USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 904 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 83 LYS NZ :NH3+ -177:sc= 0.307 (180deg=0.211) USER MOD Set 1.2: A 121 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 48 TYR OH : rot 31:sc= 0.488 USER MOD Set 2.2: A 105 GLN : amide:sc= 0.448 K(o=0.94,f=-1.3) USER MOD Set 3.1: A 36 SER OG : rot -140:sc= 0.18 USER MOD Set 3.2: A 51 GLN : amide:sc= 0.192 X(o=0.37,f=0.048) USER MOD Single : A 14 SER OG : rot 45:sc= 0.379 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 40:sc= 0.152 USER MOD Single : A 26 GLN : amide:sc= -0.011 K(o=-0.011,f=-0.98) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= -0.69 (180deg=-1.08) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -3.83! C(o=-3.8!,f=-8.3!) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -152:sc= -2.93! USER MOD Single : A 46 CYS SG : rot -5:sc= 0.548 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -55:sc= 1.28 USER MOD Single : A 63 THR OG1 : rot -9:sc= 1.1 USER MOD Single : A 71 THR OG1 : rot -28:sc= 0.798 USER MOD Single : A 74 ASN : amide:sc= -0.0766 K(o=-0.077,f=-9.9!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0701 USER MOD Single : A 79 LYS NZ :NH3+ 138:sc= 0.657 (180deg=0.0588) USER MOD Single : A 81 LYS NZ :NH3+ 148:sc= -1.28 (180deg=-2.99!) USER MOD Single : A 82 THR OG1 : rot 161:sc= 0.729 USER MOD Single : A 88 LYS NZ :NH3+ 178:sc= 0.315 (180deg=0.301) USER MOD Single : A 89 MET CE :methyl -162:sc= 0 (180deg=-0.528) USER MOD Single : A 91 GLN : amide:sc= -0.663 K(o=-0.66,f=-1.3!) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.0169 (180deg=-0.205) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.007 X(o=-0.007,f=-0.044) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -2.34 K(o=-2.3,f=-8.9!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -2.43! C(o=-2.4!,f=-5.5!) USER MOD Single : A 116 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 119 GLN : amide:sc= -0.901 K(o=-0.9,f=0.58) USER MOD Single : A 124 HIS : no HD1:sc=-0.00343 X(o=-0.0034,f=-0.0098) USER MOD Single : A 127 LYS NZ :NH3+ -127:sc= 0.704 (180deg=-0.187) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 11.138 -11.755 15.872 1.00 0.00 N ATOM 2 CA GLY A 13 10.707 -11.107 14.611 1.00 0.00 C ATOM 3 C GLY A 13 10.991 -9.622 14.623 1.00 0.00 C ATOM 4 O GLY A 13 11.914 -9.169 15.299 1.00 0.00 O ATOM 0 HA2 GLY A 13 11.222 -11.570 13.769 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.640 -11.273 14.462 1.00 0.00 H new ATOM 10 N SER A 14 10.202 -8.862 13.881 1.00 0.00 N ATOM 11 CA SER A 14 10.367 -7.419 13.834 1.00 0.00 C ATOM 12 C SER A 14 9.054 -6.720 14.176 1.00 0.00 C ATOM 13 O SER A 14 8.216 -6.491 13.303 1.00 0.00 O ATOM 14 CB SER A 14 10.865 -6.989 12.450 1.00 0.00 C ATOM 15 OG SER A 14 10.031 -7.502 11.424 1.00 0.00 O ATOM 0 H SER A 14 9.441 -9.220 13.303 1.00 0.00 H new ATOM 0 HA SER A 14 11.111 -7.127 14.575 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.891 -5.901 12.392 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.886 -7.341 12.302 1.00 0.00 H new ATOM 0 HG SER A 14 9.091 -7.374 11.672 1.00 0.00 H new ATOM 21 N PRO A 15 8.843 -6.404 15.462 1.00 0.00 N ATOM 22 CA PRO A 15 7.641 -5.700 15.906 1.00 0.00 C ATOM 23 C PRO A 15 7.721 -4.197 15.651 1.00 0.00 C ATOM 24 O PRO A 15 6.698 -3.527 15.502 1.00 0.00 O ATOM 25 CB PRO A 15 7.607 -5.993 17.405 1.00 0.00 C ATOM 26 CG PRO A 15 9.037 -6.166 17.794 1.00 0.00 C ATOM 27 CD PRO A 15 9.745 -6.728 16.586 1.00 0.00 C ATOM 0 HA PRO A 15 6.749 -6.026 15.372 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.143 -5.175 17.957 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.028 -6.891 17.619 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.476 -5.214 18.093 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.128 -6.840 18.646 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.728 -6.276 16.453 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.899 -7.803 16.678 1.00 0.00 H new ATOM 35 N GLY A 16 8.941 -3.676 15.581 1.00 0.00 N ATOM 36 CA GLY A 16 9.131 -2.253 15.404 1.00 0.00 C ATOM 37 C GLY A 16 9.781 -1.917 14.081 1.00 0.00 C ATOM 38 O GLY A 16 10.831 -2.463 13.738 1.00 0.00 O ATOM 0 H GLY A 16 9.803 -4.218 15.644 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.166 -1.750 15.470 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.747 -1.868 16.216 1.00 0.00 H new ATOM 42 N ILE A 17 9.159 -1.023 13.332 1.00 0.00 N ATOM 43 CA ILE A 17 9.711 -0.579 12.065 1.00 0.00 C ATOM 44 C ILE A 17 10.570 0.668 12.276 1.00 0.00 C ATOM 45 O ILE A 17 10.351 1.414 13.231 1.00 0.00 O ATOM 46 CB ILE A 17 8.597 -0.326 11.023 1.00 0.00 C ATOM 47 CG1 ILE A 17 7.577 0.695 11.533 1.00 0.00 C ATOM 48 CG2 ILE A 17 7.926 -1.643 10.673 1.00 0.00 C ATOM 49 CD1 ILE A 17 6.403 0.901 10.599 1.00 0.00 C ATOM 0 H ILE A 17 8.270 -0.590 13.580 1.00 0.00 H new ATOM 0 HA ILE A 17 10.345 -1.372 11.668 1.00 0.00 H new ATOM 0 HB ILE A 17 9.046 0.095 10.123 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.204 0.369 12.504 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.079 1.650 11.688 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.140 -1.467 9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.665 -2.328 10.257 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.491 -2.080 11.572 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.723 1.638 11.027 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.764 1.257 9.634 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.876 -0.043 10.463 1.00 0.00 H new ATOM 61 N PRO A 18 11.558 0.903 11.394 1.00 0.00 N ATOM 62 CA PRO A 18 12.595 1.928 11.605 1.00 0.00 C ATOM 63 C PRO A 18 12.011 3.327 11.793 1.00 0.00 C ATOM 64 O PRO A 18 12.048 3.883 12.892 1.00 0.00 O ATOM 65 CB PRO A 18 13.439 1.854 10.326 1.00 0.00 C ATOM 66 CG PRO A 18 12.572 1.178 9.328 1.00 0.00 C ATOM 67 CD PRO A 18 11.730 0.217 10.104 1.00 0.00 C ATOM 0 HA PRO A 18 13.166 1.745 12.515 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.729 2.849 9.987 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.359 1.294 10.493 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.952 1.900 8.796 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.170 0.658 8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.774 0.030 9.615 1.00 0.00 H new ATOM 0 HD3 PRO A 18 12.222 -0.748 10.222 1.00 0.00 H new ATOM 75 N VAL A 19 11.487 3.894 10.717 1.00 0.00 N ATOM 76 CA VAL A 19 10.770 5.142 10.774 1.00 0.00 C ATOM 77 C VAL A 19 9.295 4.896 10.491 1.00 0.00 C ATOM 78 O VAL A 19 8.864 4.911 9.337 1.00 0.00 O ATOM 79 CB VAL A 19 11.334 6.156 9.771 1.00 0.00 C ATOM 80 CG1 VAL A 19 12.236 7.153 10.475 1.00 0.00 C ATOM 81 CG2 VAL A 19 12.098 5.444 8.672 1.00 0.00 C ATOM 0 H VAL A 19 11.552 3.494 9.781 1.00 0.00 H new ATOM 0 HA VAL A 19 10.888 5.559 11.774 1.00 0.00 H new ATOM 0 HB VAL A 19 10.500 6.697 9.323 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.628 7.865 9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.665 7.687 11.235 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.064 6.624 10.948 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.492 6.178 7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.923 4.881 9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.429 4.761 8.148 1.00 0.00 H new ATOM 91 N PRO A 20 8.521 4.622 11.549 1.00 0.00 N ATOM 92 CA PRO A 20 7.099 4.297 11.441 1.00 0.00 C ATOM 93 C PRO A 20 6.310 5.322 10.643 1.00 0.00 C ATOM 94 O PRO A 20 6.357 6.523 10.918 1.00 0.00 O ATOM 95 CB PRO A 20 6.603 4.286 12.884 1.00 0.00 C ATOM 96 CG PRO A 20 7.816 4.098 13.730 1.00 0.00 C ATOM 97 CD PRO A 20 8.991 4.609 12.939 1.00 0.00 C ATOM 0 HA PRO A 20 6.963 3.352 10.916 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.096 5.219 13.130 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.886 3.481 13.045 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.718 4.642 14.670 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.950 3.046 13.983 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.287 5.605 13.267 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.861 3.963 13.058 1.00 0.00 H new ATOM 105 N GLY A 21 5.596 4.831 9.654 1.00 0.00 N ATOM 106 CA GLY A 21 4.734 5.668 8.854 1.00 0.00 C ATOM 107 C GLY A 21 3.452 4.949 8.521 1.00 0.00 C ATOM 108 O GLY A 21 3.470 3.751 8.234 1.00 0.00 O ATOM 0 H GLY A 21 5.597 3.847 9.384 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.511 6.589 9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.246 5.953 7.935 1.00 0.00 H new ATOM 112 N LYS A 22 2.339 5.660 8.564 1.00 0.00 N ATOM 113 CA LYS A 22 1.040 5.043 8.345 1.00 0.00 C ATOM 114 C LYS A 22 0.003 6.078 7.939 1.00 0.00 C ATOM 115 O LYS A 22 -0.136 7.122 8.578 1.00 0.00 O ATOM 116 CB LYS A 22 0.590 4.308 9.610 1.00 0.00 C ATOM 117 CG LYS A 22 0.669 5.160 10.866 1.00 0.00 C ATOM 118 CD LYS A 22 0.284 4.372 12.102 1.00 0.00 C ATOM 119 CE LYS A 22 0.399 5.220 13.355 1.00 0.00 C ATOM 120 NZ LYS A 22 -0.043 4.483 14.566 1.00 0.00 N ATOM 0 H LYS A 22 2.307 6.663 8.748 1.00 0.00 H new ATOM 0 HA LYS A 22 1.135 4.326 7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.436 3.966 9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.207 3.420 9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.682 5.546 10.981 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.009 6.022 10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.738 4.008 12.000 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.927 3.497 12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.433 5.541 13.483 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.202 6.122 13.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.051 5.097 15.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.037 4.199 14.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.547 3.636 14.692 1.00 0.00 H new ATOM 134 N VAL A 23 -0.724 5.786 6.875 1.00 0.00 N ATOM 135 CA VAL A 23 -1.779 6.665 6.411 1.00 0.00 C ATOM 136 C VAL A 23 -2.990 5.823 6.024 1.00 0.00 C ATOM 137 O VAL A 23 -2.839 4.675 5.602 1.00 0.00 O ATOM 138 CB VAL A 23 -1.295 7.547 5.226 1.00 0.00 C ATOM 139 CG1 VAL A 23 -0.733 6.700 4.105 1.00 0.00 C ATOM 140 CG2 VAL A 23 -2.406 8.429 4.692 1.00 0.00 C ATOM 0 H VAL A 23 -0.601 4.943 6.315 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.061 7.347 7.213 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.504 8.188 5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.403 7.346 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.114 6.122 4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.504 6.022 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.028 9.030 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.229 7.806 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.762 9.087 5.485 1.00 0.00 H new ATOM 150 N THR A 24 -4.186 6.352 6.219 1.00 0.00 N ATOM 151 CA THR A 24 -5.386 5.608 5.887 1.00 0.00 C ATOM 152 C THR A 24 -6.121 6.252 4.714 1.00 0.00 C ATOM 153 O THR A 24 -6.463 7.439 4.740 1.00 0.00 O ATOM 154 CB THR A 24 -6.327 5.452 7.107 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.523 4.759 6.730 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.688 6.801 7.710 1.00 0.00 C ATOM 0 H THR A 24 -4.350 7.283 6.601 1.00 0.00 H new ATOM 0 HA THR A 24 -5.072 4.608 5.589 1.00 0.00 H new ATOM 0 HB THR A 24 -5.793 4.872 7.860 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.299 4.030 6.114 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.349 6.653 8.564 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.780 7.308 8.038 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.193 7.411 6.961 1.00 0.00 H new ATOM 164 N LEU A 25 -6.328 5.466 3.670 1.00 0.00 N ATOM 165 CA LEU A 25 -6.949 5.949 2.453 1.00 0.00 C ATOM 166 C LEU A 25 -8.125 5.069 2.068 1.00 0.00 C ATOM 167 O LEU A 25 -8.551 4.204 2.837 1.00 0.00 O ATOM 168 CB LEU A 25 -5.918 5.927 1.336 1.00 0.00 C ATOM 169 CG LEU A 25 -4.575 6.527 1.709 1.00 0.00 C ATOM 170 CD1 LEU A 25 -3.502 6.022 0.770 1.00 0.00 C ATOM 171 CD2 LEU A 25 -4.660 8.037 1.679 1.00 0.00 C ATOM 0 H LEU A 25 -6.071 4.479 3.645 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.313 6.964 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.766 4.895 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.318 6.468 0.478 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.310 6.220 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.542 6.458 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.440 4.936 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.750 6.307 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.693 8.461 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.935 8.366 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.414 8.373 2.391 1.00 0.00 H new ATOM 183 N GLN A 26 -8.623 5.276 0.864 1.00 0.00 N ATOM 184 CA GLN A 26 -9.722 4.504 0.346 1.00 0.00 C ATOM 185 C GLN A 26 -9.410 4.047 -1.052 1.00 0.00 C ATOM 186 O GLN A 26 -8.794 4.771 -1.824 1.00 0.00 O ATOM 187 CB GLN A 26 -11.021 5.299 0.385 1.00 0.00 C ATOM 188 CG GLN A 26 -11.561 5.451 1.789 1.00 0.00 C ATOM 189 CD GLN A 26 -12.726 6.411 1.877 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.837 7.350 1.087 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.601 6.185 2.841 1.00 0.00 N ATOM 0 H GLN A 26 -8.272 5.986 0.221 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.860 3.627 0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.853 6.286 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.766 4.803 -0.236 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.874 4.475 2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.762 