USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 651 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 ASN : amide:sc= -0.757 X(o=-0.77,f=-0.63) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.0142 X(o=-0.77,f=-0.63) USER MOD Single : A 38 ASN : amide:sc= -0.0406 K(o=-0.041,f=-0.88) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00706 X(o=-0.0071,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.175 K(o=-0.17,f=-1.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 74 THR OG1 : rot 87:sc= 0.925 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -83:sc= 1.04 USER MOD Single : A 86 THR OG1 : rot -44:sc= 0.91 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.671 K(o=0.67,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.322 K(o=-0.32,f=-1.2!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 106 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 107 SER OG : rot 40:sc= 0.284 USER MOD Single : A 108 GLN : amide:sc= -0.0078 X(o=-0.0078,f=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 110 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.033) USER MOD Single : A 111 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 112 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0255) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 36 -20.146 -20.709 4.778 1.00 0.00 N ATOM 2 CA GLY A 36 -19.119 -20.293 3.783 1.00 0.00 C ATOM 3 C GLY A 36 -19.498 -19.015 3.058 1.00 0.00 C ATOM 4 O GLY A 36 -19.120 -17.921 3.483 1.00 0.00 O ATOM 0 HA2 GLY A 36 -18.164 -20.151 4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -18.978 -21.092 3.055 1.00 0.00 H new ATOM 10 N GLU A 37 -20.250 -19.154 1.963 1.00 0.00 N ATOM 11 CA GLU A 37 -20.692 -18.007 1.168 1.00 0.00 C ATOM 12 C GLU A 37 -19.503 -17.190 0.644 1.00 0.00 C ATOM 13 O GLU A 37 -19.593 -15.969 0.495 1.00 0.00 O ATOM 14 CB GLU A 37 -21.626 -17.117 1.999 1.00 0.00 C ATOM 15 CG GLU A 37 -22.965 -16.840 1.328 1.00 0.00 C ATOM 16 CD GLU A 37 -24.143 -17.009 2.271 1.00 0.00 C ATOM 17 OE1 GLU A 37 -24.102 -16.442 3.383 1.00 0.00 O ATOM 18 OE2 GLU A 37 -25.107 -17.708 1.895 1.00 0.00 O ATOM 0 H GLU A 37 -20.567 -20.055 1.606 1.00 0.00 H new ATOM 0 HA GLU A 37 -21.236 -18.389 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -21.804 -17.593 2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -21.127 -16.169 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -22.965 -15.824 0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -23.086 -17.512 0.479 1.00 0.00 H new ATOM 25 N ASN A 38 -18.391 -17.873 0.361 1.00 0.00 N ATOM 26 CA ASN A 38 -17.192 -17.214 -0.148 1.00 0.00 C ATOM 27 C ASN A 38 -16.418 -18.141 -1.080 1.00 0.00 C ATOM 28 O ASN A 38 -15.544 -18.892 -0.639 1.00 0.00 O ATOM 29 CB ASN A 38 -16.295 -16.767 1.013 1.00 0.00 C ATOM 30 CG ASN A 38 -15.574 -15.462 0.728 1.00 0.00 C ATOM 31 OD1 ASN A 38 -15.451 -15.041 -0.423 1.00 0.00 O ATOM 32 ND2 ASN A 38 -15.092 -14.813 1.782 1.00 0.00 N ATOM 0 H ASN A 38 -18.299 -18.882 0.477 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.502 -16.336 -0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.901 -16.654 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.561 -17.545 1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -14.598 -13.930 1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -15.216 -15.198 2.718 1.00 0.00 H new ATOM 39 N SER A 39 -16.746 -18.088 -2.370 1.00 0.00 N ATOM 40 CA SER A 39 -16.083 -18.926 -3.364 1.00 0.00 C ATOM 41 C SER A 39 -14.682 -18.402 -3.679 1.00 0.00 C ATOM 42 O SER A 39 -14.500 -17.211 -3.942 1.00 0.00 O ATOM 43 CB SER A 39 -16.917 -18.995 -4.647 1.00 0.00 C ATOM 44 OG SER A 39 -16.944 -20.312 -5.167 1.00 0.00 O ATOM 0 H SER A 39 -17.466 -17.474 -2.750 1.00 0.00 H new ATOM 0 HA SER A 39 -15.988 -19.929 -2.947 1.00 0.00 H new ATOM 0 HB2 SER A 39 -17.934 -18.661 -4.442 1.00 0.00 H new ATOM 0 HB3 SER A 39 -16.502 -18.315 -5.391 1.00 0.00 H new ATOM 0 HG SER A 39 -17.484 -20.330 -5.985 1.00 0.00 H new ATOM 50 N ALA A 40 -13.699 -19.310 -3.645 1.00 0.00 N ATOM 51 CA ALA A 40 -12.299 -18.975 -3.919 1.00 0.00 C ATOM 52 C ALA A 40 -11.695 -18.125 -2.799 1.00 0.00 C ATOM 53 O ALA A 40 -12.416 -17.455 -2.058 1.00 0.00 O ATOM 54 CB ALA A 40 -12.163 -18.273 -5.265 1.00 0.00 C ATOM 0 H ALA A 40 -13.853 -20.295 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.739 -19.909 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.115 -18.034 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.528 -18.928 -6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.748 -17.354 -5.257 1.00 0.00 H new ATOM 60 N PRO A 41 -10.352 -18.146 -2.656 1.00 0.00 N ATOM 61 CA PRO A 41 -9.649 -17.382 -1.615 1.00 0.00 C ATOM 62 C PRO A 41 -9.943 -15.886 -1.681 1.00 0.00 C ATOM 63 O PRO A 41 -10.414 -15.378 -2.700 1.00 0.00 O ATOM 64 CB PRO A 41 -8.167 -17.647 -1.904 1.00 0.00 C ATOM 65 CG PRO A 41 -8.151 -18.920 -2.678 1.00 0.00 C ATOM 66 CD PRO A 41 -9.413 -18.918 -3.493 1.00 0.00 C ATOM 0 HA PRO A 41 -9.963 -17.688 -0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.724 -16.831 -2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.594 -17.738 -0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.271 -18.977 -3.319 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.117 -19.782 -2.012 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.263 -18.451 -4.466 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.775 -19.929 -3.677 1.00 0.00 H new ATOM 74 N VAL A 42 -9.661 -15.190 -0.582 1.00 0.00 N ATOM 75 CA VAL A 42 -9.895 -13.753 -0.500 1.00 0.00 C ATOM 76 C VAL A 42 -8.713 -13.042 0.174 1.00 0.00 C ATOM 77 O VAL A 42 -8.892 -12.190 1.046 1.00 0.00 O ATOM 78 CB VAL A 42 -11.213 -13.457 0.259 1.00 0.00 C ATOM 79 CG1 VAL A 42 -11.123 -13.904 1.713 1.00 0.00 C ATOM 80 CG2 VAL A 42 -11.576 -11.981 0.161 1.00 0.00 C ATOM 0 H VAL A 42 -9.269 -15.601 0.265 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.988 -13.368 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.009 -14.031 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.062 -13.683 2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.932 -14.976 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.310 -13.372 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.505 -11.798 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.778 -11.380 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -11.705 -11.707 -0.886 1.00 0.00 H new ATOM 90 N GLY A 43 -7.498 -13.402 -0.244 1.00 0.00 N ATOM 91 CA GLY A 43 -6.303 -12.797 0.321 1.00 0.00 C ATOM 92 C GLY A 43 -5.082 -13.692 0.199 1.00 0.00 C ATOM 93 O GLY A 43 -3.992 -13.220 -0.118 1.00 0.00 O ATOM 0 H GLY A 43 -7.322 -14.102 -0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.107 -11.850 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.478 -12.569 1.372 1.00 0.00 H new ATOM 97 N ALA A 44 -5.267 -14.990 0.447 1.00 0.00 N ATOM 98 CA ALA A 44 -4.172 -15.955 0.358 1.00 0.00 C ATOM 99 C ALA A 44 -3.665 -16.096 -1.078 1.00 0.00 C ATOM 100 O ALA A 44 -2.471 -16.305 -1.304 1.00 0.00 O ATOM 101 CB ALA A 44 -4.613 -17.311 0.895 1.00 0.00 C ATOM 0 H ALA A 44 -6.165 -15.396 0.711 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.351 -15.581 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.786 -18.018 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.912 -17.209 1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.457 -17.677 0.310 1.00 0.00 H new ATOM 107 N ALA A 45 -4.577 -15.983 -2.045 1.00 0.00 N ATOM 108 CA ALA A 45 -4.216 -16.098 -3.456 1.00 0.00 C ATOM 109 C ALA A 45 -3.393 -14.896 -3.921 1.00 0.00 C ATOM 110 O ALA A 45 -2.437 -15.050 -4.682 1.00 0.00 O ATOM 111 CB ALA A 45 -5.467 -16.253 -4.312 1.00 0.00 C ATOM 0 H ALA A 45 -5.568 -15.812 -1.876 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.598 -16.988 -3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.182 -16.337 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.006 -17.150 -4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.109 -15.382 -4.179 1.00 0.00 H new ATOM 117 N ILE A 46 -3.766 -13.701 -3.457 1.00 0.00 N ATOM 118 CA ILE A 46 -3.051 -12.478 -3.828 1.00 0.00 C ATOM 119 C ILE A 46 -1.789 -12.280 -2.981 1.00 0.00 C ATOM 120 O ILE A 46 -0.887 -11.538 -3.372 1.00 0.00 O ATOM 121 CB ILE A 46 -3.945 -11.223 -3.710 1.00 0.00 C ATOM 122 CG1 ILE A 46 -4.444 -11.039 -2.272 1.00 0.00 C ATOM 123 CG2 ILE A 46 -5.116 -11.309 -4.681 1.00 0.00 C ATOM 124 CD1 ILE A 46 -4.335 -9.615 -1.773 1.00 0.00 C ATOM 0 H ILE A 46 -4.555 -13.555 -2.827 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.763 -12.604 -4.872 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.345 -10.351 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.485 -11.357 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.873 -11.692 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.735 -10.417 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.738 -11.380 -5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.713 -12.192 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.706 -9.559 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.292 -9.299 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.929 -8.960 -2.410 1.00 0.00 H new ATOM 136 N ALA A 47 -1.724 -12.951 -1.826 1.00 0.00 N ATOM 137 CA ALA A 47 -0.564 -12.846 -0.940 1.00 0.00 C ATOM 138 C ALA A 47 0.721 -13.293 -1.643 1.00 0.00 C ATOM 139 O ALA A 47 1.818 -12.872 -1.270 1.00 0.00 O ATOM 140 CB ALA A 47 -0.784 -13.669 0.321 1.00 0.00 C ATOM 0 H ALA A 47 -2.459 -13.570 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.450 -11.797 -0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.087 -13.581 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.666 -13.302 0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.931 -14.715 0.052 1.00 0.00 H new ATOM 146 N ASN A 48 0.579 -14.142 -2.664 1.00 0.00 N ATOM 147 CA ASN A 48 1.728 -14.639 -3.422 1.00 0.00 C ATOM 148 C ASN A 48 2.192 -13.608 -4.449 1.00 0.00 C ATOM 149 O ASN A 48 3.365 -13.576 -4.821 1.00 0.00 O ATOM 150 CB ASN A 48 1.376 -15.953 -4.123 1.00 0.00 C ATOM 151 CG ASN A 48 1.581 -17.159 -3.227 1.00 0.00 C ATOM 152 OD1 ASN A 48 2.432 -18.007 -3.494 1.00 0.00 O ATOM 153 ND2 ASN A 48 0.798 -17.245 -2.156 1.00 0.00 N ATOM 0 H ASN A 48 -0.321 -14.499 -2.984 1.00 0.00 H new ATOM 0 HA ASN A 48 2.543 -14.818 -2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.337 -15.920 -4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.989 -16.060 -5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.890 -18.036 -1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.105 -16.520 -1.971 1.00 0.00 H new ATOM 160 N PHE A 49 1.263 -12.764 -4.899 1.00 0.00 N ATOM 161 CA PHE A 49 1.571 -11.725 -5.877 1.00 0.00 C ATOM 162 C PHE A 49 2.644 -10.766 -5.349 1.00 0.00 C ATOM 163 O PHE A 49 3.413 -10.200 -6.126 1.00 0.00 O ATOM 164 CB PHE A 49 0.299 -10.953 -6.235 1.00 0.00 C ATOM 165 CG PHE A 49 -0.094 -11.080 -7.680 1.00 0.00 C ATOM 166 CD1 PHE A 49 -0.402 -12.319 -8.221 1.00 0.00 C ATOM 167 CD2 PHE A 49 -0.154 -9.963 -8.496 1.00 0.00 C ATOM 168 CE1 PHE A 49 -0.763 -12.440 -9.549 1.00 0.00 C ATOM 169 CE2 PHE A 49 -0.514 -10.078 -9.825 1.00 0.00 C ATOM 170 CZ PHE A 49 -0.818 -11.318 -10.353 1.00 0.00 C ATOM 0 H PHE A 49 0.288 -12.781 -4.599 1.00 0.00 H new ATOM 0 HA PHE A 49 1.964 -12.205 -6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.521 -11.310 -5.611 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.444 -9.899 -5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.359 -13.200 -7.597 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.083 -8.991 -8.089 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.002 -13.411 -9.958 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.558 -9.199 -10.451 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.098 -11.410 -11.392 1.00 0.00 H new ATOM 180 N LEU A 50 2.696 -10.592 -4.026 1.00 0.00 N ATOM 181 CA LEU A 50 3.682 -9.709 -3.406 1.00 0.00 C ATOM 182 C LEU A 50 5.084 -10.318 -3.479 1.00 0.00 C ATOM 183 O LEU A 50 5.236 -11.538 -3.561 1.00 0.00 O ATOM 184 CB LEU A 50 3.311 -9.433 -1.945 1.00 0.00 C ATOM 185 CG LEU A 50 2.694 -8.056 -1.678 1.00 0.00 C ATOM 186 CD1 LEU A 50 1.197 -8.178 -1.433 1.00 0.00 C ATOM 187 CD2 LEU A 50 3.377 -7.386 -0.493 1.00 0.00 C ATOM 0 H LEU A 50 2.068 -11.051 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 50 3.683 -8.768 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.609 -10.198 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.207 -9.537 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 50 2.847 -7.434 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.777 -7.190 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.719 -8.615 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.021 -8.817 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.926 -6.409 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.256 -8.006 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.439 -7.262 -0.707 1.00 0.00 H new ATOM 199 N GLU A 51 6.103 -9.460 -3.445 1.00 0.00 N ATOM 200 CA GLU A 51 7.493 -9.913 -3.505 1.00 0.00 C ATOM 201 C GLU A 51 8.009 -10.285 -2.114 1.00 0.00 C ATOM 202 O GLU A 51 7.639 -9.654 -1.123 1.00 0.00 O ATOM 203 CB GLU A 51 8.382 -8.823 -4.114 1.00 0.00 C ATOM 204 CG GLU A 51 9.336 -9.333 -5.186 1.00 0.00 C ATOM 205 CD GLU A 51 10.784 -9.366 -4.727 1.00 0.00 C ATOM 206 OE1 GLU A 51 11.212 -8.422 -4.029 1.00 0.00 O ATOM 207 OE2 GLU A 51 11.492 -10.337 -5.069 1.00 0.00 O ATOM 0 H GLU A 51 5.993 -8.448 -3.376 1.00 0.00 H new ATOM 0 HA GLU A 51 7.530 -10.801 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.747 -8.049 -4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.962 -8.354 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.033 -10.336 -5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.255 -8.698 -6.068 1.00 0.00 H new ATOM 214 N PRO A 52 8.874 -11.318 -2.022 1.00 0.00 N ATOM 215 CA PRO A 52 9.439 -11.771 -0.742 1.00 0.00 C ATOM 216 C PRO A 52 10.102 -10.639 0.043 1.00 0.00 C ATOM 217 O PRO A 52 9.880 -10.500 1.247 1.00 0.00 O ATOM 218 CB PRO A 52 10.479 -12.817 -1.154 1.00 0.00 C ATOM 219 CG PRO A 52 10.022 -13.304 -2.484 1.00 0.00 C ATOM 220 CD PRO A 52 9.367 -12.128 -3.154 1.00 0.00 C ATOM 0 HA PRO A 52 8.666 -12.159 -0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.476 -12.381 -1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.530 -13.631 -0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.861 -13.672 -3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.321 -14.132 -2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.074 -11.571 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.553 -12.441 -3.808 1.00 0.00 H new ATOM 228 N GLN A 53 10.912 -9.830 -0.644 1.00 0.00 N ATOM 229 CA GLN A 53 11.598 -8.710 0.000 1.00 0.00 C ATOM 230 C GLN A 53 10.603 -7.627 0.410 1.00 0.00 C ATOM 231 O GLN A 53 10.664 -7.110 1.526 1.00 0.00 O ATOM 232 CB GLN A 53 12.665 -8.125 -0.928 1.00 0.00 C ATOM 233 CG GLN A 53 13.867 -9.036 -1.117 1.00 0.00 C ATOM 234 CD GLN A 53 15.179 -8.275 -1.166 1.00 0.00 C ATOM 235 OE1 GLN A 53 15.353 -7.264 -0.488 1.00 0.00 O ATOM 236 NE2 GLN A 53 16.115 -8.764 -1.973 1.00 0.00 N ATOM 0 H GLN A 53 11.107 -9.929 -1.640 1.00 0.00 H new ATOM 0 HA GLN A 53 12.087 -9.086 0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.217 -7.920 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.002 -7.170 -0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.901 -9.759 -0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.746 -9.603 -2.040 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.929 -9.606 -2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.019 -8.298 -2.047 1.00 0.00 H new ATOM 245 N ALA A 54 9.679 -7.297 -0.494 1.00 0.00 N ATOM 246 CA ALA A 54 8.663 -6.284 -0.214 1.00 0.00 C ATOM 247 C ALA A 54 7.785 -6.704 0.965 1.00 0.00 C ATOM 248 O ALA A 54 7.375 -5.868 1.771 1.00 0.00 O ATOM 249 CB ALA A 54 7.808 -6.033 -1.448 1.00 0.00 C ATOM 0 H ALA A 54 9.614 -7.715 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 54 9.172 -5.358 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.057 -5.276 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.441 -5.684 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.314 -6.959 -1.742 1.00 0.00 H new ATOM 255 N LEU A 55 7.506 -8.007 1.062 1.00 0.00 N ATOM 256 CA LEU A 55 6.681 -8.544 2.143 1.00 0.00 C ATOM 257 C LEU A 55 7.303 -8.236 3.506 1.00 0.00 C ATOM 258 O LEU A 55 6.604 -7.832 4.437 1.00 0.00 O ATOM 259 CB LEU A 55 6.504 -10.059 1.979 1.00 0.00 C ATOM 260 CG LEU A 55 5.074 -10.571 2.175 1.00 0.00 C ATOM 261 CD1 LEU A 55 4.777 -11.714 1.214 1.00 0.00 C ATOM 262 CD2 LEU A 55 4.856 -11.010 3.617 1.00 0.00 C ATOM 0 H LEU A 55 7.841 -8.709 0.402 1.00 0.00 H new ATOM 0 HA LEU A 55 5.703 -8.065 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.842 -10.343 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.155 -10.565 2.692 1.00 0.00 H new ATOM 0 HG LEU A 55 4.385 -9.755 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.756 -12.064 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.889 -11.365 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.473 -12.533 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.834 -11.371 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.554 -11.810 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.023 -10.164 4.284 1.00 0.00 H new ATOM 274 N GLU A 56 8.620 -8.419 3.613 1.00 0.00 N ATOM 275 CA GLU A 56 9.334 -8.150 4.860 1.00 0.00 C ATOM 276 C GLU A 56 9.237 -6.669 5.232 1.00 0.00 C ATOM 277 O GLU A 56 8.991 -6.327 6.390 1.00 0.00 O ATOM 278 CB GLU A 56 10.804 -8.564 4.734 1.00 0.00 C ATOM 279 CG GLU A 56 11.594 -8.414 6.027 1.00 0.00 C ATOM 280 CD GLU A 56 11.823 -9.735 6.737 1.00 0.00 C ATOM 281 OE1 GLU A 56 10.835 -10.464 6.974 1.00 0.00 O ATOM 282 OE2 GLU A 56 12.990 -10.042 7.057 1.00 0.00 O ATOM 0 H GLU A 56 9.212 -8.752 2.852 1.00 0.00 H new ATOM 0 HA GLU A 56 8.868 -8.737 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.853 -9.603 4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.277 -7.962 3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.557 -7.954 5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.062 -7.736 6.695 1.00 0.00 H new ATOM 289 N ARG A 57 9.427 -5.796 4.240 1.00 0.00 N ATOM 290 CA ARG A 57 9.358 -4.354 4.459 1.00 0.00 C ATOM 291 C ARG A 57 7.957 -3.934 4.907 1.00 0.00 C ATOM 292 O ARG A 57 7.810 -3.091 5.794 1.00 0.00 O ATOM 293 CB ARG A 57 9.745 -3.603 3.181 1.00 0.00 C ATOM 294 CG ARG A 57 10.160 -2.161 3.422 1.00 0.00 C ATOM 295 CD ARG A 57 8.963 -1.225 3.384 1.00 0.00 C ATOM 296 NE ARG A 57 9.003 -0.237 4.464 1.00 0.00 N ATOM 297 CZ ARG A 57 8.335 0.919 4.447 1.00 0.00 C ATOM 298 NH1 ARG A 57 7.593 1.256 3.395 1.00 0.00 N ATOM 299 NH2 ARG A 57 8.412 1.744 5.485 1.00 0.00 N ATOM 0 H ARG A 57 9.630 -6.065 3.277 1.00 0.00 H new ATOM 0 HA ARG A 57 10.063 -4.099 5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.565 -4.131 2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.901 -3.619 2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.656 -2.080 4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.885 -1.858 2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.936 -0.711 2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.045 -1.808 3.460 1.00 0.00 H new ATOM 0 HE ARG