USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 674 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 61 THR OG1 : rot 180:sc= 0.0304 USER MOD Set 1.2: A 62 HIS :FLIP no HD1:sc= -0.352 F(o=-1.4,f=-0.32) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 23 THR OG1 : rot 168:sc= 0.104 USER MOD Set 3.2: A 34 SER OG : rot 162:sc= 0.137 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0682 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -173:sc= 0 (180deg=-0.046) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0918 F(o=-1.2,f=-0.092) USER MOD Single : A 10 CYS SG : rot 32:sc= 0.0451 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.229) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.428 K(o=-0.43,f=-2.8!) USER MOD Single : A 33 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0696 X(o=-0.07,f=-0.0013) USER MOD Single : A 48 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 56 ASN : amide:sc= -0.0563 K(o=-0.056,f=-5.4!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -43:sc= -0.342! USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.843 K(o=-0.84,f=-2.8!) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.265) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0121) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.204 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.872 F(o=-1.6,f=-0.87) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.527 6.175 -12.095 1.00 0.00 N ATOM 2 CA GLY A 1 10.808 6.480 -10.665 1.00 0.00 C ATOM 3 C GLY A 1 12.290 6.470 -10.351 1.00 0.00 C ATOM 4 O GLY A 1 12.887 5.408 -10.174 1.00 0.00 O ATOM 0 H1 GLY A 1 9.500 6.194 -12.259 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.987 6.886 -12.699 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.897 5.231 -12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.394 7.457 -10.417 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.301 5.750 -10.034 1.00 0.00 H new ATOM 10 N SER A 2 12.886 7.656 -10.280 1.00 0.00 N ATOM 11 CA SER A 2 14.309 7.781 -9.985 1.00 0.00 C ATOM 12 C SER A 2 14.537 8.686 -8.778 1.00 0.00 C ATOM 13 O SER A 2 13.711 9.544 -8.468 1.00 0.00 O ATOM 14 CB SER A 2 15.057 8.333 -11.200 1.00 0.00 C ATOM 15 OG SER A 2 16.355 8.779 -10.841 1.00 0.00 O ATOM 0 H SER A 2 12.406 8.544 -10.423 1.00 0.00 H new ATOM 0 HA SER A 2 14.694 6.789 -9.750 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.133 7.561 -11.966 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.493 9.158 -11.634 1.00 0.00 H new ATOM 0 HG SER A 2 16.813 9.125 -11.635 1.00 0.00 H new ATOM 21 N HIS A 3 15.663 8.488 -8.102 1.00 0.00 N ATOM 22 CA HIS A 3 15.999 9.287 -6.928 1.00 0.00 C ATOM 23 C HIS A 3 16.397 10.704 -7.329 1.00 0.00 C ATOM 24 O HIS A 3 17.543 11.116 -7.146 1.00 0.00 O ATOM 25 CB HIS A 3 17.135 8.624 -6.145 1.00 0.00 C ATOM 26 CG HIS A 3 17.023 8.804 -4.661 1.00 0.00 C ATOM 27 ND1 HIS A 3 17.572 9.874 -3.988 1.00 0.00 N ATOM 28 CD2 HIS A 3 16.418 8.039 -3.721 1.00 0.00 C ATOM 29 CE1 HIS A 3 17.311 9.760 -2.698 1.00 0.00 C ATOM 30 NE2 HIS A 3 16.612 8.656 -2.510 1.00 0.00 N ATOM 0 H HIS A 3 16.358 7.782 -8.346 1.00 0.00 H new ATOM 0 HA HIS A 3 15.115 9.346 -6.292 1.00 0.00 H new ATOM 0 HB2 HIS A 3 17.150 7.558 -6.374 1.00 0.00 H new ATOM 0 HB3 HIS A 3 18.086 9.035 -6.482 1.00 0.00 H new ATOM 0 HD2 HIS A 3 15.883 7.116 -3.892 1.00 0.00 H new ATOM 0 HE1 HIS A 3 17.617 10.452 -1.928 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.271 8.316 -1.611 1.00 0.00 H new ATOM 39 N MET A 4 15.443 11.447 -7.881 1.00 0.00 N ATOM 40 CA MET A 4 15.693 12.818 -8.310 1.00 0.00 C ATOM 41 C MET A 4 14.894 13.807 -7.464 1.00 0.00 C ATOM 42 O MET A 4 15.363 14.906 -7.170 1.00 0.00 O ATOM 43 CB MET A 4 15.332 12.987 -9.787 1.00 0.00 C ATOM 44 CG MET A 4 15.666 14.363 -10.341 1.00 0.00 C ATOM 45 SD MET A 4 15.812 14.370 -12.139 1.00 0.00 S ATOM 46 CE MET A 4 17.444 13.663 -12.349 1.00 0.00 C ATOM 0 H MET A 4 14.489 11.122 -8.042 1.00 0.00 H new ATOM 0 HA MET A 4 16.755 13.026 -8.176 1.00 0.00 H new ATOM 0 HB2 MET A 4 15.859 12.232 -10.370 1.00 0.00 H new ATOM 0 HB3 MET A 4 14.266 12.802 -9.915 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.892 15.069 -10.040 1.00 0.00 H new ATOM 0 HG3 MET A 4 16.602 14.710 -9.903 1.00 0.00 H new ATOM 0 HE1 MET A 4 17.731 13.716 -13.399 1.00 0.00 H new ATOM 0 HE2 MET A 4 18.162 14.221 -11.748 1.00 0.00 H new ATOM 0 HE3 MET A 4 17.433 12.622 -12.028 1.00 0.00 H new ATOM 56 N GLY A 5 13.688 13.406 -7.077 1.00 0.00 N ATOM 57 CA GLY A 5 12.846 14.270 -6.270 1.00 0.00 C ATOM 58 C GLY A 5 11.439 13.726 -6.116 1.00 0.00 C ATOM 59 O GLY A 5 10.799 13.922 -5.084 1.00 0.00 O ATOM 0 H GLY A 5 13.279 12.500 -7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 5 13.295 14.393 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.802 15.259 -6.726 1.00 0.00 H new ATOM 63 N LEU A 6 10.955 13.042 -7.148 1.00 0.00 N ATOM 64 CA LEU A 6 9.614 12.468 -7.124 1.00 0.00 C ATOM 65 C LEU A 6 9.641 11.006 -7.557 1.00 0.00 C ATOM 66 O LEU A 6 9.920 10.696 -8.715 1.00 0.00 O ATOM 67 CB LEU A 6 8.680 13.265 -8.037 1.00 0.00 C ATOM 68 CG LEU A 6 7.229 13.359 -7.555 1.00 0.00 C ATOM 69 CD1 LEU A 6 6.911 14.771 -7.086 1.00 0.00 C ATOM 70 CD2 LEU A 6 6.270 12.934 -8.657 1.00 0.00 C ATOM 0 H LEU A 6 11.471 12.872 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 6 9.242 12.519 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.077 14.274 -8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.689 12.810 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 6 7.104 12.681 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.876 14.818 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.574 15.039 -6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.055 15.469 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.244 13.008 -8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.397 13.585 -9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.480 11.904 -8.945 1.00 0.00 H new ATOM 82 N VAL A 7 9.345 10.111 -6.620 1.00 0.00 N ATOM 83 CA VAL A 7 9.335 8.681 -6.904 1.00 0.00 C ATOM 84 C VAL A 7 7.973 8.069 -6.593 1.00 0.00 C ATOM 85 O VAL A 7 7.569 7.988 -5.433 1.00 0.00 O ATOM 86 CB VAL A 7 10.414 7.938 -6.098 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.522 6.490 -6.553 1.00 0.00 C ATOM 88 CG2 VAL A 7 11.756 8.645 -6.222 1.00 0.00 C ATOM 0 H VAL A 7 9.109 10.351 -5.657 1.00 0.00 H new ATOM 0 HA VAL A 7 9.548 8.570 -7.967 1.00 0.00 H new ATOM 0 HB VAL A 7 10.122 7.943 -5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.291 5.982 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.565 5.990 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.788 6.460 -7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.507 8.105 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.056 8.675 -7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.668 9.662 -5.840 1.00 0.00 H new ATOM 98 N GLN A 8 7.270 7.642 -7.637 1.00 0.00 N ATOM 99 CA GLN A 8 5.952 7.038 -7.475 1.00 0.00 C ATOM 100 C GLN A 8 5.929 5.624 -8.050 1.00 0.00 C ATOM 101 O GLN A 8 6.574 5.344 -9.060 1.00 0.00 O ATOM 102 CB GLN A 8 4.886 7.896 -8.158 1.00 0.00 C ATOM 103 CG GLN A 8 3.575 7.963 -7.393 1.00 0.00 C ATOM 104 CD GLN A 8 2.487 8.682 -8.164 1.00 0.00 C ATOM 105 OE1 GLN A 8 2.075 9.841 -7.666 1.00 0.00 O flip ATOM 106 NE2 GLN A 8 2.020 8.200 -9.197 1.00 0.00 N flip ATOM 0 H GLN A 8 7.590 7.703 -8.603 1.00 0.00 H new ATOM 0 HA GLN A 8 5.734 6.982 -6.409 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.273 8.907 -8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.695 7.498 -9.155 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.242 6.951 -7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.739 8.471 -6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.366 7.306 -9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.287 8.695 -9.705 1.00 0.00 H new ATOM 115 N ARG A 9 5.181 4.739 -7.399 1.00 0.00 N ATOM 116 CA ARG A 9 5.073 3.355 -7.847 1.00 0.00 C ATOM 117 C ARG A 9 3.701 2.780 -7.510 1.00 0.00 C ATOM 118 O ARG A 9 3.105 3.129 -6.492 1.00 0.00 O ATOM 119 CB ARG A 9 6.171 2.504 -7.203 1.00 0.00 C ATOM 120 CG ARG A 9 6.840 1.543 -8.172 1.00 0.00 C ATOM 121 CD ARG A 9 8.222 1.135 -7.685 1.00 0.00 C ATOM 122 NE ARG A 9 8.186 -0.105 -6.913 1.00 0.00 N ATOM 123 CZ ARG A 9 9.154 -0.493 -6.086 1.00 0.00 C ATOM 124 NH1 ARG A 9 10.236 0.260 -5.921 1.00 0.00 N ATOM 125 NH2 ARG A 9 9.041 -1.634 -5.422 1.00 0.00 N ATOM 0 H ARG A 9 4.641 4.955 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 9 5.197 3.337 -8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.927 3.163 -6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.742 1.935 -6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.219 0.656 -8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.922 2.011 -9.153 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.886 1.010 -8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.640 1.933 -7.071 1.00 0.00 H new ATOM 0 HE ARG A 9 7.370 -0.709 -7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.328 1.140 -6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.975 -0.042 -5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.212 -2.215 -5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.783 -1.931 -4.788 1.00 0.00 H new ATOM 139 N CYS A 10 3.207 1.897 -8.371 1.00 0.00 N ATOM 140 CA CYS A 10 1.905 1.273 -8.165 1.00 0.00 C ATOM 141 C CYS A 10 2.062 -0.188 -7.755 1.00 0.00 C ATOM 142 O CYS A 10 2.882 -0.915 -8.314 1.00 0.00 O ATOM 143 CB CYS A 10 1.061 1.371 -9.437 1.00 0.00 C ATOM 144 SG CYS A 10 1.875 0.721 -10.915 1.00 0.00 S ATOM 0 H CYS A 10 3.689 1.597 -9.219 1.00 0.00 H new ATOM 0 HA CYS A 10 1.398 1.805 -7.360 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.127 0.831 -9.283 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.801 2.416 -9.608 1.00 0.00 H new ATOM 0 HG CYS A 10 2.658 -0.262 -10.582 1.00 0.00 H new ATOM 150 N VAL A 11 1.268 -0.610 -6.776 1.00 0.00 N ATOM 151 CA VAL A 11 1.318 -1.985 -6.292 1.00 0.00 C ATOM 152 C VAL A 11 -0.085 -2.541 -6.070 1.00 0.00 C ATOM 153 O VAL A 11 -0.892 -1.948 -5.355 1.00 0.00 O ATOM 154 