5.799 2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.471 5.395 3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.407 6.800 2.953 1.00 0.00 H new ATOM 200 N LYS A 27 -9.829 2.829 -1.339 1.00 0.00 N ATOM 201 CA LYS A 27 -9.538 2.163 -2.605 1.00 0.00 C ATOM 202 C LYS A 27 -9.822 3.037 -3.815 1.00 0.00 C ATOM 203 O LYS A 27 -10.690 3.912 -3.799 1.00 0.00 O ATOM 204 CB LYS A 27 -10.385 0.906 -2.769 1.00 0.00 C ATOM 205 CG LYS A 27 -10.206 -0.132 -1.687 1.00 0.00 C ATOM 206 CD LYS A 27 -8.772 -0.576 -1.601 1.00 0.00 C ATOM 207 CE LYS A 27 -8.662 -2.031 -1.228 1.00 0.00 C ATOM 208 NZ LYS A 27 -9.249 -2.300 0.105 1.00 0.00 N ATOM 0 H LYS A 27 -10.386 2.265 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.474 1.929 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.435 1.196 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.149 0.450 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.522 0.279 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.845 -0.991 -1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.281 -0.408 -2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.247 0.030 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.168 -2.638 -1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.614 -2.329 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.080 -3.293 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.807 -1.677 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.273 -2.119 0.076 1.00 0.00 H new ATOM 222 N ASP A 28 -9.100 2.737 -4.874 1.00 0.00 N ATOM 223 CA ASP A 28 -9.311 3.358 -6.164 1.00 0.00 C ATOM 224 C ASP A 28 -10.388 2.573 -6.910 1.00 0.00 C ATOM 225 O ASP A 28 -10.902 1.592 -6.375 1.00 0.00 O ATOM 226 CB ASP A 28 -7.989 3.366 -6.945 1.00 0.00 C ATOM 227 CG ASP A 28 -8.067 4.125 -8.252 1.00 0.00 C ATOM 228 OD1 ASP A 28 -7.991 5.367 -8.228 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.215 3.479 -9.308 1.00 0.00 O ATOM 0 H ASP A 28 -8.345 2.051 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.643 4.390 -6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.211 3.808 -6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.689 2.338 -7.148 1.00 0.00 H new ATOM 234 N ALA A 29 -10.713 2.965 -8.132 1.00 0.00 N ATOM 235 CA ALA A 29 -11.725 2.264 -8.919 1.00 0.00 C ATOM 236 C ALA A 29 -11.340 0.799 -9.145 1.00 0.00 C ATOM 237 O ALA A 29 -12.190 -0.052 -9.404 1.00 0.00 O ATOM 238 CB ALA A 29 -11.918 2.968 -10.251 1.00 0.00 C ATOM 0 H ALA A 29 -10.292 3.765 -8.604 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.662 2.279 -8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.673 2.442 -10.835 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.243 3.994 -10.077 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.976 2.974 -10.799 1.00 0.00 H new ATOM 244 N GLN A 30 -10.051 0.517 -9.025 1.00 0.00 N ATOM 245 CA GLN A 30 -9.518 -0.804 -9.262 1.00 0.00 C ATOM 246 C GLN A 30 -9.406 -1.597 -7.965 1.00 0.00 C ATOM 247 O GLN A 30 -8.835 -2.688 -7.936 1.00 0.00 O ATOM 248 CB GLN A 30 -8.171 -0.632 -9.896 1.00 0.00 C ATOM 249 CG GLN A 30 -8.100 -1.143 -11.321 1.00 0.00 C ATOM 250 CD GLN A 30 -7.584 -2.565 -11.413 1.00 0.00 C ATOM 251 OE1 GLN A 30 -8.352 -3.526 -11.371 1.00 0.00 O ATOM 252 NE2 GLN A 30 -6.275 -2.708 -11.538 1.00 0.00 N ATOM 0 H GLN A 30 -9.347 1.206 -8.759 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.184 -1.367 -9.916 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.906 0.425 -9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.427 -1.154 -9.295 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.092 -1.092 -11.770 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.452 -0.488 -11.904 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.673 -1.885 -11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.868 -3.641 -11.604 1.00 0.00 H new ATOM 261 N ASN A 31 -9.930 -1.009 -6.892 1.00 0.00 N ATOM 262 CA ASN A 31 -9.963 -1.643 -5.564 1.00 0.00 C ATOM 263 C ASN A 31 -8.551 -1.789 -5.003 1.00 0.00 C ATOM 264 O ASN A 31 -8.228 -2.720 -4.268 1.00 0.00 O ATOM 265 CB ASN A 31 -10.662 -3.005 -5.631 1.00 0.00 C ATOM 266 CG ASN A 31 -10.765 -3.708 -4.286 1.00 0.00 C ATOM 267 OD1 ASN A 31 -10.915 -3.076 -3.236 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.664 -5.027 -4.311 1.00 0.00 N ATOM 0 H ASN A 31 -10.346 -0.078 -6.913 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.533 -1.001 -4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.664 -2.869 -6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.121 -3.647 -6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.709 -5.559 -3.442 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.541 -5.512 -5.200 1.00 0.00 H new ATOM 275 N LEU A 32 -7.704 -0.855 -5.354 1.00 0.00 N ATOM 276 CA LEU A 32 -6.344 -0.859 -4.860 1.00 0.00 C ATOM 277 C LEU A 32 -5.911 0.529 -4.453 1.00 0.00 C ATOM 278 O LEU A 32 -6.737 1.438 -4.375 1.00 0.00 O ATOM 279 CB LEU A 32 -5.409 -1.440 -5.919 1.00 0.00 C ATOM 280 CG LEU A 32 -5.644 -0.957 -7.361 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.290 0.511 -7.538 1.00 0.00 C ATOM 282 CD2 LEU A 32 -4.855 -1.807 -8.340 1.00 0.00 C ATOM 0 H LEU A 32 -7.929 -0.081 -5.979 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.296 -1.488 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.383 -1.202 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.501 -2.526 -5.901 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.709 -1.065 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.472 0.807 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.906 1.117 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.238 0.663 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.032 -1.452 -9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.792 -1.734 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.173 -2.846 -8.258 1.00 0.00 H new ATOM 294 N ILE A 33 -4.629 0.697 -4.188 1.00 0.00 N ATOM 295 CA ILE A 33 -4.134 1.977 -3.764 1.00 0.00 C ATOM 296 C ILE A 33 -3.419 2.704 -4.891 1.00 0.00 C ATOM 297 O ILE A 33 -3.386 3.930 -4.907 1.00 0.00 O ATOM 298 CB ILE A 33 -3.206 1.844 -2.551 1.00 0.00 C ATOM 299 CG1 ILE A 33 -2.987 0.370 -2.184 1.00 0.00 C ATOM 300 CG2 ILE A 33 -3.814 2.606 -1.383 1.00 0.00 C ATOM 301 CD1 ILE A 33 -1.887 0.165 -1.164 1.00 0.00 C ATOM 0 H ILE A 33 -3.923 -0.035 -4.260 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.001 2.570 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.231 2.266 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.917 -0.042 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.745 -0.190 -3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.163 2.519 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.923 3.657 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.793 2.189 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.784 -0.899 -0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.947 0.548 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.137 0.698 -0.247 1.00 0.00 H new ATOM 313 N GLY A 34 -2.873 1.952 -5.843 1.00 0.00 N ATOM 314 CA GLY A 34 -2.225 2.572 -6.987 1.00 0.00 C ATOM 315 C GLY A 34 -0.712 2.568 -6.894 1.00 0.00 C ATOM 316 O GLY A 34 -0.051 3.454 -7.440 1.00 0.00 O ATOM 0 H GLY A 34 -2.867 0.932 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.528 2.050 -7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.574 3.601 -7.080 1.00 0.00 H new ATOM 320 N ILE A 35 -0.157 1.575 -6.213 1.00 0.00 N ATOM 321 CA ILE A 35 1.292 1.483 -6.044 1.00 0.00 C ATOM 322 C ILE A 35 1.847 0.216 -6.669 1.00 0.00 C ATOM 323 O ILE A 35 1.107 -0.669 -7.104 1.00 0.00 O ATOM 324 CB ILE A 35 1.700 1.523 -4.553 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.910 0.492 -3.743 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.504 2.914 -3.975 1.00 0.00 C ATOM 327 CD1 ILE A 35 1.530 -0.886 -3.699 1.00 0.00 C ATOM 0 H ILE A 35 -0.683 0.823 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 35 1.713 2.351 -6.552 1.00 0.00 H new ATOM 0 HB ILE A 35 2.759 1.271 -4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.800 0.859 -2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.093 0.411 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.798 2.917 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.118 3.627 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.455 3.198 -4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.902 -1.549 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.615 -1.279 -4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.521 -0.825 -3.249 1.00 0.00 H new ATOM 339 N SER A 36 3.161 0.139 -6.697 1.00 0.00 N ATOM 340 CA SER A 36 3.856 -1.037 -7.173 1.00 0.00 C ATOM 341 C SER A 36 5.045 -1.341 -6.295 1.00 0.00 C ATOM 342 O SER A 36 5.886 -0.482 -6.034 1.00 0.00 O ATOM 343 CB SER A 36 4.284 -0.869 -8.624 1.00 0.00 C ATOM 344 OG SER A 36 3.142 -0.850 -9.447 1.00 0.00 O ATOM 0 H SER A 36 3.777 0.891 -6.390 1.00 0.00 H new ATOM 0 HA SER A 36 3.168 -1.881 -7.123 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.848 0.056 -8.744 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.944 -1.685 -8.917 1.00 0.00 H new ATOM 0 HG SER A 36 3.322 -1.355 -10.268 1.00 0.00 H new ATOM 350 N ILE A 37 5.088 -2.567 -5.838 1.00 0.00 N ATOM 351 CA ILE A 37 6.126 -3.008 -4.924 1.00 0.00 C ATOM 352 C ILE A 37 7.238 -3.742 -5.663 1.00 0.00 C ATOM 353 O ILE A 37 6.996 -4.657 -6.451 1.00 0.00 O ATOM 354 CB ILE A 37 5.565 -3.919 -3.812 1.00 0.00 C ATOM 355 CG1 ILE A 37 4.432 -3.211 -3.065 1.00 0.00 C ATOM 356 CG2 ILE A 37 6.667 -4.329 -2.841 1.00 0.00 C ATOM 357 CD1 ILE A 37 4.847 -1.901 -2.435 1.00 0.00 C ATOM 0 H ILE A 37 4.411 -3.289 -6.084 1.00 0.00 H new ATOM 0 HA ILE A 37 6.534 -2.109 -4.463 1.00 0.00 H new ATOM 0 HB ILE A 37 5.167 -4.821 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.611 -3.027 -3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.051 -3.874 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.249 -4.971 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.444 -4.871 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.097 -3.439 -2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.993 -1.457 -1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.647 -2.080 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.200 -1.220 -3.210 1.00 0.00 H new ATOM 369 N GLY A 38 8.452 -3.325 -5.387 1.00 0.00 N ATOM 370 CA GLY A 38 9.614 -3.927 -5.990 1.00 0.00 C ATOM 371 C GLY A 38 10.169 -5.024 -5.121 1.00 0.00 C ATOM 372 O GLY A 38 10.387 -4.826 -3.920 1.00 0.00 O ATOM 0 H GLY A 38 8.659 -2.563 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.352 -4.331 -6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.378 -3.167 -6.153 1.00 0.00 H new ATOM 376 N GLY A 39 10.382 -6.178 -5.719 1.00 0.00 N ATOM 377 CA GLY A 39 10.833 -7.324 -4.977 1.00 0.00 C ATOM 378 C GLY A 39 12.244 -7.177 -4.460 1.00 0.00 C ATOM 379 O GLY A 39 13.163 -6.901 -5.229 1.00 0.00 O ATOM 0 H GLY A 39 10.248 -6.341 -6.717 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.160 -7.493 -4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.776 -8.207 -5.613 1.00 0.00 H new ATOM 383 N GLY A 40 12.424 -7.351 -3.153 1.00 0.00 N ATOM 384 CA GLY A 40 13.748 -7.249 -2.590 1.00 0.00 C ATOM 385 C GLY A 40 14.611 -8.479 -2.788 1.00 0.00 C ATOM 386 O GLY A 40 15.811 -8.431 -2.521 1.00 0.00 O ATOM 0 H GLY A 40 11.682 -7.558 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.253 -6.391 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.661 -7.050 -1.522 1.00 0.00 H new ATOM 390 N ALA A 41 14.034 -9.580 -3.259 1.00 0.00 N ATOM 391 CA ALA A 41 14.794 -10.817 -3.356 1.00 0.00 C ATOM 392 C ALA A 41 14.311 -11.684 -4.508 1.00 0.00 C ATOM 393 O ALA A 41 13.507 -11.246 -5.327 1.00 0.00 O ATOM 394 CB ALA A 41 14.713 -11.580 -2.042 1.00 0.00 C ATOM 0 H ALA A 41 13.065 -9.640 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 41 15.834 -10.559 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 41 15.284 -12.505 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 41 15.125 -10.968 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 41 13.672 -11.815 -1.821 1.00 0.00 H new ATOM 400 N GLN A 42 14.818 -12.904 -4.577 1.00 0.00 N ATOM 401 CA GLN A 42 14.355 -13.866 -5.566 1.00 0.00 C ATOM 402 C GLN A 42 13.209 -14.687 -4.997 1.00 0.00 C ATOM 403 O GLN A 42 12.157 -14.824 -5.625 1.00 0.00 O ATOM 404 CB GLN A 42 15.493 -14.791 -5.994 1.00 0.00 C ATOM 405 CG GLN A 42 16.607 -14.088 -6.752 1.00 0.00 C ATOM 406 CD GLN A 42 17.751 -15.023 -7.086 1.00 0.00 C ATOM 407 OE1 GLN A 42 18.039 -15.965 -6.344 1.00 0.00 O ATOM 408 NE2 GLN A 42 18.411 -14.772 -8.204 1.00 0.00 N ATOM 0 H GLN A 42 15.551 -13.253 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 42 14.005 -13.318 -6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.914 -15.267 -5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 42 15.086 -15.585 -6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.206 -13.664 -7.673 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.982 -13.257 -6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.140 -13.982 -8.790 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.191 -15.368 -8.481 1.00 0.00 H new ATOM 417 N TYR A 43 13.419 -15.218 -3.798 1.00 0.00 N ATOM 418 CA TYR A 43 12.417 -16.038 -3.130 1.00 0.00 C ATOM 419 C TYR A 43 11.355 -15.175 -2.464 1.00 0.00 C ATOM 420 O TYR A 43 10.165 -15.464 -2.549 1.00 0.00 O ATOM 421 CB TYR A 43 13.073 -16.944 -2.086 1.00 0.00 C ATOM 422 CG TYR A 43 13.936 -18.038 -2.673 1.00 0.00 C ATOM 423 CD1 TYR A 43 13.362 -19.182 -3.211 1.00 0.00 C ATOM 424 CD2 TYR A 43 15.321 -17.933 -2.685 1.00 0.00 C