOM 0 HA ASP A 32 2.446 13.880 0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.294 11.938 -1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.531 13.674 -1.092 1.00 0.00 H new ATOM 507 N ASN A 33 1.589 12.293 -2.394 1.00 0.00 N ATOM 508 CA ASN A 33 0.939 12.474 -3.718 1.00 0.00 C ATOM 509 C ASN A 33 -0.477 13.026 -3.535 1.00 0.00 C ATOM 510 O ASN A 33 -0.960 13.801 -4.337 1.00 0.00 O ATOM 511 CB ASN A 33 0.868 11.120 -4.416 1.00 0.00 C ATOM 512 CG ASN A 33 2.275 10.666 -4.808 1.00 0.00 C ATOM 513 OD1 ASN A 33 3.198 11.456 -4.822 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.479 9.418 -5.129 1.00 0.00 N ATOM 0 H ASN A 33 1.721 11.323 -2.108 1.00 0.00 H new ATOM 0 HA ASN A 33 1.518 13.177 -4.317 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.409 10.384 -3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.238 11.190 -5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.414 9.105 -5.392 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.704 8.755 -5.117 1.00 0.00 H new ATOM 521 N GLY A 34 -1.147 12.634 -2.488 1.00 0.00 N ATOM 522 CA GLY A 34 -2.534 13.136 -2.256 1.00 0.00 C ATOM 523 C GLY A 34 -3.519 12.313 -3.082 1.00 0.00 C ATOM 524 O GLY A 34 -4.698 12.601 -3.129 1.00 0.00 O ATOM 0 H GLY A 34 -0.796 11.988 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.785 13.067 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.602 14.188 -2.532 1.00 0.00 H new ATOM 528 N VAL A 35 -3.048 11.284 -3.727 1.00 0.00 N ATOM 529 CA VAL A 35 -3.961 10.437 -4.540 1.00 0.00 C ATOM 530 C VAL A 35 -5.016 9.828 -3.617 1.00 0.00 C ATOM 531 O VAL A 35 -6.155 9.638 -3.996 1.00 0.00 O ATOM 532 CB VAL A 35 -3.163 9.323 -5.218 1.00 0.00 C ATOM 533 CG1 VAL A 35 -4.124 8.345 -5.897 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.231 9.932 -6.267 1.00 0.00 C ATOM 0 H VAL A 35 -2.070 10.993 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.444 11.042 -5.307 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.574 8.792 -4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.554 7.551 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.789 7.911 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.714 8.875 -6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.661 9.139 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.821 10.463 -7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.545 10.628 -5.784 1.00 0.00 H new ATOM 544 N ILE A 36 -4.641 9.520 -2.405 1.00 0.00 N ATOM 545 CA ILE A 36 -5.616 8.925 -1.451 1.00 0.00 C ATOM 546 C ILE A 36 -6.538 10.013 -0.901 1.00 0.00 C ATOM 547 O ILE A 36 -6.123 10.881 -0.160 1.00 0.00 O ATOM 548 CB ILE A 36 -4.858 8.272 -0.295 1.00 0.00 C ATOM 549 CG1 ILE A 36 -4.048 7.089 -0.821 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.848 7.768 0.749 1.00 0.00 C ATOM 551 CD1 ILE A 36 -3.133 6.553 0.286 1.00 0.00 C ATOM 0 H ILE A 36 -3.700 9.655 -2.035 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.215 8.177 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.191 9.007 0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.719 6.301 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.452 7.398 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.304 7.303 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.434 8.605 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.514 7.035 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.557 5.709 -0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.452 7.341 0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.738 6.227 1.132 1.00 0.00 H new ATOM 563 N ASP A 37 -7.790 9.960 -1.257 1.00 0.00 N ATOM 564 CA ASP A 37 -8.762 10.968 -0.766 1.00 0.00 C ATOM 565 C ASP A 37 -9.740 10.286 0.193 1.00 0.00 C ATOM 566 O ASP A 37 -9.501 9.190 0.659 1.00 0.00 O ATOM 567 CB ASP A 37 -9.528 11.544 -1.955 1.00 0.00 C ATOM 568 CG ASP A 37 -8.583 12.387 -2.814 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.484 12.658 -2.358 1.00 0.00 O ATOM 570 OD2 ASP A 37 -8.975 12.747 -3.911 1.00 0.00 O ATOM 0 H ASP A 37 -8.184 9.251 -1.875 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.240 11.772 -0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.955 10.737 -2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.359 12.155 -1.604 1.00 0.00 H new ATOM 575 N ALA A 38 -10.841 10.918 0.488 1.00 0.00 N ATOM 576 CA ALA A 38 -11.828 10.292 1.412 1.00 0.00 C ATOM 577 C ALA A 38 -12.421 9.056 0.738 1.00 0.00 C ATOM 578 O ALA A 38 -12.373 7.960 1.264 1.00 0.00 O ATOM 579 CB ALA A 38 -12.944 11.291 1.722 1.00 0.00 C ATOM 0 H ALA A 38 -11.100 11.838 0.131 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.335 10.006 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.666 10.832 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.519 12.177 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.444 11.576 0.797 1.00 0.00 H new ATOM 585 N LEU A 39 -12.950 9.221 -0.441 1.00 0.00 N ATOM 586 CA LEU A 39 -13.513 8.059 -1.169 1.00 0.00 C ATOM 587 C LEU A 39 -12.348 7.176 -1.586 1.00 0.00 C ATOM 588 O LEU A 39 -12.447 5.967 -1.640 1.00 0.00 O ATOM 589 CB LEU A 39 -14.270 8.539 -2.407 1.00 0.00 C ATOM 590 CG LEU A 39 -15.546 9.264 -1.980 1.00 0.00 C ATOM 591 CD1 LEU A 39 -15.195 10.608 -1.335 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.427 9.506 -3.209 1.00 0.00 C ATOM 0 H LEU A 39 -13.015 10.114 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.208 7.507 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.640 9.207 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.518 7.691 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.081 8.649 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.111 11.117 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.569 10.439 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.655 11.226 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.338 10.023 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.885 10.117 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.686 8.550 -3.665 1.00 0.00 H new ATOM 604 N GLY A 40 -11.232 7.789 -1.870 1.00 0.00 N ATOM 605 CA GLY A 40 -10.037 7.013 -2.276 1.00 0.00 C ATOM 606 C GLY A 40 -9.668 6.044 -1.156 1.00 0.00 C ATOM 607 O GLY A 40 -9.357 4.892 -1.391 1.00 0.00 O ATOM 0 H GLY A 40 -11.100 8.800 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.239 6.465 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.204 7.685 -2.482 1.00 0.00 H new ATOM 611 N LEU A 41 -9.710 6.501 0.064 1.00 0.00 N ATOM 612 CA LEU A 41 -9.376 5.613 1.206 1.00 0.00 C ATOM 613 C LEU A 41 -10.416 4.497 1.300 1.00 0.00 C ATOM 614 O LEU A 41 -10.091 3.345 1.513 1.00 0.00 O ATOM 615 