CB VAL A 11 2.112 -2.088 -4.976 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.325 -3.544 -4.593 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.443 -1.361 -5.098 1.00 0.00 C ATOM 0 H VAL A 11 0.583 -0.020 -6.303 1.00 0.00 H new ATOM 0 HA VAL A 11 1.822 -2.572 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 11 1.534 -1.610 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.888 -3.596 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.359 -4.031 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.882 -4.050 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.990 -1.444 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.029 -1.808 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.264 -0.309 -5.322 1.00 0.00 H new ATOM 166 N ILE A 12 -0.367 -3.683 -6.689 1.00 0.00 N ATOM 167 CA ILE A 12 -1.672 -4.319 -6.560 1.00 0.00 C ATOM 168 C ILE A 12 -1.612 -5.505 -5.603 1.00 0.00 C ATOM 169 O ILE A 12 -1.039 -6.546 -5.924 1.00 0.00 O ATOM 170 CB ILE A 12 -2.201 -4.802 -7.924 1.00 0.00 C ATOM 171 CG1 ILE A 12 -2.108 -3.680 -8.962 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.636 -5.292 -7.794 1.00 0.00 C ATOM 173 CD1 ILE A 12 -1.492 -4.118 -10.272 1.00 0.00 C ATOM 0 H ILE A 12 0.291 -4.186 -7.284 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.352 -3.566 -6.162 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.582 -5.634 -8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.107 -3.289 -9.153 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.519 -2.861 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.995 -5.630 -8.766 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.675 -6.119 -7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.267 -4.478 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.458 -3.272 -10.959 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.480 -4.482 -10.095 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.093 -4.916 -10.708 1.00 0.00 H new ATOM 185 N ILE A 13 -2.205 -5.340 -4.425 1.00 0.00 N ATOM 186 CA ILE A 13 -2.217 -6.396 -3.421 1.00 0.00 C ATOM 187 C ILE A 13 -3.408 -7.328 -3.619 1.00 0.00 C ATOM 188 O ILE A 13 -4.525 -6.877 -3.884 1.00 0.00 O ATOM 189 CB ILE A 13 -2.267 -5.816 -1.994 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.215 -4.717 -1.829 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.054 -6.919 -0.967 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.768 -3.321 -2.008 1.00 0.00 C ATOM 0 H ILE A 13 -2.683 -4.485 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.292 -6.959 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.251 -5.378 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.769 -4.798 -0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.416 -4.878 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.092 -6.494 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.836 -7.671 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.081 -7.383 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.967 -2.593 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.189 -3.222 -3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.547 -3.140 -1.267 1.00 0.00 H new ATOM 204 N GLN A 14 -3.165 -8.627 -3.488 1.00 0.00 N ATOM 205 CA GLN A 14 -4.218 -9.623 -3.653 1.00 0.00 C ATOM 206 C GLN A 14 -4.573 -10.266 -2.314 1.00 0.00 C ATOM 207 O GLN A 14 -3.695 -10.549 -1.499 1.00 0.00 O ATOM 208 CB GLN A 14 -3.781 -10.698 -4.648 1.00 0.00 C ATOM 209 CG GLN A 14 -3.363 -10.141 -6.000 1.00 0.00 C ATOM 210 CD GLN A 14 -1.891 -10.367 -6.294 1.00 0.00 C ATOM 211 OE1 GLN A 14 -1.045 -9.547 -5.941 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.582 -11.483 -6.943 1.00 0.00 N ATOM 0 H GLN A 14 -2.248 -9.016 -3.268 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.103 -9.119 -4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.949 -11.259 -4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.600 -11.403 -4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.962 -10.608 -6.782 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.576 -9.072 -6.030 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.318 -12.135 -7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.609 -11.689 -7.169 1.00 0.00 H new ATOM 221 N LYS A 15 -5.863 -10.492 -2.097 1.00 0.00 N ATOM 222 CA LYS A 15 -6.334 -11.101 -0.858 1.00 0.00 C ATOM 223 C LYS A 15 -5.988 -12.585 -0.816 1.00 0.00 C ATOM 224 O LYS A 15 -6.032 -13.273 -1.837 1.00 0.00 O ATOM 225 CB LYS A 15 -7.846 -10.914 -0.713 1.00 0.00 C ATOM 226 CG LYS A 15 -8.407 -11.479 0.582 1.00 0.00 C ATOM 227 CD LYS A 15 -9.582 -10.657 1.086 1.00 0.00 C ATOM 228 CE LYS A 15 -10.909 -11.340 0.793 1.00 0.00 C ATOM 229 NZ LYS A 15 -12.064 -10.565 1.325 1.00 0.00 N ATOM 0 H LYS A 15 -6.602 -10.263 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.833 -10.605 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.079 -9.851 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.345 -11.393 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.724 -12.510 0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.624 -11.500 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.483 -10.499 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.567 -9.673 0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.022 -11.466 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.908 -12.337 1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.936 -10.869 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.153 -10.733 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.910 -9.551 1.153 1.00 0.00 H new ATOM 243 N ASP A 16 -5.641 -13.074 0.370 1.00 0.00 N ATOM 244 CA ASP A 16 -5.287 -14.477 0.546 1.00 0.00 C ATOM 245 C ASP A 16 -6.348 -15.209 1.360 1.00 0.00 C ATOM 246 O ASP A 16 -7.412 -14.659 1.649 1.00 0.00 O ATOM 247 CB ASP A 16 -3.925 -14.599 1.234 1.00 0.00 C ATOM 248 CG ASP A 16 -2.858 -13.764 0.555 1.00 0.00 C ATOM 249 OD1 ASP A 16 -2.813 -12.540 0.803 1.00 0.00 O ATOM 250 OD2 ASP A 16 -2.064 -14.334 -0.224 1.00 0.00 O ATOM 0 H ASP A 16 -5.597 -12.518 1.224 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.231 -14.937 -0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.018 -14.289 2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.616 -15.644 1.239 1.00 0.00 H new ATOM 255 N ASP A 17 -6.053 -16.451 1.728 1.00 0.00 N ATOM 256 CA ASP A 17 -6.983 -17.258 2.510 1.00 0.00 C ATOM 257 C ASP A 17 -7.260 -16.611 3.863 1.00 0.00 C ATOM 258 O ASP A 17 -8.353 -16.747 4.414 1.00 0.00 O ATOM 259 CB ASP A 17 -6.424 -18.668 2.711 1.00 0.00 C ATOM 260 CG ASP A 17 -6.470 -19.494 1.440 1.00 0.00 C ATOM 261 OD1 ASP A 17 -7.504 -19.449 0.739 1.00 0.00 O ATOM 262 OD2 ASP A 17 -5.475 -20.188 1.146 1.00 0.00 O ATOM 0 H ASP A 17 -5.178 -16.921 1.498 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.921 -17.322 1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.394 -18.601 3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.993 -19.174 3.491 1.00 0.00 H new ATOM 267 N ASN A 18 -6.266 -15.907 4.391 1.00 0.00 N ATOM 268 CA ASN A 18 -6.403 -15.240 5.681 1.00 0.00 C ATOM 269 C ASN A 18 -6.791 -13.776 5.498 1.00 0.00 C ATOM 270 O ASN A 18 -7.546 -13.218 6.294 1.00 0.00 O ATOM 271 CB ASN A 18 -5.097 -15.338 6.471 1.00 0.00 C ATOM 272 CG ASN A 18 -4.686 -16.774 6.733 1.00 0.00 C ATOM 273 OD1 ASN A 18 -5.527 -17.637 6.982 1.00 0.00 O ATOM 274 ND2 ASN A 18 -3.384 -17.036 6.674 1.00 0.00 N ATOM 0 H ASN A 18 -5.356 -15.783 3.946 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.195 -15.741 6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.304 -14.831 5.921 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.210 -14.816 7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.047 -17.984 6.839 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.722 -16.289 6.464 1.00 0.00 H new ATOM 281 N GLY A 19 -6.269 -13.158 4.442 1.00 0.00 N ATOM 282 CA GLY A 19 -6.571 -11.765 4.171 1.00 0.00 C ATOM 283 C GLY A 19 -5.323 -10.917 4.030 1.00 0.00 C ATOM 284 O GLY A 19 -4.205 -11.419 4.160 1.00 0.00 O ATOM 0 H GLY A 19 -5.642 -13.598 3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.159 -11.696 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.188 -11.367 4.977 1.00 0.00 H new ATOM 288 N PHE A 20 -5.511 -9.629 3.764 1.00 0.00 N ATOM 289 CA PHE A 20 -4.391 -8.710 3.604 1.00 0.00 C ATOM 290 C PHE A 20 -3.555 -8.643 4.878 1.00 0.00 C ATOM 291 O PHE A 20 -3.993 -8.102 5.892 1.00 0.00 O ATOM 292 CB PHE A 20 -4.898 -7.313 3.239 1.00 0.00 C ATOM 293 CG PHE A 20 -5.889 -7.311 2.110 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.500 -7.671 0.830 1.00 0.00 C ATOM 295 CD2 PHE A 20 -7.208 -6.949 2.328 1.00 0.00 C ATOM 296 CE1 PHE A 20 -6.410 -7.671 -0.210 1.00 0.00 C ATOM 297 CE2 PHE A 20 -8.122 -6.946 1.292 1.00 0.00 C ATOM 298 CZ PHE A 20 -7.722 -7.308 0.021 1.00 0.00 C ATOM 0 H PHE A 20 -6.429 -9.198 3.655 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.761 -9.083 2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.359 -6.862 4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.049 -6.686 2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.475 -7.955 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.526 -6.665 3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.095 -7.955 -1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.147 -6.661 1.476 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.434 -7.307 -0.791 1.00 0.00 H new ATOM 308 N GLY A 21 -2.349 -9.199 4.818 1.00 0.00 N ATOM 309 CA GLY A 21 -1.471 -9.192 5.972 1.00 0.00 C ATOM 310 C GLY A 21 -0.935 -7.809 6.286 1.00 0.00 C ATOM 311 O GLY A 21 -0.779 -7.446 7.452 1.00 0.00 O ATOM 0 H GLY A 21 -1.965 -9.654 3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.012 -9.574 6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.636 -9.870 5.793 1.00 0.00 H new ATOM 315 N LEU A 22 -0.654 -7.033 5.244 1.00 0.00 N ATOM 316 CA LEU A 22 -0.134 -5.683 5.414 1.00 0.00 C ATOM 317 C LEU A 22 -1.104 -4.820 6.213 1.00 0.00 C ATOM 318 O LEU A 22 -2.305 -4.802 5.940 1.00 0.00 O ATOM 319 CB LEU A 22 0.134 -5.041 4.050 1.00 0.00 C ATOM 320 CG LEU A 22 -1.110 -4.801 3.193 