ATOM 425 CE1 TYR A 43 14.142 -20.187 -3.745 1.00 0.00 C ATOM 426 CE2 TYR A 43 16.109 -18.934 -3.218 1.00 0.00 C ATOM 427 CZ TYR A 43 15.515 -20.058 -3.746 1.00 0.00 C ATOM 428 OH TYR A 43 16.297 -21.060 -4.276 1.00 0.00 O ATOM 0 H TYR A 43 14.280 -15.094 -3.266 1.00 0.00 H new ATOM 0 HA TYR A 43 11.936 -16.655 -3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 43 13.683 -16.332 -1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.294 -17.399 -1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.287 -19.287 -3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.790 -17.053 -2.270 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.680 -21.070 -4.160 1.00 0.00 H new ATOM 0 HE2 TYR A 43 17.185 -18.836 -3.221 1.00 0.00 H new ATOM 0 HH TYR A 43 17.242 -20.812 -4.200 1.00 0.00 H new ATOM 438 N CYS A 44 11.788 -14.104 -1.809 1.00 0.00 N ATOM 439 CA CYS A 44 10.868 -13.221 -1.098 1.00 0.00 C ATOM 440 C CYS A 44 10.940 -11.794 -1.641 1.00 0.00 C ATOM 441 O CYS A 44 11.386 -10.878 -0.950 1.00 0.00 O ATOM 442 CB CYS A 44 11.200 -13.225 0.394 1.00 0.00 C ATOM 443 SG CYS A 44 11.160 -14.867 1.148 1.00 0.00 S ATOM 0 H CYS A 44 12.768 -13.826 -1.755 1.00 0.00 H new ATOM 0 HA CYS A 44 9.854 -13.591 -1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.191 -12.794 0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.493 -12.579 0.915 1.00 0.00 H new ATOM 0 HG CYS A 44 10.858 -14.759 2.408 1.00 0.00 H new ATOM 449 N PRO A 45 10.516 -11.576 -2.894 1.00 0.00 N ATOM 450 CA PRO A 45 10.573 -10.267 -3.530 1.00 0.00 C ATOM 451 C PRO A 45 9.452 -9.335 -3.091 1.00 0.00 C ATOM 452 O PRO A 45 8.426 -9.206 -3.759 1.00 0.00 O ATOM 453 CB PRO A 45 10.458 -10.584 -5.027 1.00 0.00 C ATOM 454 CG PRO A 45 10.565 -12.061 -5.112 1.00 0.00 C ATOM 455 CD PRO A 45 9.991 -12.569 -3.829 1.00 0.00 C ATOM 0 HA PRO A 45 11.487 -9.737 -3.261 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.510 -10.232 -5.434 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.250 -10.097 -5.596 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.015 -12.447 -5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.602 -12.375 -5.231 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.901 -12.592 -3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.328 -13.579 -3.595 1.00 0.00 H new ATOM 463 N CYS A 46 9.665 -8.694 -1.958 1.00 0.00 N ATOM 464 CA CYS A 46 8.826 -7.598 -1.507 1.00 0.00 C ATOM 465 C CYS A 46 9.696 -6.634 -0.718 1.00 0.00 C ATOM 466 O CYS A 46 10.432 -7.084 0.143 1.00 0.00 O ATOM 467 CB CYS A 46 7.681 -8.116 -0.625 1.00 0.00 C ATOM 468 SG CYS A 46 6.625 -9.349 -1.425 1.00 0.00 S ATOM 0 H CYS A 46 10.429 -8.919 -1.320 1.00 0.00 H new ATOM 0 HA CYS A 46 8.382 -7.096 -2.366 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.104 -8.550 0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.065 -7.272 -0.317 1.00 0.00 H new ATOM 0 HG CYS A 46 6.988 -9.492 -2.665 1.00 0.00 H new ATOM 474 N LEU A 47 9.686 -5.351 -1.093 1.00 0.00 N ATOM 475 CA LEU A 47 10.350 -4.278 -0.338 1.00 0.00 C ATOM 476 C LEU A 47 9.864 -2.913 -0.782 1.00 0.00 C ATOM 477 O LEU A 47 8.857 -2.379 -0.308 1.00 0.00 O ATOM 478 CB LEU A 47 11.871 -4.281 -0.556 1.00 0.00 C ATOM 479 CG LEU A 47 12.615 -5.393 0.120 1.00 0.00 C ATOM 480 CD1 LEU A 47 14.108 -5.298 -0.145 1.00 0.00 C ATOM 481 CD2 LEU A 47 12.322 -5.358 1.597 1.00 0.00 C ATOM 0 H LEU A 47 9.214 -5.023 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 47 10.110 -4.465 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.067 -4.334 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.273 -3.331 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 47 12.279 -6.346 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.620 -6.118 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.292 -5.360 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.485 -4.348 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.861 -6.165 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.642 -4.401 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.251 -5.483 1.759 1.00 0.00 H new ATOM 493 N TYR A 48 10.625 -2.400 -1.725 1.00 0.00 N ATOM 494 CA TYR A 48 10.498 -1.036 -2.230 1.00 0.00 C ATOM 495 C TYR A 48 9.123 -0.767 -2.818 1.00 0.00 C ATOM 496 O TYR A 48 8.472 -1.668 -3.335 1.00 0.00 O ATOM 497 CB TYR A 48 11.534 -0.789 -3.336 1.00 0.00 C ATOM 498 CG TYR A 48 12.900 -1.390 -3.082 1.00 0.00 C ATOM 499 CD1 TYR A 48 13.887 -0.678 -2.413 1.00 0.00 C ATOM 500 CD2 TYR A 48 13.206 -2.671 -3.529 1.00 0.00 C ATOM 501 CE1 TYR A 48 15.138 -1.226 -2.196 1.00 0.00 C ATOM 502 CE2 TYR A 48 14.452 -3.225 -3.312 1.00 0.00 C ATOM 503 CZ TYR A 48 15.414 -2.498 -2.648 1.00 0.00 C ATOM 504 OH TYR A 48 16.660 -3.049 -2.437 1.00 0.00 O ATOM 0 H TYR A 48 11.371 -2.928 -2.178 1.00 0.00 H new ATOM 0 HA TYR A 48 10.658 -0.371 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.146 -1.190 -4.272 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.647 0.286 -3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.674 0.319 -2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.456 -3.243 -4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 48 15.895 -0.659 -1.675 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.671 -4.223 -3.661 1.00 0.00 H new ATOM 0 HH TYR A 48 17.034 -2.701 -1.600 1.00 0.00 H new ATOM 514 N ILE A 49 8.684 0.474 -2.739 1.00 0.00 N ATOM 515 CA ILE A 49 7.577 0.926 -3.555 1.00 0.00 C ATOM 516 C ILE A 49 8.170 1.668 -4.762 1.00 0.00 C ATOM 517 O ILE A 49 8.687 2.786 -4.655 1.00 0.00 O ATOM 518 CB ILE A 49 6.562 1.786 -2.740 1.00 0.00 C ATOM 519 CG1 ILE A 49 5.282 2.056 -3.537 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.173 3.100 -2.299 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.370 3.264 -4.446 1.00 0.00 C ATOM 0 H ILE A 49 9.076 1.184 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 49 6.990 0.078 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 49 6.305 1.205 -1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.047 1.177 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.455 2.196 -2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.437 3.672 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.041 2.904 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.481 3.670 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.426 3.390 -4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.573 4.154 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.175 3.119 -5.167 1.00 0.00 H new ATOM 533 N VAL A 50 8.152 1.001 -5.903 1.00 0.00 N ATOM 534 CA VAL A 50 8.897 1.455 -7.067 1.00 0.00 C ATOM 535 C VAL A 50 8.182 2.582 -7.798 1.00 0.00 C ATOM 536 O VAL A 50 8.829 3.453 -8.385 1.00 0.00 O ATOM 537 CB VAL A 50 9.166 0.291 -8.047 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.930 0.768 -9.275 1.00 0.00 C ATOM 539 CG2 VAL A 50 9.933 -0.819 -7.348 1.00 0.00 C ATOM 0 H VAL A 50 7.627 0.139 -6.050 1.00 0.00 H new ATOM 0 HA VAL A 50 9.848 1.837 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 50 8.204 -0.098 -8.380 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.104 -0.074 -9.945 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.347 1.530 -9.793 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.887 1.190 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.116 -1.633 -8.050 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.885 -0.431 -6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.349 -1.190 -6.506 1.00 0.00 H new ATOM 549 N GLN A 51 6.862 2.602 -7.728 1.00 0.00 N ATOM 550 CA GLN A 51 6.100 3.548 -8.513 1.00 0.00 C ATOM 551 C GLN A 51 4.709 3.700 -7.938 1.00 0.00 C ATOM 552 O GLN A 51 4.178 2.788 -7.299 1.00 0.00 O ATOM 553 CB GLN A 51 6.010 3.111 -9.984 1.00 0.00 C ATOM 554 CG GLN A 51 4.695 2.436 -10.340 1.00 0.00 C ATOM 555 CD GLN A 51 4.661 1.907 -11.755 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.292 2.457 -12.655 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.922 0.833 -11.958 1.00 0.00 N ATOM 0 H GLN A 51 6.304 1.981 -7.142 1.00 0.00 H new ATOM 0 HA GLN A 51 6.616 4.507 -8.474 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.145 3.984 -10.622 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.830 2.427 -10.202 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.517 1.614 -9.647 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.881 3.148 -10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.415 0.409 -11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.858 0.427 -12.891 1.00 0.00 H new ATOM 566 N VAL A 52 4.144 4.856 -8.161 1.00 0.00 N ATOM 567 CA VAL A 52 2.796 5.153 -7.752 1.00 0.00 C ATOM 568 C VAL A 52 2.143 6.003 -8.835 1.00 0.00 C ATOM 569 O VAL A 52 2.837 6.591 -9.667 1.00 0.00 O ATOM 570 CB VAL A 52 2.778 5.889 -6.398 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.353 7.289 -6.531 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.379 5.919 -5.807 1.00 0.00 C ATOM 0 H VAL A 52 4.611 5.627 -8.637 1.00 0.00 H new ATOM 0 HA VAL A 52 2.240 4.224 -7.622 1.00 0.00 H new ATOM 0 HB VAL A 52 3.413 5.334 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.328 7.786 -5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.383 7.227 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.760 7.859 -7.246 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.399 6.445 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.706 6.435 -6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.027 4.899 -5.652 1.00 0.00 H new ATOM 582 N PHE A 53 0.830 6.057 -8.845 1.00 0.00 N ATOM 583 CA PHE A 53 0.120 6.849 -9.813 1.00 0.00 C ATOM 584 C PHE A 53 -0.550 8.017 -9.109 1.00 0.00 C ATOM 585 O PHE A 53 -1.300 7.849 -8.155 1.00 0.00 O ATOM 586 CB PHE A 53 -0.880 5.993 -10.591 1.00 0.00 C ATOM 587 CG PHE A 53 -0.227 4.937 -11.436 1.00 0.00 C ATOM 588 CD1 PHE A 53 0.196 5.226 -12.722 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.031 3.656 -10.943 1.00 0.00 C ATOM 590 CE1 PHE A 53 0.802 4.260 -13.500 1.00 0.00 C ATOM 591 CE2 PHE A 53 0.576 2.685 -11.716 1.00 0.00 C ATOM 592 CZ PHE A 53 0.993 2.988 -12.998 1.00 0.00 C ATOM 0 H PHE A 53 0.232 5.557 -8.187 1.00 0.00 H new ATOM 0 HA PHE A 53 0.822 7.248 -10.545 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.563 5.515 -9.888 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.481 6.640 -11.230 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.050 6.219 -13.121 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.357 3.414 -9.942 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.127 4.499 -14.502 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.724 1.692 -11.319 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.467 2.232 -13.606 1.00 0.00 H new ATOM 602 N ASP A 54 -0.250 9.183 -9.619 1.00 0.00 N ATOM 603 CA ASP A 54 -0.528 10.485 -8.985 1.00 0.00 C ATOM 604 C ASP A 54 -1.982 10.663 -8.529 1.00 0.00 C ATOM 605 O ASP A 54 -2.252 11.367 -7.556 1.00 0.00 O ATOM 606 CB ASP A 54 -0.149 11.600 -9.968 1.00 0.00 C ATOM 607 CG ASP A 54 -0.460 12.992 -9.454 1.00 0.00 C ATOM 608 OD1 ASP A 54 0.227 13.462 -8.526 1.00 0.00 O ATOM 609 OD2 ASP A 54 -1.387 13.633 -9.986 1.00 0.00 O ATOM 0 H ASP A 54 0.214 9.276 -10.523 1.00 0.00 H new ATOM 0 HA ASP A 54 0.073 10.532 -8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.916 11.532 -10.188 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.679 11.441 -10.907 1.00 0.00 H new ATOM 614 N ASN A 55 -2.901 10.012 -9.212 1.00 0.00 N ATOM 615 CA ASN A 55 -4.323 10.213 -8.983 1.00 0.00 C ATOM 616 C ASN A 55 -4.899 9.079 -8.164 1.00 0.00 C ATOM 617 O ASN A 55 -6.114 8.967 -8.008 1.00 0.00 O ATOM 618 CB ASN A 55 -5.084 10.341 -10.302 1.00 0.00 C ATOM 619 CG ASN A 55 -4.790 11.649 -11.004 1.00 0.00 C ATOM 620 OD1 ASN A 55 -5.437 12.663 -10.746 1.00 0.00 O ATOM 621 ND2 ASN A 55 -3.816 11.637 -11.897 1.00 0.00 N ATOM 0 H ASN A 55 -2.688 9.330 -9.940 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.438 11.144 -8.428 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.817 9.511 -10.956 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.154 10.265 -10.111 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.576 12.490 -12.402 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.304 10.774 -12.081 1.00 0.00 H new ATOM 628 N THR A 56 -4.028 8.234 -7.649 1.00 0.00 N ATOM 629 CA THR A 56 -4.464 7.110 -6.854 1.00 0.00 C ATOM 630 C THR A 56 -4.393 7.505 -5.408 1.00 0.00 C ATOM 631 O THR A 56 -3.520 8.289 -5.058 1.00 0.00 O ATOM 632 CB THR A 56 -3.574 5.877 -7.080 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.270 6.106 -6.526 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.437 5.598 -8.555 1.00 0.00 C ATOM 0 H THR A 56 -3.018 8.306 -7.768 1.00 0.00 H new ATOM 0 HA THR A 56 -5.481 6.848 -7.146 1.00 0.00 H new ATOM 0 HB THR A 56 -4.037 5.021 -6.589 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.895 6.929 -6.902 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.805 4.723 -8.703 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.422 5.410 -8.983 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.985 6.459 -9.048 1.00 0.00 H new ATOM 642 N PRO A 57 -5.276 6.993 -4.547 1.00 0.00 N ATOM 643 CA PRO A 57 -5.319 7.400 -3.145 1.00 0.00 C ATOM 644 C PRO A 57 -3.926 7.399 -2.527 1.00 0.00 C ATOM 645 O PRO A 57 -3.563 8.303 -1.775 1.00 0.00 O ATOM 646 CB PRO A 57 -6.196 6.330 -2.482 1.00 0.00 C ATOM 647 CG PRO A 57 -6.384 5.264 -3.517 1.00 0.00 C ATOM 648 CD PRO A 57 -6.265 5.952 -4.840 1.00 0.00 C ATOM 0 HA PRO A 57 -5.704 8.412 -3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.717 5.929 -1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.154 6.747 -2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.631 4.482 -3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.357 4.785 -3.412 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.926 5.275 -5.624 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.215 6.372 -5.170 1.00 0.00 H new ATOM 656 N ALA A 58 -3.149 6.386 -2.900 1.00 0.00 N ATOM 657 CA ALA A 58 -1.773 6.229 -2.443 1.00 0.00 C ATOM 658 C ALA A 58 -0.919 7.457 -2.751 1.00 0.00 C ATOM 659 O ALA A 58 -0.332 8.048 -1.846 1.00 0.00 O ATOM 660 CB ALA A 58 -1.156 4.998 -3.073 1.00 0.00 C ATOM 0 H ALA A 58 -3.459 5.647 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.800 6.114 -1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.128 4.888 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.731 4.117 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.164 5.102 -4.158 1.00 0.00 H new ATOM 666 N ALA A 59 -0.837 7.840 -4.022 1.00 0.00 N ATOM 667 CA ALA A 59 -0.054 9.019 -4.394 1.00 0.00 C ATOM 668 C ALA A 59 -0.775 10.278 -3.961 1.00 0.00 C ATOM 669 O ALA A 59 -0.226 11.121 -3.251 1.00 0.00 O ATOM 670 CB ALA A 59 0.173 9.060 -5.891 1.00 0.00 C ATOM 0 H ALA A 59 -1.293 7.363 -4.800 1.00 0.00 H new ATOM 0 HA ALA A 59 0.912 8.960 -3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.757 9.944 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.714 8.166 -6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.788 9.099 -6.404 1.00 0.00 H new ATOM 676 N LEU A 60 -2.012 10.367 -4.415 1.00 0.00 N ATOM 677 CA LEU A 60 -2.901 11.488 -4.165 1.00 0.00 C ATOM 678 C LEU A 60 -2.869 11.958 -2.703 1.00 0.00 C ATOM 679 O LEU A 60 -2.276 12.991 -2.383 1.00 0.00 O ATOM 680 CB LEU A 60 -4.306 10.990 -4.526 1.00 0.00 C ATOM 681 CG LEU A 60 -5.379 12.020 -4.873 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.665 12.954 -3.709 1.00 0.00 C ATOM 683 CD2 LEU A 60 -4.978 12.799 -6.112 1.00 0.00 C ATOM 0 H LEU A 60 -2.440 9.638 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.593 12.349 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.210 10.313 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.673 10.399 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.303 11.482 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.434 13.671 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.013 12.374 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.754 13.488 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.751 13.530 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.035 13.315 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.859 12.113 -6.950 1.00 0.00 H new ATOM 695 N ASP A 61 -3.507 11.197 -1.828 1.00 0.00 N ATOM 696 CA ASP A 61 -3.647 11.587 -0.430 1.00 0.00 C ATOM 697 C ASP A 61 -2.593 10.926 0.455 1.00 0.00 C ATOM 698 O ASP A 61 -2.142 11.504 1.446 1.00 0.00 O ATOM 699 CB ASP A 61 -5.057 11.245 0.060 1.00 0.00 C ATOM 700 CG ASP A 61 -5.360 11.818 1.430 1.00 0.00 C ATOM 701 OD1 ASP A 61 -5.669 13.027 1.516 1.00 0.00 O ATOM 702 OD2 ASP A 61 -5.317 11.065 2.422 1.00 0.00 O ATOM 0 H ASP A 61 -3.938 10.302 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.490 12.663 -0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.787 11.623 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.173 10.162 0.091 1.00 0.00 H new ATOM 707 N GLY A 62 -2.193 9.719 0.070 1.00 0.00 N ATOM 708 CA GLY A 62 -1.430 8.848 0.958 1.00 0.00 C ATOM 709 C GLY A 62 0.004 9.267 1.192 1.00 0.00 C ATOM 710 O GLY A 62 0.529 9.076 2.285 1.00 0.00 O ATOM 0 H GLY A 62 -2.384 9.321 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.940 8.800 1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.435 7.840 0.544 1.00 0.00 H new ATOM 714 N THR A 63 0.634 9.792 0.152 1.00 0.00 N ATOM 715 CA THR A 63 2.036 10.231 0.181 1.00 0.00 C ATOM 716 C THR A 63 2.968 9.048 0.400 1.00 0.00 C ATOM 717 O THR A 63 4.096 9.181 0.876 1.00 0.00 O ATOM 718 CB THR A 63 2.300 11.353 1.214 1.00 0.00 C ATOM 719 OG1 THR A 63 2.228 10.870 2.564 1.00 0.00 O ATOM 720 CG2 THR A 63 1.280 12.448 1.017 1.00 0.00 C ATOM 0 H THR A 63 0.186 9.931 -0.754 1.00 0.00 H new ATOM 0 HA THR A 63 2.247 10.665 -0.796 1.00 0.00 H new ATOM 0 HB THR A 63 3.310 11.731 1.054 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.876 9.955 2.566 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.457 13.244 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.367 12.849 0.007 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.279 12.043 1.161 1.00 0.00 H new ATOM 728 N VAL A 64 2.459 7.891 0.029 1.00 0.00 N ATOM 729 CA VAL A 64 3.226 6.648 0.044 1.00 0.00 C ATOM 730 C VAL A 64 3.822 6.397 -1.336 1.00 0.00 C ATOM 731 O VAL A 64 3.731 5.303 -1.896 1.00 0.00 O ATOM 732 CB VAL A 64 2.345 5.447 0.436 1.00 0.00 C ATOM 733 CG1 VAL A 64 1.866 5.579 1.864 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.161 5.337 -0.504 1.00 0.00 C ATOM 0 H VAL A 64 1.498 7.779 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 64 4.018 6.753 0.786 1.00 0.00 H new ATOM 0 HB VAL A 64 2.945 4.541 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.245 4.720 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.725 5.619 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.282 6.493 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.546 4.484 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.566 6.249 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.518 5.199 -1.524 1.00 0.00 H new ATOM 744 N ALA A 65 4.450 7.420 -1.868 1.00 0.00 N ATOM 745 CA ALA A 65 4.892 7.407 -3.247 1.00 0.00 C ATOM 746 C ALA A 65 6.246 6.736 -3.403 1.00 0.00 C ATOM 747 O ALA A 65 6.840 6.271 -2.429 1.00 0.00 O ATOM 748 CB ALA A 65 4.934 8.824 -3.790 1.00 0.00 C ATOM 0 H ALA A 65 4.669 8.279 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 65 4.175 6.822 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.267 8.806 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.938 9.264 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.627 9.421 -3.197 1.00 0.00 H new ATOM 754 N ALA A 66 6.724 6.696 -4.640 1.00 0.00 N ATOM 755 CA ALA A 66 7.949 5.994 -4.984 1.00 0.00 C ATOM 756 C ALA A 66 9.119 6.426 -4.106 1.00 0.00 C ATOM 757 O ALA A 66 9.312 7.618 -3.846 1.00 0.00 O ATOM 758 CB ALA A 66 8.268 6.223 -6.451 1.00 0.00 C ATOM 0 H ALA A 66 6.271 7.151 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 66 7.793 4.930 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.187 5.697 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.449 5.847 -7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.397 7.290 -6.633 1.00 0.00 H new ATOM 764 N GLY A 67 9.881 5.452 -3.631 1.00 0.00 N ATOM 765 CA GLY A 67 11.039 5.752 -2.817 1.00 0.00 C ATOM 766 C GLY A 67 10.906 5.248 -1.395 1.00 0.00 C ATOM 767 O GLY A 67 11.878 5.246 -0.641 1.00 0.00 O ATOM 0 H GLY A 67 9.717 4.459 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.923 5.307 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.197 6.830 -2.802 1.00 0.00 H new ATOM 771 N ASP A 68 9.708 4.822 -1.019 1.00 0.00 N ATOM 772 CA ASP A 68 9.477 4.293 0.319 1.00 0.00 C ATOM 773 C ASP A 68 9.440 2.769 0.292 1.00 0.00 C ATOM 774 O ASP A 68 9.583 2.160 -0.770 1.00 0.00 O ATOM 775 CB ASP A 68 8.163 4.841 0.883 1.00 0.00 C ATOM 776 CG ASP A 68 8.251 6.306 1.265 1.00 0.00 C ATOM 777 OD1 ASP A 68 8.780 6.613 2.350 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.796 7.164 0.478 1.00 0.00 O ATOM 0 H ASP A 68 8.883 4.832 -1.619 1.00 0.00 H new ATOM 0 HA ASP A 68 10.298 4.609 0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.373 4.710 0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.878 4.259 1.759 1.00 0.00 H new ATOM 783 N GLU A 69 9.275 2.159 1.456 1.00 0.00 N ATOM 784 CA GLU A 69 9.105 0.715 1.555 1.00 0.00 C ATOM 785 C GLU A 69 7.765 0.427 2.224 1.00 0.00 C ATOM 786 O GLU A 69 7.361 1.156 3.127 1.00 0.00 O ATOM 787 CB GLU A 69 10.217 0.083 2.398 1.00 0.00 C ATOM 788 CG GLU A 69 11.613 0.618 2.125 1.00 0.00 C ATOM 789 CD GLU A 69 12.149 0.252 0.760 1.00 0.00 C ATOM 790 OE1 GLU A 69 12.297 -0.951 0.477 1.00 0.00 O ATOM 791 OE2 GLU A 69 12.477 1.176 -0.016 1.00 0.00 O ATOM 0 H GLU A 69 9.255 2.645 2.353 1.00 0.00 H new ATOM 0 HA GLU A 69 9.144 0.291 0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.985 0.237 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.216 -0.993 2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.602 1.704 2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.294 0.237 2.887 1.00 0.00 H new ATOM 798 N ILE A 70 7.079 -0.619 1.795 1.00 0.00 N ATOM 799 CA ILE A 70 5.803 -0.978 2.406 1.00 0.00 C ATOM 800 C ILE A 70 5.983 -2.199 3.300 1.00 0.00 C ATOM 801 O ILE A 70 6.310 -3.285 2.821 1.00 0.00 O ATOM 802 CB ILE A 70 4.716 -1.262 1.345 1.00 0.00 C ATOM 803 CG1 ILE A 70 4.563 -0.072 0.393 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.384 -1.588 2.012 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.187 1.221 1.076 1.00 0.00 C ATOM 0 H ILE A 70 7.377 -1.231 1.035 1.00 0.00 H new ATOM 0 HA ILE A 70 5.471 -0.128 3.002 1.00 0.00 H new ATOM 0 HB ILE A 70 5.029 -2.128 0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.501 0.073 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.803 -0.311 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.633 -1.785 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.499 -2.469 2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.067 -0.743 2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.099 2.013 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.234 1.097 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.957 1.487 1.800 1.00 0.00 H new ATOM 817 N THR A 71 5.767 -2.020 4.595 1.00 0.00 N ATOM 818 CA THR A 71 6.051 -3.069 5.559 1.00 0.00 C ATOM 819 C THR A 71 4.779 -3.598 6.229 1.00 0.00 C ATOM 820 O THR A 71 4.846 -4.482 7.089 1.00 0.00 O ATOM 821 CB THR A 71 7.048 -2.572 6.635 1.00 0.00 C ATOM 822 OG1 THR A 71 7.361 -3.622 7.562 1.00 0.00 O ATOM 823 CG2 THR A 71 6.487 -1.374 7.389 1.00 0.00 C ATOM 0 H THR A 71 5.397 -1.160 5.000 1.00 0.00 H new ATOM 0 HA THR A 71 6.502 -3.893 5.006 1.00 0.00 H new ATOM 0 HB THR A 71 7.960 -2.267 6.122 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.609 -4.248 7.613 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.207 -1.046 8.138 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.295 -0.561 6.689 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.556 -1.657 7.880 1.00 0.00 H new ATOM 831 N GLY A 72 3.619 -3.078 5.844 1.00 0.00 N ATOM 832 CA GLY A 72 2.390 -3.601 6.403 1.00 0.00 C ATOM 833 C GLY A 72 1.148 -3.236 5.624 1.00 0.00 C ATOM 834 O GLY A 72 1.040 -2.143 5.062 1.00 0.00 O ATOM 0 H GLY A 72 3.509 -2.320 5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.463 -4.687 6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.285 -3.235 7.424 1.00 0.00 H new ATOM 838 N VAL A 73 0.205 -4.171 5.620 1.00 0.00 N ATOM 839 CA VAL A 73 -1.061 -4.016 4.940 1.00 0.00 C ATOM 840 C VAL A 73 -2.174 -3.897 5.955 1.00 0.00 C ATOM 841 O VAL A 73 -2.115 -4.532 7.002 1.00 0.00 O ATOM 842 CB VAL A 73 -1.377 -5.243 4.054 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.209 -5.578 3.175 1.00 0.00 C ATOM 844 CG2 VAL A 73 -1.752 -6.463 4.887 1.00 0.00 C ATOM 0 H VAL A 73 0.306 -5.067 6.097 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.990 -3.122 4.321 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.233 -4.976 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.453 -6.444 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.017 -4.728 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.659 -5.805 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.966 -7.303 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.923 -6.722 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.635 -6.238 5.485 1.00 0.00 H new ATOM 854 N ASN A 74 -3.168 -3.074 5.671 1.00 0.00 N ATOM 855 CA ASN A 74 -4.426 -3.129 6.410 1.00 0.00 C ATOM 856 C ASN A 74 -4.200 -2.968 7.933 1.00 0.00 C ATOM 857 O ASN A 74 -4.974 -3.454 8.754 1.00 0.00 O ATOM 858 CB ASN A 74 -5.095 -4.472 6.060 1.00 0.00 C ATOM 859 CG ASN A 74 -6.418 -4.725 6.746 1.00 0.00 C ATOM 860 OD1 ASN A 74 -6.727 -5.860 7.103 1.00 0.00 O ATOM 861 ND2 ASN A 74 -7.221 -3.699 6.906 1.00 0.00 N ATOM 0 H ASN A 74 -3.134 -2.363 4.940 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.076 -2.301 6.126 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.248 -4.514 4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.410 -5.280 6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.135 -3.830 7.339 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.931 -2.771 6.597 1.00 0.00 H new ATOM 868 N GLY A 75 -3.116 -2.291 8.301 1.00 0.00 N ATOM 869 CA GLY A 75 -2.828 -2.047 9.707 1.00 0.00 C ATOM 870 C GLY A 75 -1.932 -3.108 10.338 1.00 0.00 C ATOM 871 O GLY A 75 -1.402 -2.905 11.430 1.00 0.00 O ATOM 0 H GLY A 75 -2.430 -1.906 7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.350 -1.073 9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.767 -2.000 10.259 1.00 0.00 H new ATOM 875 N ARG A 76 -1.775 -4.240 9.661 1.00 0.00 N ATOM 876 CA ARG A 76 -0.949 -5.323 10.123 1.00 0.00 C ATOM 877 C ARG A 76 0.303 -5.440 9.258 1.00 0.00 C ATOM 878 O ARG A 76 0.424 -4.744 8.259 1.00 0.00 O ATOM 879 CB ARG A 76 -1.771 -6.604 10.078 1.00 0.00 C ATOM 880 CG ARG A 76 -2.720 -6.691 8.894 1.00 0.00 C ATOM 881 CD ARG A 76 -3.671 -7.872 9.013 1.00 0.00 C ATOM 882 NE ARG A 76 -4.796 -7.760 8.081 1.00 0.00 N ATOM 883 CZ ARG A 76 -5.280 -8.767 7.350 1.00 0.00 C ATOM 884 NH1 ARG A 76 -4.747 -9.979 7.430 1.00 0.00 N ATOM 885 NH2 ARG A 76 -6.314 -8.556 6.546 1.00 0.00 N ATOM 0 H ARG A 76 -2.228 -4.423 8.766 