CB LEU A 41 -9.383 6.443 2.490 1.00 0.00 C ATOM 616 CG LEU A 41 -8.931 5.581 3.666 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.051 6.417 4.594 1.00 0.00 C ATOM 618 CD2 LEU A 41 -10.160 5.094 4.438 1.00 0.00 C ATOM 0 H LEU A 41 -9.963 7.456 0.318 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.391 5.168 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.721 7.302 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.384 6.833 2.676 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.367 4.724 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.726 5.805 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.179 6.773 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.620 7.270 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.841 4.478 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.720 5.952 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.795 4.505 3.777 1.00 0.00 H new ATOM 630 N LEU A 42 -11.667 4.831 1.137 1.00 0.00 N ATOM 631 CA LEU A 42 -12.728 3.788 1.215 1.00 0.00 C ATOM 632 C LEU A 42 -12.479 2.734 0.138 1.00 0.00 C ATOM 633 O LEU A 42 -12.540 1.545 0.385 1.00 0.00 O ATOM 634 CB LEU A 42 -14.088 4.449 0.967 1.00 0.00 C ATOM 635 CG LEU A 42 -15.204 3.401 1.022 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.830 3.389 2.417 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.270 3.746 -0.019 1.00 0.00 C ATOM 0 H LEU A 42 -11.999 5.778 0.954 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.715 3.316 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.267 5.221 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.089 4.941 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.791 2.415 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.624 2.643 2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.067 3.144 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.246 4.372 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.067 3.003 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.683 4.731 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.821 3.750 -1.012 1.00 0.00 H new ATOM 649 N LYS A 43 -12.203 3.164 -1.054 1.00 0.00 N ATOM 650 CA LYS A 43 -11.955 2.201 -2.157 1.00 0.00 C ATOM 651 C LYS A 43 -10.724 1.350 -1.835 1.00 0.00 C ATOM 652 O LYS A 43 -10.648 0.190 -2.188 1.00 0.00 O ATOM 653 CB LYS A 43 -11.720 2.968 -3.454 1.00 0.00 C ATOM 654 CG LYS A 43 -13.007 3.684 -3.869 1.00 0.00 C ATOM 655 CD LYS A 43 -12.797 4.366 -5.223 1.00 0.00 C ATOM 656 CE LYS A 43 -14.042 5.178 -5.582 1.00 0.00 C ATOM 657 NZ LYS A 43 -15.117 4.908 -4.587 1.00 0.00 N ATOM 0 H LYS A 43 -12.138 4.148 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.821 1.549 -2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.917 3.692 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.403 2.283 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.829 2.970 -3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.284 4.423 -3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.924 5.017 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.602 3.619 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.804 6.242 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.384 4.915 -6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.989 5.393 -4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.292 3.884 -4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.821 5.258 -3.653 1.00 0.00 H new ATOM 671 N VAL A 44 -9.751 1.925 -1.180 1.00 0.00 N ATOM 672 CA VAL A 44 -8.517 1.158 -0.850 1.00 0.00 C ATOM 673 C VAL A 44 -8.856 -0.033 0.048 1.00 0.00 C ATOM 674 O VAL A 44 -8.461 -1.152 -0.215 1.00 0.00 O ATOM 675 CB VAL A 44 -7.535 2.080 -0.124 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.375 1.251 0.433 1.00 0.00 C ATOM 677 CG2 VAL A 44 -6.991 3.118 -1.107 1.00 0.00 C ATOM 0 H VAL A 44 -9.758 2.893 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.069 0.786 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.047 2.586 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.675 1.907 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.761 0.509 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.862 0.746 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.291 3.776 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.478 2.611 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.816 3.708 -1.507 1.00 0.00 H new ATOM 687 N ILE A 45 -9.576 0.199 1.107 1.00 0.00 N ATOM 688 CA ILE A 45 -9.936 -0.914 2.028 1.00 0.00 C ATOM 689 C ILE A 45 -10.912 -1.888 1.358 1.00 0.00 C ATOM 690 O ILE A 45 -10.898 -3.071 1.630 1.00 0.00 O ATOM 691 CB ILE A 45 -10.588 -0.329 3.283 1.00 0.00 C ATOM 692 CG1 ILE A 45 -9.536 0.387 4.140 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.221 -1.455 4.092 1.00 0.00 C ATOM 694 CD1 ILE A 45 -9.339 1.817 3.635 1.00 0.00 C ATOM 0 H ILE A 45 -9.933 1.116 1.377 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.029 -1.460 2.288 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.353 0.389 2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.852 0.401 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.591 -0.155 4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.687 -1.043 4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.977 -1.957 3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.453 -2.172 4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.591 2.320 4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.003 1.794 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.283 2.358 3.698 1.00 0.00 H new ATOM 706 N ALA A 46 -11.782 -1.402 0.515 1.00 0.00 N ATOM 707 CA ALA A 46 -12.783 -2.307 -0.129 1.00 0.00 C ATOM 708 C ALA A 46 -12.110 -3.328 -1.054 1.00 0.00 C ATOM 709 O ALA A 46 -12.378 -4.512 -0.979 1.00 0.00 O ATOM 710 CB ALA A 46 -13.758 -1.463 -0.947 1.00 0.00 C ATOM 0 H ALA A 46 -11.845 -0.421 0.243 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.305 -2.853 0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.493 -2.113 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.268 -0.758 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.210 -0.915 -1.714 1.00 0.00 H new ATOM 716 N TRP A 47 -11.250 -2.894 -1.931 1.00 0.00 N ATOM 717 CA TRP A 47 -10.596 -3.870 -2.851 1.00 0.00 C ATOM 718 C TRP A 47 -9.433 -4.555 -2.140 1.00 0.00 C ATOM 719 O TRP A 47 -9.246 -5.751 -2.245 1.00 0.00 O ATOM 720 CB TRP A 47 -10.077 -3.144 -4.093 1.00 0.00 C ATOM 721 CG TRP A 47 -8.604 -3.366 -4.215 1.00 0.00 C ATOM 722 CD1 TRP A 47 -8.014 -4.536 -4.551 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.531 -2.411 -4.006 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.642 -4.358 -4.550 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.296 -3.063 -4.222 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.513 -1.056 -3.652 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -5.083 -2.391 -4.086 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.295 -0.371 -3.516 1.00 0.00 C ATOM 729 CH2 TRP A 47 -5.081 -1.038 -3.732 1.00 0.00 C ATOM 0 H TRP A 47 -10.973 -1.920 -2.052 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.328 -4.620 -3.150 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.587 -3.512 -4.983 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.291 -2.078 -4.021 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.529 -5.457 -4.782 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.969 -5.094 -4.765 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.443 -0.534 -3.