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.627 -3.384 3.388 1.00 0.00 C ATOM 322 CD2 LEU A 22 -0.804 -5.060 1.726 1.00 0.00 C ATOM 0 H LEU A 22 -0.778 -7.317 4.272 1.00 0.00 H new ATOM 0 HA LEU A 22 0.803 -5.750 5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.638 -4.087 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.822 -5.678 3.494 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.887 -5.497 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.512 -3.231 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.885 -3.232 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.855 -2.672 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.700 -4.884 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.012 -4.388 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.481 -6.093 1.599 1.00 0.00 H new ATOM 334 N THR A 23 -0.577 -4.106 7.203 1.00 0.00 N ATOM 335 CA THR A 23 -1.397 -3.240 8.043 1.00 0.00 C ATOM 336 C THR A 23 -1.176 -1.773 7.689 1.00 0.00 C ATOM 337 O THR A 23 -0.038 -1.327 7.535 1.00 0.00 O ATOM 338 CB THR A 23 -1.078 -3.475 9.519 1.00 0.00 C ATOM 339 OG1 THR A 23 -0.606 -4.795 9.726 1.00 0.00 O ATOM 340 CG2 THR A 23 -2.271 -3.266 10.429 1.00 0.00 C ATOM 0 H THR A 23 0.414 -4.110 7.443 1.00 0.00 H new ATOM 0 HA THR A 23 -2.444 -3.485 7.863 1.00 0.00 H new ATOM 0 HB THR A 23 -0.315 -2.739 9.771 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.228 -4.870 10.627 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.977 -3.449 11.463 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.629 -2.241 10.329 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.066 -3.957 10.151 1.00 0.00 H new ATOM 348 N VAL A 24 -2.268 -1.029 7.563 1.00 0.00 N ATOM 349 CA VAL A 24 -2.193 0.390 7.230 1.00 0.00 C ATOM 350 C VAL A 24 -2.722 1.251 8.371 1.00 0.00 C ATOM 351 O VAL A 24 -3.622 0.843 9.106 1.00 0.00 O ATOM 352 CB VAL A 24 -2.991 0.707 5.951 1.00 0.00 C ATOM 353 CG1 VAL A 24 -2.373 0.013 4.748 1.00 0.00 C ATOM 354 CG2 VAL A 24 -4.448 0.305 6.117 1.00 0.00 C ATOM 0 H VAL A 24 -3.216 -1.384 7.686 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.141 0.621 7.062 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.952 1.783 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.951 0.250 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.347 0.356 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.377 -1.065 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.996 0.537 5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.510 -0.765 6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.884 0.855 6.951 1.00 0.00 H new ATOM 364 N SER A 25 -2.156 2.445 8.515 1.00 0.00 N ATOM 365 CA SER A 25 -2.572 3.364 9.569 1.00 0.00 C ATOM 366 C SER A 25 -2.410 4.814 9.121 1.00 0.00 C ATOM 367 O SER A 25 -1.417 5.170 8.487 1.00 0.00 O ATOM 368 CB SER A 25 -1.759 3.118 10.840 1.00 0.00 C ATOM 369 OG SER A 25 -2.064 4.079 11.835 1.00 0.00 O ATOM 0 H SER A 25 -1.410 2.799 7.917 1.00 0.00 H new ATOM 0 HA SER A 25 -3.626 3.182 9.780 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.967 2.118 11.220 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.695 3.156 10.608 1.00 0.00 H new ATOM 0 HG SER A 25 -1.532 3.898 12.638 1.00 0.00 H new ATOM 375 N GLY A 26 -3.391 5.644 9.457 1.00 0.00 N ATOM 376 CA GLY A 26 -3.339 7.045 9.082 1.00 0.00 C ATOM 377 C GLY A 26 -4.668 7.747 9.280 1.00 0.00 C ATOM 378 O GLY A 26 -5.656 7.414 8.626 1.00 0.00 O ATOM 0 H GLY A 26 -4.222 5.372 9.983 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.574 7.548 9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.040 7.128 8.037 1.00 0.00 H new ATOM 382 N ASP A 27 -4.692 8.723 10.183 1.00 0.00 N ATOM 383 CA ASP A 27 -5.910 9.474 10.462 1.00 0.00 C ATOM 384 C ASP A 27 -6.420 10.169 9.203 1.00 0.00 C ATOM 385 O ASP A 27 -7.438 9.774 8.635 1.00 0.00 O ATOM 386 CB ASP A 27 -5.658 10.506 11.564 1.00 0.00 C ATOM 387 CG ASP A 27 -6.915 11.264 11.946 1.00 0.00 C ATOM 388 OD1 ASP A 27 -7.954 10.610 12.175 1.00 0.00 O ATOM 389 OD2 ASP A 27 -6.859 12.509 12.017 1.00 0.00 O ATOM 0 H ASP A 27 -3.883 9.011 10.733 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.671 8.771 10.801 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.259 10.003 12.445 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.899 11.213 11.229 1.00 0.00 H new ATOM 394 N ASN A 28 -5.704 11.200 8.770 1.00 0.00 N ATOM 395 CA ASN A 28 -6.083 11.945 7.576 1.00 0.00 C ATOM 396 C ASN A 28 -5.644 11.205 6.313 1.00 0.00 C ATOM 397 O ASN A 28 -6.472 10.844 5.476 1.00 0.00 O ATOM 398 CB ASN A 28 -5.469 13.348 7.605 1.00 0.00 C ATOM 399 CG ASN A 28 -6.520 14.441 7.597 1.00 0.00 C ATOM 400 OD1 ASN A 28 -7.694 14.189 7.326 1.00 0.00 O ATOM 401 ND2 ASN A 28 -6.102 15.665 7.895 1.00 0.00 N ATOM 0 H ASN A 28 -4.858 11.539 9.228 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.169 12.036 7.563 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.848 13.451 8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.813 13.472 6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.763 16.441 7.905 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.119 15.829 8.114 1.00 0.00 H new ATOM 408 N PRO A 29 -4.330 10.967 6.160 1.00 0.00 N ATOM 409 CA PRO A 29 -3.786 10.266 4.995 1.00 0.00 C ATOM 410 C PRO A 29 -3.972 8.756 5.088 1.00 0.00 C ATOM 411 O PRO A 29 -4.706 8.262 5.945 1.00 0.00 O ATOM 412 CB PRO A 29 -2.302 10.624 5.042 1.00 0.00 C ATOM 413 CG PRO A 29 -2.009 10.808 6.491 1.00 0.00 C ATOM 414 CD PRO A 29 -3.269 11.362 7.110 1.00 0.00 C ATOM 0 HA PRO A 29 -4.285 10.555 4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.689 9.833 4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.095 11.532 4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.731 9.862 6.955 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.172 11.491 6.635 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.444 10.945 8.102 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.216 12.445 7.224 1.00 0.00 H new ATOM 422 N VAL A 30 -3.304 8.027 4.200 1.00 0.00 N ATOM 423 CA VAL A 30 -3.395 6.572 4.181 1.00 0.00 C ATOM 424 C VAL A 30 -2.088 5.949 3.703 1.00 0.00 C ATOM 425 O VAL A 30 -1.856 5.815 2.502 1.00 0.00 O ATOM 426 CB VAL A 30 -4.542 6.091 3.274 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.747 4.591 3.422 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.825 6.845 3.587 1.00 0.00 C ATOM 0 H VAL A 30 -2.693 8.420 3.484 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.596 6.254 5.204 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.271 6.297 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.562 4.269 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.832 4.069 3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.994 4.358 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.624 6.490 2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.103 6.674 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.670 7.911 3.423 1.00 0.00 H new ATOM 438 N PHE A 31 -1.236 5.571 4.651 1.00 0.00 N ATOM 439 CA PHE A 31 0.048 4.963 4.324 1.00 0.00 C ATOM 440 C PHE A 31 0.189 3.595 4.983 1.00 0.00 C ATOM 441 O PHE A 31 -0.343 3.360 6.068 1.00 0.00 O ATOM 442 CB PHE A 31 1.194 5.875 4.766 1.00 0.00 C ATOM 443 CG PHE A 31 1.069 6.357 6.183 1.00 0.00 C ATOM 444 CD1 PHE A 31 1.499 5.569 7.238 1.00 0.00 C ATOM 445 CD2 PHE A 31 0.519 7.598 6.461 1.00 0.00 C ATOM 446 CE1 PHE A 31 1.385 6.009 8.543 1.00 0.00 C ATOM 447 CE2 PHE A 31 0.402 8.044 7.764 1.00 0.00 C ATOM 448 CZ PHE A 31 0.835 7.249 8.806 1.00 0.00 C ATOM 0 H PHE A 31 -1.412 5.675 5.650 1.00 0.00 H new ATOM 0 HA PHE A 31 0.093 4.830 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.137 5.339 4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.238 6.737 4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.929 4.599 7.038 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.178 8.224 5.650 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.725 5.385 9.356 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.028 9.014 7.967 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.744 7.595 9.825 1.00 0.00 H new ATOM 458 N VAL A 32 0.909 2.697 4.321 1.00 0.00 N ATOM 459 CA VAL A 32 1.123 1.353 4.841 1.00 0.00 C ATOM 460 C VAL A 32 2.379 1.294 5.702 1.00 0.00 C ATOM 461 O VAL A 32 3.459 1.693 5.269 1.00 0.00 O ATOM 462 CB VAL A 32 1.246 0.323 3.702 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.248 -1.093 4.259 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.122 0.507 2.693 1.00 0.00 C ATOM 0 H VAL A 32 1.355 2.876 3.421 1.00 0.00 H new ATOM 0 HA VAL A 32 0.254 1.106 5.451 1.00 0.00 H new ATOM 0 HB VAL A 32 2.194 0.487 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.336 -1.806 3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.092 -1.216 4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.318 -1.273 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.225 -0.229 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.839 0.372 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.174 1.510 2.270 1.00 0.00 H new ATOM 474 N GLN A 33 2.231 0.796 6.924 1.00 0.00 N ATOM 475 CA GLN A 33 3.355 0.688 7.847 1.00 0.00 C ATOM 476 C GLN A 33 3.978 -0.703 7.788 1.00 0.00 C ATOM 477 O GLN A 33 5.202 -0.846 7.785 1.00 0.00 O ATOM 478 CB GLN A 33 2.901 0.993 9.275 1.00 0.00 C ATOM 479 CG GLN A 33 2.992 2.466 9.642 1.00 0.00 C ATOM 480 CD GLN A 33 2.222 2.802 10.903 1.00 0.00 C ATOM 481 OE1 GLN A 33 1.439 3.750 10.932 1.00 0.00 O ATOM 482 NE2 GLN A 33 2.443 2.023 11.956 1.00 0.00 N ATOM 0 H GLN A 33 1.344 0.461 7.299 1.00 0.00 H new ATOM 0 HA GLN A 33 4.108 1.417 7.547 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.871 0.659 9.399 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.509 0.416 9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.039 2.739 9.777 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.610 3.066 8.817 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.102 1.247 11.887 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.954 2.201 12.833 1.00 0.00 H new ATOM 491 N SER A 34 3.131 -1.726 7.739 1.00 0.00 N ATOM 492 CA SER A 34 3.603 -3.105 7.680 1.00 0.00 C ATOM 493 C SER A 34 3.126 -3.792 6.406 1.00 0.00 C ATOM 494 O SER A 34 2.023 -3.533 5.923 1.00 0.00 O ATOM 495 CB SER A 34 3.116 -3.883 8.904 1.00 0.00 C ATOM 496 OG SER A 34 1.701 -3.934 8.948 1.00 0.00 O ATOM 0 H SER A 34 2.116 -1.627 7.739 1.00 0.00 H new ATOM 0 HA SER A 34 4.693 -3.089 7.675 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.519 -4.896 8.879 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.494 -3.412 9.812 1.00 0.00 H new ATOM 0 HG SER A 34 1.418 -4.651 9.553 1.00 0.00 H new ATOM 502 N VAL A 35 3.964 -4.672 5.866 1.00 0.00 N ATOM 503 CA VAL A 35 3.630 -5.399 4.649 1.00 0.00 C ATOM 504 C VAL A 35 3.877 -6.894 4.820 1.00 0.00 C ATOM 505 O VAL A 35 4.819 -7.304 5.499 1.00 0.00 O ATOM 506 CB VAL A 35 4.445 -4.890 3.445 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.077 -3.451 3.120 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.936 -5.018 3.717 1.00 0.00 C ATOM 0 H VAL A 35 4.880 -4.898 6.254 1.00 0.00 H new ATOM 0 HA VAL A 35 2.571 -5.225 4.458 1.00 0.00 H new ATOM 0 HB VAL A 35 4.203 -5.507 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.663 -3.109 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.016 -3.393 2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.288 -2.818 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.496 -4.654 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.198 -4.428 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.185 -6.064 3.895 1.00 0.00 H new ATOM 518 N LYS A 36 3.027 -7.705 4.201 1.00 0.00 N ATOM 519 CA LYS A 36 3.153 -9.155 4.285 1.00 0.00 C ATOM 520 C LYS A 36 4.428 -9.632 3.597 1.00 0.00 C ATOM 521 O LYS A 36 4.573 -9.507 2.381 1.00 0.00 O ATOM 522 CB LYS A 36 1.936 -9.832 3.655 1.00 0.00 C ATOM 523 CG LYS A 36 1.804 -11.303 4.013 1.00 0.00 C ATOM 524 CD LYS A 36 0.396 -11.815 3.759 1.00 0.00 C ATOM 525 CE LYS A 36 0.279 -13.299 4.068 1.00 0.00 C ATOM 526 NZ LYS A 36 -0.759 -13.961 3.231 1.00 0.00 N ATOM 0 H LYS A 36 2.242 -7.383 3.635 1.00 0.00 H new ATOM 0 HA LYS A 36 3.206 -9.428 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.035 -9.307 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.997 -9.735 2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.515 -11.886 3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.061 -11.447 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.311 -11.258 4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.125 -11.636 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.242 -13.781 3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.035 -13.432 5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.807 -14.971 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.683 -13.518 3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.513 -13.857 2.226 1.00 0.00 H new ATOM 540 N GLU A 37 5.350 -10.180 4.384 1.00 0.00 N ATOM 541 CA GLU A 37 6.612 -10.677 3.849 1.00 0.00 C ATOM 542 C GLU A 37 6.445 -12.085 3.288 1.00 0.00 C ATOM 543 O GLU A 37 5.758 -12.921 3.873 1.00 0.00 O ATOM 544 CB GLU A 37 7.688 -10.675 4.936 1.00 0.00 C ATOM 545 CG GLU A 37 7.806 -9.350 5.674 1.00 0.00 C ATOM 546 CD GLU A 37 9.195 -8.753 5.582 1.00 0.00 C ATOM 547 OE1 GLU A 37 10.046 -9.093 6.431 1.00 0.00 O ATOM 548 OE2 GLU A 37 9.435 -7.945 4.660 1.00 0.00 O ATOM 0 H GLU A 37 5.246 -10.291 5.393 1.00 0.00 H new ATOM 0 HA GLU A 37 6.921 -10.015 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.467 -11.464 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.650 -10.916 4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.084 -8.644 5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.547 -9.498 6.722 1.00 0.00 H new ATOM 555 N ASP A 38 7.081 -12.342 2.148 1.00 0.00 N ATOM 556 CA ASP A 38 7.004 -13.651 1.509 1.00 0.00 C ATOM 557 C ASP A 38 5.558 -14.010 1.178 1.00 0.00 C ATOM 558 O ASP A 38 5.189 -15.184 1.166 1.00 0.00 O ATOM 559 CB ASP A 38 7.614 -14.720 2.416 1.00 0.00 C ATOM 560 CG ASP A 38 7.838 -16.032 1.692 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.107 -16.000 0.473 1.00 0.00 O ATOM 562 OD2 ASP A 38 7.745 -17.094 2.344 1.00 0.00 O ATOM 0 H ASP A 38 7.654 -11.662 1.649 1.00 0.00 H new ATOM 0 HA ASP A 38 7.570 -13.609 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.564 -14.359 2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.957 -14.887 3.270 1.00 0.00 H new ATOM 567 N GLY A 39 4.746 -12.992 0.914 1.00 0.00 N ATOM 568 CA GLY A 39 3.351 -13.221 0.587 1.00 0.00 C ATOM 569 C GLY A 39 2.899 -12.421 -0.618 1.00 0.00 C ATOM 570 O GLY A 39 3.718 -11.996 -1.432 1.00 0.00 O ATOM 0 H GLY A 39 5.029 -12.012 0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.196 -14.282 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.732 -12.960 1.445 1.00 0.00 H new ATOM 574 N ALA A 40 1.591 -12.215 -0.733 1.00 0.00 N ATOM 575 CA ALA A 40 1.032 -11.461 -1.848 1.00 0.00 C ATOM 576 C ALA A 40 1.562 -10.031 -1.868 1.00 0.00 C ATOM 577 O ALA A 40 1.825 -9.471 -2.931 1.00 0.00 O ATOM 578 CB ALA A 40 -0.488 -11.461 -1.775 1.00 0.00 C ATOM 0 H ALA A 40 0.899 -12.560 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 40 1.342 -11.947 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.893 -10.894 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.854 -12.487 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.807 -11.002 -0.839 1.00 0.00 H new ATOM 584 N ALA A 41 1.715 -9.446 -0.683 1.00 0.00 N ATOM 585 CA ALA A 41 2.212 -8.080 -0.565 1.00 0.00 C ATOM 586 C ALA A 41 3.675 -7.991 -0.984 1.00 0.00 C ATOM 587 O ALA A 41 4.060 -7.109 -1.752 1.00 0.00 O ATOM 588 CB ALA A 41 2.037 -7.576 0.858 1.00 0.00 C ATOM 0 H ALA A 41 1.502 -9.896 0.207 1.00 0.00 H new ATOM 0 HA ALA A 41 1.630 -7.448 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.412 -6.555 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.980 -7.594 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.593 -8.217 1.542 1.00 0.00 H new ATOM 594 N MET A 42 4.489 -8.911 -0.475 1.00 0.00 N ATOM 595 CA MET A 42 5.911 -8.937 -0.797 1.00 0.00 C ATOM 596 C MET A 42 6.126 -9.214 -2.281 1.00 0.00 C ATOM 597 O MET A 42 6.893 -8.519 -2.947 1.00 0.00 O ATOM 598 CB MET A 42 6.624 -10.001 0.040 1.00 0.00 C ATOM 599 CG MET A 42 8.133 -10.011 -0.148 1.00 0.00 C ATOM 600 SD MET A 42 9.015 -9.285 1.248 1.00 0.00 S ATOM 601 CE MET A 42 10.308 -10.500 1.499 1.00 0.00 C ATOM 0 H MET A 42 4.188 -9.648 0.162 1.00 0.00 H new ATOM 0 HA MET A 42 6.330 -7.958 -0.563 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.398 -9.835 1.093 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.227 -10.982 -0.220 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.470 -11.038 -0.291 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.385 -9.463 -1.056 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.940 -10.192 2.332 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.859 -11.468 1.722 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.912 -10.580 0.595 1.00 0.00 H new ATOM 611 N ARG A 43 5.444 -10.233 -2.792 1.00 0.00 N ATOM 612 CA ARG A 43 5.559 -10.604 -4.198 1.00 0.00 C ATOM 613 C ARG A 43 5.084 -9.470 -5.101 1.00 0.00 C ATOM 614 O ARG A 43 5.572 -9.309 -6.220 1.00 0.00 O ATOM 615 CB ARG A 43 4.749 -11.869 -4.481 1.00 0.00 C ATOM 616 CG ARG A 43 5.306 -12.707 -5.620 1.00 0.00 C ATOM 617 CD ARG A 43 4.525 -12.492 -6.907 1.00 0.00 C ATOM 618 NE ARG A 43 4.369 -13.729 -7.668 1.00 0.00 N ATOM 619 CZ ARG A 43 5.325 -14.253 -8.434 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.501 -13.648 -8.547 1.00 0.00 N ATOM 621 NH2 ARG A 43 5.101 -15.383 -9.090 1.00 0.00 N ATOM 0 H ARG A 43 4.805 -10.818 -2.253 1.00 0.00 H new ATOM 0 HA ARG A 43 6.610 -10.798 -4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.714 -12.477 -3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.723 -11.588 -4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.353 -12.451 -5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.274 -13.762 -5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.542 -12.086 -6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.036 -11.751 -7.521 1.00 0.00 H new ATOM 0 HE ARG A 43 3.477 -14.220 -7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.677 -12.777 -8.046 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.229 -14.054 -9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.198 -15.850 -9.008 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.832 -15.785 -9.677 1.00 0.00 H new ATOM 635 N ALA A 44 4.131 -8.685 -4.606 1.00 0.00 N ATOM 636 CA ALA A 44 3.591 -7.565 -5.369 1.00 0.00 C ATOM 637 C ALA A 44 4.604 -6.429 -5.486 1.00 0.00 C ATOM 638 O ALA A 44 4.452 -5.537 -6.319 1.00 0.00 O ATOM 639 CB ALA A 44 2.306 -7.064 -4.727 1.00 0.00 C ATOM 0 H ALA A 44 3.718 -8.804 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 44 3.372 -7.920 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.912 -6.228 -5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.571 -7.869 -4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.512 -6.735 -3.708 1.00 0.00 H new ATOM 645 N GLY A 45 5.637 -6.464 -4.650 1.00 0.00 N ATOM 646 CA GLY A 45 6.654 -5.431 -4.684 1.00 0.00 C ATOM 647 C GLY A 45 6.290 -4.229 -3.831 1.00 0.00 C ATOM 648 O GLY A 45 6.615 -3.093 -4.178 1.00 0.00 O ATOM 0 H GLY A 45 5.787 -7.190 -3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.600 -5.846 -4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.806 -5.109 -5.714 1.00 0.00 H new ATOM 652 N VAL A 46 5.614 -4.481 -2.716 1.00 0.00 N ATOM 653 CA VAL A 46 5.206 -3.412 -1.812 1.00 0.00 C ATOM 654 C VAL A 46 6.365 -2.975 -0.921 1.00 0.00 C ATOM 655 O VAL A 46 7.327 -3.720 -0.728 1.00 0.00 O ATOM 656 CB VAL A 46 4.020 -3.844 -0.927 1.00 0.00 C ATOM 657 CG1 VAL A 46 4.416 -5.005 -0.027 1.00 0.00 C ATOM 658 CG2 VAL A 46 3.509 -2.671 -0.105 1.00 0.00 C ATOM 0 H VAL A 46 5.337 -5.416 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 46 4.894 -2.573 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 46 3.212 -4.180 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.565 -5.294 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.725 -5.852 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.243 -4.702 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.672 -2.997 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.309 -2.299 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.179 -1.875 -0.773 1.00 0.00 H new ATOM 668 N GLN A 47 6.269 -1.766 -0.380 1.00 0.00 N ATOM 669 CA GLN A 47 7.310 -1.232 0.491 1.00 0.00 C ATOM 670 C GLN A 47 6.724 -0.787 1.826 1.00 0.00 C ATOM 671 O GLN A 47 5.655 -0.177 1.874 1.00 0.00 O ATOM 672 CB GLN A 47 8.019 -0.057 -0.184 1.00 0.00 C ATOM 673 CG GLN A 47 8.855 -0.464 -1.387 1.00 0.00 C ATOM 674 CD GLN A 47 9.093 0.686 -2.348 1.00 0.00 C ATOM 675 OE1 GLN A 47 10.234 1.075 -2.597 1.00 0.00 O ATOM 676 NE2 GLN A 47 8.014 1.236 -2.890 1.00 0.00 N ATOM 0 H GLN A 47 5.480 -1.136 -0.529 1.00 0.00 H new ATOM 0 HA GLN A 47 8.035 -2.025 0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.274 0.674 -0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.662 0.437 0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.815 -0.850 -1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.355 -1.276 -1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.087 0.881 -2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.111 2.014 -3.542 1.00 0.00 H new ATOM 685 N THR A 48 7.429 -1.095 2.910 1.00 0.00 N ATOM 686 CA THR A 48 6.974 -0.724 4.244 1.00 0.00 C ATOM 687 C THR A 48 7.074 0.782 4.455 1.00 0.00 C ATOM 688 O THR A 48 8.110 1.390 4.188 1.00 0.00 O ATOM 689 CB THR A 48 7.787 -1.456 5.313 1.00 0.00 C ATOM 690 OG1 THR A 48 7.587 -0.866 6.585 1.00 0.00 O ATOM 691 CG2 THR A 48 9.276 -1.464 5.039 1.00 0.00 C ATOM 0 H THR A 48 8.315 -1.599 2.890 1.00 0.00 H new ATOM 0 HA THR A 48 5.928 -1.017 4.334 1.00 0.00 H new ATOM 0 HB THR A 48 7.428 -2.485 5.292 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.673 -1.046 6.889 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.790 -2.000 5.837 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.468 -1.959 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.643 -0.439 4.995 1.00 0.00 H new ATOM 699 N GLY A 49 5.988 1.374 4.937 1.00 0.00 N ATOM 700 CA GLY A 49 5.968 2.804 5.180 1.00 0.00 C ATOM 701 C GLY A 49 5.690 3.607 3.923 1.00 0.00 C ATOM 702 O GLY A 49 6.106 4.761 3.812 1.00 0.00 O ATOM 0 H GLY A 49 5.120 0.889 5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.207 3.031 5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.927 3.111 5.598 1.00 0.00 H new ATOM 706 N ASP A 50 4.987 2.997 2.973 1.00 0.00 N ATOM 707 CA ASP A 50 4.657 3.666 1.720 1.00 0.00 C ATOM 708 C ASP A 50 3.348 4.439 1.843 1.00 0.00 C ATOM 709 O ASP A 50 2.383 3.954 2.434 1.00 0.00 O ATOM 710 CB ASP A 50 4.557 2.645 0.584 1.00 0.00 C ATOM 711 CG ASP A 50 5.285 3.098 -0.666 1.00 0.00 C ATOM 712 OD1 ASP A 50 5.557 4.312 -0.789 1.00 0.00 O ATOM 713 OD2 ASP A 50 5.585 2.240 -1.522 1.00 0.00 O ATOM 0 H ASP A 50 4.636 2.042 3.047 1.00 0.00 H new ATOM 0 HA ASP A 50 5.454 4.374 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.971 1.693 0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.507 2.471 0.347 1.00 0.00 H new ATOM 718 N ARG A 51 3.321 5.643 1.280 1.00 0.00 N ATOM 719 CA ARG A 51 2.127 6.481 1.327 1.00 0.00 C ATOM 720 C ARG A 51 1.224 6.207 0.130 1.00 0.00 C ATOM 721 O ARG A 51 1.693 6.107 -1.004 1.00 0.00 O ATOM 722 CB ARG A 51 2.518 7.959 1.359 1.00 0.00 C ATOM 723 CG ARG A 51 1.583 8.817 2.197 1.00 0.00 C ATOM 724 CD ARG A 51 1.298 10.153 1.530 1.00 0.00 C ATOM 725 NE ARG A 51 0.041 10.135 0.785 1.00 0.00 N ATOM 726 CZ ARG A 51 -0.619 11.232 0.420 1.00 0.00 C ATOM 727 NH1 ARG A 51 -0.145 12.433 0.724 1.00 0.00 N ATOM 728 NH2 ARG A 51 -1.758 11.126 -0.253 1.00 0.00 N ATOM 0 H ARG A 51 4.110 6.060 0.787 1.00 0.00 H new ATOM 0 HA ARG A 51 1.577 6.238 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.531 8.050 1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.535 8.344 0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.646 8.284 2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.026 8.987 3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.259 10.936 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.116 10.403 0.855 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.353 9.230 0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.730 12.520 1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.656 13.269 0.441 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.127 10.205 -0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.265 11.966 -0.533 1.00 0.00 H new ATOM 742 N ILE A 52 -0.074 6.087 0.388 1.00 0.00 N ATOM 743 CA ILE A 52 -1.042 5.823 -0.671 1.00 0.00 C ATOM 744 C ILE A 52 -1.653 7.119 -1.192 1.00 0.00 C ATOM 745 O ILE A 52 -2.197 7.914 -0.425 1.00 0.00 O ATOM 746 CB ILE A 52 -2.172 4.898 -0.183 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.592 3.684 0.548 1.00 0.00 C ATOM 748 CG2 ILE A 52 -3.037 4.454 -1.354 1.00 0.00 C ATOM 749 CD1 ILE A 52 -2.606 2.951 1.399 1.00 0.00 C ATOM 0 H ILE A 52 -0.480 6.168 1.320 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.500 5.328 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.797 5.453 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.177 2.992 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.767 4.011 1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.831 3.801 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.477 5.328 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.424 3.914 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.126 2.103 1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.003 3.628 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.420 2.594 0.768 1.00 0.00 H new ATOM 761 N ILE A 53 -1.562 7.325 -2.502 1.00 0.00 N ATOM 762 CA ILE A 53 -2.109 8.524 -3.127 1.00 0.00 C ATOM 763 C ILE A 53 -3.476 8.244 -3.742 1.00 0.00 C ATOM 764 O ILE A 53 -4.358 9.103 -3.736 1.00 0.00 O ATOM 765 CB ILE A 53 -1.169 9.068 -4.220 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.261 9.172 -3.688 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.658 10.420 -4.712 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.269 9.570 -4.744 1.00 0.00 C ATOM 0 H ILE A 53 -1.115 6.678 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.211 9.273 -2.342 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.173 8.375 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.287 9.901 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.553 8.212 -3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.984 10.792 -5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.661 10.316 -5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.680 11.124 -3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.262 9.625 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.271 8.829 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.001 10.544 -5.154 1.00 0.00 H new ATOM 780 N LYS A 54 -3.645 7.037 -4.271 1.00 0.00 N ATOM 781 CA LYS A 54 -4.904 6.642 -4.889 1.00 0.00 C ATOM 782 C LYS A 54 -5.217 5.178 -4.598 1.00 0.00 C ATOM 783 O LYS A 54 -4.321 4.335 -4.579 1.00 0.00 O ATOM 784 CB LYS A 54 -4.848 6.871 -6.401 1.00 0.00 C ATOM 785 CG LYS A 54 -4.672 8.330 -6.788 1.00 0.00 C ATOM 786 CD LYS A 54 -4.912 8.544 -8.274 1.00 0.00 C ATOM 787 CE LYS A 54 -3.697 8.152 -9.100 1.00 0.00 C ATOM 788 NZ LYS A 54 -4.021 7.092 -10.096 1.00 0.00 N ATOM 0 H LYS A 54 -2.925 6.315 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.697 7.257 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.025 6.291 -6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.765 6.492 -6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.364 8.946 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.665 8.657 -6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.774 7.957 -8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.154 9.591 -8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.311 9.030 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.906 7.799 -8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.167 6.853 -10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.366 6.245 -9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.757 7.438 -10.744 1.00 0.00 H new ATOM 802 N VAL A 55 -6.493 4.882 -4.373 1.00 0.00 N ATOM 803 CA VAL A 55 -6.923 3.521 -4.083 1.00 0.00 C ATOM 804 C VAL A 55 -8.015 3.071 -5.047 1.00 0.00 C ATOM 805 O VAL A 55 -9.102 3.647 -5.081 1.00 0.00 O ATOM 806 CB VAL A 55 -7.445 3.390 -2.639 1.00 0.00 C ATOM 807 CG1 VAL A 55 -7.698 1.932 -2.291 1.00 0.00 C ATOM 808 CG2 VAL A 55 -6.466 4.018 -1.658 1.00 0.00 C ATOM 0 H VAL A 55 -7.247 5.568 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.048 2.883 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.392 3.925 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.066 1.861 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.441 1.519 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.769 1.370 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.852 3.916 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.502 3.514 -1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.342 5.075 -1.894 1.00 0.00 H new ATOM 818 N ASN A 56 -7.717 2.041 -5.831 1.00 0.00 N ATOM 819 CA ASN A 56 -8.674 1.513 -6.797 1.00 0.00 C ATOM 820 C ASN A 56 -9.083 2.586 -7.800 1.00 0.00 C ATOM 821 O ASN A 56 -10.205 2.583 -8.306 1.00 0.00 O ATOM 822 CB ASN A 56 -9.911 0.972 -6.078 1.00 0.00 C ATOM 823 CG ASN A 56 -9.672 -0.397 -5.470 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.770 -1.123 -5.884 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.486 -0.755 -4.484 1.00 0.00 N ATOM 0 H ASN A 56 -6.820 1.555 -5.817 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.193 0.699 -7.339 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.206 1.669 -5.293 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.741 0.914 -6.782 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.376 -1.665 -4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.221 -0.120 -4.173 1.00 0.00 H new ATOM 832 N GLY A 57 -8.165 3.506 -8.082 1.00 0.00 N ATOM 833 CA GLY A 57 -8.449 4.573 -9.023 1.00 0.00 C ATOM 834 C GLY A 57 -9.597 5.456 -8.572 1.00 0.00 C ATOM 835 O