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.621 -5.139 11.146 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.093 -7.457 10.050 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.348 -6.685 10.999 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.295 -5.768 8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.144 -6.781 7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.128 -8.797 8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.049 -7.933 10.034 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.241 -6.847 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.959 -10.149 8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.125 -10.741 6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.735 -7.629 6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.688 -9.321 5.985 1.00 0.00 H new ATOM 899 N SER A 77 1.239 -6.292 9.650 1.00 0.00 N ATOM 900 CA SER A 77 2.465 -6.491 8.877 1.00 0.00 C ATOM 901 C SER A 77 2.175 -7.307 7.613 1.00 0.00 C ATOM 902 O SER A 77 1.053 -7.775 7.403 1.00 0.00 O ATOM 903 CB SER A 77 3.513 -7.201 9.742 1.00 0.00 C ATOM 904 OG SER A 77 4.780 -7.234 9.101 1.00 0.00 O ATOM 0 H SER A 77 1.177 -6.858 10.497 1.00 0.00 H new ATOM 0 HA SER A 77 2.854 -5.519 8.574 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.602 -6.690 10.701 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.184 -8.219 9.953 1.00 0.00 H new ATOM 0 HG SER A 77 5.427 -7.691 9.678 1.00 0.00 H new ATOM 910 N ILE A 78 3.189 -7.471 6.767 1.00 0.00 N ATOM 911 CA ILE A 78 3.047 -8.248 5.536 1.00 0.00 C ATOM 912 C ILE A 78 3.820 -9.547 5.670 1.00 0.00 C ATOM 913 O ILE A 78 3.643 -10.483 4.892 1.00 0.00 O ATOM 914 CB ILE A 78 3.580 -7.513 4.278 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.117 -7.577 4.176 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.122 -6.068 4.269 1.00 0.00 C ATOM 917 CD1 ILE A 78 5.857 -6.812 5.256 1.00 0.00 C ATOM 0 H ILE A 78 4.119 -7.077 6.910 1.00 0.00 H new ATOM 0 HA ILE A 78 1.978 -8.416 5.402 1.00 0.00 H new ATOM 0 HB ILE A 78 3.167 -8.027 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.427 -8.621 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.419 -7.189 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.506 -5.570 3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.033 -6.032 4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.497 -5.562 5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.931 -6.914 5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.582 -5.758 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.590 -7.213 6.234 1.00 0.00 H new ATOM 929 N LYS A 79 4.667 -9.577 6.690 1.00 0.00 N ATOM 930 CA LYS A 79 5.656 -10.627 6.879 1.00 0.00 C ATOM 931 C LYS A 79 4.978 -11.977 7.118 1.00 0.00 C ATOM 932 O LYS A 79 5.578 -13.033 6.934 1.00 0.00 O ATOM 933 CB LYS A 79 6.556 -10.226 8.058 1.00 0.00 C ATOM 934 CG LYS A 79 7.973 -10.799 8.024 1.00 0.00 C ATOM 935 CD LYS A 79 8.025 -12.300 8.277 1.00 0.00 C ATOM 936 CE LYS A 79 7.627 -12.653 9.700 1.00 0.00 C ATOM 937 NZ LYS A 79 7.604 -14.124 9.921 1.00 0.00 N ATOM 0 H LYS A 79 4.686 -8.863 7.418 1.00 0.00 H new ATOM 0 HA LYS A 79 6.264 -10.740 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.622 -9.138 8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.076 -10.543 8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.420 -10.586 7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.581 -10.291 8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.360 -12.808 7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.033 -12.666 8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.326 -12.192 10.397 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.642 -12.238 9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.028 -14.343 10.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.621 -14.463 9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.147 -14.596 9.170 1.00 0.00 H new ATOM 951 N GLY A 80 3.714 -11.935 7.503 1.00 0.00 N ATOM 952 CA GLY A 80 2.978 -13.153 7.745 1.00 0.00 C ATOM 953 C GLY A 80 2.684 -13.920 6.470 1.00 0.00 C ATOM 954 O GLY A 80 2.427 -15.123 6.515 1.00 0.00 O ATOM 0 H GLY A 80 3.184 -11.076 7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.547 -13.788 8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.040 -12.913 8.245 1.00 0.00 H new ATOM 958 N LYS A 81 2.725 -13.241 5.327 1.00 0.00 N ATOM 959 CA LYS A 81 2.431 -13.894 4.060 1.00 0.00 C ATOM 960 C LYS A 81 3.340 -13.361 2.956 1.00 0.00 C ATOM 961 O LYS A 81 4.484 -13.002 3.210 1.00 0.00 O ATOM 962 CB LYS A 81 0.946 -13.740 3.687 1.00 0.00 C ATOM 963 CG LYS A 81 0.491 -12.314 3.401 1.00 0.00 C ATOM 964 CD LYS A 81 0.422 -11.451 4.649 1.00 0.00 C ATOM 965 CE LYS A 81 -0.853 -11.681 5.454 1.00 0.00 C ATOM 966 NZ LYS A 81 -0.871 -12.996 6.157 1.00 0.00 N ATOM 0 H LYS A 81 2.956 -12.250 5.254 1.00 0.00 H new ATOM 0 HA LYS A 81 2.630 -14.960 4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.744 -14.352 2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.341 -14.141 4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.176 -11.856 2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.491 -12.340 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.287 -11.660 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.482 -10.401 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.962 -10.882 6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.713 -11.620 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.404 -12.907 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.326 -13.708 5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.104 -13.291 6.366 1.00 0.00 H new ATOM 980 N THR A 82 2.821 -13.280 1.741 1.00 0.00 N ATOM 981 CA THR A 82 3.648 -13.011 0.582 1.00 0.00 C ATOM 982 C THR A 82 2.931 -12.072 -0.381 1.00 0.00 C ATOM 983 O THR A 82 1.759 -11.759 -0.191 1.00 0.00 O ATOM 984 CB THR A 82 4.030 -14.329 -0.135 1.00 0.00 C ATOM 985 OG1 THR A 82 5.024 -14.094 -1.144 1.00 0.00 O ATOM 986 CG2 THR A 82 2.809 -14.981 -0.765 1.00 0.00 C ATOM 0 H THR A 82 1.829 -13.397 1.535 1.00 0.00 H new ATOM 0 HA THR A 82 4.563 -12.526 0.922 1.00 0.00 H new ATOM 0 HB THR A 82 4.441 -15.003 0.617 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.471 -14.938 -1.366 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.105 -15.905 -1.262 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.076 -15.205 0.010 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.369 -14.301 -1.495 1.00 0.00 H new ATOM 994 N LYS A 83 3.655 -11.655 -1.406 1.00 0.00 N ATOM 995 CA LYS A 83 3.204 -10.673 -2.399 1.00 0.00 C ATOM 996 C LYS A 83 1.744 -10.858 -2.836 1.00 0.00 C ATOM 997 O LYS A 83 0.920 -9.965 -2.650 1.00 0.00 O ATOM 998 CB LYS A 83 4.120 -10.765 -3.619 1.00 0.00 C ATOM 999 CG LYS A 83 4.934 -12.034 -3.621 1.00 0.00 C ATOM 1000 CD LYS A 83 5.471 -12.368 -4.990 1.00 0.00 C ATOM 1001 CE LYS A 83 6.166 -13.704 -4.934 1.00 0.00 C ATOM 1002 NZ LYS A 83 6.467 -14.246 -6.277 1.00 0.00 N ATOM 0 H LYS A 83 4.600 -11.995 -1.582 1.00 0.00 H new ATOM 0 HA LYS A 83 3.255 -9.691 -1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.519 -10.718 -4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.790 -9.905 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.765 -11.931 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.317 -12.859 -3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.658 -12.397 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.166 -11.596 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.094 -13.603 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.540 -14.413 -4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.898 -15.188 -6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.587 -14.322 -6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.128 -13.610 -6.768 1.00 0.00 H new ATOM 1016 N VAL A 84 1.424 -12.003 -3.422 1.00 0.00 N ATOM 1017 CA VAL A 84 0.092 -12.251 -3.924 1.00 0.00 C ATOM 1018 C VAL A 84 -0.959 -12.104 -2.822 1.00 0.00 C ATOM 1019 O VAL A 84 -2.055 -11.590 -3.055 1.00 0.00 O ATOM 1020 CB VAL A 84 0.023 -13.653 -4.562 1.00 0.00 C ATOM 1021 CG1 VAL A 84 0.577 -14.709 -3.621 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -1.390 -13.990 -4.952 1.00 0.00 C ATOM 0 H VAL A 84 2.077 -12.775 -3.559 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.130 -11.504 -4.686 1.00 0.00 H new ATOM 0 HB VAL A 84 0.639 -13.641 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.516 -15.688 -4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.618 -14.481 -3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.005 -14.716 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.417 -14.983 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.025 -13.974 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.753 -13.257 -5.672 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.602 -12.519 -1.618 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.515 -12.476 -0.495 1.00 0.00 C ATOM 1034 C GLU A 85 -1.595 -11.084 0.124 1.00 0.00 C ATOM 1035 O GLU A 85 -2.643 -10.690 0.610 1.00 0.00 O ATOM 1036 CB GLU A 85 -1.092 -13.496 0.553 1.00 0.00 C ATOM 1037 CG GLU A 85 -1.032 -14.914 0.019 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.906 -15.949 1.116 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -1.851 -16.087 1.921 1.00 0.00 O ATOM 1040 OE2 GLU A 85 0.138 -16.628 1.182 1.00 0.00 O ATOM 0 H GLU A 85 0.321 -12.892 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.510 -12.723 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.112 -13.220 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.791 -13.459 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.931 -15.116 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.184 -15.006 -0.660 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.494 -10.340 0.108 1.00 0.00 N ATOM 1048 CA VAL A 86 -0.478 -9.003 0.702 1.00 0.00 C ATOM 1049 C VAL A 86 -1.310 -8.016 -0.119 1.00 0.00 C ATOM 1050 O VAL A 86 -2.098 -7.251 0.436 1.00 0.00 O ATOM 1051 CB VAL A 86 0.955 -8.451 0.902 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.743 -9.327 1.851 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.712 -8.326 -0.397 1.00 0.00 C ATOM 0 H VAL A 86 0.391 -10.634 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.928 -9.110 1.689 1.00 0.00 H new ATOM 0 HB VAL A 86 0.841 -7.454 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.746 -8.919 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.242 -9.358 2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.810 -10.336 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.710 -7.935 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.793 -9.306 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.181 -7.647 -1.064 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.136 -8.039 -1.438 1.00 0.00 N ATOM 1064 CA ALA A 87 -1.984 -7.251 -2.333 1.00 0.00 C ATOM 1065 C ALA A 87 -3.432 -7.695 -2.190 1.00 0.00 C ATOM 1066 O ALA A 87 -4.353 -6.875 -2.219 1.00 0.00 O ATOM 1067 CB ALA A 87 -1.530 -7.386 -3.775 1.00 0.00 C ATOM 0 H ALA A 87 -0.420 -8.591 -1.910 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.900 -6.201 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.178 -6.790 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.503 -7.033 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.583 -8.432 -4.077 1.00 0.00 H new ATOM 1073 N LYS A 88 -3.623 -9.003 -2.016 1.00 0.00 N ATOM 1074 CA LYS A 88 -4.945 -9.553 -1.772 1.00 0.00 C ATOM 1075 C LYS A 88 -5.524 -8.980 -0.490 1.00 0.00 C ATOM 1076 O LYS A 88 -6.621 -8.461 -0.493 1.00 0.00 O ATOM 1077 CB LYS A 88 -4.902 -11.071 -1.677 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.262 -11.683 -1.438 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.237 -13.175 -1.686 1.00 0.00 C ATOM 1080 CE LYS A 88 -7.630 -13.787 -1.626 1.00 0.00 C ATOM 1081 NZ LYS A 88 -8.228 -13.708 -0.265 1.00 0.00 N ATOM 0 H LYS A 88 -2.875 -9.696 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.580 -9.277 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.484 -11.476 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.231 -11.361 -0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.578 -11.486 -0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.996 -11.214 -2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.796 -13.373 -2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.598 -13.655 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.280 -13.274 -2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.579 -14.830 -1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.188 -14.107 -0.