A 57 9.577 -0.445 5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.531 0.629 2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.086 2.141 3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.981 1.494 6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.902 2.627 5.473 1.00 0.00 H new ATOM 313 N LEU A 58 6.933 -4.526 4.289 1.00 0.00 N ATOM 314 CA LEU A 58 5.545 -4.212 4.628 1.00 0.00 C ATOM 315 C LEU A 58 5.245 -4.546 6.091 1.00 0.00 C ATOM 316 O LEU A 58 4.517 -3.816 6.763 1.00 0.00 O ATOM 317 CB LEU A 58 4.581 -4.970 3.708 1.00 0.00 C ATOM 318 CG LEU A 58 3.151 -4.421 3.671 1.00 0.00 C ATOM 319 CD1 LEU A 58 3.148 -2.952 3.270 1.00 0.00 C ATOM 320 CD2 LEU A 58 2.289 -5.238 2.717 1.00 0.00 C ATOM 0 H LEU A 58 7.039 -5.224 3.553 1.00 0.00 H new ATOM 0 HA LEU A 58 5.402 -3.141 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.985 -4.958 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.545 -6.012 4.025 1.00 0.00 H new ATOM 0 HG LEU A 58 2.728 -4.502 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.123 -2.582 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.727 -2.377 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.592 -2.844 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.277 -4.833 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.712 -5.191 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.261 -6.275 3.050 1.00 0.00 H new ATOM 332 N SER A 59 5.817 -5.648 6.581 1.00 0.00 N ATOM 333 CA SER A 59 5.614 -6.065 7.969 1.00 0.00 C ATOM 334 C SER A 59 6.209 -5.040 8.935 1.00 0.00 C ATOM 335 O SER A 59 5.638 -4.769 9.992 1.00 0.00 O ATOM 336 CB SER A 59 6.240 -7.443 8.216 1.00 0.00 C ATOM 337 OG SER A 59 5.256 -8.463 8.185 1.00 0.00 O ATOM 0 H SER A 59 6.422 -6.265 6.039 1.00 0.00 H new ATOM 0 HA SER A 59 4.541 -6.130 8.147 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.999 -7.642 7.459 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.744 -7.449 9.182 1.00 0.00 H new ATOM 0 HG SER A 59 5.681 -9.332 8.343 1.00 0.00 H new ATOM 343 N ARG A 60 7.359 -4.472 8.562 1.00 0.00 N ATOM 344 CA ARG A 60 8.031 -3.475 9.393 1.00 0.00 C ATOM 345 C ARG A 60 7.207 -2.189 9.488 1.00 0.00 C ATOM 346 O ARG A 60 7.037 -1.635 10.574 1.00 0.00 O ATOM 347 CB ARG A 60 9.426 -3.164 8.839 1.00 0.00 C ATOM 348 CG ARG A 60 10.382 -2.603 9.882 1.00 0.00 C ATOM 349 CD ARG A 60 11.333 -3.671 10.402 1.00 0.00 C ATOM 350 NE ARG A 60 12.676 -3.144 10.642 1.00 0.00 N ATOM 351 CZ ARG A 60 13.586 -2.947 9.683 1.00 0.00 C ATOM 352 NH1 ARG A 60 13.295 -3.211 8.411 1.00 0.00 N ATOM 353 NH2 ARG A 60 14.790 -2.481 9.999 1.00 0.00 N ATOM 0 H ARG A 60 7.842 -4.687 7.690 1.00 0.00 H new ATOM 0 HA ARG A 60 8.133 -3.892 10.395 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.853 -4.075 8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.333 -2.449 8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.956 -1.784 9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.812 -2.187 10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.937 -4.088 11.328 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.388 -4.488 9.682 1.00 0.00 H new ATOM 0 HE ARG A 60 12.934 -2.912 11.601 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.372 -3.566 8.162 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.995 -3.058 7.685 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.018 -2.275 10.972 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.486 -2.330 9.269 1.00 0.00 H new ATOM 367 N VAL A 61 6.694 -1.721 8.348 1.00 0.00 N ATOM 368 CA VAL A 61 5.887 -0.500 8.318 1.00 0.00 C ATOM 369 C VAL A 61 4.546 -0.707 9.031 1.00 0.00 C ATOM 370 O VAL A 61 4.084 0.176 9.754 1.00 0.00 O ATOM 371 CB VAL A 61 5.651 0.011 6.874 1.00 0.00 C ATOM 372 CG1 VAL A 61 4.872 -0.997 6.042 1.00 0.00 C ATOM 373 CG2 VAL A 61 4.943 1.360 6.891 1.00 0.00 C ATOM 0 H VAL A 61 6.822 -2.166 7.439 1.00 0.00 H new ATOM 0 HA VAL A 61 6.455 0.263 8.850 1.00 0.00 H new ATOM 0 HB VAL A 61 6.627 0.137 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.726 -0.603 5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.429 -1.932 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.902 -1.178 6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.787 1.702 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.980 1.259 7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.555 2.086 7.426 1.00 0.00 H new ATOM 383 N ALA A 62 3.931 -1.876 8.827 1.00 0.00 N ATOM 384 CA ALA A 62 2.647 -2.197 9.458 1.00 0.00 C ATOM 385 C ALA A 62 2.731 -2.128 10.984 1.00 0.00 C ATOM 386 O ALA A 62 1.734 -1.848 11.651 1.00 0.00 O ATOM 387 CB ALA A 62 2.171 -3.578 9.027 1.00 0.00 C ATOM 0 H ALA A 62 4.301 -2.616 8.230 1.00 0.00 H new ATOM 0 HA ALA A 62 1.927 -1.448 9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.217 -3.800 9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.048 -3.599 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.907 -4.325 9.323 1.00 0.00 H new ATOM 393 N LEU A 63 3.922 -2.383 11.531 1.00 0.00 N ATOM 394 CA LEU A 63 4.129 -2.346 12.980 1.00 0.00 C ATOM 395 C LEU A 63 3.878 -0.944 13.535 1.00 0.00 C ATOM 396 O LEU A 63 3.430 -0.790 14.671 1.00 0.00 O ATOM 397 CB LEU A 63 5.554 -2.785 13.333 1.00 0.00 C ATOM 398 CG LEU A 63 5.851 -4.274 13.136 1.00 0.00 C ATOM 399 CD1 LEU A 63 7.338 -4.496 12.897 1.00 0.00 C ATOM 400 CD2 LEU A 63 5.374 -5.078 14.338 1.00 0.00 C ATOM 0 H LEU A 63 4.756 -2.617 10.993 1.00 0.00 H new ATOM 0 HA LEU A 63 3.417 -3.036 13.432 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.254 -2.209 12.727 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.748 -2.528 14.374 1.00 0.00 H new ATOM 0 HG LEU A 63 5.308 -4.619 12.256 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.529 -5.560 12.759 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.648 -3.953 12.004 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.903 -4.134 13.756 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.594 -6.134 14.180 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.887 -4.731 15.235 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.299 -4.945 14.461 1.00 0.00 H new ATOM 412 N VAL A 64 4.181 0.074 12.730 1.00 0.00 N ATOM 413 CA VAL A 64 3.999 1.461 13.144 1.00 0.00 C ATOM 414 C VAL A 64 2.736 2.065 12.530 1.00 0.00 C ATOM 415 O VAL A 64 1.839 2.509 13.249 1.00 0.00 O ATOM 416 CB VAL A 64 5.213 2.335 12.762 1.00 0.00 C ATOM 417 CG1 VAL A 64 5.469 3.380 13.835 1.00 0.00 C ATOM 418 CG2 VAL A 64 6.459 1.487 12.535 1.00 0.00 C ATOM 0 H VAL A 64 4.554 -0.038 11.787 1.00 0.00 H new ATOM 0 HA VAL A 64 3.900 1.449 14.229 1.00 0.00 H new ATOM 0 HB VAL A 64 4.981 2.841 11.825 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.328 3.989 13.552 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.591 4.017 13.939 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.672 2.884 14.784 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.295 2.133 12.268 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.699 0.942 13.448 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.275 0.779 11.727 1.00 0.00 H new ATOM 428 N ARG A 65 2.671 2.078 11.199 1.00 0.00 N ATOM 429 CA ARG A 65 1.518 2.627 10.492 1.00 0.00 C ATOM 430 C ARG A 65 0.821 1.548 9.671 1.00 0.00 C ATOM 431 O ARG A 65 1.133 1.346 8.495 1.00 0.00 O ATOM 432 CB ARG A 65 1.947 3.785 9.587 1.00 0.00 C ATOM 433 CG ARG A 65 2.446 5.001 10.350 1.00 0.00 C ATOM 434 CD ARG A 65 1.331 6.006 10.595 1.00 0.00 C ATOM 435 NE ARG A 65 1.266 7.027 9.549 1.00 0.00 N ATOM 436 CZ ARG A 65 0.319 7.965 9.481 1.00 0.00 C ATOM 437 NH1 ARG A 65 -0.648 8.016 10.393 1.00 0.00 N ATOM 438 NH2 ARG A 65 0.339 8.856 8.497 1.00 0.00 N ATOM 0 H ARG A 65 3.404 1.714 10.590 1.00 0.00 H new ATOM 0 HA ARG A 65 0.814 3.003 11.234 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.734 3.439 8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.103 4.079 8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.867 4.685 11.304 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.250 5.478 9.789 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.377 5.482 10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.484 6.487 11.561 1.00 0.00 H new ATOM 0 HE ARG A 65 1.988 7.022 8.828 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.670 7.335 11.152 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.368 8.736 10.333 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.077 8.823 7.794 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.384 9.573 8.444 1.00 0.00 H new ATOM 452 N ARG A 66 -0.130 0.858 10.300 1.00 0.00 N ATOM 453 CA ARG A 66 -0.881 -0.202 9.629 1.00 0.00 C ATOM 454 C ARG A 66 -1.637 0.341 8.416 1.00 0.00 C ATOM 455 O ARG A 66 -1.816 -0.367 7.426 1.00 0.00 O ATOM 456 CB ARG A 66 -1.857 -0.879 10.599 1.00 0.00 C ATOM 457 CG ARG A 66 -2.817 0.079 11.289 1.00 0.00 C ATOM 458 CD ARG A 66 -3.108 -0.363 12.713 1.00 0.00 C ATOM 459 NE ARG A 66 -4.190 0.412 13.320 1.00 0.00 N ATOM 460 CZ ARG A 66 -4.031 1.621 13.865 1.00 0.00 C ATOM 461 NH1 ARG A 66 -2.830 2.198 13.888 1.00 0.00 N ATOM 462 NH2 ARG A 66 -5.075 2.253 14.390 1.00 0.00 N ATOM 0 H ARG A 66 -0.398 1.014 11.272 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.163 -0.945 9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.435 -1.625 10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.285 -1.412 11.359 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.390 1.082 11.297 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.748 0.133 10.725 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.374 -1.420 12.717 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.206 -0.259 13.316 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.125 