USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 869 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 129 SER OG : rot -67:sc= 1.13 USER MOD Set 1.2: A 130 GLN : amide:sc= -1.16 K(o=-0.031,f=-2!) USER MOD Set 2.1: A 119 GLN : amide:sc= -0.0876 X(o=0.47,f=0.41) USER MOD Set 2.2: A 123 THR OG1 : rot 65:sc= 0.563 USER MOD Set 3.1: A 74 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.23) USER MOD Set 3.2: A 76 ASN :FLIP amide:sc= -1.47 F(o=-1.9!,f=-0.17) USER MOD Set 4.1: A 68 GLN :FLIP amide:sc= -0.148 F(o=-7.6!,f=-2.7) USER MOD Set 4.2: A 71 SER OG : rot 92:sc= -2.56! USER MOD Set 5.1: A 61 CYS SG : rot 19:sc= -7.43! USER MOD Set 5.2: A 65 ASN : amide:sc= -1.18 K(o=-9.4,f=-14!) USER MOD Set 5.3: A 87 ASN : amide:sc= -0.779 K(o=-9.4,f=-16!) USER MOD Set 6.1: A 55 LYS NZ :NH3+ 139:sc= 0.0638 (180deg=0) USER MOD Set 6.2: A 114 ASN : amide:sc= -1.38 K(o=-1.3,f=-8.4!) USER MOD Single : A 27 MET CE :methyl -152:sc= -4.14! (180deg=-5.5!) USER MOD Single : A 29 GLN :FLIP amide:sc= -4.48! C(o=-8.2!,f=-4.5!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.235 F(o=-2.2!,f=-0.24) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 49 ASN :FLIP amide:sc= -1.49 F(o=-5.9!,f=-1.5) USER MOD Single : A 51 MET CE :methyl 154:sc= -2.7! (180deg=-2.84!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.01 K(o=-1,f=-3.3!) USER MOD Single : A 81 ASN : amide:sc= -1.6 K(o=-1.6,f=-5.1!) USER MOD Single : A 83 HIS : no HE2:sc= -2.12 K(o=-2.1,f=-6.9!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.684 F(o=-2.3,f=-0.68) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 165:sc= -2.16! USER MOD Single : A 101 LYS NZ :NH3+ 146:sc= -3.97! (180deg=-6.62!) USER MOD Single : A 103 HIS :FLIP no HE2:sc=-0.00861 F(o=-0.53,f=-0.0086) USER MOD Single : A 109 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.7!) USER MOD Single : A 115 THR OG1 : rot 93:sc= -2.78! USER MOD Single : A 116 ASN :FLIP amide:sc= -3.42! C(o=-6.4!,f=-3.4!) USER MOD Single : A 117 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-4.9!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -167:sc= -0.0329 (180deg=-0.246) USER MOD Single : A 133 THR OG1 : rot 89:sc= 0.75 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 27 -15.182 -9.833 -8.810 1.00 0.00 N ATOM 2 CA MET A 27 -15.638 -9.207 -10.078 1.00 0.00 C ATOM 3 C MET A 27 -14.572 -8.274 -10.663 1.00 0.00 C ATOM 4 O MET A 27 -14.262 -8.357 -11.851 1.00 0.00 O ATOM 5 CB MET A 27 -16.933 -8.435 -9.806 1.00 0.00 C ATOM 6 CG MET A 27 -17.536 -7.766 -11.036 1.00 0.00 C ATOM 7 SD MET A 27 -18.275 -8.933 -12.203 1.00 0.00 S ATOM 8 CE MET A 27 -16.826 -9.650 -12.974 1.00 0.00 C ATOM 0 HA MET A 27 -15.816 -9.991 -10.814 1.00 0.00 H new ATOM 0 HB2 MET A 27 -17.668 -9.120 -9.382 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.736 -7.673 -9.052 1.00 0.00 H new ATOM 0 HG2 MET A 27 -18.296 -7.054 -10.716 1.00 0.00 H new ATOM 0 HG3 MET A 27 -16.760 -7.196 -11.547 1.00 0.00 H new ATOM 0 HE1 MET A 27 -17.074 -9.973 -13.985 1.00 0.00 H new ATOM 0 HE2 MET A 27 -16.031 -8.906 -13.016 1.00 0.00 H new ATOM 0 HE3 MET A 27 -16.490 -10.507 -12.391 1.00 0.00 H new ATOM 20 N PRO A 28 -13.995 -7.367 -9.844 1.00 0.00 N ATOM 21 CA PRO A 28 -12.966 -6.432 -10.311 1.00 0.00 C ATOM 22 C PRO A 28 -11.600 -7.094 -10.471 1.00 0.00 C ATOM 23 O PRO A 28 -10.582 -6.549 -10.043 1.00 0.00 O ATOM 24 CB PRO A 28 -12.926 -5.379 -9.205 1.00 0.00 C ATOM 25 CG PRO A 28 -13.314 -6.119 -7.972 1.00 0.00 C ATOM 26 CD PRO A 28 -14.294 -7.177 -8.408 1.00 0.00 C ATOM 0 HA PRO A 28 -13.197 -6.030 -11.298 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.932 -4.941 -9.109 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.616 -4.561 -9.411 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.442 -6.568 -7.497 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.765 -5.448 -7.241 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.160 -8.101 -7.846 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -15.324 -6.856 -8.253 1.00 0.00 H new ATOM 34 N GLN A 29 -11.583 -8.273 -11.089 1.00 0.00 N ATOM 35 CA GLN A 29 -10.342 -9.007 -11.305 1.00 0.00 C ATOM 36 C GLN A 29 -9.361 -8.189 -12.131 1.00 0.00 C ATOM 37 O GLN A 29 -8.147 -8.308 -11.967 1.00 0.00 O ATOM 38 CB GLN A 29 -10.623 -10.348 -11.999 1.00 0.00 C ATOM 39 CG GLN A 29 -11.326 -10.222 -13.349 1.00 0.00 C ATOM 40 CD GLN A 29 -10.414 -9.760 -14.479 1.00 0.00 C ATOM 41 OE1 GLN A 29 -9.106 -9.739 -14.236 1.00 0.00 O flip ATOM 42 NE2 GLN A 29 -10.885 -9.443 -15.572 1.00 0.00 N flip ATOM 0 H GLN A 29 -12.416 -8.739 -11.449 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.894 -9.200 -10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.679 -10.875 -12.142 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.235 -10.964 -11.340 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.757 -11.187 -13.615 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.153 -9.519 -13.253 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.894 -9.472 -15.720 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.266 -9.152 -16.329 1.00 0.00 H new ATOM 51 N THR A 30 -9.900 -7.379 -13.041 1.00 0.00 N ATOM 52 CA THR A 30 -9.082 -6.556 -13.923 1.00 0.00 C ATOM 53 C THR A 30 -7.930 -5.899 -13.172 1.00 0.00 C ATOM 54 O THR A 30 -8.113 -4.897 -12.479 1.00 0.00 O ATOM 55 CB THR A 30 -9.924 -5.463 -14.608 1.00 0.00 C ATOM 56 OG1 THR A 30 -10.987 -6.063 -15.359 1.00 0.00 O ATOM 57 CG2 THR A 30 -9.064 -4.614 -15.533 1.00 0.00 C ATOM 0 H THR A 30 -10.905 -7.277 -13.185 1.00 0.00 H new ATOM 0 HA THR A 30 -8.674 -7.224 -14.681 1.00 0.00 H new ATOM 0 HB THR A 30 -10.341 -4.820 -13.833 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.519 -5.362 -15.790 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.682 -3.850 -16.004 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.272 -4.136 -14.956 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.621 -5.248 -16.302 1.00 0.00 H new ATOM 65 N GLU A 31 -6.740 -6.468 -13.329 1.00 0.00 N ATOM 66 CA GLU A 31 -5.546 -5.942 -12.685 1.00 0.00 C ATOM 67 C GLU A 31 -5.180 -4.592 -13.286 1.00 0.00 C ATOM 68 O GLU A 31 -4.577 -3.746 -12.626 1.00 0.00 O ATOM 69 CB GLU A 31 -4.380 -6.921 -12.837 1.00 0.00 C ATOM 70 CG GLU A 31 -4.014 -7.213 -14.279 1.00 0.00 C ATOM 71 CD GLU A 31 -2.861 -8.189 -14.403 1.00 0.00 C ATOM 72 OE1 GLU A 31 -1.763 -7.879 -13.895 1.00 0.00 O ATOM 73 OE2 GLU A 31 -3.056 -9.265 -15.008 1.00 0.00 O ATOM 0 H GLU A 31 -6.578 -7.298 -13.900 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.752 -5.812 -11.623 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.507 -6.515 -12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.635 -7.857 -12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.884 -7.617 -14.796 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.751 -6.281 -14.779 1.00 0.00 H new ATOM 80 N ARG A 32 -5.550 -4.406 -14.550 1.00 0.00 N ATOM 81 CA ARG A 32 -5.266 -3.161 -15.258 1.00 0.00 C ATOM 82 C ARG A 32 -5.779 -1.958 -14.471 1.00 0.00 C ATOM 83 O ARG A 32 -5.091 -0.943 -14.354 1.00 0.00 O ATOM 84 CB ARG A 32 -5.905 -3.187 -16.649 1.00 0.00 C ATOM 85 CG ARG A 32 -5.625 -1.941 -17.476 1.00 0.00 C ATOM 86 CD ARG A 32 -4.139 -1.772 -17.749 1.00 0.00 C ATOM 87 NE ARG A 32 -3.862 -0.587 -18.557 1.00 0.00 N ATOM 88 CZ ARG A 32 -2.641 -0.219 -18.932 1.00 0.00 C ATOM 89 NH1 ARG A 32 -1.587 -0.941 -18.572 1.00 0.00 N ATOM 90 NH2 ARG A 32 -2.472 0.872 -19.667 1.00 0.00 N ATOM 0 H ARG A 32 -6.047 -5.102 -15.105 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.185 -3.068 -15.363 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.541 -4.060 -17.190 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.983 -3.306 -16.541 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.164 -2.002 -18.421 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.001 -1.063 -16.951 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.603 -1.699 -16.803 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.762 -2.657 -18.262 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.650 -0.009 -18.850 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.713 -1.780 -18.006 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.651 -0.656 -18.861 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.279 1.430 -19.945 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.535 1.153 -19.954 1.00 0.00 H new ATOM 104 N GLN A 33 -6.988 -2.080 -13.932 1.00 0.00 N ATOM 105 CA GLN A 33 -7.592 -1.003 -13.152 1.00 0.00 C ATOM 106 C GLN A 33 -6.751 -0.681 -11.920 1.00 0.00 C ATOM 107 O GLN A 33 -6.632 0.479 -11.527 1.00 0.00 O ATOM 108 CB GLN A 33 -9.014 -1.376 -12.732 1.00 0.00 C ATOM 109 CG GLN A 33 -9.970 -1.549 -13.902 1.00 0.00 C ATOM 110 CD GLN A 33 -11.385 -1.860 -13.457 1.00 0.00 C ATOM 111 OE1 GLN A 33 -11.911 -2.994 -13.906 1.00 0.00 O flip ATOM 112 NE2 GLN A 33 -12.000 -1.088 -12.721 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.569 -2.913 -14.020 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.632 -0.115 -13.783 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.983 -2.303 -12.159 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.402 -0.604 -12.068 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.973 -0.639 -14.501 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.610 -2.352 -14.545 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.556 -0.227 -12.400 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.953 -1.309 -12.432 1.00 0.00 H new ATOM 121 N LEU A 34 -6.175 -1.714 -11.313 1.00 0.00 N ATOM 122 CA LEU A 34 -5.347 -1.542 -10.121 1.00 0.00 C ATOM 123 C LEU A 34 -4.212 -0.555 -10.377 1.00 0.00 C ATOM 124 O LEU A 34 -3.952 0.330 -9.561 1.00 0.00 O ATOM 125 CB LEU A 34 -4.768 -2.888 -9.679 1.00 0.00 C ATOM 126 CG LEU A 34 -5.794 -3.924 -9.217 1.00 0.00 C ATOM 127 CD1 LEU A 34 -5.119 -5.265 -8.972 1.00 0.00 C ATOM 128 CD2 LEU A 34 -6.502 -3.449 -7.957 1.00 0.00 C ATOM 0 H LEU A 34 -6.266 -2.680 -11.626 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.981 -1.143 -9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.199 -3.309 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.063 -2.712 -8.866 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.538 -4.048 -10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.862 -5.992 -8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.654 -5.612 -9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.356 -5.153 -8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.228 -4.199 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.770 -3.298 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.016 -2.509 -8.161 1.00 0.00 H new ATOM 140 N ARG A 35 -3.532 -0.721 -11.507 1.00 0.00 N ATOM 141 CA ARG A 35 -2.416 0.146 -11.864 1.00 0.00 C ATOM 142 C ARG A 35 -2.875 1.586 -12.082 1.00 0.00 C ATOM 143 O ARG A 35 -2.339 2.513 -11.480 1.00 0.00 O ATOM 144 CB ARG A 35 -1.727 -0.377 -13.126 1.00 0.00 C ATOM 145 CG ARG A 35 -1.179 -1.786 -12.981 1.00 0.00 C ATOM 146 CD ARG A 35 -0.541 -2.272 -14.272 1.00 0.00 C ATOM 147 NE ARG A 35 0.554 -1.407 -14.707 1.00 0.00 N ATOM 148 CZ ARG A 35 1.673 -1.223 -14.011 1.00 0.00 C ATOM 149 NH1 ARG A 35 1.856 -1.853 -12.858 1.00 0.00 N ATOM 150 NH2 ARG A 35 2.613 -0.410 -14.473 1.00 0.00 N ATOM 0 H ARG A 35 -3.735 -1.449 -12.192 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.709 0.139 -11.034 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.437 -0.356 -13.953 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.911 0.296 -13.389 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.442 -1.810 -12.178 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.984 -2.463 -12.695 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.167 -3.286 -14.131 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.298 -2.318 -15.055 1.00 0.00 H new ATOM 0 HE ARG A 35 0.455 -0.916 -15.596 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.137 -2.482 -12.501 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.716 -1.708 -12.329 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.478 0.073 -15.361 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.471 -0.268 -13.940 1.00 0.00 H new ATOM 164 N VAL A 36 -3.866 1.766 -12.948 1.00 0.00 N ATOM 165 CA VAL A 36 -4.390 3.097 -13.248 1.00 0.00 C ATOM 166 C VAL A 36 -4.878 3.801 -11.984 1.00 0.00 C ATOM 167 O VAL A 36 -4.714 5.012 -11.833 1.00 0.00 O ATOM 168 CB VAL A 36 -5.549 3.026 -14.263 1.00 0.00 C ATOM 169 CG1 VAL A 36 -6.100 4.416 -14.548 1.00 0.00 C ATOM 170 CG2 VAL A 36 -5.090 2.355 -15.549 1.00 0.00 C ATOM 0 H VAL A 36 -4.324 1.009 -13.455 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.569 3.668 -13.680 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.349 2.426 -13.830 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.917 4.343 -15.266 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.469 4.858 -13.622 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.309 5.043 -14.960 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.920 2.313 -16.254 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.271 2.927 -15.986 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.749 1.343 -15.330 1.00 0.00 H new ATOM 180 N TRP A 37 -5.488 3.036 -11.088 1.00 0.00 N ATOM 181 CA TRP A 37 -6.014 3.577 -9.839 1.00 0.00 C ATOM 182 C TRP A 37 -4.913 4.185 -8.967 1.00 0.00 C ATOM 183 O TRP A 37 -4.907 