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.151 -2.911 -4.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.293 0.674 -3.244 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.146 -0.508 -3.625 1.00 0.00 H new ATOM 740 N LEU A 48 -8.639 -3.808 -1.429 1.00 0.00 N ATOM 741 CA LEU A 48 -7.479 -4.419 -0.727 1.00 0.00 C ATOM 742 C LEU A 48 -7.965 -5.498 0.243 1.00 0.00 C ATOM 743 O LEU A 48 -7.383 -6.560 0.342 1.00 0.00 O ATOM 744 CB LEU A 48 -6.736 -3.331 0.051 1.00 0.00 C ATOM 745 CG LEU A 48 -5.465 -3.912 0.669 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.444 -4.218 -0.430 1.00 0.00 C ATOM 747 CD2 LEU A 48 -4.873 -2.895 1.646 1.00 0.00 C ATOM 0 H LEU A 48 -8.743 -2.801 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.811 -4.874 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.483 -2.505 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.379 -2.927 0.833 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.707 -4.834 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.540 -4.632 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.867 -4.940 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.197 -3.300 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.966 -3.303 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.634 -1.975 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.598 -2.681 2.432 1.00 0.00 H new ATOM 759 N GLU A 49 -9.024 -5.241 0.960 1.00 0.00 N ATOM 760 CA GLU A 49 -9.534 -6.259 1.918 1.00 0.00 C ATOM 761 C GLU A 49 -10.188 -7.410 1.150 1.00 0.00 C ATOM 762 O GLU A 49 -10.103 -8.557 1.541 1.00 0.00 O ATOM 763 CB GLU A 49 -10.555 -5.608 2.853 1.00 0.00 C ATOM 764 CG GLU A 49 -11.868 -5.383 2.108 1.00 0.00 C ATOM 765 CD GLU A 49 -12.741 -6.636 2.203 1.00 0.00 C ATOM 766 OE1 GLU A 49 -12.237 -7.656 2.642 1.00 0.00 O ATOM 767 OE2 GLU A 49 -13.902 -6.554 1.834 1.00 0.00 O ATOM 0 H GLU A 49 -9.557 -4.372 0.923 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.706 -6.653 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.724 -6.244 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.169 -4.658 3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.395 -4.529 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.668 -5.147 1.063 1.00 0.00 H new ATOM 774 N ASP A 50 -10.847 -7.112 0.063 1.00 0.00 N ATOM 775 CA ASP A 50 -11.514 -8.187 -0.727 1.00 0.00 C ATOM 776 C ASP A 50 -10.486 -9.210 -1.221 1.00 0.00 C ATOM 777 O ASP A 50 -10.751 -10.395 -1.268 1.00 0.00 O ATOM 778 CB ASP A 50 -12.215 -7.559 -1.929 1.00 0.00 C ATOM 779 CG ASP A 50 -13.081 -8.611 -2.625 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.174 -9.711 -2.105 1.00 0.00 O ATOM 781 OD2 ASP A 50 -13.635 -8.299 -3.665 1.00 0.00 O ATOM 0 H ASP A 50 -10.952 -6.170 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.237 -8.697 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.832 -6.721 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.477 -7.161 -2.626 1.00 0.00 H new ATOM 786 N ARG A 51 -9.328 -8.762 -1.615 1.00 0.00 N ATOM 787 CA ARG A 51 -8.294 -9.702 -2.135 1.00 0.00 C ATOM 788 C ARG A 51 -7.871 -10.720 -1.071 1.00 0.00 C ATOM 789 O ARG A 51 -7.619 -11.869 -1.378 1.00 0.00 O ATOM 790 CB ARG A 51 -7.075 -8.906 -2.587 1.00 0.00 C ATOM 791 CG ARG A 51 -7.442 -8.067 -3.811 1.00 0.00 C ATOM 792 CD ARG A 51 -6.194 -7.358 -4.338 1.00 0.00 C ATOM 793 NE ARG A 51 -5.221 -8.370 -4.836 1.00 0.00 N ATOM 794 CZ ARG A 51 -5.349 -8.865 -6.036 1.00 0.00 C ATOM 795 NH1 ARG A 51 -6.333 -8.476 -6.800 1.00 0.00 N ATOM 796 NH2 ARG A 51 -4.495 -9.750 -6.472 1.00 0.00 N ATOM 0 H ARG A 51 -9.051 -7.781 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.723 -10.250 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.729 -8.260 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.255 -9.582 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.866 -8.704 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.205 -7.335 -3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.464 -6.672 -5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.741 -6.761 -3.547 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.454 -8.676 -4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.001 -7.785 -6.459 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.434 -8.863 -7.738 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.727 -10.055 -5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.596 -10.137 -7.410 1.00 0.00 H new ATOM 810 N PHE A 52 -7.768 -10.324 0.169 1.00 0.00 N ATOM 811 CA PHE A 52 -7.336 -11.295 1.210 1.00 0.00 C ATOM 812 C PHE A 52 -8.553 -11.898 1.912 1.00 0.00 C ATOM 813 O PHE A 52 -8.434 -12.829 2.683 1.00 0.00 O ATOM 814 CB PHE A 52 -6.442 -10.576 2.221 1.00 0.00 C ATOM 815 CG PHE A 52 -5.130 -10.233 1.558 1.00 0.00 C ATOM 816 CD1 PHE A 52 -4.072 -11.149 1.589 1.00 0.00 C ATOM 817 CD2 PHE A 52 -4.974 -9.005 0.906 1.00 0.00 C ATOM 818 CE1 PHE A 52 -2.857 -10.837 0.968 1.00 0.00 C ATOM 819 CE2 PHE A 52 -3.759 -8.691 0.285 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.700 -9.607 0.316 1.00 0.00 C ATOM 0 H PHE A 52 -7.962 -9.380 0.502 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.778 -12.106 0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.931 -9.670 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.270 -11.211 3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.193 -12.097 2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.791 -8.299 0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.041 -11.544 0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.638 -7.743 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.763 -9.365 -0.163 1.00 0.00 H new ATOM 830 N GLY A 53 -9.723 -11.387 1.651 1.00 0.00 N ATOM 831 CA GLY A 53 -10.935 -11.946 2.305 