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.642 -14.248 0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.272 -12.714 0.038 1.00 0.00 H new ATOM 1095 N MET A 89 -4.760 -9.069 0.593 1.00 0.00 N ATOM 1096 CA MET A 89 -5.155 -8.533 1.891 1.00 0.00 C ATOM 1097 C MET A 89 -5.625 -7.094 1.784 1.00 0.00 C ATOM 1098 O MET A 89 -6.601 -6.692 2.419 1.00 0.00 O ATOM 1099 CB MET A 89 -3.990 -8.631 2.841 1.00 0.00 C ATOM 1100 CG MET A 89 -3.782 -10.042 3.323 1.00 0.00 C ATOM 1101 SD MET A 89 -5.148 -10.650 4.329 1.00 0.00 S ATOM 1102 CE MET A 89 -4.600 -12.322 4.660 1.00 0.00 C ATOM 0 H MET A 89 -3.844 -9.518 0.595 1.00 0.00 H new ATOM 0 HA MET A 89 -5.992 -9.121 2.267 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.085 -8.279 2.345 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.161 -7.976 3.695 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.651 -10.698 2.463 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.861 -10.090 3.904 1.00 0.00 H new ATOM 0 HE1 MET A 89 -5.448 -12.925 4.986 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.176 -12.752 3.753 1.00 0.00 H new ATOM 0 HE3 MET A 89 -3.842 -12.308 5.443 1.00 0.00 H new ATOM 1112 N ILE A 90 -4.926 -6.327 0.967 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.277 -4.945 0.734 1.00 0.00 C ATOM 1114 C ILE A 90 -6.622 -4.832 0.024 1.00 0.00 C ATOM 1115 O ILE A 90 -7.521 -4.162 0.520 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.152 -4.221 -0.047 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.007 -3.933 0.929 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.649 -2.939 -0.723 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -1.745 -3.420 0.283 1.00 0.00 C ATOM 0 H ILE A 90 -4.105 -6.645 0.451 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.381 -4.449 1.699 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.802 -4.864 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.347 -3.202 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.774 -4.847 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.825 -2.467 -1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.445 -3.184 -1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.031 -2.253 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.990 -3.244 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.375 -4.158 -0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.957 -2.487 -0.239 1.00 0.00 H new ATOM 1131 N GLN A 91 -6.788 -5.519 -1.099 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.002 -5.385 -1.889 1.00 0.00 C ATOM 1133 C GLN A 91 -9.158 -6.218 -1.319 1.00 0.00 C ATOM 1134 O GLN A 91 -10.324 -5.968 -1.628 1.00 0.00 O ATOM 1135 CB GLN A 91 -7.718 -5.781 -3.332 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.458 -7.259 -3.517 1.00 0.00 C ATOM 1137 CD GLN A 91 -6.994 -7.610 -4.915 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -6.260 -8.577 -5.109 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -7.416 -6.831 -5.901 1.00 0.00 N ATOM 0 H GLN A 91 -6.102 -6.170 -1.480 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.314 -4.341 -1.851 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.565 -5.490 -3.953 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -6.854 -5.222 -3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.704 -7.582 -2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.370 -7.813 -3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.025 -6.038 -5.699 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -7.132 -7.025 -6.861 1.00 0.00 H new ATOM 1148 N GLU A 92 -8.828 -7.194 -0.481 1.00 0.00 N ATOM 1149 CA GLU A 92 -9.811 -8.085 0.126 1.00 0.00 C ATOM 1150 C GLU A 92 -10.778 -7.314 1.004 1.00 0.00 C ATOM 1151 O GLU A 92 -11.996 -7.426 0.858 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.101 -9.147 0.960 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.041 -10.040 1.742 1.00 0.00 C ATOM 1154 CD GLU A 92 -9.316 -11.155 2.458 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -8.862 -12.105 1.786 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -9.205 -11.096 3.700 1.00 0.00 O ATOM 0 H GLU A 92 -7.867 -7.391 -0.202 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.377 -8.562 -0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.492 -9.765 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.420 -8.655 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.587 -9.439 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.779 -10.468 1.064 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.222 -6.542 1.922 1.00 0.00 N ATOM 1164 CA VAL A 93 -11.021 -5.712 2.816 1.00 0.00 C ATOM 1165 C VAL A 93 -11.927 -4.772 2.025 1.00 0.00 C ATOM 1166 O VAL A 93 -13.004 -4.419 2.495 1.00 0.00 O ATOM 1167 CB VAL A 93 -10.137 -4.885 3.783 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -9.164 -5.791 4.519 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -9.386 -3.779 3.050 1.00 0.00 C ATOM 0 H VAL A 93 -9.215 -6.471 2.070 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.635 -6.390 3.409 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.796 -4.411 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.551 -5.194 5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.720 -6.532 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.522 -6.298 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.777 -3.220 3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.743 -4.219 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.101 -3.106 2.577 1.00 0.00 H new ATOM 1179 N LYS A 94 -11.481 -4.424 0.805 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.152 -3.474 -0.106 1.00 0.00 C ATOM 1181 C LYS A 94 -12.549 -2.154 0.572 1.00 0.00 C ATOM 1182 O LYS A 94 -12.606 -2.037 1.792 1.00 0.00 O ATOM 1183 CB LYS A 94 -13.360 -4.112 -0.825 1.00 0.00 C ATOM 1184 CG LYS A 94 -14.523 -4.503 0.072 1.00 0.00 C ATOM 1185 CD LYS A 94 -15.664 -5.105 -0.729 1.00 0.00 C ATOM 1186 CE LYS A 94 -16.782 -5.594 0.175 1.00 0.00 C ATOM 1187 NZ LYS A 94 -16.352 -6.728 1.034 1.00 0.00 N ATOM 0 H LYS A 94 -10.620 -4.805 0.413 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.405 -3.223 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.724 -3.413 -1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -13.017 -5.001 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.183 -5.220 0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.879 -3.625 0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.055 -4.361 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.291 -5.935 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -17.124 -4.772 0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -17.631 -5.903 -0.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -17.189 -7.192 1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.820 -7.414 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.746 -6.372 1.801 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.723 -1.126 -0.237 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.265 0.124 0.257 1.00 0.00 C ATOM 1203 C GLY A 95 -12.208 1.046 0.828 1.00 0.00 C ATOM 1204 O GLY A 95 -12.114 2.208 0.432 1.00 0.00 O ATOM 0 H GLY A 95 -12.499 -1.132 -1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.783 0.634 -0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.008 -0.088 1.026 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.382 0.526 1.723 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.422 1.339 2.430 1.00 0.00 C ATOM 1210 C GLU A 96 -9.064 0.670 2.409 1.00 0.00 C ATOM 1211 O GLU A 96 -8.913 -0.443 1.906 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.850 1.544 3.879 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.727 0.278 4.695 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.931 0.497 6.176 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -12.096 0.526 6.625 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -9.924 0.633 6.899 1.00 0.00 O ATOM 0 H GLU A 96 -11.363 -0.463 1.973 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.368 2.308 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.238 2.326 4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.883 1.892 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.458 -0.448 4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.741 -0.156 4.532 1.00 0.00 H new ATOM 1223 N VAL A 97 -8.095 1.351 2.976 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.730 0.844 3.091 1.00 0.00 C ATOM 1225 C VAL A 97 -6.064 1.438 4.327 1.00 0.00 C ATOM 1226 O VAL A 97 -6.436 2.519 4.785 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.843 1.185 1.859 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.503 0.792 0.551 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.489 2.657 1.839 1.00 0.00 C ATOM 0 H VAL A 97 -8.224 2.280 3.376 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.812 -0.241 3.159 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.929 0.600 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.846 1.050 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.690 -0.282 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.448 1.325 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.869 2.870 0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.402 3.250 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.941 2.912 2.746 1.00 0.00 H new ATOM 1239 N THR A 98 -5.098 0.728 4.875 1.00 0.00 N ATOM 1240 CA THR A 98 -4.283 1.255 5.952 1.00 0.00 C ATOM 1241 C THR A 98 -2.836 0.814 5.756 1.00 0.00 C ATOM 1242 O THR A 98 -2.470 -0.322 6.065 1.00 0.00 O ATOM 1243 CB THR A 98 -4.806 0.798 7.328 1.00 0.00 C ATOM 1244 OG1 THR A 98 -6.201 1.114 7.442 1.00 0.00 O ATOM 1245 CG2 THR A 98 -4.041 1.478 8.450 1.00 0.00 C ATOM 0 H THR A 98 -4.857 -0.221 4.590 1.00 0.00 H new ATOM 0 HA THR A 98 -4.337 2.343 5.928 1.00 0.00 H new ATOM 0 HB THR A 98 -4.662 -0.279 7.411 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.532 0.821 8.317 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.428 1.140 9.411 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.984 1.225 8.375 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.162 2.558 8.370 1.00 0.00 H new ATOM 1253 N ILE A 99 -2.024 1.714 5.225 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.660 1.385 4.838 1.00 0.00 C ATOM 1255 C ILE A 99 0.318 1.626 5.971 1.00 0.00 C ATOM 1256 O ILE A 99 0.223 2.620 6.691 1.00 0.00 O ATOM 1257 CB ILE A 99 -0.166 2.186 3.603 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.852 3.556 3.492 1.00 0.00 C ATOM 1259 CG2 ILE A 99 -0.349 1.390 2.322 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -2.229 3.521 2.866 1.00 0.00 C ATOM 0 H ILE A 99 -2.287 2.684 5.051 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.691 0.326 4.582 1.00 0.00 H new ATOM 0 HB ILE A 99 0.900 2.364 3.748 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.931 3.990 4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -0.217 4.219 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.006 1.977 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.221 0.463 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.405 1.158 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.637 4.531 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.159 3.120 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.884 2.887 3.463 1.00 0.00 H new ATOM 1272 N HIS A 100 1.243 0.698 6.132 1.00 0.00 N ATOM 1273 CA HIS A 100 2.360 0.866 7.043 1.00 0.00 C ATOM 1274 C HIS A 100 3.648 0.872 6.237 1.00 0.00 C ATOM 1275 O HIS A 100 3.967 -0.112 5.570 1.00 0.00 O ATOM 1276 CB HIS A 100 2.396 -0.259 8.082 1.00 0.00 C ATOM 1277 CG HIS A 100 1.470 -0.051 9.243 1.00 0.00 C ATOM 1278 ND1 HIS A 100 1.745 -0.510 10.510 1.00 0.00 N ATOM 1279 CD2 HIS A 100 0.267 0.566 9.324 1.00 0.00 C ATOM 1280 CE1 HIS A 100 0.757 -0.185 11.321 1.00 0.00 C ATOM 1281 NE2 HIS A 100 -0.155 0.470 10.626 1.00 0.00 N ATOM 0 H HIS A 100 1.241 -0.193 5.635 1.00 0.00 H new ATOM 0 HA HIS A 100 2.247 1.809 7.578 1.00 0.00 H new ATOM 0 HB2 HIS A 100 2.142 -1.199 7.592 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.414 -0.360 8.457 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.262 1.045 8.514 1.00 0.00 H new ATOM 0 HE1 HIS A 100 0.703 -0.415 12.375 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -1.029 0.843 10.996 1.00 0.00 H new ATOM 1290 N TYR A 101 4.375 1.975 6.275 1.00 0.00 N ATOM 1291 CA TYR A 101 5.574 2.098 5.464 1.00 0.00 C ATOM 1292 C TYR A 101 6.794 2.461 6.303 1.00 0.00 C ATOM 1293 O TYR A 101 6.681 3.038 7.388 1.00 0.00 O ATOM 1294 CB TYR A 101 5.368 3.108 4.324 1.00 0.00 C ATOM 1295 CG TYR A 101 4.968 4.503 4.755 1.00 0.00 C ATOM 1296 CD1 TYR A 101 5.926 5.461 5.060 1.00 0.00 C ATOM 1297 CD2 TYR A 101 3.629 4.867 4.831 1.00 0.00 C ATOM 1298 CE1 TYR A 101 5.562 6.741 5.430 1.00 0.00 C ATOM 1299 CE2 TYR A 101 3.258 6.144 5.203 1.00 0.00 C ATOM 1300 CZ TYR A 101 4.228 7.076 5.501 1.00 0.00 C ATOM 1301 OH TYR A 101 3.863 8.352 5.864 1.00 0.00 O ATOM 0 H TYR A 101 4.160 2.789 6.851 1.00 0.00 H new ATOM 0 HA TYR A 101 5.766 1.120 5.022 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.292 3.175 3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.602 2.720 3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.973 5.201 5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 101 2.866 4.139 4.595 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.319 7.475 5.662 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.213 6.411 5.260 1.00 0.00 H new ATOM 0 HH TYR A 101 2.886 8.425 5.865 1.00 0.00 H new ATOM 1311 N ASN A 102 7.953 2.094 5.782 1.00 0.00 N ATOM 1312 CA ASN A 102 9.229 2.320 6.413 1.00 0.00 C ATOM 1313 C ASN A 102 10.236 2.728 5.344 1.00 0.00 C ATOM 1314 O ASN A 102 9.895 2.777 4.165 1.00 0.00 O ATOM 1315 CB ASN A 102 9.706 1.049 7.125 1.00 0.00 C ATOM 1316 CG ASN A 102 9.752 -0.177 6.219 1.00 0.00 C ATOM 1317 OD1 ASN A 102 8.947 -0.330 5.307 1.00 0.00 O ATOM 1318 ND2 ASN A 102 10.703 -1.063 6.469 1.00 0.00 N ATOM 0 H ASN A 102 8.027 1.618 4.883 1.00 0.00 H new ATOM 0 HA ASN A 102 9.134 3.111 7.156 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.700 1.224 7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.044 0.844 7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.781 -1.903 5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 102 11.357 -0.906 7.236 1.00 0.00 H new ATOM 1325 N LYS A 103 11.462 3.043 5.744 1.00 0.00 N ATOM 1326 CA LYS A 103 12.476 3.464 4.790 1.00 0.00 C ATOM 1327 C LYS A 103 13.811 2.744 4.984 1.00 0.00 C ATOM 1328 O LYS A 103 14.732 3.280 5.607 1.00 0.00 O ATOM 1329 CB LYS A 103 12.658 4.969 4.905 1.00 0.00 C ATOM 1330 CG LYS A 103 