GLY A 57 -10.287 6.056 -9.396 1.00 0.00 O ATOM 0 H GLY A 57 -7.230 3.531 -7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.556 5.184 -9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.687 4.142 -9.995 1.00 0.00 H new ATOM 839 N THR A 58 -9.799 5.537 -7.261 1.00 0.00 N ATOM 840 CA THR A 58 -10.871 6.354 -6.703 1.00 0.00 C ATOM 841 C THR A 58 -10.317 7.415 -5.756 1.00 0.00 C ATOM 842 O THR A 58 -11.028 7.913 -4.883 1.00 0.00 O ATOM 843 CB THR A 58 -11.881 5.474 -5.964 1.00 0.00 C ATOM 844 OG1 THR A 58 -12.214 4.336 -6.739 1.00 0.00 O ATOM 845 CG2 THR A 58 -13.168 6.192 -5.628 1.00 0.00 C ATOM 0 H THR A 58 -9.235 5.048 -6.566 1.00 0.00 H new ATOM 0 HA THR A 58 -11.372 6.858 -7.529 1.00 0.00 H new ATOM 0 HB THR A 58 -11.390 5.190 -5.033 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.859 3.784 -6.250 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.839 5.510 -5.105 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.951 7.048 -4.990 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.643 6.536 -6.547 1.00 0.00 H new ATOM 853 N LEU A 59 -9.046 7.761 -5.937 1.00 0.00 N ATOM 854 CA LEU A 59 -8.396 8.767 -5.100 1.00 0.00 C ATOM 855 C LEU A 59 -8.635 8.491 -3.617 1.00 0.00 C ATOM 856 O LEU A 59 -9.125 7.424 -3.245 1.00 0.00 O ATOM 857 CB LEU A 59 -8.905 10.165 -5.464 1.00 0.00 C ATOM 858 CG LEU A 59 -7.872 11.074 -6.136 1.00 0.00 C ATOM 859 CD1 LEU A 59 -8.463 11.743 -7.368 1.00 0.00 C ATOM 860 CD2 LEU A 59 -7.363 12.119 -5.154 1.00 0.00 C ATOM 0 H LEU A 59 -8.444 7.360 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.323 8.717 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.763 10.062 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.261 10.653 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.030 10.458 -6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.712 12.384 -7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.777 10.980 -8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.324 12.344 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.630 12.756 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.197 12.728 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.897 11.622 -4.303 1.00 0.00 H new ATOM 872 N VAL A 60 -8.286 9.460 -2.776 1.00 0.00 N ATOM 873 CA VAL A 60 -8.463 9.323 -1.336 1.00 0.00 C ATOM 874 C VAL A 60 -8.480 10.688 -0.655 1.00 0.00 C ATOM 875 O VAL A 60 -7.484 11.411 -0.666 1.00 0.00 O ATOM 876 CB VAL A 60 -7.349 8.458 -0.712 1.00 0.00 C ATOM 877 CG1 VAL A 60 -5.986 9.100 -0.927 1.00 0.00 C ATOM 878 CG2 VAL A 60 -7.612 8.229 0.768 1.00 0.00 C ATOM 0 H VAL A 60 -7.879 10.348 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.422 8.830 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.349 7.488 -1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.214 8.474 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.796 9.202 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.970 10.085 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.814 7.617 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.644 9.188 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.566 7.718 0.893 1.00 0.00 H new ATOM 888 N THR A 61 -9.619 11.035 -0.063 1.00 0.00 N ATOM 889 CA THR A 61 -9.765 12.315 0.620 1.00 0.00 C ATOM 890 C THR A 61 -9.556 12.158 2.123 1.00 0.00 C ATOM 891 O THR A 61 -8.585 12.668 2.680 1.00 0.00 O ATOM 892 CB THR A 61 -11.148 12.908 0.344 1.00 0.00 C ATOM 893 OG1 THR A 61 -12.136 11.894 0.332 1.00 0.00 O ATOM 894 CG2 THR A 61 -11.232 13.648 -0.973 1.00 0.00 C ATOM 0 H THR A 61 -10.453 10.448 -0.043 1.00 0.00 H new ATOM 0 HA THR A 61 -9.003 12.993 0.236 1.00 0.00 H new ATOM 0 HB THR A 61 -11.322 13.619 1.152 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.013 12.294 0.156 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.239 14.043 -1.105 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.517 14.471 -0.974 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.000 12.965 -1.790 1.00 0.00 H new ATOM 902 N HIS A 62 -10.474 11.450 2.773 1.00 0.00 N ATOM 903 CA HIS A 62 -10.389 11.226 4.211 1.00 0.00 C ATOM 904 C HIS A 62 -11.267 10.053 4.634 1.00 0.00 C ATOM 905 O HIS A 62 -12.443 9.983 4.272 1.00 0.00 O ATOM 906 CB HIS A 62 -10.803 12.489 4.970 1.00 0.00 C ATOM 907 CG HIS A 62 -12.232 12.880 4.752 1.00 0.00 C ATOM 908 ND1 HIS A 62 -13.057 12.674 3.697 1.00 0.00 N flip ATOM 909 CD2 HIS A 62 -12.976 13.568 5.688 1.00 0.00 C flip ATOM 910 CE1 HIS A 62 -14.269 13.236 4.012 1.00 0.00 C flip ATOM 911 NE2 HIS A 62 -14.194 13.768 5.219 1.00 0.00 N flip ATOM 0 H HIS A 62 -11.285 11.022 2.327 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.354 10.986 4.455 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -10.637 12.333 6.036 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.159 13.314 4.664 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -12.618 13.892 6.654 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -15.142 13.242 3.376 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -14.949 14.251 5.706 1.00 0.00 H new ATOM 920 N SER A 63 -10.689 9.135 5.401 1.00 0.00 N ATOM 921 CA SER A 63 -11.419 7.964 5.873 1.00 0.00 C ATOM 922 C SER A 63 -10.695 7.309 7.044 1.00 0.00 C ATOM 923 O SER A 63 -9.485 7.466 7.206 1.00 0.00 O ATOM 924 CB SER A 63 -11.595 6.953 4.738 1.00 0.00 C ATOM 925 OG SER A 63 -11.758 7.608 3.492 1.00 0.00 O ATOM 0 H SER A 63 -9.718 9.179 5.709 1.00 0.00 H new ATOM 0 HA SER A 63 -12.401 8.292 6.213 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.727 6.295 4.695 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.463 6.324 4.938 1.00 0.00 H new ATOM 0 HG SER A 63 -12.367 8.369 3.599 1.00 0.00 H new ATOM 931 N ASN A 64 -11.444 6.573 7.860 1.00 0.00 N ATOM 932 CA ASN A 64 -10.873 5.893 9.016 1.00 0.00 C ATOM 933 C ASN A 64 -10.319 4.526 8.626 1.00 0.00 C ATOM 934 O ASN A 64 -10.403 4.119 7.467 1.00 0.00 O ATOM 935 CB ASN A 64 -11.928 5.734 10.113 1.00 0.00 C ATOM 936 CG ASN A 64 -11.887 6.864 11.123 1.00 0.00 C ATOM 937 OD1 ASN A 64 -11.658 6.642 12.311 1.00 0.00 O ATOM 938 ND2 ASN A 64 -12.111 8.086 10.653 1.00 0.00 N ATOM 0 H ASN A 64 -12.447 6.433 7.741 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.053 6.502 9.395 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.918 5.693 9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.774 4.785 10.627 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.097 8.886 11.285 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.297 8.224 9.660 1.00 0.00 H new ATOM 945 N HIS A 65 -9.751 3.823 9.600 1.00 0.00 N ATOM 946 CA HIS A 65 -9.183 2.502 9.358 1.00 0.00 C ATOM 947 C HIS A 65 -10.245 1.540 8.833 1.00 0.00 C ATOM 948 O HIS A 65 -10.039 0.864 7.825 1.00 0.00 O ATOM 949 CB HIS A 65 -8.566 1.946 10.644 1.00 0.00 C ATOM 950 CG HIS A 65 -7.578 0.846 10.407 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.938 -0.481 10.308 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.233 0.883 10.248 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.859 -1.213 10.100 1.00 0.00 C ATOM 954 NE2 HIS A 65 -5.812 -0.411 10.059 1.00 0.00 N ATOM 0 H HIS A 65 -9.672 4.146 10.564 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.404 2.602 8.602 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.073 2.757 11.181 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.363 1.575 11.289 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.609 1.764 10.266 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.837 -2.286 9.983 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.846 -0.704 9.911 1.00 0.00 H new ATOM 963 N LEU A 66 -11.380 1.487 9.522 1.00 0.00 N ATOM 964 CA LEU A 66 -12.475 0.608 9.124 1.00 0.00 C ATOM 965 C LEU A 66 -12.895 0.884 7.684 1.00 0.00 C ATOM 966 O LEU A 66 -13.122 -0.043 6.905 1.00 0.00 O ATOM 967 CB LEU A 66 -13.671 0.790 10.061 1.00 0.00 C ATOM 968 CG LEU A 66 -13.423 0.377 11.515 1.00 0.00 C ATOM 969 CD1 LEU A 66 -13.490 1.586 12.436 1.00 0.00 C ATOM 970 CD2 LEU A 66 -14.428 -0.682 11.949 1.00 0.00 C ATOM 0 H LEU A 66 -11.566 2.041 10.358 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.125 -0.422 9.191 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.971 1.838 10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.509 0.211 9.673 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.422 -0.050 11.583 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.311 1.271 13.464 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.731 2.310 12.141 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.476 2.044 12.364 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.236 -0.963 12.985 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.438 -0.282 11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.330 -1.560 11.311 1.00 0.00 H new ATOM 982 N GLU A 67 -12.989 2.163 7.334 1.00 0.00 N ATOM 983 CA GLU A 67 -13.373 2.553 5.985 1.00 0.00 C ATOM 984 C GLU A 67 -12.346 2.056 4.976 1.00 0.00 C ATOM 985 O GLU A 67 -12.701 1.516 3.928 1.00 0.00 O ATOM 986 CB GLU A 67 -13.510 4.074 5.887 1.00 0.00 C ATOM 987 CG GLU A 67 -14.530 4.656 6.854 1.00 0.00 C ATOM 988 CD GLU A 67 -15.958 4.424 6.402 1.00 0.00 C ATOM 989 OE1 GLU A 67 -16.384 5.068 5.421 1.00 0.00 O ATOM 990 OE2 GLU A 67 -16.653 3.596 7.030 1.00 0.00 O ATOM 0 H GLU A 67 -12.805 2.943 7.965 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.337 2.099 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.539 4.531 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.794 4.340 4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.387 4.211 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.355 5.727 6.960 1.00 0.00 H new ATOM 997 N VAL A 68 -11.070 2.225 5.309 1.00 0.00 N ATOM 998 CA VAL A 68 -9.993 1.778 4.438 1.00 0.00 C ATOM 999 C VAL A 68 -10.026 0.261 4.300 1.00 0.00 C ATOM 1000 O VAL A 68 -9.948 -0.277 3.195 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.613 2.207 4.972 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.521 1.874 3.966 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -8.608 3.692 5.309 1.00 0.00 C ATOM 0 H VAL A 68 -10.759 2.667 6.174 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.146 