1.00 0.00 C ATOM 832 C GLY A 53 -10.930 -11.547 3.775 1.00 0.00 C ATOM 833 O GLY A 53 -11.428 -12.259 4.624 1.00 0.00 O ATOM 0 H GLY A 53 -9.891 -10.608 1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.834 -11.572 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.949 -13.032 2.209 1.00 0.00 H new ATOM 837 N ILE A 54 -10.360 -10.414 4.080 1.00 0.00 N ATOM 838 CA ILE A 54 -10.308 -9.966 5.497 1.00 0.00 C ATOM 839 C ILE A 54 -11.280 -8.804 5.705 1.00 0.00 C ATOM 840 O ILE A 54 -11.561 -8.051 4.799 1.00 0.00 O ATOM 841 CB ILE A 54 -8.884 -9.518 5.820 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.502 -8.353 4.904 1.00 0.00 C ATOM 843 CG2 ILE A 54 -7.920 -10.685 5.599 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.068 -7.916 5.202 1.00 0.00 C ATOM 0 H ILE A 54 -9.928 -9.780 3.408 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.593 -10.785 6.157 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.827 -9.197 6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.592 -8.653 3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.186 -7.518 5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.904 -10.366 5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.197 -11.514 6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.972 -11.008 4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.797 -7.086 4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.993 -7.599 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.390 -8.751 5.028 1.00 0.00 H new ATOM 856 N ALA A 55 -11.802 -8.658 6.894 1.00 0.00 N ATOM 857 CA ALA A 55 -12.761 -7.547 7.150 1.00 0.00 C ATOM 858 C ALA A 55 -12.047 -6.410 7.885 1.00 0.00 C ATOM 859 O ALA A 55 -11.348 -6.625 8.853 1.00 0.00 O ATOM 860 CB ALA A 55 -13.916 -8.061 8.011 1.00 0.00 C ATOM 0 H ALA A 55 -11.606 -9.258 7.695 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.148 -7.178 6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.619 -7.249 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.427 -8.870 7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.526 -8.431 8.959 1.00 0.00 H new ATOM 866 N ALA A 56 -12.224 -5.199 7.431 1.00 0.00 N ATOM 867 CA ALA A 56 -11.562 -4.047 8.104 1.00 0.00 C ATOM 868 C ALA A 56 -12.159 -3.863 9.501 1.00 0.00 C ATOM 869 O ALA A 56 -11.521 -3.352 10.397 1.00 0.00 O ATOM 870 CB ALA A 56 -11.789 -2.778 7.280 1.00 0.00 C ATOM 0 H ALA A 56 -12.798 -4.958 6.623 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.492 -4.239 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.305 -1.934 7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.365 -2.910 6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.858 -2.585 7.197 1.00 0.00 H new ATOM 876 N ASP A 57 -13.383 -4.271 9.688 1.00 0.00 N ATOM 877 CA ASP A 57 -14.030 -4.114 11.021 1.00 0.00 C ATOM 878 C ASP A 57 -13.166 -4.767 12.104 1.00 0.00 C ATOM 879 O ASP A 57 -13.102 -4.300 13.223 1.00 0.00 O ATOM 880 CB ASP A 57 -15.405 -4.780 11.001 1.00 0.00 C ATOM 881 CG ASP A 57 -16.169 -4.416 12.275 1.00 0.00 C ATOM 882 OD1 ASP A 57 -15.684 -3.574 13.013 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.227 -4.984 12.491 1.00 0.00 O ATOM 0 H ASP A 57 -13.965 -4.708 8.973 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.138 -3.052 11.241 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.965 -4.456 10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.295 -5.862 10.927 1.00 0.00 H new ATOM 888 N ASP A 58 -12.511 -5.848 11.785 1.00 0.00 N ATOM 889 CA ASP A 58 -11.664 -6.532 12.804 1.00 0.00 C ATOM 890 C ASP A 58 -10.577 -5.581 13.317 1.00 0.00 C ATOM 891 O ASP A 58 -10.204 -5.624 14.472 1.00 0.00 O ATOM 892 CB ASP A 58 -11.025 -7.784 12.190 1.00 0.00 C ATOM 893 CG ASP A 58 -10.159 -7.403 10.986 1.00 0.00 C ATOM 894 OD1 ASP A 58 -10.038 -6.222 10.712 1.00 0.00 O ATOM 895 OD2 ASP A 58 -9.630 -8.303 10.356 1.00 0.00 O ATOM 0 H ASP A 58 -12.525 -6.288 10.865 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.291 -6.827 13.645 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.417 -8.294 12.937 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.802 -8.483 11.881 1.00 0.00 H new ATOM 900 N VAL A 59 -10.066 -4.724 12.477 1.00 0.00 N ATOM 901 CA VAL A 59 -9.006 -3.776 12.930 1.00 0.00 C ATOM 902 C VAL A 59 -9.290 -2.382 12.367 1.00 0.00 C ATOM 903 O VAL A 59 -9.709 -2.232 11.238 1.00 0.00 O ATOM 904 CB VAL A 59 -7.643 -4.259 12.430 1.00 0.00 C ATOM 905 CG1 VAL A 59 -7.616 -4.219 10.901 1.00 0.00 C ATOM 906 CG2 VAL A 59 -6.545 -3.346 12.981 1.00 0.00 C ATOM 0 H VAL A 59 -10.335 -4.638 11.497 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.001 -3.733 14.019 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.473 -5.280 12.770 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.645 -4.563 10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.398 -4.868 10.506 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.786 -3.198 10.561 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.574 -3.689 12.625 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.716 -2.325 12.640 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.562 -3.373 14.071 1.00 0.00 H new ATOM 916 N GLU A 60 -9.061 -1.358 13.141 1.00 0.00 N ATOM 917 CA GLU A 60 -9.317 0.022 12.640 1.00 0.00 C ATOM 918 C GLU A 60 -8.090 0.517 11.873 1.00 0.00 C ATOM 919 O GLU A 60 -6.964 0.289 12.270 1.00 0.00 O ATOM 920 CB GLU A 60 -9.591 0.953 13.822 1.00 0.00 C ATOM 921 CG GLU A 60 -10.826 0.472 14.576 1.00 0.00 C ATOM 922 CD GLU A 60 -11.151 1.451 15.705 1.00 0.00 C ATOM 923 OE1 GLU A 60 -10.340 2.328 15.954 1.00 0.00 O ATOM 924 OE2 GLU A 60 -12.206 1.308 16.302 1.00 0.00 O ATOM 0 H GLU A 60 -8.709 -1.416 14.096 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.183 0.015 11.978 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.730 0.973 14.490 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.743 1.972 13.467 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.673 0.393 13.894 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.651 -0.524 14.983 1.00 0.00 H new ATOM 931 N LEU A 61 -8.296 1.190 10.774 1.00 0.00 N ATOM 932 CA LEU A 61 -7.147 1.694 9.983 1.00 0.00 C ATOM 933 C LEU A 61 -6.888 3.162 10.327 1.00 0.00 C ATOM 934 O LEU A 61 -7.802 3.955 10.431 1.00 0.00 O ATOM 935 CB LEU A 61 -7.472 1.569 8.494 1.00 0.00 C ATOM 936 CG LEU A 61 -7.653 0.096 8.130 1.00 0.00 C ATOM 937 CD1 LEU A 61 -9.132 -0.283 8.239 1.00 0.00 C ATOM 938 CD2 LEU A 61 -7.171 -0.137 6.696 1.00 0.00 C ATOM 0 H LEU A 61 -9.215 1.411 10.392 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.258 1.109 10.217 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.380 