11.411 5.729 4.507 1.00 0.00 C ATOM 1331 CD LYS A 103 10.871 6.565 5.649 1.00 0.00 C ATOM 1332 CE LYS A 103 9.517 7.159 5.304 1.00 0.00 C ATOM 1333 NZ LYS A 103 9.175 8.308 6.181 1.00 0.00 N ATOM 0 H LYS A 103 11.775 3.015 6.714 1.00 0.00 H new ATOM 0 HA LYS A 103 12.132 3.197 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.924 5.223 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 103 13.489 5.282 4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.635 6.375 3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.646 5.025 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.783 5.949 6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 103 11.574 7.365 5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.518 7.484 4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.749 6.391 5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.243 8.684 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.149 7.993 7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.893 9.052 6.074 1.00 0.00 H new ATOM 1347 N LEU A 104 13.892 1.522 4.461 1.00 0.00 N ATOM 1348 CA LEU A 104 15.140 0.762 4.380 1.00 0.00 C ATOM 1349 C LEU A 104 14.915 -0.556 3.659 1.00 0.00 C ATOM 1350 O LEU A 104 13.795 -1.054 3.594 1.00 0.00 O ATOM 1351 CB LEU A 104 15.765 0.499 5.762 1.00 0.00 C ATOM 1352 CG LEU A 104 14.814 0.160 6.911 1.00 0.00 C ATOM 1353 CD1 LEU A 104 14.120 -1.173 6.693 1.00 0.00 C ATOM 1354 CD2 LEU A 104 15.582 0.138 8.222 1.00 0.00 C ATOM 0 H LEU A 104 13.087 1.026 4.078 1.00 0.00 H new ATOM 0 HA LEU A 104 15.842 1.375 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 104 16.476 -0.321 5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 104 16.336 1.382 6.047 1.00 0.00 H new ATOM 0 HG LEU A 104 14.044 0.931 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.453 -1.377 7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.542 -1.135 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.866 -1.964 6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.901 -0.104 9.038 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.369 -0.615 8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.028 1.117 8.399 1.00 0.00 H new ATOM 1366 N GLN A 105 15.986 -1.117 3.121 1.00 0.00 N ATOM 1367 CA GLN A 105 15.915 -2.412 2.464 1.00 0.00 C ATOM 1368 C GLN A 105 16.348 -3.500 3.435 1.00 0.00 C ATOM 1369 O GLN A 105 16.657 -4.627 3.033 1.00 0.00 O ATOM 1370 CB GLN A 105 16.796 -2.437 1.211 1.00 0.00 C ATOM 1371 CG GLN A 105 18.277 -2.246 1.501 1.00 0.00 C ATOM 1372 CD GLN A 105 19.138 -2.364 0.260 1.00 0.00 C ATOM 1373 OE1 GLN A 105 18.793 -3.072 -0.685 1.00 0.00 O ATOM 1374 NE2 GLN A 105 20.270 -1.680 0.257 1.00 0.00 N ATOM 0 H GLN A 105 16.915 -0.696 3.126 1.00 0.00 H new ATOM 0 HA GLN A 105 14.885 -2.592 2.155 1.00 0.00 H new ATOM 0 HB2 GLN A 105 16.655 -3.388 0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 105 16.464 -1.654 0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 105 18.431 -1.266 1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 105 18.598 -2.988 2.232 1.00 0.00 H new ATOM 0 HE21 GLN A 105 20.520 -1.104 1.061 1.00 0.00 H new ATOM 0 HE22 GLN A 105 20.893 -1.728 -0.549 1.00 0.00 H new ATOM 1383 N ALA A 106 16.389 -3.124 4.715 1.00 0.00 N ATOM 1384 CA ALA A 106 16.752 -4.025 5.801 1.00 0.00 C ATOM 1385 C ALA A 106 18.226 -4.421 5.723 1.00 0.00 C ATOM 1386 O ALA A 106 18.959 -3.965 4.844 1.00 0.00 O ATOM 1387 CB ALA A 106 15.849 -5.248 5.799 1.00 0.00 C ATOM 0 H ALA A 106 16.169 -2.178 5.025 1.00 0.00 H new ATOM 0 HA ALA A 106 16.608 -3.498 6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 106 16.133 -5.911 6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 106 14.813 -4.935 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.953 -5.775 4.851 1.00 0.00 H new ATOM 1393 N ASP A 107 18.656 -5.256 6.659 1.00 0.00 N ATOM 1394 CA ASP A 107 20.043 -5.695 6.728 1.00 0.00 C ATOM 1395 C ASP A 107 20.027 -7.186 6.987 1.00 0.00 C ATOM 1396 O ASP A 107 19.152 -7.629 7.702 1.00 0.00 O ATOM 1397 CB ASP A 107 20.766 -4.942 7.856 1.00 0.00 C ATOM 1398 CG ASP A 107 22.212 -5.360 8.029 1.00 0.00 C ATOM 1399 OD1 ASP A 107 23.075 -4.870 7.273 1.00 0.00 O ATOM 1400 OD2 ASP A 107 22.496 -6.172 8.931 1.00 0.00 O ATOM 0 H ASP A 107 18.058 -5.646 7.387 1.00 0.00 H new ATOM 0 HA ASP A 107 20.576 -5.485 5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 107 20.727 -3.872 7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 107 20.233 -5.107 8.793 1.00 0.00 H new ATOM 1405 N PRO A 108 20.960 -7.974 6.414 1.00 0.00 N ATOM 1406 CA PRO A 108 20.944 -9.446 6.472 1.00 0.00 C ATOM 1407 C PRO A 108 20.285 -10.040 7.723 1.00 0.00 C ATOM 1408 O PRO A 108 19.400 -10.890 7.608 1.00 0.00 O ATOM 1409 CB PRO A 108 22.430 -9.759 6.440 1.00 0.00 C ATOM 1410 CG PRO A 108 22.984 -8.744 5.494 1.00 0.00 C ATOM 1411 CD PRO A 108 22.121 -7.508 5.631 1.00 0.00 C ATOM 0 HA PRO A 108 20.348 -9.878 5.668 1.00 0.00 H new ATOM 0 HB2 PRO A 108 22.879 -9.672 7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 108 22.618 -10.775 6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 108 24.024 -8.519 5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 108 22.966 -9.118 4.470 1.00 0.00 H new ATOM 0 HD2 PRO A 108 22.651 -6.704 6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 108 21.818 -7.122 4.658 1.00 0.00 H new ATOM 1419 N LYS A 109 20.693 -9.572 8.902 1.00 0.00 N ATOM 1420 CA LYS A 109 20.111 -10.029 10.169 1.00 0.00 C ATOM 1421 C LYS A 109 18.596 -9.793 10.233 1.00 0.00 C ATOM 1422 O LYS A 109 17.834 -10.684 10.583 1.00 0.00 O ATOM 1423 CB LYS A 109 20.778 -9.315 11.349 1.00 0.00 C ATOM 1424 CG LYS A 109 20.693 -7.794 11.282 1.00 0.00 C ATOM 1425 CD LYS A 109 21.184 -7.141 12.565 1.00 0.00 C ATOM 1426 CE LYS A 109 22.640 -7.458 12.847 1.00 0.00 C ATOM 1427 NZ LYS A 109 23.112 -6.796 14.090 1.00 0.00 N ATOM 0 H LYS A 109 21.428 -8.873 9.009 1.00 0.00 H new ATOM 0 HA LYS A 109 20.290 -11.103 10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 109 20.314 -9.654 12.275 1.00 0.00 H new ATOM 0 HB3 LYS A 109 21.827 -9.608 11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 109 21.286 -7.434 10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 109 19.661 -7.496 11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 109 21.056 -6.061 12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 109 20.572 -7.480 13.401 1.00 0.00 H new ATOM 0 HE2 LYS A 109 22.767 -8.537 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 109 23.253 -7.134 12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 24.111 -7.034 14.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 23.013 -5.765 13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 22.543 -7.124 14.896 1.00 0.00 H new ATOM 1441 N GLN A 110 18.178 -8.583 9.903 1.00 0.00 N ATOM 1442 CA GLN A 110 16.791 -8.176 9.997 1.00 0.00 C ATOM 1443 C GLN A 110 16.037 -8.450 8.712 1.00 0.00 C ATOM 1444 O GLN A 110 14.811 -8.422 8.662 1.00 0.00 O ATOM 1445 CB GLN A 110 16.735 -6.711 10.355 1.00 0.00 C ATOM 1446 CG GLN A 110 17.255 -5.790 9.303 1.00 0.00 C ATOM 1447 CD GLN A 110 17.259 -4.336 9.741 1.00 0.00 C ATOM 1448 OE1 GLN A 110 17.155 -3.425 8.919 1.00 0.00 O ATOM 1449 NE2 GLN A 110 17.370 -4.106 11.040 1.00 0.00 N ATOM 0 H GLN A 110 18.799 -7.851 9.559 1.00 0.00 H new ATOM 0 HA GLN A 110 16.304 -8.762 10.776 1.00 0.00 H new ATOM 0 HB2 GLN A 110 15.701 -6.444 10.573 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.305 -6.553 11.271 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.269 -6.087 9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.646 -5.892 8.405 1.00 0.00 H new ATOM 0 HE21 GLN A 110 17.454 -4.887 11.691 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.371 -3.148 11.390 1.00 0.00 H new ATOM 1458 N LEU A 111 16.794 -8.728 7.687 1.00 0.00 N ATOM 1459 CA LEU A 111 16.263 -9.001 6.371 1.00 0.00 C ATOM 1460 C LEU A 111 15.753 -10.436 6.316 1.00 0.00 C ATOM 1461 O LEU A 111 14.691 -10.701 5.763 1.00 0.00 O ATOM 1462 CB LEU A 111 17.372 -8.712 5.348 1.00 0.00 C ATOM 1463 CG LEU A 111 17.135 -9.110 3.875 1.00 0.00 C ATOM 1464 CD1 LEU A 111 17.307 -10.609 3.656 1.00 0.00 C ATOM 1465 CD2 LEU A 111 15.760 -8.653 3.408 1.00 0.00 C ATOM 0 H LEU A 111 17.812 -8.773 7.738 1.00 0.00 H new ATOM 0 HA LEU A 111 15.411 -8.363 6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 111 17.577 -7.642 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 111 18.276 -9.218 5.687 1.00 0.00 H new ATOM 0 HG LEU A 111 17.892 -8.604 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 111 17.131 -10.846 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 111 18.320 -10.903 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 111 16.592 -11.151 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 111 15.614 -8.944 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.992 -9.119 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 111 15.688 -7.569 3.495 1.00 0.00 H new ATOM 1477 N GLU A 112 16.501 -11.355 6.921 1.00 0.00 N ATOM 1478 CA GLU A 112 16.069 -12.747 7.010 1.00 0.00 C ATOM 1479 C GLU A 112 14.825 -12.845 7.889 1.00 0.00 C ATOM 1480 O GLU A 112 13.985 -13.726 7.709 1.00 0.00 O ATOM 1481 CB GLU A 112 17.181 -13.620 7.584 1.00 0.00 C ATOM 1482 CG GLU A 112 17.692 -13.114 8.915 1.00 0.00 C ATOM 1483 CD GLU A 112 18.554 -14.120 9.645 1.00 0.00 C ATOM 1484 OE1 GLU A 112 17.996 -14.975 10.365 1.00 0.00 O ATOM 1485 OE2 GLU A 112 19.793 -14.060 9.511 1.00 0.00 O ATOM 0 H GLU A 112 17.404 -11.163 7.355 1.00 0.00 H new ATOM 0 HA GLU A 112 15.833 -13.104 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 112 16.812 -14.639 7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 112 18.007 -13.662 6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 112 18.267 -12.202 8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.843 -12.848 9.545 1.00 0.00 H new ATOM 1492 N VAL A 113 14.724 -11.919 8.835 1.00 0.00 N ATOM 1493 CA VAL A 113 13.561 -11.809 9.702 1.00 0.00 C ATOM 1494 C VAL A 113 12.297 -11.583 8.877 1.00 0.00 C ATOM 1495 O VAL A 113 11.271 -12.227 9.098 1.00 0.00 O ATOM 1496 CB VAL A 113 13.744 -10.650 10.704 1.00 0.00 C ATOM 1497 CG1 VAL A 113 12.478 -10.396 11.497 1.00 0.00 C ATOM 1498 CG2 VAL A 113 14.902 -10.938 11.642 1.00 0.00 C ATOM 0 H VAL A 113 15.447 -11.224 9.021 1.00 0.00 H new ATOM 0 HA VAL A 113 13.459 -12.743 10.254 1.00 0.00 H new ATOM 0 HB VAL A 113 13.967 -9.750 10.131 1.00 0.00 H new ATOM 0 HG11 VAL A 113 12.643 -9.573 12.193 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.667 -10.138 10.816 1.00 0.00 H new ATOM 0 HG13 VAL A 113 12.211 -11.294 12.054 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.017 -10.111 12.342 1.00 0.00 H new ATOM 0 HG22 VAL A 113 14.703 -11.856 12.195 1.00 0.00 H new ATOM 0 HG23 VAL A 113 15.819 -11.054 11.064 1.00 0.00 H new ATOM 1508 N LEU A 114 12.390 -10.678 7.913 1.00 0.00 N ATOM 1509 CA LEU A 114 11.277 -10.390 7.021 1.00 0.00 C ATOM 1510 C LEU A 114 11.195 -11.432 5.917 1.00 0.00 C ATOM 1511 O LEU A 114 10.175 -11.567 5.247 1.00 0.00 O ATOM 1512 CB LEU A 114 11.412 -8.992 6.408 1.00 0.00 C ATOM 1513 CG LEU A 114 10.880 -7.832 7.260 1.00 0.00 C ATOM 1514 CD1 LEU A 114 11.708 -7.646 8.521 1.00 0.00 C ATOM 1515 CD2 LEU A 114 10.855 -6.547 6.447 1.00 0.00 C ATOM 0 H LEU A 114 13.229 -10.128 7.729 1.00 0.00 H new ATOM 0 HA LEU A 114 10.360 -10.423 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.466 -8.809 6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.890 -8.984 5.451 1.00 0.00 H new ATOM 0 HG LEU A 114 9.862 -8.078 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.305 -6.817 9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 114 11.673 -8.558 9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 114 12.741 -7.430 8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 114 10.475 -5.733 7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 114 11.865 -6.308 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 114 10.207 -6.677 5.580 1.00 0.00 H new ATOM 1527 N PHE A 115 12.280 -12.169 5.742 1.00 0.00 N ATOM 1528 CA PHE A 115 12.380 -13.160 4.680 1.00 0.00 C ATOM 1529 C PHE A 115 11.547 -14.391 5.012 1.00 0.00 C ATOM 1530 O PHE A 115 10.852 -14.934 4.149 1.00 0.00 O ATOM 1531 CB PHE A 115 13.837 -13.568 4.515 1.00 0.00 C ATOM 1532 CG PHE A 115 14.140 -14.351 3.270 1.00 0.00 C ATOM 1533 CD1 PHE A 115 14.406 -13.700 2.076 1.00 0.00 C ATOM 1534 CD2 PHE A 115 14.177 -15.736 3.295 1.00 0.00 C ATOM 1535 CE1 PHE A 115 14.698 -14.415 0.931 1.00 0.00 C ATOM 1536 CE2 PHE A 115 14.471 -16.457 2.153 1.00 0.00 C ATOM 1537 CZ PHE A 115 14.732 -15.795 0.970 1.00 0.00 C ATOM 0 H PHE A 115 13.112 -12.099 6.328 1.00 0.00 H new ATOM 0 HA PHE A 115 12.003 -12.724 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 115 14.453 -12.669 4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 115 14.133 -14.161 5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 115 14.385 -12.621 2.040 1.00 0.00 H new ATOM 0 HD2 PHE A 115 13.974 -16.258 4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 115 14.900 -13.895 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 115 14.496 -17.536 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 115 14.962 -16.356 0.076 1.00 0.00 H new ATOM 1547 N GLN A 116 11.622 -14.820 6.266 1.00 0.00 N ATOM 1548 CA GLN A 116 10.961 -16.042 6.707 1.00 0.00 C ATOM 1549 C GLN A 116 9.475 -15.826 6.939 1.00 0.00 C ATOM 1550 O GLN A 116 8.969 -15.975 8.055 1.00 0.00 O ATOM 1551 CB GLN A 116 11.599 -16.560 7.983 1.00 0.00 C ATOM 1552 CG GLN A 116 13.055 -16.956 7.820 1.00 0.00 C ATOM 1553 CD GLN A 116 13.672 -17.458 9.109 1.00 0.00 C ATOM 1554 OE1 GLN A 116 14.865 -17.287 