5.390 -8.715 1.00 0.00 O ATOM 184 CB TRP A 37 -6.770 2.471 -9.079 1.00 0.00 C ATOM 185 CG TRP A 37 -6.657 2.542 -7.581 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.733 3.656 -6.791 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.449 1.439 -6.693 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.554 3.312 -5.474 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.391 1.957 -5.386 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.301 0.061 -6.877 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.191 1.147 -4.271 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.107 -0.741 -5.769 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.054 -0.196 -4.481 1.00 0.00 C ATOM 0 H TRP A 37 -5.632 2.033 -11.203 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.703 4.386 -10.081 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.824 2.518 -9.352 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.398 1.502 -9.411 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.908 4.659 -7.151 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.544 3.962 -4.688 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.338 -0.369 -7.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.146 1.565 -3.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.994 -1.807 -5.899 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.902 -0.851 -3.636 1.00 0.00 H new ATOM 204 N ILE A 38 -4.002 3.347 -8.484 1.00 0.00 N ATOM 205 CA ILE A 38 -2.925 3.808 -7.613 1.00 0.00 C ATOM 206 C ILE A 38 -1.987 4.781 -8.323 1.00 0.00 C ATOM 207 O ILE A 38 -1.693 5.858 -7.803 1.00 0.00 O ATOM 208 CB ILE A 38 -2.114 2.621 -7.062 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.007 1.727 -6.196 1.00 0.00 C ATOM 210 CG2 ILE A 38 -0.912 3.113 -6.268 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.309 0.486 -5.684 1.00 0.00 C ATOM 0 H ILE A 38 -3.987 2.346 -8.680 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.399 4.336 -6.786 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.745 2.033 -7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.371 2.305 -5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.880 1.429 -6.776 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.353 2.258 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.268 3.709 -6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.253 3.724 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.002 -0.098 -5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.969 -0.114 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.452 0.775 -5.076 1.00 0.00 H new ATOM 223 N GLU A 39 -1.515 4.403 -9.506 1.00 0.00 N ATOM 224 CA GLU A 39 -0.608 5.256 -10.271 1.00 0.00 C ATOM 225 C GLU A 39 -1.251 6.608 -10.559 1.00 0.00 C ATOM 226 O GLU A 39 -0.615 7.653 -10.417 1.00 0.00 O ATOM 227 CB GLU A 39 -0.210 4.577 -11.583 1.00 0.00 C ATOM 228 CG GLU A 39 0.530 3.262 -11.390 1.00 0.00 C ATOM 229 CD GLU A 39 0.886 2.593 -12.704 1.00 0.00 C ATOM 230 OE1 GLU A 39 0.558 3.159 -13.768 1.00 0.00 O ATOM 231 OE2 GLU A 39 1.490 1.500 -12.668 1.00 0.00 O ATOM 0 H GLU A 39 -1.743 3.516 -9.956 1.00 0.00 H new ATOM 0 HA GLU A 39 0.288 5.417 -9.672 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.107 4.396 -12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.419 5.257 -12.158 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.441 