2.125 8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.670 2.005 7.899 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.071 -0.520 8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.258 -1.334 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.476 -0.118 9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.717 0.333 7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.300 -1.187 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.753 0.481 6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.117 0.130 6.619 1.00 0.00 H new ATOM 950 N SER A 62 -5.645 3.528 10.491 1.00 0.00 N ATOM 951 CA SER A 62 -5.314 4.942 10.816 1.00 0.00 C ATOM 952 C SER A 62 -4.632 5.577 9.605 1.00 0.00 C ATOM 953 O SER A 62 -4.042 4.894 8.794 1.00 0.00 O ATOM 954 CB SER A 62 -4.370 4.982 12.017 1.00 0.00 C ATOM 955 OG SER A 62 -3.271 5.834 11.723 1.00 0.00 O ATOM 0 H SER A 62 -4.842 2.904 10.413 1.00 0.00 H new ATOM 0 HA SER A 62 -6.223 5.491 11.059 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.900 5.344 12.898 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.015 3.978 12.248 1.00 0.00 H new ATOM 0 HG SER A 62 -2.665 5.863 12.492 1.00 0.00 H new ATOM 961 N PRO A 63 -4.704 6.871 9.482 1.00 0.00 N ATOM 962 CA PRO A 63 -4.080 7.597 8.343 1.00 0.00 C ATOM 963 C PRO A 63 -2.597 7.244 8.191 1.00 0.00 C ATOM 964 O PRO A 63 -2.023 7.368 7.127 1.00 0.00 O ATOM 965 CB PRO A 63 -4.246 9.083 8.697 1.00 0.00 C ATOM 966 CG PRO A 63 -4.723 9.129 10.115 1.00 0.00 C ATOM 967 CD PRO A 63 -5.378 7.784 10.407 1.00 0.00 C ATOM 0 HA PRO A 63 -4.546 7.334 7.394 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.302 9.616 8.587 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.962 9.563 8.031 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.891 9.309 10.796 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.434 9.943 10.257 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.234 7.484 11.445 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.453 7.814 10.230 1.00 0.00 H new ATOM 975 N GLU A 64 -1.976 6.799 9.250 1.00 0.00 N ATOM 976 CA GLU A 64 -0.539 6.428 9.181 1.00 0.00 C ATOM 977 C GLU A 64 -0.382 5.151 8.366 1.00 0.00 C ATOM 978 O GLU A 64 0.649 4.903 7.777 1.00 0.00 O ATOM 979 CB GLU A 64 -0.010 6.204 10.594 1.00 0.00 C ATOM 980 CG GLU A 64 -0.094 7.503 11.385 1.00 0.00 C ATOM 981 CD GLU A 64 0.513 7.297 12.775 1.00 0.00 C ATOM 982 OE1 GLU A 64 0.804 6.161 13.109 1.00 0.00 O ATOM 983 OE2 GLU A 64 0.677 8.280 13.479 1.00 0.00 O ATOM 0 H GLU A 64 -2.409 6.677 10.166 1.00 0.00 H new ATOM 0 HA GLU A 64 0.025 7.230 8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.590 5.426 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.022 5.856 10.555 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.437 8.296 10.859 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.133 7.820 11.474 1.00 0.00 H new ATOM 990 N HIS A 65 -1.394 4.333 8.329 1.00 0.00 N ATOM 991 CA HIS A 65 -1.296 3.068 7.555 1.00 0.00 C ATOM 992 C HIS A 65 -1.166 3.396 6.072 1.00 0.00 C ATOM 993 O HIS A 65 -0.711 2.593 5.282 1.00 0.00 O ATOM 994 CB HIS A 65 -2.557 2.236 7.779 1.00 0.00 C ATOM 995 CG HIS A 65 -2.791 1.340 6.594 1.00 0.00 C ATOM 996 ND1 HIS A 65 -2.631 -0.038 6.660 1.00 0.00 N ATOM 997 CD2 HIS A 65 -3.186 1.610 5.305 1.00 0.00 C ATOM 998 CE1 HIS A 65 -2.927 -0.538 5.443 1.00 0.00 C ATOM 999 NE2 HIS A 65 -3.269 0.424 4.587 1.00 0.00 N ATOM 0 H HIS A 65 -2.285 4.486 8.802 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.424 2.504 7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.453 1.638 8.684 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.415 2.892 7.926 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.343 -0.574 7.479 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.399 2.593 4.911 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.891 -1.588 5.193 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.561 4.574 5.690 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.463 4.961 4.260 1.00 0.00 C ATOM 1010 C PHE A 66 -0.198 5.789 4.056 1.00 0.00 C ATOM 1011 O PHE A 66 -0.034 6.468 3.062 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.690 5.785 3.872 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.937 5.095 4.371 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.250 5.115 5.736 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.784 4.438 3.470 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.408 4.479 6.199 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.942 3.801 3.934 1.00 0.00 C ATOM 1018 CZ PHE A 66 -6.252 3.824 5.299 1.00 0.00 C ATOM 0 H PHE A 66 -1.948 5.287 6.308 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.420 4.069 3.635 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.619 6.785 4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.735 5.903 2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.598 5.621 6.432 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.544 4.422 2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.649 4.495 7.252 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.595 3.293 3.240 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.146 3.334 5.657 1.00 0.00 H new ATOM 1028 N ARG A 67 0.692 5.734 5.001 1.00 0.00 N ATOM 1029 CA ARG A 67 1.955 6.507 4.900 1.00 0.00 C ATOM 1030 C ARG A 67 2.643 6.218 3.562 1.00 0.00 C ATOM 1031 O ARG A 67 3.242 7.091 2.966 1.00 0.00 O ATOM 1032 CB ARG A 67 2.862 6.082 6.051 1.00 0.00 C ATOM 1033 CG ARG A 67 3.229 4.605 5.881 1.00 0.00 C ATOM 1034 CD ARG A 67 3.275 3.899 7.240 1.00 0.00 C ATOM 1035 NE ARG A 67 4.349 2.871 7.224 1.00 0.00 N ATOM 1036 CZ ARG A 67 4.501 2.069 8.242 1.00 0.00 C ATOM 1037 NH1 ARG A 67 3.713 2.173 9.278 1.00 0.00 N ATOM 1038 NH2 ARG A 67 5.440 1.163 8.226 1.00 0.00 N ATOM 0 H ARG A 67 0.597 5.178 5.851 1.00 0.00 H new ATOM 0 HA ARG A 67 1.747 7.576 4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.764 6.694 6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.357 6.237 7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.499 4.116 5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.198 4.520 5.388 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.461 4.623 8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.313 3.433 7.453 1.00 0.00 H new ATOM 0 HE ARG A 67 4.967 2.793 6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.979 2.881 9.291 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.832 1.546 10.074 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.056 1.081 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.558 0.537 9.022 1.00 0.00 H new