0.003 13.328 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.025 1.716 13.488 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.716 3.121 14.306 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.996 1.815 14.376 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.956 3.176 14.807 1.00 0.00 H new ATOM 476 N ASP A 67 -2.072 1.604 8.500 1.00 0.00 N ATOM 477 CA ASP A 67 -2.805 2.248 7.407 1.00 0.00 C ATOM 478 C ASP A 67 -2.017 2.179 6.101 1.00 0.00 C ATOM 479 O ASP A 67 -2.581 1.919 5.038 1.00 0.00 O ATOM 480 CB ASP A 67 -3.097 3.713 7.754 1.00 0.00 C ATOM 481 CG ASP A 67 -4.278 4.273 6.982 1.00 0.00 C ATOM 482 OD1 ASP A 67 -4.227 4.276 5.734 1.00 0.00 O ATOM 483 OD2 ASP A 67 -5.251 4.716 7.626 1.00 0.00 O ATOM 0 H ASP A 67 -1.928 2.200 9.315 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.745 1.712 7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.294 3.797 8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.213 4.315 7.545 1.00 0.00 H new ATOM 488 N ARG A 68 -0.710 2.413 6.186 1.00 0.00 N ATOM 489 CA ARG A 68 0.152 2.373 5.010 1.00 0.00 C ATOM 490 C ARG A 68 0.228 0.957 4.433 1.00 0.00 C ATOM 491 O ARG A 68 0.073 0.760 3.229 1.00 0.00 O ATOM 492 CB ARG A 68 1.556 2.872 5.363 1.00 0.00 C ATOM 493 CG ARG A 68 1.863 4.260 4.824 1.00 0.00 C ATOM 494 CD ARG A 68 1.343 5.347 5.753 1.00 0.00 C ATOM 495 NE ARG A 68 2.304 6.438 5.914 1.00 0.00 N ATOM 496 CZ ARG A 68 3.429 6.345 6.628 1.00 0.00 C ATOM 497 NH1 ARG A 68 3.749 5.207 7.240 1.00 0.00 N ATOM 498 NH2 ARG A 68 4.240 7.393 6.727 1.00 0.00 N ATOM 0 H ARG A 68 -0.226 2.632 7.057 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.279 3.029 4.253 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.668 2.880 6.447 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.291 2.169 4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.940 4.372 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.413 4.376 3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.407 5.744 5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.120 4.914 6.728 1.00 0.00 H new ATOM 0 HE ARG A 68 2.102 7.325 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.133 4.397 7.166 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.610 5.145 7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.003 8.267 6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.099 7.323 7.272 1.00 0.00 H new ATOM 512 N ALA A 69 0.475 -0.022 5.304 1.00 0.00 N ATOM 513 CA ALA A 69 0.586 -1.421 4.891 1.00 0.00 C ATOM 514 C ALA A 69 -0.738 -1.983 4.366 1.00 0.00 C ATOM 515 O ALA A 69 -0.754 -2.714 3.374 1.00 0.00 O ATOM 516 CB ALA A 69 1.096 -2.268 6.048 1.00 0.00 C ATOM 0 H ALA A 69 0.602 0.130 6.305 1.00 0.00 H new ATOM 0 HA ALA A 69 1.299 -1.460 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.175 -3.308 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.077 -1.908 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.402 -2.196 6.885 1.00 0.00 H new ATOM 522 N GLN A 70 -1.843 -1.647 5.034 1.00 0.00 N ATOM 523 CA GLN A 70 -3.166 -2.131 4.626 1.00 0.00 C ATOM 524 C GLN A 70 -3.587 -1.529 3.286 1.00 0.00 C ATOM 525 O GLN A 70 -4.255 -2.185 2.487 1.00 0.00 O ATOM 526 CB GLN A 70 -4.225 -1.837 5.696 1.00 0.00 C ATOM 527 CG GLN A 70 -4.384 -0.363 6.029 1.00 0.00 C ATOM 528 CD GLN A 70 -5.806 0.132 5.837 1.00 0.00 C ATOM 529 OE1 GLN A 70 -6.745 -0.395 6.434 1.00 0.00 O ATOM 530 NE2 GLN A 70 -5.972 1.152 5.002 1.00 0.00 N ATOM 0 H GLN A 70 -1.850 -1.044 5.857 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.091 -3.212 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.185 -2.227 5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.965 -2.377 6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.081 -0.194 7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.712 0.222 5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.166 1.559 4.528 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.905 1.528 4.835 1.00 0.00 H new ATOM 539 N ALA A 71 -3.191 -0.280 3.044 1.00 0.00 N ATOM 540 CA ALA A 71 -3.527 0.392 1.796 1.00 0.00 C ATOM 541 C ALA A 71 -2.757 -0.217 0.624 1.00 0.00 C ATOM 542 O ALA A 71 -3.251 -0.235 -0.503 1.00 0.00 O ATOM 543 CB ALA A 71 -3.258 1.887 1.899 1.00 0.00 C ATOM 0 H ALA A 71 -2.640 0.282 3.693 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.592 0.249 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.516 2.369 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.863 2.311 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.202 2.053 2.114 1.00 0.00 H new ATOM 549 N VAL A 72 -1.550 -0.725 0.895 1.00 0.00 N ATOM 550 CA VAL A 72 -0.732 -1.341 -0.148 1.00 0.00 C ATOM 551 C VAL A 72 -1.330 -2.675 -0.594 1.00 0.00 C ATOM 552 O VAL A 72 -1.469 -2.929 -1.793 1.00 0.00 O ATOM 553 CB VAL A 72 0.725 -1.574 0.312 1.00 0.00 C ATOM 554 CG1 VAL A 72 1.560 -2.128 -0.834 1.00 0.00 C ATOM 555 CG2 VAL A 72 1.339 -0.289 0.851 1.00 0.00 C ATOM 0 H VAL A 72 -1.123 -0.721 1.821 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.722 -0.641 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 72 0.715 -2.306 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.584 -2.287 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.137 -3.076 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.558 -1.419 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.364 -0.481 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.337 0.471 0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.756 0.064 1.702 1.00 0.00 H new ATOM 565 N GLU A 73 -1.682 -3.526 0.374 1.00 0.00 N ATOM 566 CA GLU A 73 -2.268 -4.834 0.068 1.00 0.00 C ATOM 567 C GLU A 73 -3.665 -4.680 -0.531 1.00 0.00 C ATOM 568 O GLU A 73 -4.030 -5.402 -1.460 1.00 0.00 O ATOM 569 CB GLU A 73 -2.320 -5.732 1.314 1.00 0.00 C ATOM 570 CG GLU A 73 -2.822 -5.039 2.576 1.00 0.00 C ATOM 571 CD GLU A 73 -4.047 -5.709 3.172 1.00 0.00 C ATOM 572 OE1 GLU A 73 -3.997 -6.935 3.414 1.00 0.00 O ATOM 573 OE2 GLU A 73 -5.054 -5.009 3.401 1.00 0.00 O ATOM 0 H GLU A 73 -1.572 -3.335 1.370 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.624 -5.314 -0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.964 -6.586 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.321 -6.125 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.024 -5.026 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.059 -4.001 2.344 1.00 0.00 H new ATOM 580 N THR A 74 -4.438 -3.725 -0.008 1.00 0.00 N ATOM 581 CA THR A 74 -5.788 -3.474 -0.512 1.00 0.00 C ATOM 582 C THR A 74 -5.731 -2.856 -1.912 1.00 0.00 C ATOM 583 O THR A 74 -6.604 -3.105 -2.744 1.00 0.00 O ATOM 584 CB THR A 74 -6.572 -2.562 0.444 1.00 0.00 C ATOM 585 OG1 THR A 74 -6.720 -3.177 1.713 1.00 0.00 O ATOM 586 CG2 THR A 74 -7.961 -2.222 -0.055 1.00 0.00 C ATOM 0 H THR A 74 -4.153 -3.117 0.760 1.00 0.00 H new ATOM 0 HA THR A 74 -6.309 -4.430 -0.573 1.00 0.00 H new ATOM 0 HB THR A 74 -5.988 -1.644 0.509 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.938 -2.975 2.268 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.459 -1.576 0.668 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.888 -1.707 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.537 -3.139 -0.180 1.00 0.00 H new ATOM 594 N TYR A 75 -4.691 -2.061 -2.167 1.00 0.00 N ATOM 595 CA TYR A 75 -4.506 -1.422 -3.465 1.00 0.00 C ATOM 596 C TYR A 75 -4.229 -2.475 -4.544 1.00 0.00 C ATOM 597 O TYR A 75 -4.831 -2.452 -5.617 1.00 0.00 O ATOM 598 CB TYR A 75 -3.355 -0.408 -3.374 1.00 0.00 C ATOM 599 CG TYR A 75 -2.681 -0.086 -4.689 1.00 0.00 C ATOM 600 CD1 TYR A 75 -1.692 -0.914 -5.204 1.00 0.00 C ATOM 601 CD2 TYR A 75 -3.024 1.051 -5.406 1.00 0.00 C ATOM 602 CE1 TYR A 75 -1.067 -0.620 -6.398 1.00 0.00 C ATOM 603 CE2 TYR A 75 -2.405 1.353 -6.602 1.00 0.00 C ATOM 604 CZ TYR A 75 -1.426 0.515 -7.094 1.00 0.00 C ATOM 605 OH TYR A 75 -0.804 0.814 -8.286 1.00 0.00 O ATOM 0 H TYR A 75 -3.962 -1.845 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.418 -0.894 -3.744 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.739 0.517 -2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.605 -0.794 -2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.408 -1.803 -4.661 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.788 1.711 -5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.301 -1.275 -6.786 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -2.686 2.241 -7.150 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.174 1.646 -8.648 1.00 0.00 H new ATOM 615 N LEU A 76 -3.314 -3.398 -4.247 1.00 0.00 N ATOM 616 CA LEU A 76 -2.958 -4.460 -5.186 1.00 0.00 C ATOM 617 C LEU A 76 -4.136 -5.405 -5.443 1.00 0.00 C ATOM 618 O LEU A 76 -4.410 -5.759 -6.590 1.00 0.00 O ATOM 619 CB LEU A 76 -1.759 -5.257 -4.660 1.00 0.00 C ATOM 620 CG LEU A 76 -1.332 -6.444 -5.532 1.00 0.00 C ATOM 621 CD1 LEU A 76 -0.478 -5.975 -6.703 1.00 0.00 C ATOM 622 CD2 LEU A 76 -0.584 -7.477 -4.700 1.00 0.00 C ATOM 0 H LEU A 76 -2.806 -3.431 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.692 -3.986 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.911 -4.580 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.998 -5.626 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.230 -6.913 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.187 -6.834 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.051 -5.278 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.415 -5.477 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.289 -8.312 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.305 -7.020 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.232 -7.840 -3.902 1.00 0.00 H new ATOM 634 N LYS A 77 -4.818 -5.824 -4.373 1.00 0.00 