9.343 1.00 0.00 O ATOM 1555 NE2 GLN A 116 12.868 -18.086 9.953 1.00 0.00 N ATOM 0 H GLN A 116 12.138 -14.335 7.000 1.00 0.00 H new ATOM 0 HA GLN A 116 11.081 -16.778 5.912 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.524 -15.793 8.753 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.034 -17.423 8.337 1.00 0.00 H new ATOM 0 HG2 GLN A 116 13.133 -17.732 7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 116 13.623 -16.098 7.460 1.00 0.00 H new ATOM 0 HE21 GLN A 116 11.882 -18.208 9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 116 13.235 -18.447 10.834 1.00 0.00 H new ATOM 1564 N GLY A 117 8.795 -15.441 5.889 1.00 0.00 N ATOM 1565 CA GLY A 117 7.352 -15.365 5.921 1.00 0.00 C ATOM 1566 C GLY A 117 6.795 -15.385 4.525 1.00 0.00 C ATOM 1567 O GLY A 117 5.991 -16.251 4.187 1.00 0.00 O ATOM 0 H GLY A 117 9.216 -15.174 4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 117 6.950 -16.202 6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 117 7.041 -14.453 6.431 1.00 0.00 H new ATOM 1571 N PRO A 118 7.163 -14.366 3.736 1.00 0.00 N ATOM 1572 CA PRO A 118 7.019 -14.322 2.276 1.00 0.00 C ATOM 1573 C PRO A 118 7.343 -15.630 1.526 1.00 0.00 C ATOM 1574 O PRO A 118 7.034 -16.734 1.967 1.00 0.00 O ATOM 1575 CB PRO A 118 8.071 -13.285 1.920 1.00 0.00 C ATOM 1576 CG PRO A 118 8.003 -12.293 3.013 1.00 0.00 C ATOM 1577 CD PRO A 118 7.649 -13.070 4.247 1.00 0.00 C ATOM 0 HA PRO A 118 5.986 -14.120 1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 118 9.062 -13.733 1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 118 7.863 -12.825 0.954 1.00 0.00 H new ATOM 0 HG2 PRO A 118 8.956 -11.779 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 118 7.254 -11.530 2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 118 8.514 -13.198 4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.883 -12.561 4.832 1.00 0.00 H new ATOM 1585 N GLN A 119 7.963 -15.467 0.358 1.00 0.00 N ATOM 1586 CA GLN A 119 8.359 -16.578 -0.502 1.00 0.00 C ATOM 1587 C GLN A 119 7.131 -17.244 -1.124 1.00 0.00 C ATOM 1588 O GLN A 119 6.366 -16.577 -1.831 1.00 0.00 O ATOM 1589 CB GLN A 119 9.233 -17.588 0.263 1.00 0.00 C ATOM 1590 CG GLN A 119 9.912 -18.622 -0.626 1.00 0.00 C ATOM 1591 CD GLN A 119 10.850 -19.532 0.144 1.00 0.00 C ATOM 1592 OE1 GLN A 119 11.841 -20.022 -0.397 1.00 0.00 O ATOM 1593 NE2 GLN A 119 10.553 -19.758 1.413 1.00 0.00 N ATOM 0 H GLN A 119 8.206 -14.551 -0.020 1.00 0.00 H new ATOM 0 HA GLN A 119 8.966 -16.182 -1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 119 9.997 -17.044 0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 119 8.614 -18.105 0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 119 9.151 -19.226 -1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.471 -18.110 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 119 9.722 -19.334 1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.155 -20.357 1.979 1.00 0.00 H new ATOM 1602 N PHE A 120 6.929 -18.536 -0.834 1.00 0.00 N ATOM 1603 CA PHE A 120 5.897 -19.354 -1.478 1.00 0.00 C ATOM 1604 C PHE A 120 6.244 -19.608 -2.944 1.00 0.00 C ATOM 1605 O PHE A 120 6.403 -20.753 -3.361 1.00 0.00 O ATOM 1606 CB PHE A 120 4.503 -18.729 -1.350 1.00 0.00 C ATOM 1607 CG PHE A 120 3.957 -18.758 0.049 1.00 0.00 C ATOM 1608 CD1 PHE A 120 4.270 -17.755 0.950 1.00 0.00 C ATOM 1609 CD2 PHE A 120 3.130 -19.790 0.462 1.00 0.00 C ATOM 1610 CE1 PHE A 120 3.770 -17.780 2.237 1.00 0.00 C ATOM 1611 CE2 PHE A 120 2.627 -19.820 1.749 1.00 0.00 C ATOM 1612 CZ PHE A 120 2.947 -18.812 2.637 1.00 0.00 C ATOM 0 H PHE A 120 7.480 -19.044 -0.142 1.00 0.00 H new ATOM 0 HA PHE A 120 5.871 -20.310 -0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.545 -17.695 -1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.815 -19.257 -2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.913 -16.943 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 120 2.876 -20.580 -0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.023 -16.992 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 120 1.985 -20.631 2.060 1.00 0.00 H new ATOM 0 HZ PHE A 120 2.554 -18.832 3.643 1.00 0.00 H new ATOM 1622 N THR A 121 6.367 -18.544 -3.717 1.00 0.00 N ATOM 1623 CA THR A 121 6.752 -18.647 -5.114 1.00 0.00 C ATOM 1624 C THR A 121 7.795 -17.583 -5.449 1.00 0.00 C ATOM 1625 O THR A 121 7.644 -16.419 -5.075 1.00 0.00 O ATOM 1626 CB THR A 121 5.533 -18.486 -6.048 1.00 0.00 C ATOM 1627 OG1 THR A 121 4.844 -17.259 -5.758 1.00 0.00 O ATOM 1628 CG2 THR A 121 4.568 -19.655 -5.910 1.00 0.00 C ATOM 0 H THR A 121 6.204 -17.589 -3.397 1.00 0.00 H new ATOM 0 HA THR A 121 7.175 -19.639 -5.270 1.00 0.00 H new ATOM 0 HB THR A 121 5.903 -18.465 -7.073 1.00 0.00 H new ATOM 0 HG1 THR A 121 4.074 -17.167 -6.357 1.00 0.00 H new ATOM 0 HG21 THR A 121 3.722 -19.509 -6.581 1.00 0.00 H new ATOM 0 HG22 THR A 121 5.080 -20.582 -6.168 1.00 0.00 H new ATOM 0 HG23 THR A 121 4.210 -19.712 -4.882 1.00 0.00 H new ATOM 1636 N LEU A 122 8.859 -17.976 -6.139 1.00 0.00 N ATOM 1637 CA LEU A 122 9.898 -17.026 -6.519 1.00 0.00 C ATOM 1638 C LEU A 122 9.534 -16.321 -7.823 1.00 0.00 C ATOM 1639 O LEU A 122 8.594 -16.734 -8.507 1.00 0.00 O ATOM 1640 CB LEU A 122 11.270 -17.719 -6.611 1.00 0.00 C ATOM 1641 CG LEU A 122 11.332 -19.017 -7.424 1.00 0.00 C ATOM 1642 CD1 LEU A 122 11.332 -18.739 -8.920 1.00 0.00 C ATOM 1643 CD2 LEU A 122 12.561 -19.817 -7.031 1.00 0.00 C ATOM 0 H LEU A 122 9.025 -18.935 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 122 9.969 -16.265 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.980 -17.013 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.611 -17.935 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 122 10.439 -19.600 -7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.377 -19.682 -9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.421 -18.206 -9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 122 12.199 -18.130 -9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 122 12.597 -20.738 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.457 -19.228 -7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 122 12.512 -20.061 -5.970 1.00 0.00 H new ATOM 1655 N ARG A 123 10.283 -15.263 -8.152 1.00 0.00 N ATOM 1656 CA ARG A 123 9.987 -14.401 -9.306 1.00 0.00 C ATOM 1657 C ARG A 123 8.719 -13.596 -9.013 1.00 0.00 C ATOM 1658 O ARG A 123 8.326 -13.499 -7.857 1.00 0.00 O ATOM 1659 CB ARG A 123 9.821 -15.227 -10.592 1.00 0.00 C ATOM 1660 CG ARG A 123 10.302 -14.520 -11.853 1.00 0.00 C ATOM 1661 CD ARG A 123 11.820 -14.469 -11.914 1.00 0.00 C ATOM 1662 NE ARG A 123 12.404 -15.808 -11.960 1.00 0.00 N ATOM 1663 CZ ARG A 123 13.703 -16.068 -11.812 1.00 0.00 C ATOM 1664 NH1 ARG A 123 14.566 -15.079 -11.606 1.00 0.00 N ATOM 1665 NH2 ARG A 123 14.136 -17.321 -11.873 1.00 0.00 N ATOM 0 H ARG A 123 11.111 -14.979 -7.628 1.00 0.00 H new ATOM 0 HA ARG A 123 10.824 -13.721 -9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.368 -16.163 -10.483 1.00 0.00 H new ATOM 0 HB3 ARG A 123 8.769 -15.485 -10.712 1.00 0.00 H new ATOM 0 HG2 ARG A 123 9.918 -15.038 -12.732 1.00 0.00 H new ATOM 0 HG3 ARG A 123 9.901 -13.507 -11.880 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.130 -13.906 -12.794 1.00 0.00 H new ATOM 0 HD3 ARG A 123 12.202 -13.935 -11.044 1.00 0.00 H new ATOM 0 HE ARG A 123 11.776 -16.596 -12.116 1.00 0.00 H new ATOM 0 HH11 ARG A 123 14.236 -14.115 -11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 123 15.559 -15.284 -11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 123 13.475 -18.082 -12.033 1.00 0.00 H new ATOM 0 HH22 ARG A 123 15.129 -17.523 -11.760 1.00 0.00 H new ATOM 1679 N HIS A 124 8.101 -13.010 -10.047 1.00 0.00 N ATOM 1680 CA HIS A 124 6.843 -12.255 -9.905 1.00 0.00 C ATOM 1681 C HIS A 124 7.004 -11.003 -9.045 1.00 0.00 C ATOM 1682 O HIS A 124 7.448 -11.062 -7.896 1.00 0.00 O ATOM 1683 CB HIS A 124 5.721 -13.126 -9.329 1.00 0.00 C ATOM 1684 CG HIS A 124 5.106 -14.078 -10.311 1.00 0.00 C ATOM 1685 ND1 HIS A 124 3.744 -14.204 -10.478 1.00 0.00 N ATOM 1686 CD2 HIS A 124 5.668 -14.975 -11.153 1.00 0.00 C ATOM 1687 CE1 HIS A 124 3.497 -15.135 -11.379 1.00 0.00 C ATOM 1688 NE2 HIS A 124 4.647 -15.620 -11.805 1.00 0.00 N ATOM 0 H HIS A 124 8.455 -13.044 -11.003 1.00 0.00 H new ATOM 0 HA HIS A 124 6.571 -11.943 -10.913 1.00 0.00 H new ATOM 0 HB2 HIS A 124 6.116 -13.696 -8.488 1.00 0.00 H new ATOM 0 HB3 HIS A 124 4.940 -12.476 -8.934 1.00 0.00 H new ATOM 0 HD2 HIS A 124 6.725 -15.151 -11.287 1.00 0.00 H new ATOM 0 HE1 HIS A 124 2.518 -15.447 -11.712 1.00 0.00 H new ATOM 0 HE2 HIS A 124 4.759 -16.354 -12.504 1.00 0.00 H new ATOM 1697 N TRP A 125 6.620 -9.869 -9.607 1.00 0.00 N ATOM 1698 CA TRP A 125 6.654 -8.605 -8.887 1.00 0.00 C ATOM 1699 C TRP A 125 5.329 -8.378 -8.165 1.00 0.00 C ATOM 1700 O TRP A 125 4.368 -9.125 -8.360 1.00 0.00 O ATOM 1701 CB TRP A 125 6.949 -7.447 -9.846 1.00 0.00 C ATOM 1702 CG TRP A 125 5.960 -7.321 -10.965 1.00 0.00 C ATOM 1703 CD1 TRP A 125 4.859 -6.513 -11.001 1.00 0.00 C ATOM 1704 CD2 TRP A 125 5.983 -8.026 -12.212 1.00 0.00 C ATOM 1705 NE1 TRP A 125 4.199 -6.674 -12.193 1.00 0.00 N ATOM 1706 CE2 TRP A 125 4.868 -7.595 -12.953 1.00 0.00 C ATOM 1707 CE3 TRP A 125 6.839 -8.978 -12.775 1.00 0.00 C ATOM 1708 CZ2 TRP A 125 4.587 -8.085 -14.225 1.00 0.00 C ATOM 1709 CZ3 TRP A 125 6.558 -9.463 -14.037 1.00 0.00 C ATOM 1710 CH2 TRP A 125 5.440 -9.015 -14.750 1.00 0.00 C ATOM 0 H TRP A 125 6.279 -9.797 -10.566 1.00 0.00 H new ATOM 0 HA TRP A 125 7.453 -8.646 -8.147 1.00 0.00 H new ATOM 0 HB2 TRP A 125 6.965 -6.515 -9.281 1.00 0.00 H new ATOM 0 HB3 TRP A 125 7.945 -7.581 -10.267 1.00 0.00 H new ATOM 0 HD1 TRP A 125 4.553 -5.846 -10.208 1.00 0.00 H new ATOM 0 HE1 TRP A 125 3.347 -6.186 -12.469 1.00 0.00 H new ATOM 0 HE3 TRP A 125 7.705 -9.328 -12.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 3.725 -7.742 -14.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.211 -10.200 -14.481 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.247 -9.412 -15.736 1.00 0.00 H new ATOM 1721 N LEU A 126 5.283 -7.347 -7.344 1.00 0.00 N ATOM 1722 CA LEU A 126 4.122 -7.067 -6.521 1.00 0.00 C ATOM 1723 C LEU A 126 3.603 -5.655 -6.773 1.00 0.00 C ATOM 1724 O LEU A 126 4.362 -4.761 -7.125 1.00 0.00 O ATOM 1725 CB LEU A 126 4.518 -7.240 -5.053 1.00 0.00 C ATOM 1726 CG LEU A 126 3.519 -6.736 -4.013 1.00 0.00 C ATOM 1727 CD1 LEU A 126 2.202 -7.482 -4.131 1.00 0.00 C ATOM 1728 CD2 LEU A 126 4.089 -6.897 -2.615 1.00 0.00 C ATOM 0 H LEU A 126 6.047 -6.681 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 126 3.319 -7.759 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.695 -8.300 -4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.466 -6.726 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 126 3.334 -5.678 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.504 -7.109 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.784 -7.327 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.371 -8.547 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.367 -6.534 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.298 -7.950 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.012 -6.323 -2.530 1.00 0.00 H new ATOM 1740 N LYS A 127 2.305 -5.471 -6.618 1.00 0.00 N ATOM 1741 CA LYS A 127 1.693 -4.160 -6.679 1.00 0.00 C ATOM 1742 C LYS A 127 0.265 -4.219 -6.161 1.00 0.00 C ATOM 1743 O LYS A 127 -0.325 -5.296 -6.065 1.00 0.00 O ATOM 1744 CB LYS A 127 1.674 -3.615 -8.110 1.00 0.00 C ATOM 1745 CG LYS A 127 0.589 -4.218 -8.992 1.00 0.00 C ATOM 1746 CD LYS A 127 0.403 -3.429 -10.282 1.00 0.00 C ATOM 1747 CE LYS A 127 -0.104 -2.009 -10.031 1.00 0.00 C ATOM 1748 NZ LYS A 127 -1.446 -1.981 -9.383 1.00 0.00 N ATOM 0 H LYS A 127 1.645 -6.230 -6.446 1.00 0.00 H new ATOM 0 HA LYS A 127 2.291 -3.495 -6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.538 -2.534 -8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 127 2.645 -3.799 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.847 -5.250 -9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -0.352 -4.244 -8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.352 -3.383 -10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.301 -3.954 -10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.610 -1.479 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.152 -1.472 -10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -2.088 -1.382 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.829 -2.947 -9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.359 -1.595 -8.421 1.00 0.00 H new ATOM 1762 N VAL A 128 -0.271 -3.058 -5.835 1.00 0.00 N ATOM 1763 CA VAL A 128 -1.673 -2.904 -5.526 1.00 0.00 C ATOM 1764 C VAL A 128 -2.042 -1.428 -5.677 1.00 0.00 C ATOM 1765 O VAL A 128 -2.014 -0.673 -4.698 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.065 -3.502 -4.148 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.218 -2.964 -3.025 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -3.540 -3.301 -3.873 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.283 -1.016 -6.828 1.00 0.00 O ATOM 0 H VAL A 128 0.262 -2.190 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.261 -3.488 -6.234 1.00 0.00 H new ATOM 0 HB VAL A 128 -1.870 -4.573 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.533 -3.414 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.171 -3.206 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.335 -1.882 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.791 -3.728 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.768 -2.235 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.125 -3.795 -4.649 1.00 0.00 H new TER 1779 VAL A 128