ATOM 1052 N SER A 68 2.570 5.006 3.084 1.00 0.00 N ATOM 1053 CA SER A 68 3.230 4.682 1.791 1.00 0.00 C ATOM 1054 C SER A 68 2.711 3.346 1.250 1.00 0.00 C ATOM 1055 O SER A 68 2.283 2.486 1.994 1.00 0.00 O ATOM 1056 CB SER A 68 4.740 4.606 2.011 1.00 0.00 C ATOM 1057 OG SER A 68 5.011 3.708 3.079 1.00 0.00 O ATOM 0 H SER A 68 2.083 4.230 3.532 1.00 0.00 H new ATOM 0 HA SER A 68 3.003 5.460 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.236 4.268 1.101 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.136 5.595 2.242 1.00 0.00 H new ATOM 0 HG SER A 68 4.181 3.264 3.352 1.00 0.00 H new ATOM 1063 N ILE A 69 2.750 3.168 -0.044 1.00 0.00 N ATOM 1064 CA ILE A 69 2.267 1.898 -0.649 1.00 0.00 C ATOM 1065 C ILE A 69 3.053 0.730 -0.057 1.00 0.00 C ATOM 1066 O ILE A 69 2.513 -0.316 0.242 1.00 0.00 O ATOM 1067 CB ILE A 69 2.507 1.946 -2.156 1.00 0.00 C ATOM 1068 CG1 ILE A 69 1.965 3.263 -2.711 1.00 0.00 C ATOM 1069 CG2 ILE A 69 1.781 0.782 -2.820 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.121 4.238 -2.946 1.00 0.00 C ATOM 0 H ILE A 69 3.099 3.856 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 69 1.204 1.769 -0.444 1.00 0.00 H new ATOM 0 HB ILE A 69 3.575 1.874 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.432 3.083 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.248 3.695 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.951 0.814 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.160 -0.159 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.712 0.857 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.731 5.176 -3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.635 4.427 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.822 3.806 -3.661 1.00 0.00 H new ATOM 1082 N ARG A 70 4.329 0.913 0.116 1.00 0.00 N ATOM 1083 CA ARG A 70 5.177 -0.164 0.690 1.00 0.00 C ATOM 1084 C ARG A 70 4.639 -0.549 2.069 1.00 0.00 C ATOM 1085 O ARG A 70 4.555 -1.713 2.414 1.00 0.00 O ATOM 1086 CB ARG A 70 6.606 0.372 0.813 1.00 0.00 C ATOM 1087 CG ARG A 70 6.591 1.594 1.732 1.00 0.00 C ATOM 1088 CD ARG A 70 7.693 2.576 1.320 1.00 0.00 C ATOM 1089 NE ARG A 70 7.749 3.698 2.300 1.00 0.00 N ATOM 1090 CZ ARG A 70 8.666 4.619 2.182 1.00 0.00 C ATOM 1091 NH1 ARG A 70 9.534 4.555 1.209 1.00 0.00 N ATOM 1092 NH2 ARG A 70 8.717 5.603 3.038 1.00 0.00 N ATOM 0 H ARG A 70 4.826 1.772 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 70 5.165 -1.047 0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.265 -0.397 1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.995 0.642 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.619 2.084 1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.738 1.283 2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.655 2.065 1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.496 2.962 0.320 1.00 0.00 H new ATOM 0 HE ARG A 70 7.072 3.746 3.061 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.495 3.785 0.541 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.251 5.275 1.117 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.040 5.652 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.434 6.323 2.946 1.00 0.00 H new ATOM 1106 N SER A 71 4.263 0.418 2.858 1.00 0.00 N ATOM 1107 CA SER A 71 3.719 0.112 4.210 1.00 0.00 C ATOM 1108 C SER A 71 2.401 -0.652 4.074 1.00 0.00 C ATOM 1109 O SER A 71 2.121 -1.565 4.827 1.00 0.00 O ATOM 1110 CB SER A 71 3.470 1.417 4.965 1.00 0.00 C ATOM 1111 OG SER A 71 3.076 1.118 6.298 1.00 0.00 O ATOM 0 H SER A 71 4.309 1.410 2.624 1.00 0.00 H new ATOM 0 HA SER A 71 4.437 -0.498 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.373 2.027 4.968 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.695 1.998 4.465 1.00 0.00 H new ATOM 0 HG SER A 71 2.185 1.489 6.467 1.00 0.00 H new ATOM 1117 N ILE A 72 1.584 -0.285 3.123 1.00 0.00 N ATOM 1118 CA ILE A 72 0.288 -0.982 2.943 1.00 0.00 C ATOM 1119 C ILE A 72 0.533 -2.469 2.684 1.00 0.00 C ATOM 1120 O ILE A 72 -0.094 -3.322 3.280 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.448 -0.369 1.755 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.736 1.108 2.041 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.763 -1.108 1.538 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.356 1.759 0.803 1.00 0.00 C ATOM 0 H ILE A 72 1.764 0.471 2.463 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.314 -0.872 3.845 1.00 0.00 H new ATOM 0 HB ILE A 72 0.170 -0.453 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.413 1.199 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.186 1.623 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.290 -0.671 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.560 -2.160 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.381 -1.022 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.560 2.810 1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.663 1.681 -0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.287 1.251 0.552 1.00 0.00 H new ATOM 1136 N ASP A 73 1.439 -2.790 1.803 1.00 0.00 N ATOM 1137 CA ASP A 73 1.713 -4.225 1.521 1.00 0.00 C ATOM 1138 C ASP A 73 2.146 -4.905 2.817 1.00 0.00 C ATOM 1139 O ASP A 73 1.706 -5.989 3.144 1.00 0.00 O ATOM 1140 CB ASP A 73 2.836 -4.340 0.491 1.00 0.00 C ATOM 1141 CG ASP A 73 2.809 -5.734 -0.138 1.00 0.00 C ATOM 1142 OD1 ASP A 73 2.161 -6.603 0.422 1.00 0.00 O ATOM 1143 OD2 ASP A 73 3.437 -5.911 -1.168 1.00 0.00 O ATOM 0 H ASP A 73 1.998 -2.125 1.269 1.00 0.00 H new ATOM 0 HA ASP A 73 0.815 -4.702 1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.716 -3.579 -0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.800 -4.163 0.967 1.00 0.00 H new ATOM 1148 N ALA A 74 3.005 -4.267 3.562 1.00 0.00 N ATOM 1149 CA ALA A 74 3.470 -4.860 4.843 1.00 0.00 C ATOM 1150 C ALA A 74 2.307 -4.918 5.833 1.00 0.00 C ATOM 1151 O ALA A 74 2.178 -5.849 6.600 1.00 0.00 O ATOM 1152 CB ALA A 74 4.597 -4.004 5.419 1.00 0.00 C ATOM 0 H ALA A 74 3.406 -3.357 3.336 1.00 0.00 H new ATOM 0 HA ALA A 74 3.839 -5.870 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.939 -4.438 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.426 -3.970 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.231 -2.993 5.598 1.00 0.00 H new ATOM 1158 N PHE A 75 1.464 -3.926 5.829 1.00 0.00 N ATOM 1159 CA PHE A 75 0.315 -3.928 6.774 1.00 0.00 C ATOM 1160 C PHE A 75 -0.597 -5.118 6.472 1.00 0.00 C ATOM 1161 O PHE A 75 -0.979 -5.858 7.356 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.476 -2.632 6.616 1.00 0.00 C ATOM 1163 CG PHE A 75 -1.577 -2.587 7.650 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.331 -2.025 8.908 