N ATOM 635 CA LYS A 77 -5.949 -6.746 -4.499 1.00 0.00 C ATOM 636 C LYS A 77 -7.098 -6.142 -5.314 1.00 0.00 C ATOM 637 O LYS A 77 -7.757 -6.855 -6.071 1.00 0.00 O ATOM 638 CB LYS A 77 -6.444 -7.202 -3.119 1.00 0.00 C ATOM 639 CG LYS A 77 -7.207 -6.141 -2.341 1.00 0.00 C ATOM 640 CD LYS A 77 -8.711 -6.359 -2.425 1.00 0.00 C ATOM 641 CE LYS A 77 -9.443 -5.082 -2.811 1.00 0.00 C ATOM 642 NZ LYS A 77 -10.570 -4.780 -1.885 1.00 0.00 N ATOM 0 H LYS A 77 -4.608 -5.541 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.589 -7.619 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.087 -8.073 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.587 -7.522 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.894 -6.159 -1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.959 -5.154 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.926 -7.137 -3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.082 -6.715 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.741 -4.248 -2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.825 -5.177 -3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.040 -3.902 -2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.254 -5.563 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.204 -4.663 -0.919 1.00 0.00 H new ATOM 656 N LYS A 78 -7.338 -4.835 -5.170 1.00 0.00 N ATOM 657 CA LYS A 78 -8.414 -4.180 -5.919 1.00 0.00 C ATOM 658 C LYS A 78 -8.091 -4.137 -7.413 1.00 0.00 C ATOM 659 O LYS A 78 -8.982 -4.285 -8.249 1.00 0.00 O ATOM 660 CB LYS A 78 -8.687 -2.765 -5.388 1.00 0.00 C ATOM 661 CG LYS A 78 -7.510 -1.809 -5.505 1.00 0.00 C ATOM 662 CD LYS A 78 -7.963 -0.358 -5.477 1.00 0.00 C ATOM 663 CE LYS A 78 -8.172 0.132 -4.053 1.00 0.00 C ATOM 664 NZ LYS A 78 -9.069 1.320 -3.998 1.00 0.00 N ATOM 0 H LYS A 78 -6.811 -4.218 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.318 -4.772 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.535 -2.345 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.980 -2.834 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.812 -1.989 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.972 -2.005 -6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.219 0.266 -5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.891 -0.254 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.597 -0.672 -3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.208 0.385 -3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.185 1.622 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.652 2.096 -4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.998 1.073 -4.396 1.00 0.00 H new ATOM 678 N LEU A 79 -6.811 -3.945 -7.746 1.00 0.00 N ATOM 679 CA LEU A 79 -6.381 -3.900 -9.142 1.00 0.00 C ATOM 680 C LEU A 79 -6.513 -5.275 -9.798 1.00 0.00 C ATOM 681 O LEU A 79 -6.983 -5.384 -10.931 1.00 0.00 O ATOM 682 CB LEU A 79 -4.937 -3.404 -9.249 1.00 0.00 C ATOM 683 CG LEU A 79 -4.772 -1.881 -9.209 1.00 0.00 C ATOM 684 CD1 LEU A 79 -3.534 -1.498 -8.414 1.00 0.00 C ATOM 685 CD2 LEU A 79 -4.701 -1.312 -10.619 1.00 0.00 C ATOM 0 H LEU A 79 -6.059 -3.819 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.031 -3.201 -9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.358 -3.839 -8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.508 -3.777 -10.179 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.644 -1.455 -8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.434 -0.413 -8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.627 -1.870 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.652 -1.936 -8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.584 -0.229 -10.569 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.850 -1.745 -11.144 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.619 -1.553 -11.155 1.00 0.00 H new ATOM 697 N ILE A 80 -6.106 -6.322 -9.078 1.00 0.00 N ATOM 698 CA ILE A 80 -6.193 -7.687 -9.597 1.00 0.00 C ATOM 699 C ILE A 80 -7.653 -8.127 -9.719 1.00 0.00 C ATOM 700 O ILE A 80 -8.037 -8.758 -10.704 1.00 0.00 O ATOM 701 CB ILE A 80 -5.437 -8.697 -8.702 1.00 0.00 C ATOM 702 CG1 ILE A 80 -3.999 -8.232 -8.447 1.00 0.00 C ATOM 703 CG2 ILE A 80 -5.439 -10.081 -9.341 1.00 0.00 C ATOM 704 CD1 ILE A 80 -3.412 -8.766 -7.157 1.00 0.00 C ATOM 0 H ILE A 80 -5.715 -6.251 -8.139 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.725 -7.678 -10.581 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.954 -8.753 -7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.371 -8.546 -9.280 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.976 -7.142 -8.424 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.903 -10.779 -8.698 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.467 -10.421 -9.469 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.949 -10.033 -10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.393 -8.397 -7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.018 -8.430 -6.315 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.402 -9.856 -7.185 1.00 0.00 H new ATOM 716 N ALA A 81 -8.460 -7.788 -8.711 1.00 0.00 N ATOM 717 CA ALA A 81 -9.877 -8.150 -8.704 1.00 0.00 C ATOM 718 C ALA A 81 -10.642 -7.458 -9.832 1.00 0.00 C ATOM 719 O ALA A 81 -11.637 -7.990 -10.328 1.00 0.00 O ATOM 720 CB ALA A 81 -10.505 -7.826 -7.356 1.00 0.00 C ATOM 0 H ALA A 81 -8.156 -7.264 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.943 -9.225 -8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.559 -8.102 -7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.994 -8.385 -6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.412 -6.758 -7.159 1.00 0.00 H new ATOM 726 N THR A 82 -10.177 -6.276 -10.243 1.00 0.00 N ATOM 727 CA THR A 82 -10.830 -5.538 -11.322 1.00 0.00 C ATOM 728 C THR A 82 -10.396 -6.075 -12.682 1.00 0.00 C ATOM 729 O THR A 82 -11.218 -6.577 -13.449 1.00 0.00 O ATOM 730 CB THR A 82 -10.529 -4.035 -11.237 1.00 0.00 C ATOM 731 OG1 THR A 82 -9.164 -3.798 -10.925 1.00 0.00 O ATOM 732 CG2 THR A 82 -11.376 -3.308 -10.213 1.00 0.00 C ATOM 0 H THR A 82 -9.358 -5.814 -9.848 1.00 0.00 H new ATOM 0 HA THR A 82 -11.905 -5.679 -11.209 1.00 0.00 H new ATOM 0 HB THR A 82 -10.771 -3.644 -12.225 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.035 -3.859 -9.955 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.111 -2.251 -10.206 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.430 -3.416 -10.470 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.198 -3.733 -9.225 1.00 0.00 H new ATOM 740 N ASN A 83 -9.098 -5.962 -12.976 1.00 0.00 N ATOM 741 CA ASN A 83 -8.555 -6.434 -14.255 1.00 0.00 C ATOM 742 C ASN A 83 -7.040 -6.208 -14.366 1.00 0.00 C ATOM 743 O ASN A 83 -6.354 -6.955 -15.064 1.00 0.00 O ATOM 744 CB ASN A 83 -9.265 -5.748 -15.434 1.00 0.00 C ATOM 745 CG ASN A 83 -9.729 -4.336 -15.112 1.00 0.00 C ATOM 746 OD1 ASN A 83 -10.927 -4.074 -15.005 1.00 0.00 O ATOM 747 ND2 ASN A 83 -8.783 -3.415 -14.962 1.00 0.00 N ATOM 0 H ASN A 83 -8.406 -5.550 -12.350 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.737 -7.508 -14.293 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.589 -5.716 -16.288 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.125 -6.348 -15.731 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.039 -2.451 -14.750 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.801 -3.672 -15.059 1.00 0.00 H new ATOM 754 N ASN A 84 -6.522 -5.170 -13.699 1.00 0.00 N ATOM 755 CA ASN A 84 -5.093 -4.855 -13.753 1.00 0.00 C ATOM 756 C ASN A 84 -4.245 -5.984 -13.182 1.00 0.00 C ATOM 757 O ASN A 84 -4.071 -6.097 -11.966 1.00 0.00 O ATOM 758 CB ASN A 84 -4.800 -3.561 -13.002 1.00 0.00 C ATOM 759 CG ASN A 84 -4.964 -2.342 -13.884 1.00 0.00 C ATOM 760 OD1 ASN A 84 -3.991 -1.815 -14.422 1.00 0.00 O ATOM 761 ND2 ASN A 84 -6.201 -1.888 -14.039 1.00 0.00 N ATOM 0 H ASN A 84 -7.071 -4.537 -13.118 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.829 -4.730 -14.803 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.468 -3.480 -12.145 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.783 -3.591 -12.611 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.375 -1.070 -14.624 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.978 -2.357 -13.574 1.00 0.00 H new ATOM 768 N VAL A 85 -3.717 -6.807 -14.077 1.00 0.00 N ATOM 769 CA VAL A 85 -2.874 -7.934 -13.689 1.00 0.00 C ATOM 770 C VAL A 85 -1.764 -8.172 -14.713 1.00 0.00 C ATOM 771 O VAL A 85 -1.963 -8.870 -15.709 1.00 0.00 O ATOM 772 CB VAL A 85 -3.684 -9.240 -13.523 1.00 0.00 C ATOM 773 CG1 VAL A 85 -2.903 -10.237 -12.684 1.00 0.00 C ATOM 774 CG2 VAL A 85 -5.050 -8.972 -12.902 1.00 0.00 C ATOM 0 H VAL A 85 -3.858 -6.716 -15.083 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.438 -7.668 -12.726 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.849 -9.664 -14.514 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.483 -11.153 -12.574 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.957 -10.464 -13.175 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.708 -9.810 -11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.594 -9.911 -12.799 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.920 -8.518 -11.919 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.614 -8.294 -13.543 1.00 0.00 H new ATOM 784 N THR A 86 -0.595 -7.587 -14.460 1.00 0.00 N ATOM 785 CA THR A 86 0.552 -7.739 -15.356 1.00 0.00 C ATOM 786 C THR A 86 1.854 -7.303 -14.670 1.00 0.00 C ATOM 787 O THR A 86 2.771 -6.798 -15.320 1.00 0.00 O ATOM 788 CB THR A 86 0.322 -6.939 -16.651 1.00 0.00 C ATOM 789 OG1 THR A 86 1.394 -7.124 -17.563 1.00 0.00 O ATOM 790 CG2 THR A 86 0.160 -5.448 -16.428 1.00 0.00 C ATOM 0 H THR A 86 -0.416 -7.003 -13.643 1.00 0.00 H new ATOM 0 HA