2.245 3.465 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.410 1.651 5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.554 2.185 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.510 0.799 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.716 2.399 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.625 3.977 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.835 4.269 4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.360 3.895 6.071 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.166 -0.422 5.434 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.233 -1.875 5.440 1.00 0.00 C ATOM 1015 C VAL A 69 -11.430 -2.348 4.626 1.00 0.00 C ATOM 1016 O VAL A 69 -11.327 -3.288 3.835 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.342 -2.432 6.872 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -10.268 -3.952 6.863 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.256 -1.843 7.759 1.00 0.00 C ATOM 0 H VAL A 69 -10.235 0.009 6.356 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.310 -2.247 4.995 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.310 -2.142 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.347 -4.326 7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.087 -4.353 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.317 -4.267 6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.349 -2.248 8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.277 -2.099 7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.362 -0.759 7.793 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.561 -1.676 4.814 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.777 -2.012 4.086 1.00 0.00 C ATOM 1031 C LYS A 70 -13.592 -1.734 2.599 1.00 0.00 C ATOM 1032 O LYS A 70 -14.061 -2.494 1.750 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.963 -1.211 4.628 1.00 0.00 C ATOM 1034 CG LYS A 70 -15.756 -1.944 5.696 1.00 0.00 C ATOM 1035 CD LYS A 70 -16.566 -0.984 6.548 1.00 0.00 C ATOM 1036 CE LYS A 70 -17.921 -1.567 6.914 1.00 0.00 C ATOM 1037 NZ LYS A 70 -17.801 -2.945 7.470 1.00 0.00 N ATOM 0 H LYS A 70 -12.660 -0.896 5.464 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.982 -3.074 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.597 -0.271 5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.628 -0.959 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.424 -2.665 5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.075 -2.510 6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.013 -0.748 7.457 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.706 -0.047 6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.408 -0.922 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.559 -1.586 6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.652 -3.171 8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.704 -3.627 6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.964 -3.000 8.084 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.896 -0.643 2.292 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.638 -0.268 0.908 1.00 0.00 C ATOM 1053 C LEU A 71 -11.710 -1.281 0.245 1.00 0.00 C ATOM 1054 O LEU A 71 -11.938 -1.697 -0.890 1.00 0.00 O ATOM 1055 CB LEU A 71 -12.022 1.133 0.840 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.798 2.138 -0.016 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.823 3.505 0.653 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -12.188 2.237 -1.406 1.00 0.00 C ATOM 0 H LEU A 71 -12.502 -0.005 2.983 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.587 -0.260 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.940 1.527 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.009 1.050 0.447 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.824 1.785 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.379 4.205 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.305 3.425 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.803 3.866 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.752 2.956 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.152 2.566 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.222 1.260 -1.889 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.667 -1.681 0.967 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.712 -2.653 0.449 1.00 0.00 C ATOM 1072 C ILE A 72 -10.342 -4.041 0.371 1.00 0.00 C ATOM 1073 O ILE A 72 -10.071 -4.805 -0.555 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.443 -2.721 1.322 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.848 -1.323 1.506 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -7.417 -3.661 0.703 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -7.159 -1.130 2.838 1.00 0.00 C ATOM 0 H ILE A 72 -10.463 -1.348 1.909 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.431 -2.324 -0.551 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.718 -3.112 2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.133 -1.133 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.642 -0.583 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.528 -3.696 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.843 -4.661 0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.144 -3.300 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.762 -0.117 2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.875 -1.288 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.343 -1.846 2.933 1.00 0.00 H new ATOM 1089 N LYS A 73 -11.185 -4.358 1.349 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.857 -5.652 1.390 1.00 0.00 C ATOM 1091 C LYS A 73 -12.972 -5.726 0.350 1.00 0.00 C ATOM 1092 O LYS A 73 -13.399 -6.814 -0.038 1.00 0.00 O ATOM 1093 CB LYS A 73 -12.430 -5.911 2.785 1.00 0.00 C ATOM 1094 CG LYS A 73 -11.480 -6.663 3.704 1.00 0.00 C ATOM 1095 CD LYS A 73 -12.231 -7.389 4.810 1.00 0.00 C ATOM 1096 CE LYS A 73 -11.763 -8.828 4.951 1.00 0.00 C ATOM 1097 NZ LYS A 73 -10.325 -8.911 5.327 1.00 0.00 N ATOM 0 H LYS A 73 -11.419 -3.737 2.123 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.118 -6.419 1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.688 -4.957 3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.355 -6.479 2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.903 -7.382 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.769 -5.964 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.086 -6.864 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.300 -7.372 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.365 -9.333 5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.923 -9.355 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.063 -9.906 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.743 -8.512 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.163 -8.373 6.202 1.00 0.00 H new ATOM 1111 N SER A 74 -13.442 -4.564 -0.101 1.00 0.00 N ATOM 1112 CA SER A 74 -14.511 -4.499 -1.095 1.00 0.00 C ATOM 1113 C SER A 74 -14.209 -5.402 -2.290 1.00 0.00 C ATOM 1114 O SER A 74 -15.121 -5.891 -2.955 1.00 0.00 O ATOM 1115 CB SER A 74 -14.706 -3.058 -1.567 1.00 0.00 C ATOM 1116 OG SER A 74 -16.081 -2.761 -1.744 1.00 0.00 O ATOM 0 H SER A 74 -13.099 -3.654 0.207 1.00 0.00 H new ATOM 0 HA SER A 74 -15.429 -4.851 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.273 -2.372 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.174 -2.904 -2.506 1.00 0.00 H new ATOM 0 HG SER A 74 -16.179 -1.833 -2.044 1.00 0.00 H new ATOM 1122 N GLY A 75 -12.925 -5.619 -2.555 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.532 -6.460 -3.669 1.00 0.00 C ATOM 1124 C GLY A 75 -11.269 -7.250 -3.383 1.00 0.00 C ATOM 1125 O GLY A 75 -10.387 -6.782 -2.663 1.00 0.00 O ATOM 0 H GLY A 75 -12.151 -5.228 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.343 -7.150 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.377 -5.839 -4.551 1.00 0.00 H new ATOM 1129 N SER A 76 -11.182 -8.449 -3.950 1.00 0.00 N ATOM 1130 CA SER A 76 -10.017 -9.305 -3.751 1.00 0.00 C ATOM 1131 C SER A 76 -8.748 -8.615 -4.240 1.00 0.00 C ATOM 1132 O SER A 76 -7.714 -8.652 -3.574 1.00 0.00 O ATOM 1133 CB SER A 76 -10.204 -10.634 -4.484 1.00 0.00 C ATOM 1134 OG SER A 76 -10.687 -10.428 -5.800 1.00 0.00 O ATOM 0 H SER A 76 -11.903 -8.850 -4.550 1.00 0.00 H new ATOM 0 HA SER A 76 -9.916 -9.499 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.255 -11.169 -4.521 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.902 -11.262 -3.931 1.00 0.00 H new ATOM 0 HG SER A 76 -10.796 -11.293 -6.248 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.835 -7.985 -5.407 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.695 -7.285 -5.984 1.00 0.00 C ATOM 1142 C TYR A 77 -7.830 -5.778 -5.795 1.00 0.00 C ATOM 1143 O TYR A 77 -8.742 -5.155 -6.338 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.567 -7.615 -7.473 1.00 0.00 C ATOM 1145 CG TYR A 77 -7.082 -9.023 -7.742 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -7.775 -10.121 -7.251 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -5.932 -9.250 -8.488 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -7.334 -11.409 -7.495 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.486 -10.534 -8.736 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.190 -11.609 -8.238 1.00 0.00 C ATOM 1151 OH TYR A 77 -5.749 -12.890 -8.482 1.00 0.00 O ATOM 0 H TYR A 77 -9.684 -7.945 -5.971 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.796 -7.619 -5.467 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.536 -7.476 -7.952 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.878 -6.908 -7.935 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.672 -9.967 -6.670 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.378 -8.410 -8.880 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.883 -12.254 -7.106 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.590 -10.694 -9.317 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.931 -12.857 -9.021 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.920 -5.199 -5.021 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.939 -3.765 -4.759 1.00 0.00 C ATOM 1163 C VAL A 78 -5.709 -3.081 -5.347 1.00 0.00 C ATOM 1164 O VAL A 78 -4.585 -3.310 -4.901 1.00 0.00 O ATOM 1165 CB VAL A 78 -7.012 -3.470 -3.247 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.779 -4.006 -2.532 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -7.176 -1.977 -2.999 1.00 0.00 C ATOM 0 H VAL A 78 -6.159 -5.701 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.833 -3.367 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.886 -3.980 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.852 -3.787 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.714 -5.084 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.887 -3.531 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.226 -1.790 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.325 -1.442 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.095 -1.629 -3.471 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.931 -2.236 -6.349 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.843 -1.515 -6.996 1.00 0.00 C ATOM 1179 C ALA A 79 -4.794 -0.065 -6.529 1.00 0.00 C ATOM 1180 O ALA A 79 -5.614 0.757 -6.939 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.993 -1.580 -8.508 1.00 0.00 C ATOM 0 H ALA A 79 -6.855 -2.034 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.904 -1.992 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.173 -1.037 -8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.972 -2.621 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.941 -1.129 -8.799 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.831 0.242 -5.667 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.676 1.594 -5.142 1.00 0.00 C ATOM 1189 C LEU A 80 -2.281 2.136 -5.432 1.00 0.00 C ATOM 1190 O LEU A 80 -1.281 1.450 -5.227 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.939 1.609 -3.635 1.00 0.00 C ATOM 1192 CG LEU A 80 -3.084 0.637 -2.819 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -1.813 1.321 -2.336 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -3.876 0.088 -1.642 1.00 0.00 C ATOM 0 H LEU A 80 -3.146 -0.427 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.404 2.236 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.770 2.619 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.990 1.377 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.802 -0.197 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.217 0.615 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.236 1.665 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.074 2.174 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.252 -0.601 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.188 0.910 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.756 -0.439 -2.010 1.00 0.00 H new ATOM 1206 N THR A 81 -2.221 3.376 -5.908 1.00 0.00 N ATOM 1207 CA THR A 81 -0.948 4.015 -6.224 1.00 0.00 C ATOM 1208 C THR A 81 -0.336 4.647 -4.979 1.00 0.00 C ATOM 1209 O THR A 81 -0.955 5.492 -4.332 1.00 0.00 O ATOM 1210 CB THR A 81 -1.144 5.077 -7.308 1.00 0.00 C ATOM 1211 OG1 THR A 81 -1.714 4.506 -8.472 1.00 0.00 O ATOM 1212 CG2 THR A 81 0.145 5.760 -7.716 1.00 0.00 C ATOM 0 H THR A 81 -3.040 3.959 -6.083 1.00 0.00 H new ATOM 0 HA THR A 81 -0.265 3.250 -6.594 1.00 0.00 H new ATOM 0 HB THR A 81 -1.808 5.821 -6.867 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.833 5.201 -9.153 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.064 6.501 -8.487 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.586 6.253 -6.849 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.842 5.018 -8.105 1.00 0.00 H new ATOM 1220 N VAL A 82 0.882 4.232 -4.648 1.00 0.00 N ATOM 1221 CA VAL A 82 1.575 4.759 -3.478 1.00 0.00 C ATOM 1222 C VAL A 82 2.847 5.500 -3.875 1.00 0.00 C ATOM 1223 O VAL A 82 3.285 5.431 -5.023 1.00 0.00 O ATOM 1224 CB VAL A 82 1.940 3.636 -2.489 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.693 3.110 -1.795 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.676 2.513 -3.205 1.00 0.00 C ATOM 0 H VAL A 82 1.409 3.534 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 82 0.889 5.454 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 82 2.604 4.047 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.970 2.317 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.212 3.921 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.002 2.715 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.926 1.728 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.039 2.102 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.591 2.904 -3.650 1.00 0.00 H new ATOM 1236 N GLN A 83 3.435 6.207 -2.916 1.00 0.00 N ATOM 1237 CA GLN A 83 4.657 6.964 -3.161 1.00 0.00 C ATOM 1238 C GLN A 83 5.658 6.755 -2.030 1.00 0.00 C ATOM 1239 O GLN A 83 5.300 6.805 -0.853 1.00 0.00 O ATOM 1240 CB GLN A 83 4.340 8.453 -3.308 1.00 0.00 C ATOM 1241 CG GLN A 83 5.297 9.191 -4.228 1.00 0.00 C ATOM 1242 CD GLN A 83 4.791 10.566 -4.615 1.00 0.00 C ATOM 1243 OE1 GLN A 83 4.537 11.407 -3.618 1.00 0.00 O flip ATOM 1244 NE2 GLN A 83 4.628 10.871 -5.796 1.00 0.00 N flip ATOM 0 H GLN A 83 3.084 6.272 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 83 5.100 6.602 -4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.325 8.564 -3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.363 8.920 -2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.265 9.289 -3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.457 8.600 -5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.835 10.195 -6.531 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.286 11.800 -6.040 1.00 0.00 H new ATOM 1253 N GLY A 84 6.914 6.519 -2.394 1.00 0.00 N ATOM 1254 CA GLY A 84 7.946 6.304 -1.397 1.00 0.00 C ATOM 1255 C GLY A 84 8.352 7.583 -0.692 1.00 0.00 C ATOM 1256 O GLY A 84 8.371 7.641 0.537 1.00 0.00 O ATOM 0 H GLY A 84 7.235 6.473 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.589 5.585 -0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.821 5.863 -1.875 1.00 0.00 H new ATOM 1260 N ARG A 85 8.676 8.609 -1.472 1.00 0.00 N ATOM 1261 CA ARG A 85 9.085 9.896 -0.918 1.00 0.00 C ATOM 1262 C ARG A 85 10.371 9.755 -0.104 1.00 0.00 C ATOM 1263 O ARG A 85 10.574 8.751 0.580 1.00 0.00 O ATOM 1264 CB ARG A 85 7.971 10.477 -0.044 1.00 0.00 C ATOM 1265 CG ARG A 85 6.737 10.893 -0.828 1.00 0.00 C ATOM 1266 CD ARG A 85 6.947 12.225 -1.530 1.00 0.00 C ATOM 1267 NE ARG A 85 7.039 13.335 -0.585 1.00 0.00 N ATOM 1268 CZ ARG A 85 7.449 14.558 -0.915 1.00 0.00 C ATOM 1269 NH1 ARG A 85 7.806 14.831 -2.163 1.00 0.00 N ATOM 1270 NH2 ARG A 85 7.501 15.511 0.006 1.00 0.00 N ATOM 0 H ARG A 85 8.663 8.575 -2.491 1.00 0.00 H new ATOM 0 HA ARG A 85 9.276 10.577 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.684 9.737 0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.357 11.342 0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.497 10.126 -1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.884 10.966 -0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.858 12.180 -2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.123 12.404 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 85 6.774 13.163 0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.767 14.102 -2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.119 15.770 -2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.227 15.307 0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.815 16.448 -0.247 1.00 0.00 H new ATOM 1284 N PRO A 86 11.264 10.759 -0.167 1.00 0.00 N ATOM 1285 CA PRO A 86 12.534 10.733 0.568 1.00 0.00 C ATOM 1286 C PRO A 86 12.342 10.512 2.069 1.00 0.00 C ATOM 1287 O PRO A 86 13.003 9.659 2.662 1.00 0.00 O ATOM 1288 CB PRO A 86 13.139 12.114 0.302 1.00 0.00 C ATOM 1289 CG PRO A 86 12.492 12.585 -0.954 1.00 0.00 C ATOM 1290 CD PRO A 86 11.110 11.995 -0.958 1.00 0.00 C ATOM 0 HA PRO A 86 13.168 9.908 0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.941 12.797 1.128 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.222 12.055 0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.451 13.674 -0.987 1.00 0.00 H new ATOM 0 HG3 PRO A 86 13.057 12.261 -1.828 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.383 12.672 -0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.766 11.784 -1.971 1.00 0.00 H new ATOM 1298 N PRO A 87 11.437 11.277 2.711 1.00 0.00 N ATOM 1299 CA PRO A 87 11.180 11.145 4.147 1.00 0.00 C ATOM 1300 C PRO A 87 10.342 9.915 4.477 1.00 0.00 C ATOM 1301 O PRO A 87 10.040 9.104 3.601 1.00 0.00 O ATOM 1302 CB PRO A 87 10.411 12.422 4.481 1.00 0.00 C ATOM 1303 CG PRO A 87 9.700 12.770 3.221 1.00 0.00 C ATOM 1304 CD PRO A 87 10.597 12.326 2.096 1.00 0.00 C ATOM 0 HA PRO A 87 12.100 11.020 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 87 9.710 12.260 5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.084 13.221 4.790 1.00 0.00 H new ATOM 0 HG2 PRO A 87 8.733 12.269 3.169 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.508 13.841 3.166 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.022 11.937 1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.200 13.150 1.716 1.00 0.00 H new ATOM 1312 N GLY A 88 9.968 9.782 5.745 1.00 0.00 N ATOM 1313 CA GLY A 88 9.168 8.648 6.168 1.00 0.00 C ATOM 1314 C GLY A 88 7.700 8.995 6.313 1.00 0.00 C ATOM 1315 O GLY A 88 6.829 8.193 5.977 1.00 0.00 O ATOM 0 H GLY A 88 10.205 10.440 6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.277 7.840 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.546 8.276 7.120 1.00 0.00 H new ATOM 1319 N SER A 89 7.424 10.196 6.815 1.00 0.00 N ATOM 1320 CA SER A 89 6.051 10.648 7.004 1.00 0.00 C ATOM 1321 C SER A 89 5.304 9.730 7.967 1.00 0.00 C ATOM 1322 O SER A 89 4.109 9.991 8.225 1.00 0.00 O ATOM 1323 CB SER A 89 5.321 10.702 5.661 1.00 0.00 C ATOM 1324 OG SER A 89 6.070 11.425 4.700 1.00 0.00 O ATOM 1325 OXT SER A 89 5.918 8.757 8.453 1.00 0.00 O ATOM 0 H SER A 89 8.133 10.872 7.098 1.00 0.00 H new ATOM 0 HA SER A 89 6.080 11.649 7.434 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.143 9.689 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.345 11.170 5.793 1.00 0.00 H new ATOM 0 HG SER A 89 5.582 11.443 3.851 1.00 0.00 H new TER 1331 SER A 89