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -2.842 -3.104 7.348 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -2.351 -1.980 9.866 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -3.862 -3.060 8.305 1.00 0.00 C ATOM 1168 CZ PHE A 75 -3.618 -2.499 9.564 1.00 0.00 C ATOM 0 H PHE A 75 1.520 -3.115 5.213 1.00 0.00 H new ATOM 0 HA PHE A 75 0.688 -4.007 7.795 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.185 -1.773 6.734 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.900 -2.572 5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.354 -1.626 9.140 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.031 -3.537 6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.162 -1.546 10.837 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.838 -3.459 8.072 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.405 -2.466 10.302 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.953 -5.308 5.229 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.840 -6.445 4.876 1.00 0.00 C ATOM 1180 C VAL A 76 -1.100 -7.766 5.094 1.00 0.00 C ATOM 1181 O VAL A 76 -1.609 -8.674 5.722 1.00 0.00 O ATOM 1182 CB VAL A 76 -2.240 -6.318 3.408 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -3.011 -7.562 2.989 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -3.126 -5.084 3.227 1.00 0.00 C ATOM 0 H VAL A 76 -0.665 -4.722 4.445 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.729 -6.429 5.507 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.347 -6.216 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.299 -7.476 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.381 -8.442 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.905 -7.660 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.412 -4.992 2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.021 -5.186 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.576 -4.194 3.532 1.00 0.00 H new ATOM 1194 N VAL A 77 0.102 -7.882 4.593 1.00 0.00 N ATOM 1195 CA VAL A 77 0.867 -9.139 4.789 1.00 0.00 C ATOM 1196 C VAL A 77 1.270 -9.253 6.258 1.00 0.00 C ATOM 1197 O VAL A 77 1.174 -10.299 6.867 1.00 0.00 O ATOM 1198 CB VAL A 77 2.119 -9.103 3.915 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.032 -10.261 4.296 1.00 0.00 C ATOM 1200 CG2 VAL A 77 1.719 -9.234 2.443 1.00 0.00 C ATOM 0 H VAL A 77 0.583 -7.159 4.058 1.00 0.00 H new ATOM 0 HA VAL A 77 0.254 -9.997 4.512 1.00 0.00 H new ATOM 0 HB VAL A 77 2.642 -8.159 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.927 -10.239 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.316 -10.170 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.507 -11.204 4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.613 -9.208 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.197 -10.179 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.062 -8.408 2.170 1.00 0.00 H new ATOM 1210 N GLY A 78 1.727 -8.173 6.822 1.00 0.00 N ATOM 1211 CA GLY A 78 2.155 -8.181 8.247 1.00 0.00 C ATOM 1212 C GLY A 78 0.985 -8.589 9.149 1.00 0.00 C ATOM 1213 O GLY A 78 1.172 -9.170 10.201 1.00 0.00 O ATOM 0 H GLY A 78 1.824 -7.274 6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.986 -8.874 8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.516 -7.192 8.532 1.00 0.00 H new ATOM 1217 N ALA A 79 -0.219 -8.271 8.758 1.00 0.00 N ATOM 1218 CA ALA A 79 -1.398 -8.621 9.604 1.00 0.00 C ATOM 1219 C ALA A 79 -1.610 -10.136 9.631 1.00 0.00 C ATOM 1220 O ALA A 79 -1.905 -10.711 10.661 1.00 0.00 O ATOM 1221 CB ALA A 79 -2.646 -7.946 9.035 1.00 0.00 C ATOM 0 H ALA A 79 -0.438 -7.784 7.889 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.216 -8.274 10.621 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.509 -8.199 9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.506 -6.865 9.033 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.814 -8.292 8.015 1.00 0.00 H new ATOM 1227 N THR A 80 -1.465 -10.788 8.513 1.00 0.00 N ATOM 1228 CA THR A 80 -1.664 -12.263 8.485 1.00 0.00 C ATOM 1229 C THR A 80 -0.410 -12.952 9.016 1.00 0.00 C ATOM 1230 O THR A 80 -0.471 -14.004 9.621 1.00 0.00 O ATOM 1231 CB THR A 80 -1.934 -12.713 7.046 1.00 0.00 C ATOM 1232 OG1 THR A 80 -0.769 -12.498 6.261 1.00 0.00 O ATOM 1233 CG2 THR A 80 -3.100 -11.907 6.468 1.00 0.00 C ATOM 0 H THR A 80 -1.218 -10.365 7.619 1.00 0.00 H new ATOM 0 HA THR A 80 -2.515 -12.531 9.111 1.00 0.00 H new ATOM 0 HB THR A 80 -2.190 -13.773 7.036 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.286 -11.716 6.600 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.292 -12.228 5.444 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.992 -12.072 7.073 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.848 -10.847 6.475 1.00 0.00 H new ATOM 1241 N THR A 81 0.732 -12.361 8.791 1.00 0.00 N ATOM 1242 CA THR A 81 2.000 -12.967 9.277 1.00 0.00 C ATOM 1243 C THR A 81 2.837 -11.884 9.961 1.00 0.00 C ATOM 1244 O THR A 81 2.757 -10.730 9.604 1.00 0.00 O ATOM 1245 CB THR A 81 2.766 -13.531 8.076 1.00 0.00 C ATOM 1246 OG1 THR A 81 4.084 -13.886 8.468 1.00 0.00 O ATOM 1247 CG2 THR A 81 2.833 -12.479 6.969 1.00 0.00 C ATOM 0 H THR A 81 0.839 -11.480 8.289 1.00 0.00 H new ATOM 0 HA THR A 81 1.792 -13.767 9.988 1.00 0.00 H new ATOM 0 HB THR A 81 2.248 -14.416 7.707 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.568 -14.248 7.697 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.378 -12.883 6.116 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.823 -12.211 6.660 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.346 -11.592 7.341 1.00 0.00 H new ATOM 1255 N PRO A 82 3.645 -12.237 10.929 1.00 0.00 N ATOM 1256 CA PRO A 82 4.500 -11.245 11.630 1.00 0.00 C ATOM 1257 C PRO A 82 5.141 -10.261 10.635 1.00 0.00 C ATOM 1258 O PRO A 82 5.578 -10.659 9.573 1.00 0.00 O ATOM 1259 CB PRO A 82 5.571 -12.105 12.299 1.00 0.00 C ATOM 1260 CG PRO A 82 4.939 -13.446 12.507 1.00 0.00 C ATOM 1261 CD PRO A 82 3.827 -13.596 11.462 1.00 0.00 C ATOM 0 HA PRO A 82 3.939 -10.632 12.335 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.459 -12.183 11.672 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.888 -11.670 13.247 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.678 -14.240 12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.532 -13.526 13.515 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.111 -14.297 10.677 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.908 -13.974 11.910 1.00 0.00 H new ATOM 1269 N PRO A 83 5.186 -8.987 10.953 1.00 0.00 N ATOM 1270 CA PRO A 83 5.769 -7.966 10.038 1.00 0.00 C ATOM 1271 C PRO A 83 7.263 -8.169 9.794 1.00 0.00 C ATOM 1272 O PRO A 83 8.001 -8.570 