THR A 86 0.651 -8.794 -15.610 1.00 0.00 H new ATOM 0 HB THR A 86 -0.612 -7.329 -17.056 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.246 -7.071 -17.082 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.002 -4.952 -17.386 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.698 -5.268 -15.780 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.059 -5.051 -15.958 1.00 0.00 H new ATOM 798 N HIS A 87 1.930 -7.509 -13.350 1.00 0.00 N ATOM 799 CA HIS A 87 3.118 -7.139 -12.578 1.00 0.00 C ATOM 800 C HIS A 87 2.961 -7.511 -11.100 1.00 0.00 C ATOM 801 O HIS A 87 1.926 -8.042 -10.690 1.00 0.00 O ATOM 802 CB HIS A 87 3.396 -5.634 -12.708 1.00 0.00 C ATOM 803 CG HIS A 87 2.303 -4.768 -12.158 1.00 0.00 C ATOM 804 ND1 HIS A 87 1.099 -4.575 -12.803 1.00 0.00 N ATOM 805 CD2 HIS A 87 2.234 -4.048 -11.013 1.00 0.00 C ATOM 806 CE1 HIS A 87 0.337 -3.776 -12.078 1.00 0.00 C ATOM 807 NE2 HIS A 87 1.002 -3.443 -10.988 1.00 0.00 N ATOM 0 H HIS A 87 1.183 -7.929 -12.797 1.00 0.00 H new ATOM 0 HA HIS A 87 3.962 -7.697 -12.984 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.327 -5.400 -12.192 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.545 -5.391 -13.760 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.004 -3.965 -10.260 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.661 -3.451 -12.334 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.656 -2.834 -10.246 1.00 0.00 H new ATOM 816 N LYS A 88 3.996 -7.221 -10.308 1.00 0.00 N ATOM 817 CA LYS A 88 3.987 -7.510 -8.873 1.00 0.00 C ATOM 818 C LYS A 88 4.573 -6.337 -8.081 1.00 0.00 C ATOM 819 O LYS A 88 5.178 -5.431 -8.659 1.00 0.00 O ATOM 820 CB LYS A 88 4.784 -8.786 -8.582 1.00 0.00 C ATOM 821 CG LYS A 88 4.063 -10.068 -8.979 1.00 0.00 C ATOM 822 CD LYS A 88 4.588 -10.620 -10.295 1.00 0.00 C ATOM 823 CE LYS A 88 3.695 -11.728 -10.835 1.00 0.00 C ATOM 824 NZ LYS A 88 3.642 -11.728 -12.324 1.00 0.00 N ATOM 0 H LYS A 88 4.856 -6.784 -10.640 1.00 0.00 H new ATOM 0 HA LYS A 88 2.953 -7.658 -8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.736 -8.737 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.013 -8.825 -7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.188 -10.815 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.994 -9.873 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.653 -9.815 -11.027 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.598 -11.004 -10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.063 -12.693 -10.486 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.688 -11.608 -10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.023 -12.498 -12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.267 -10.817 -12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.599 -11.869 -12.705 1.00 0.00 H new ATOM 838 N ILE A 89 4.392 -6.353 -6.758 1.00 0.00 N ATOM 839 CA ILE A 89 4.909 -5.281 -5.908 1.00 0.00 C ATOM 840 C ILE A 89 6.282 -5.635 -5.335 1.00 0.00 C ATOM 841 O ILE A 89 6.383 -6.300 -4.303 1.00 0.00 O ATOM 842 CB ILE A 89 3.950 -4.948 -4.741 1.00 0.00 C ATOM 843 CG1 ILE A 89 2.534 -4.675 -5.259 1.00 0.00 C ATOM 844 CG2 ILE A 89 4.471 -3.749 -3.955 1.00 0.00 C ATOM 845 CD1 ILE A 89 1.516 -4.465 -4.156 1.00 0.00 C ATOM 0 H ILE A 89 3.896 -7.090 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 89 4.998 -4.404 -6.549 1.00 0.00 H new ATOM 0 HB ILE A 89 3.907 -5.811 -4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.553 -3.792 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.216 -5.511 -5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.787 -3.525 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.457 -3.979 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.542 -2.884 -4.615 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.537 -4.277 -4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.468 -5.357 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.810 -3.610 -3.547 1.00 0.00 H new ATOM 857 N THR A 90 7.334 -5.168 -6.005 1.00 0.00 N ATOM 858 CA THR A 90 8.706 -5.413 -5.559 1.00 0.00 C ATOM 859 C THR A 90 9.081 -4.428 -4.450 1.00 0.00 C ATOM 860 O THR A 90 8.284 -3.558 -4.095 1.00 0.00 O ATOM 861 CB THR A 90 9.683 -5.286 -6.736 1.00 0.00 C ATOM 862 OG1 THR A 90 9.863 -3.926 -7.102 1.00 0.00 O ATOM 863 CG2 THR A 90 9.236 -6.041 -7.972 1.00 0.00 C ATOM 0 H THR A 90 7.263 -4.617 -6.860 1.00 0.00 H new ATOM 0 HA THR A 90 8.770 -6.428 -5.166 1.00 0.00 H new ATOM 0 HB THR A 90 10.616 -5.723 -6.381 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.491 -3.870 -7.853 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.972 -5.909 -8.765 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.143 -7.101 -7.737 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.272 -5.657 -8.304 1.00 0.00 H new ATOM 871 N GLU A 91 10.295 -4.558 -3.909 1.00 0.00 N ATOM 872 CA GLU A 91 10.753 -3.660 -2.846 1.00 0.00 C ATOM 873 C GLU A 91 10.661 -2.199 -3.292 1.00 0.00 C ATOM 874 O GLU A 91 10.278 -1.327 -2.512 1.00 0.00 O ATOM 875 CB GLU A 91 12.191 -3.993 -2.431 1.00 0.00 C ATOM 876 CG GLU A 91 12.667 -3.214 -1.213 1.00 0.00 C ATOM 877 CD GLU A 91 14.131 -3.452 -0.897 1.00 0.00 C ATOM 878 OE1 GLU A 91 14.983 -2.706 -1.425 1.00 0.00 O ATOM 879 OE2 GLU A 91 14.427 -4.385 -0.122 1.00 0.00 O ATOM 0 H GLU A 91 10.972 -5.269 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 91 10.101 -3.804 -1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.262 -5.060 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.859 -3.788 -3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.505 -2.149 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.064 -3.495 -0.350 1.00 0.00 H new ATOM 886 N ALA A 92 11.002 -1.942 -4.556 1.00 0.00 N ATOM 887 CA ALA A 92 10.945 -0.589 -5.109 1.00 0.00 C ATOM 888 C ALA A 92 9.497 -0.125 -5.275 1.00 0.00 C ATOM 889 O ALA A 92 9.156 1.010 -4.936 1.00 0.00 O ATOM 890 CB ALA A 92 11.680 -0.527 -6.442 1.00 0.00 C ATOM 0 H ALA A 92 11.320 -2.653 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 92 11.438 0.084 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.628 0.487 -6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.723 -0.806 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.215 -1.217 -7.146 1.00 0.00 H new ATOM 896 N GLU A 93 8.654 -1.011 -5.805 1.00 0.00 N ATOM 897 CA GLU A 93 7.242 -0.702 -6.031 1.00 0.00 C ATOM 898 C GLU A 93 6.495 -0.471 -4.718 1.00 0.00 C ATOM 899 O GLU A 93 5.690 0.454 -4.613 1.00 0.00 O ATOM 900 CB GLU A 93 6.569 -1.835 -6.814 1.00 0.00 C ATOM 901 CG GLU A 93 6.048 -1.409 -8.178 1.00 0.00 C ATOM 902 CD GLU A 93 7.157 -0.988 -9.125 1.00 0.00 C ATOM 903 OE1 GLU A 93 8.231 -1.628 -9.108 1.00 0.00 O ATOM 904 OE2 GLU A 93 6.951 -0.018 -9.884 1.00 0.00 O ATOM 0 H GLU A 93 8.926 -1.953 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 93 7.199 0.220 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.283 -2.648 -6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.741 -2.230 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.490 -2.233 -8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.349 -0.582 -8.053 1.00 0.00 H new ATOM 911 N ILE A 94 6.758 -1.317 -3.722 1.00 0.00 N ATOM 912 CA ILE A 94 6.090 -1.200 -2.428 1.00 0.00 C ATOM 913 C ILE A 94 6.422 0.125 -1.739 1.00 0.00 C ATOM 914 O ILE A 94 5.552 0.736 -1.117 1.00 0.00 O ATOM 915 CB ILE A 94 6.438 -2.386 -1.495 1.00 0.00 C ATOM 916 CG1 ILE A 94 5.576 -2.343 -0.233 1.00 0.00 C ATOM 917 CG2 ILE A 94 7.917 -2.392 -1.133 1.00 0.00 C ATOM 918 CD1 ILE A 94 5.312 -3.707 0.365 1.00 0.00 C ATOM 0 H ILE A 94 7.425 -2.086 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 94 5.019 -1.224 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 94 6.224 -3.309 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.068 -1.718 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.624 -1.868 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.128 -3.237 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.513 -2.480 -2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 94 8.170 -1.464 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.695 -3.600 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.792 -4.329 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 94 6.259 -4.176 0.633 1.00 0.00 H new ATOM 930 N VAL A 95 7.670 0.579 -1.868 1.00 0.00 N ATOM 931 CA VAL A 95 8.082 1.845 -1.264 1.00 0.00 C ATOM 932 C VAL A 95 7.346 3.015 -1.916 1.00 0.00 C ATOM 933 O VAL A 95 6.833 3.897 -1.226 1.00 0.00 O ATOM 934 CB VAL A 95 9.606 2.074 -1.385 1.00 0.00 C ATOM 935 CG1 VAL A 95 10.008 3.399 -0.749 1.00 0.00 C ATOM 936 CG2 VAL A 95 10.376 0.922 -0.754 1.00 0.00 C ATOM 0 H VAL A 95 8.406 0.093 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 95 7.826 1.790 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 95 9.858 2.115 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.085 3.538 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.490 4.216 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.737 3.393 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.446 1.104 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.115 0.845 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.119 -0.008 -1.261 1.00 0.00 H new ATOM 946 N SER A 96 7.293 3.013 -3.249 1.00 0.00 N ATOM 947 CA SER A 96 6.615 4.071 -3.993 1.00 0.00 C ATOM 948 C SER A 96 5.130 4.121 -3.637 1.00 0.00 C ATOM 949 O SER A 96 4.581 5.197 -3.396 1.00 0.00 O ATOM 950 CB SER A 96 6.789 3.869 -5.501 1.00 0.00 C ATOM 951 OG SER A 96 6.960 5.111 -6.165 1.00 0.00 O ATOM 0 H SER A 96 7.712 2.290 -3.834 1.00 0.00 H new ATOM 0 HA SER A 96 7.070 5.021 -3.713 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.652 3.231 -5.689 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.918 3.354 -5.905 1.00 0.00 H new ATOM 0 HG SER A 96 7.071 4.956 -7.126 1.00 0.00 H new ATOM 957 N ILE A 97 4.484 2.953 -3.594 1.00 0.00 N ATOM 958 CA ILE A 97 3.064 2.882 -3.253 1.00 0.00 C ATOM 959 C ILE A 97 2.826 3.395 -1.833 1.00 0.00 C ATOM 960 O ILE A 97 1.880 4.144 -1.587 1.00 0.00 O ATOM 961 CB ILE A 97 2.505 1.445 -3.380 1.00 0.00 C ATOM 962 CG1 ILE A 97 2.748 0.893 -4.789 1.00 0.00 C ATOM 963 CG2 ILE A 97 1.017 1.425 -3.051 1.00 0.00 C ATOM 964 CD1 ILE A 97 2.974 -0.604 -4.824 1.00 0.00 C ATOM 0 H ILE A 97 4.919 2.051 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 97 2.536 3.515 -3.966 1.00 0.00 H new ATOM 0 HB ILE A 97 3.029 0.808 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.892 1.137 -5.418 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.615 1.393 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.637 0.408 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.865 1.777 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.483 2.077 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.139 -0.923 -5.853 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.848 -0.854 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.098 -1.114 -4.422 1.00 0.00 H new ATOM 976 N LEU A 98 3.701 3.000 -0.907 1.00 0.00 N ATOM 977 CA LEU A 98 3.595 3.433 0.484 1.00 0.00 C ATOM 978 C LEU A 98 3.761 4.949 0.591 1.00 0.00 C ATOM 979 O LEU A 98 3.057 5.605 1.360 1.00 0.00 O ATOM 980 CB LEU A 98 4.648 2.731 1.345 1.00 0.00 C ATOM 981 CG LEU A 98 4.177 1.436 2.015 1.00 0.00 C ATOM 982 CD1 LEU A 98 5.087 0.274 1.646 1.00 0.00 C ATOM 983 CD2 LEU A 98 4.114 1.609 3.526 1.00 0.00 C ATOM 0 H LEU A 98 4.490 2.382 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 98 2.604 3.163 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.514 2.506 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.983 3.422 2.119 1.00 0.00 H new ATOM 0 HG LEU A 98 3.174 1.210 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.733 -0.634 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.077 0.133 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.104 0.489 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.778 0.679 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.104 1.863 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.415 2.409 3.772 1.00 0.00 H new ATOM 995 N ASN A 99 4.693 5.497 -0.191 1.00 0.00 N ATOM 996 CA ASN A 99 4.951 6.936 -0.193 1.00 0.00 C ATOM 997 C ASN A 99 3.734 7.709 -0.699 1.00 0.00 C ATOM 998 O ASN A 99 3.449 8.812 -0.229 1.00 0.00 O ATOM 999 CB ASN A 99 6.173 7.258 -1.060 1.00 0.00 C ATOM 1000 CG ASN A 99 7.452 7.324 -0.249 1.00 0.00 C ATOM 1001 OD1 ASN A 99 8.000 8.402 -0.020 1.00 0.00 O ATOM 1002 ND2 ASN A 99 7.935 6.168 0.194 1.00 0.00 N ATOM 0 H ASN A 99 5.282 4.964 -0.831 1.00 0.00 H new ATOM 0 HA ASN A 99 5.152 7.243 0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.276 6.499 -1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.016 8.211 -1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.792 6.152 0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.449 5.297 -0.019 1.00 0.00 H new ATOM 1009 N GLY A 100 3.008 7.112 -1.646 1.00 0.00 N ATOM 1010 CA GLY A 100 1.820 7.748 -2.187 1.00 0.00 C ATOM 1011 C GLY A 100 0.661 7.698 -1.212 1.00 0.00 C ATOM 1012 O GLY A 100 -0.119 8.644 -1.116 1.00 0.00 O ATOM 0 H GLY A 100 3.224 6.199 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 100 2.044 8.786 -2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.535 7.255 -3.116 1.00 0.00 H new ATOM 1016 N ILE A 101 0.564 6.590 -0.479 1.00 0.00 N ATOM 1017 CA ILE A 101 -0.491 6.406 0.511 1.00 0.00 C ATOM 1018 C ILE A 101 -0.460 7.527 1.554 1.00 0.00 C ATOM 1019 O ILE A 101 -1.506 8.018 1.980 1.00 0.00 O ATOM 1020 CB ILE A 101 -0.358 5.027 1.202 1.00 0.00 C ATOM 1021 CG1 ILE A 101 -1.027 3.948 0.347 1.00 0.00 C ATOM 1022 CG2 ILE A 101 -0.956 5.047 2.602 1.00 0.00 C ATOM 1023 CD1 ILE A 101 -0.530 2.548 0.636 1.00 0.00 C ATOM 0 H ILE A 101 1.208 5.803 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.449 6.444 -0.007 1.00 0.00 H new ATOM 0 HB ILE A 101 0.703 4.797 1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.104 3.983 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.858 4.174 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.846 4.063 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.437 5.789 3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.014 5.303 2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.049 1.838 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.542 2.496 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.724 2.301 1.680 1.00 0.00 H new ATOM 1035 N ALA A 102 0.745 7.932 1.952 1.00 0.00 N ATOM 1036 CA ALA A 102 0.910 9.004 2.930 1.00 0.00 C ATOM 1037 C ALA A 102 0.634 10.371 2.301 1.00 0.00 C ATOM 1038 O ALA A 102 0.149 11.284 2.971 1.00 0.00 O ATOM 1039 CB ALA A 102 2.312 8.972 3.525 1.00 0.00 C ATOM 0 H ALA A 102 1.620 7.534 1.612 1.00 0.00 H new ATOM 0 HA ALA A 102 0.185 8.844 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.417 9.778 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.476 8.014 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.047 9.101 2.731 1.00 0.00 H new ATOM 1045 N LYS A 103 0.958 10.506 1.013 1.00 0.00 N ATOM 1046 CA LYS A 103 0.758 11.763 0.292 1.00 0.00 C ATOM 1047 C LYS A 103 -0.723 12.025 0.004 1.00 0.00 C ATOM 1048 O LYS A 103 -1.183 13.163 0.105 1.00 0.00 O ATOM 1049 CB LYS A 103 1.550 11.755 -1.018 1.00 0.00 C ATOM 1050 CG LYS A 103 1.642 13.122 -1.682 1.00 0.00 C ATOM 1051 CD LYS A 103 3.037 13.393 -2.221 1.00 0.00 C ATOM 1052 CE LYS A 103 4.026 13.666 -1.098 1.00 0.00 C ATOM 1053 NZ LYS A 103 5.332 14.165 -1.612 1.00 0.00 N ATOM 0 H LYS A 103 1.361 9.758 0.448 1.00 0.00 H new ATOM 0 HA LYS A 103 1.121 12.568 0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.557 11.387 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.084 11.054 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.920 13.180 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 103 1.374 13.895 -0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.375 12.537 -2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.007 14.248 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.602 14.400 -0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.187 12.752 -0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.976 14.338 -0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 5.750 13.454 -2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.183 15.051 -2.135 1.00 0.00 H new ATOM 1067 N GLN A 104 -1.463 10.974 -0.359 1.00 0.00 N ATOM 1068 CA GLN A 104 -2.892 11.107 -0.666 1.00 0.00 C ATOM 1069 C GLN A 104 -3.669 11.697 0.517 1.00 0.00 C ATOM 1070 O GLN A 104 -4.701 12.343 0.326 1.00 0.00 O ATOM 1071 CB GLN A 104 -3.491 9.755 -1.070 1.00 0.00 C ATOM 1072 CG GLN A 104 -3.410 8.685 0.010 1.00 0.00 C ATOM 1073 CD GLN A 104 -4.581 7.720 -0.032 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -5.706 8.102 -0.359 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -4.324 6.459 0.298 1.00 0.00 N ATOM 0 H GLN A 104 -1.100 10.025 -0.448 1.00 0.00 H new ATOM 0 HA GLN A 104 -2.981 11.796 -1.506 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.536 9.901 -1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -2.977 9.395 -1.961 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -2.481 8.127 -0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.374 9.164 0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.378 6.184 0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.072 5.766 0.286 1.00 0.00 H new ATOM 1084 N GLN A 105 -3.169 11.473 1.734 1.00 0.00 N ATOM 1085 CA GLN A 105 -3.818 11.986 2.938 1.00 0.00 C ATOM 1086 C GLN A 105 -3.526 13.478 3.122 1.00 0.00 C ATOM 1087 O GLN A 105 -2.606 13.859 3.849 1.00 0.00 O ATOM 1088 CB GLN A 105 -3.354 11.191 4.166 1.00 0.00 C ATOM 1089 CG GLN A 105 -4.187 11.446 5.414 1.00 0.00 C ATOM 1090 CD GLN A 105 -5.432 10.579 5.472 1.00 0.00 C ATOM 1091 OE1 GLN A 105 -6.402 10.819 4.754 1.00 0.00 O ATOM 1092 NE2 GLN A 105 -5.413 9.564 6.331 1.00 0.00 N ATOM 0 H GLN A 105 -2.317 10.940 1.910 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.896 11.865 2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.385 10.127 3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.314 11.441 4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.577 11.259 6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.478 12.496 5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.588 9.400 6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.223 8.950 6.413 1.00 0.00 H new ATOM 1101 N ASN A 106 -4.319 14.316 2.452 1.00 0.00 N ATOM 1102 CA ASN A 106 -4.156 15.767 2.530 1.00 0.00 C ATOM 1103 C ASN A 106 -5.200 16.388 3.461 1.00 0.00 C ATOM 1104 O ASN A 106 -6.265 15.808 3.686 1.00 0.00 O ATOM 1105 CB ASN A 106 -4.265 16.383 1.130 1.00 0.00 C ATOM 1106 CG ASN A 106 -3.796 17.826 1.086 1.00 0.00 C ATOM 1107 OD1 ASN A 106 -4.598 18.745 0.922 1.00 0.00 O ATOM 1108 ND2 ASN A 106 -2.491 18.032 1.230 1.00 0.00 N ATOM 0 H ASN A 106 -5.083 14.012 1.848 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.168 15.978 2.939 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.674 15.792 0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.301 16.332 0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.119 18.981 1.207 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.861 17.241 1.364 1.00 0.00 H new ATOM 1115 N SER A 107 -4.886 17.568 4.000 1.00 0.00 N ATOM 1116 CA SER A 107 -5.796 18.264 4.906 1.00 0.00 C ATOM 1117 C SER A 107 -5.713 19.780 