10.672 1.00 0.00 O ATOM 1273 CB PRO A 83 5.529 -6.627 10.735 1.00 0.00 C ATOM 1274 CG PRO A 83 5.204 -6.945 12.158 1.00 0.00 C ATOM 1275 CD PRO A 83 4.696 -8.385 12.203 1.00 0.00 C ATOM 0 HA PRO A 83 5.304 -8.028 9.054 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.413 -5.992 10.671 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.711 -6.084 10.262 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.086 -6.830 12.788 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.448 -6.260 12.541 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.079 -8.914 13.075 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.608 -8.421 12.261 1.00 0.00 H new ATOM 1283 N VAL A 84 7.709 -7.883 8.605 1.00 0.00 N ATOM 1284 CA VAL A 84 9.157 -8.044 8.290 1.00 0.00 C ATOM 1285 C VAL A 84 9.818 -6.665 8.251 1.00 0.00 C ATOM 1286 O VAL A 84 9.333 -5.758 7.604 1.00 0.00 O ATOM 1287 CB VAL A 84 9.310 -8.722 6.928 1.00 0.00 C ATOM 1288 CG1 VAL A 84 8.756 -7.806 5.835 1.00 0.00 C ATOM 1289 CG2 VAL A 84 10.791 -8.994 6.659 1.00 0.00 C ATOM 0 H VAL A 84 7.133 -7.544 7.834 1.00 0.00 H new ATOM 0 HA VAL A 84 9.633 -8.658 9.054 1.00 0.00 H new ATOM 0 HB VAL A 84 8.759 -9.663 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.865 -8.290 4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.701 -7.609 6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.306 -6.865 5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.902 -9.477 5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.340 -8.052 6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.188 -9.646 7.437 1.00 0.00 H new ATOM 1299 N GLU A 85 10.925 -6.509 8.930 1.00 0.00 N ATOM 1300 CA GLU A 85 11.637 -5.194 8.937 1.00 0.00 C ATOM 1301 C GLU A 85 10.626 -4.043 8.884 1.00 0.00 C ATOM 1302 O GLU A 85 10.783 -3.104 8.129 1.00 0.00 O ATOM 1303 CB GLU A 85 12.565 -5.112 7.724 1.00 0.00 C ATOM 1304 CG GLU A 85 13.629 -6.208 7.820 1.00 0.00 C ATOM 1305 CD GLU A 85 14.603 -6.077 6.648 1.00 0.00 C ATOM 1306 OE1 GLU A 85 14.323 -5.296 5.754 1.00 0.00 O ATOM 1307 OE2 GLU A 85 15.612 -6.763 6.663 1.00 0.00 O ATOM 0 H GLU A 85 11.370 -7.241 9.484 1.00 0.00 H new ATOM 0 HA GLU A 85 12.220 -5.111 9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.991 -5.228 6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.040 -4.132 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 85 14.167 -6.126 8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.157 -7.190 7.806 1.00 0.00 H new ATOM 1314 N ALA A 86 9.589 -4.108 9.675 1.00 0.00 N ATOM 1315 CA ALA A 86 8.574 -3.015 9.660 1.00 0.00 C ATOM 1316 C ALA A 86 9.274 -1.668 9.854 1.00 0.00 C ATOM 1317 O ALA A 86 10.296 -1.577 10.503 1.00 0.00 O ATOM 1318 CB ALA A 86 7.570 -3.237 10.793 1.00 0.00 C ATOM 0 H ALA A 86 9.401 -4.868 10.329 1.00 0.00 H new ATOM 0 HA ALA A 86 8.049 -3.018 8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.828 -2.439 10.783 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.072 -4.197 10.655 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.094 -3.234 11.749 1.00 0.00 H new ATOM 1324 N LYS A 87 8.731 -0.619 9.294 1.00 0.00 N ATOM 1325 CA LYS A 87 9.372 0.718 9.447 1.00 0.00 C ATOM 1326 C LYS A 87 9.530 1.037 10.935 1.00 0.00 C ATOM 1327 O LYS A 87 10.495 1.649 11.350 1.00 0.00 O ATOM 1328 CB LYS A 87 8.494 1.788 8.791 1.00 0.00 C ATOM 1329 CG LYS A 87 8.408 1.537 7.284 1.00 0.00 C ATOM 1330 CD LYS A 87 7.644 2.685 6.619 1.00 0.00 C ATOM 1331 CE LYS A 87 7.414 2.364 5.140 1.00 0.00 C ATOM 1332 NZ LYS A 87 8.729 2.217 4.454 1.00 0.00 N ATOM 0 H LYS A 87 7.875 -0.631 8.740 1.00 0.00 H new ATOM 0 HA LYS A 87 10.350 0.707 8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.496 1.771 9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.909 2.778 8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.409 1.458 6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.904 0.590 7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.688 2.837 7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.207 3.613 6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.836 1.445 5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.833 3.158 4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.588 1.773 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.161 3.154 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.357 1.621 5.031 1.00 0.00 H new ATOM 1346 N LEU A 88 8.591 0.626 11.742 1.00 0.00 N ATOM 1347 CA LEU A 88 8.689 0.903 13.203 1.00 0.00 C ATOM 1348 C LEU A 88 9.294 -0.309 13.912 1.00 0.00 C ATOM 1349 O LEU A 88 9.007 -1.442 13.579 1.00 0.00 O ATOM 1350 CB LEU A 88 7.293 1.178 13.765 1.00 0.00 C ATOM 1351 CG LEU A 88 6.634 2.309 12.972 1.00 0.00 C ATOM 1352 CD1 LEU A 88 5.281 2.652 13.598 1.00 0.00 C ATOM 1353 CD2 LEU A 88 7.536 3.545 13.004 1.00 0.00 C ATOM 0 H LEU A 88 7.760 0.110 11.453 1.00 0.00 H new ATOM 0 HA LEU A 88 9.324 1.774 13.366 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.683 0.277 13.708 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.361 1.450 14.818 1.00 0.00 H new ATOM 0 HG LEU A 88 6.487 1.990 11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.812 3.458 13.033 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.637 1.773 13.578 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.428 2.971 14.630 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.068 4.352 12.440 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.682 3.862 14.037 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.501 3.303 12.559 1.00 0.00 H new ATOM 1365 N GLN A 89 10.130 -0.082 14.888 1.00 0.00 N ATOM 1366 CA GLN A 89 10.753 -1.223 15.616 1.00 0.00 C ATOM 1367 C GLN A 89 9.832 -1.662 16.757 1.00 0.00 C ATOM 1368 O GLN A 89 8.950 -0.897 17.108 1.00 0.00 O ATOM 1369 CB GLN A 89 12.104 -0.789 16.190 1.00 0.00 C ATOM 1370 CG GLN A 89 13.062 -0.457 15.044 1.00 0.00 C ATOM 1371 CD GLN A 89 14.397 0.022 15.617 1.00 0.00 C ATOM 1372 OE1 GLN A 89 14.481 0.379 16.775 1.00 0.00 O ATOM 1373 NE2 GLN A 89 15.451 0.044 14.848 1.00 0.00 N ATOM 1374 OXT GLN A 89 10.025 -2.757 17.259 1.00 0.00 O ATOM 0 H GLN A 89 10.408 0.844 15.213 1.00 0.00 H new ATOM 0 HA GLN A 89 10.903 -2.054 14.927 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.975 0.081 16.834 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.521 -1.584 16.808 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.217 -1.337 14.419 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.630 0.315 14.407 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.379 -0.256 13.876 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.347 0.361 15.219 1.00 0.00 H new TER 1383 GLN A 89