4.716 1.00 0.00 C ATOM 1118 O SER A 107 -4.676 20.392 4.978 1.00 0.00 O ATOM 1119 CB SER A 107 -5.480 17.898 6.361 1.00 0.00 C ATOM 1120 OG SER A 107 -4.117 18.140 6.670 1.00 0.00 O ATOM 0 H SER A 107 -4.010 18.059 3.824 1.00 0.00 H new ATOM 0 HA SER A 107 -6.812 17.947 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.115 18.478 7.030 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.713 16.847 6.532 1.00 0.00 H new ATOM 0 HG SER A 107 -3.830 18.977 6.250 1.00 0.00 H new ATOM 1126 N GLN A 108 -6.819 20.378 4.259 1.00 0.00 N ATOM 1127 CA GLN A 108 -6.886 21.824 4.030 1.00 0.00 C ATOM 1128 C GLN A 108 -5.918 22.257 2.926 1.00 0.00 C ATOM 1129 O GLN A 108 -5.135 21.452 2.419 1.00 0.00 O ATOM 1130 CB GLN A 108 -6.579 22.582 5.329 1.00 0.00 C ATOM 1131 CG GLN A 108 -7.403 23.849 5.517 1.00 0.00 C ATOM 1132 CD GLN A 108 -7.735 24.124 6.973 1.00 0.00 C ATOM 1133 OE1 GLN A 108 -8.885 24.399 7.317 1.00 0.00 O ATOM 1134 NE2 GLN A 108 -6.729 24.054 7.840 1.00 0.00 N ATOM 0 H GLN A 108 -7.682 19.880 4.040 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.898 22.066 3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -6.755 21.918 6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -5.521 22.844 5.343 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.855 24.698 5.107 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.329 23.763 4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.790 23.823 7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -6.896 24.231 8.830 1.00 0.00 H new ATOM 1143 N ASN A 109 -5.979 23.536 2.559 1.00 0.00 N ATOM 1144 CA ASN A 109 -5.110 24.080 1.518 1.00 0.00 C ATOM 1145 C ASN A 109 -4.101 25.065 2.107 1.00 0.00 C ATOM 1146 O ASN A 109 -2.925 25.045 1.745 1.00 0.00 O ATOM 1147 CB ASN A 109 -5.943 24.772 0.438 1.00 0.00 C ATOM 1148 CG ASN A 109 -5.120 25.126 -0.788 1.00 0.00 C ATOM 1149 OD1 ASN A 109 -4.279 24.344 -1.232 1.00 0.00 O ATOM 1150 ND2 ASN A 109 -5.356 26.310 -1.344 1.00 0.00 N ATOM 0 H ASN A 109 -6.622 24.215 2.968 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.562 23.251 1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.766 24.120 0.144 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -6.386 25.679 0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.831 26.599 -2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.062 26.929 -0.945 1.00 0.00 H new ATOM 1157 N ASN A 110 -4.574 25.927 3.013 1.00 0.00 N ATOM 1158 CA ASN A 110 -3.723 26.929 3.659 1.00 0.00 C ATOM 1159 C ASN A 110 -3.266 27.992 2.661 1.00 0.00 C ATOM 1160 O ASN A 110 -3.425 27.833 1.449 1.00 0.00 O ATOM 1161 CB ASN A 110 -2.501 26.271 4.316 1.00 0.00 C ATOM 1162 CG ASN A 110 -2.870 25.082 5.185 1.00 0.00 C ATOM 1163 OD1 ASN A 110 -2.399 23.967 4.963 1.00 0.00 O ATOM 1164 ND2 ASN A 110 -3.718 25.314 6.182 1.00 0.00 N ATOM 0 H ASN A 110 -5.548 25.950 3.316 1.00 0.00 H new ATOM 0 HA ASN A 110 -4.319 27.413 4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.807 25.947 3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.978 27.010 4.923 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.002 24.552 6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -4.085 26.254 6.331 1.00 0.00 H new ATOM 1171 N SER A 111 -2.698 29.079 3.180 1.00 0.00 N ATOM 1172 CA SER A 111 -2.217 30.171 2.338 1.00 0.00 C ATOM 1173 C SER A 111 -1.330 31.128 3.133 1.00 0.00 C ATOM 1174 O SER A 111 -0.128 31.225 2.880 1.00 0.00 O ATOM 1175 CB SER A 111 -3.399 30.932 1.726 1.00 0.00 C ATOM 1176 OG SER A 111 -4.414 31.163 2.689 1.00 0.00 O ATOM 0 H SER A 111 -2.560 29.226 4.180 1.00 0.00 H new ATOM 0 HA SER A 111 -1.619 29.740 1.535 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.053 31.884 1.323 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.809 30.363 0.891 1.00 0.00 H new ATOM 0 HG SER A 111 -5.155 31.651 2.273 1.00 0.00 H new ATOM 1182 N LYS A 112 -1.931 31.832 4.093 1.00 0.00 N ATOM 1183 CA LYS A 112 -1.196 32.780 4.926 1.00 0.00 C ATOM 1184 C LYS A 112 -1.257 32.383 6.403 1.00 0.00 C ATOM 1185 O LYS A 112 -1.170 33.235 7.290 1.00 0.00 O ATOM 1186 CB LYS A 112 -1.759 34.192 4.732 1.00 0.00 C ATOM 1187 CG LYS A 112 -1.051 34.984 3.644 1.00 0.00 C ATOM 1188 CD LYS A 112 0.194 35.684 4.174 1.00 0.00 C ATOM 1189 CE LYS A 112 -0.160 36.899 5.022 1.00 0.00 C ATOM 1190 NZ LYS A 112 0.173 36.699 6.463 1.00 0.00 N ATOM 0 H LYS A 112 -2.925 31.762 4.312 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.150 32.765 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.819 34.121 4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.685 34.737 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.773 34.315 2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.735 35.724 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.780 34.983 4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.821 35.994 3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.375 37.771 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.225 37.111 4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.345 37.393 7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.099 35.738 6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.195 36.827 6.604 1.00 0.00 H new ATOM 1204 N ILE A 113 -1.400 31.081 6.659 1.00 0.00 N ATOM 1205 CA ILE A 113 -1.466 30.567 8.024 1.00 0.00 C ATOM 1206 C ILE A 113 -0.126 29.967 8.456 1.00 0.00 C ATOM 1207 O ILE A 113 0.215 29.989 9.640 1.00 0.00 O ATOM 1208 CB ILE A 113 -2.575 29.500 8.178 1.00 0.00 C ATOM 1209 CG1 ILE A 113 -3.903 30.011 7.606 1.00 0.00 C ATOM 1210 CG2 ILE A 113 -2.741 29.112 9.643 1.00 0.00 C ATOM 1211 CD1 ILE A 113 -4.408 29.206 6.427 1.00 0.00 C ATOM 0 H ILE A 113 -1.472 30.365 5.937 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.703 31.415 8.667 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.278 28.615 7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -4.657 29.998 8.393 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -3.781 31.050 7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -3.525 28.360 9.734 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -1.803 28.705 10.020 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.014 29.993 10.224 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.351 29.626 6.076 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.674 29.240 5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.564 28.171 6.733 1.00 0.00 H new ATOM 1223 N ILE A 114 0.629 29.429 7.491 1.00 0.00 N ATOM 1224 CA ILE A 114 1.930 28.822 7.777 1.00 0.00 C ATOM 1225 C ILE A 114 2.876 29.827 8.440 1.00 0.00 C ATOM 1226 O ILE A 114 3.210 29.683 9.615 1.00 0.00 O ATOM 1227 CB ILE A 114 2.600 28.263 6.497 1.00 0.00 C ATOM 1228 CG1 ILE A 114 1.638 27.346 5.732 1.00 0.00 C ATOM 1229 CG2 ILE A 114 3.879 27.513 6.852 1.00 0.00 C ATOM 1230 CD1 ILE A 114 1.574 27.641 4.248 1.00 0.00 C ATOM 0 H ILE A 114 0.360 29.403 6.507 1.00 0.00 H new ATOM 0 HA ILE A 114 1.742 27.995 8.462 1.00 0.00 H new ATOM 0 HB ILE A 114 2.855 29.103 5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.945 26.310 5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.639 27.444 6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 114 4.338 27.126 5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.573 28.191 7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 114 3.642 26.684 7.519 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.875 26.955 3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.238 28.667 4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.564 27.514 3.809 1.00 0.00 H new ATOM 1242 N PHE A 115 3.297 30.844 7.678 1.00 0.00 N ATOM 1243 CA PHE A 115 4.201 31.882 8.181 1.00 0.00 C ATOM 1244 C PHE A 115 5.591 31.319 8.489 1.00 0.00 C ATOM 1245 O PHE A 115 6.553 31.620 7.782 1.00 0.00 O ATOM 1246 CB PHE A 115 3.611 32.557 9.427 1.00 0.00 C ATOM 1247 CG PHE A 115 4.403 33.743 9.909 1.00 0.00 C ATOM 1248 CD1 PHE A 115 4.141 35.015 9.422 1.00 0.00 C ATOM 1249 CD2 PHE A 115 5.410 33.587 10.851 1.00 0.00 C ATOM 1250 CE1 PHE A 115 4.865 36.107 9.866 1.00 0.00 C ATOM 1251 CE2 PHE A 115 6.137 34.674 11.297 1.00 0.00 C ATOM 1252 CZ PHE A 115 5.864 35.936 10.804 1.00 0.00 C ATOM 0 H PHE A 115 3.023 30.969 6.704 1.00 0.00 H new ATOM 0 HA PHE A 115 4.311 32.629 7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 115 2.593 32.877 9.207 1.00 0.00 H new ATOM 0 HB3 PHE A 115 3.548 31.823 10.231 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.362 35.155 8.687 1.00 0.00 H new ATOM 0 HD2 PHE A 115 5.628 32.604 11.240 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.649 37.092 9.480 1.00 0.00 H new ATOM 0 HE2 PHE A 115 6.918 34.538 12.030 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.431 36.787 11.152 1.00 0.00 H new ATOM 1262 N GLU A 116 5.692 30.507 9.542 1.00 0.00 N ATOM 1263 CA GLU A 116 6.967 29.913 9.933 1.00 0.00 C ATOM 1264 C GLU A 116 6.758 28.608 10.700 1.00 0.00 C ATOM 1265 O GLU A 116 7.650 27.736 10.631 1.00 0.00 O ATOM 1266 CB GLU A 116 7.770 30.896 10.790 1.00 0.00 C ATOM 1267 CG GLU A 116 9.242 30.528 10.922 1.00 0.00 C ATOM 1268 CD GLU A 116 9.808 30.851 12.293 1.00 0.00 C ATOM 1269 OE1 GLU A 116 9.457 30.145 13.262 1.00 0.00 O ATOM 1270 OE2 GLU A 116 10.607 31.807 12.397 1.00 0.00 O ATOM 1271 OXT GLU A 116 5.710 28.468 11.366 1.00 0.00 O ATOM 0 H GLU A 116 4.906 30.247 10.138 1.00 0.00 H new ATOM 0 HA GLU A 116 7.524 29.690 9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 116 7.691 31.893 10.356 1.00 0.00 H new ATOM 0 HB3 GLU A 116 7.326 30.945 11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 116 9.365 29.463 10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.815 31.061 10.163 1.00 0.00 H new TER 1278 GLU A 116