3.443 -10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.087 2.586 -10.798 1.00 0.00 H new ATOM 238 N GLY A 40 -2.516 6.579 -10.965 1.00 0.00 N ATOM 239 CA GLY A 40 -3.231 7.804 -11.269 1.00 0.00 C ATOM 240 C GLY A 40 -3.455 8.671 -10.043 1.00 0.00 C ATOM 241 O GLY A 40 -3.413 9.898 -10.129 1.00 0.00 O ATOM 0 H GLY A 40 -3.060 5.725 -11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.672 8.371 -12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.194 7.557 -11.715 1.00 0.00 H new ATOM 245 N ALA A 41 -3.706 8.030 -8.905 1.00 0.00 N ATOM 246 CA ALA A 41 -3.952 8.749 -7.658 1.00 0.00 C ATOM 247 C ALA A 41 -2.819 9.717 -7.336 1.00 0.00 C ATOM 248 O ALA A 41 -3.025 10.929 -7.277 1.00 0.00 O ATOM 249 CB ALA A 41 -4.138 7.763 -6.514 1.00 0.00 C ATOM 0 H ALA A 41 -3.744 7.014 -8.820 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.864 9.333 -7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.321 8.309 -5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.988 7.115 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.238 7.157 -6.406 1.00 0.00 H new ATOM 255 N THR A 42 -1.623 9.176 -7.127 1.00 0.00 N ATOM 256 CA THR A 42 -0.460 9.996 -6.807 1.00 0.00 C ATOM 257 C THR A 42 0.293 10.408 -8.067 1.00 0.00 C ATOM 258 O THR A 42 0.315 11.582 -8.436 1.00 0.00 O ATOM 259 CB THR A 42 0.503 9.249 -5.863 1.00 0.00 C ATOM 260 OG1 THR A 42 0.890 7.998 -6.445 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.149 9.003 -4.511 1.00 0.00 C ATOM 0 H THR A 42 -1.434 8.175 -7.173 1.00 0.00 H new ATOM 0 HA THR A 42 -0.830 10.891 -6.307 1.00 0.00 H new ATOM 0 HB THR A 42 1.387 9.870 -5.717 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.503 7.531 -5.839 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.549 8.475 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.416 9.957 -4.057 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.048 8.401 -4.645 1.00 0.00 H new ATOM 269 N GLY A 43 0.917 9.431 -8.714 1.00 0.00 N ATOM 270 CA GLY A 43 1.677 9.693 -9.920 1.00 0.00 C ATOM 271 C GLY A 43 2.691 8.601 -10.172 1.00 0.00 C ATOM 272 O GLY A 43 3.127 8.384 -11.302 1.00 0.00 O ATOM 0 H GLY A 43 0.909 8.454 -8.421 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.000 9.768 -10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.186 10.653 -9.832 1.00 0.00 H new ATOM 276 N ARG A 44 3.064 7.919 -9.095 1.00 0.00 N ATOM 277 CA ARG A 44 4.036 6.837 -9.152 1.00 0.00 C ATOM 278 C ARG A 44 3.653 5.795 -10.195 1.00 0.00 C ATOM 279 O ARG A 44 2.510 5.343 -10.245 1.00 0.00 O ATOM 280 CB ARG A 44 4.136 6.159 -7.789 1.00 0.00 C ATOM 281 CG ARG A 44 4.415 7.114 -6.642 1.00 0.00 C ATOM 282 CD ARG A 44 5.736 7.832 -6.828 1.00 0.00 C ATOM 283 NE ARG A 44 6.819 6.913 -7.172 1.00 0.00 N ATOM 284 CZ ARG A 44 8.073 7.298 -7.390 1.00 0.00 C ATOM 285 NH1 ARG A 44 8.402 8.579 -7.300 1.00 0.00 N ATOM 286 NH2 ARG A 44 8.999 6.401 -7.697 1.00 0.00 N ATOM 0 H ARG A 44 2.701 8.101 -8.159 1.00 0.00 H new ATOM 0 HA ARG A 44 4.996 7.270 -9.431 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.204 5.630 -7.589 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.927 5.410 -7.825 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.609 7.845 -6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.429 6.562 -5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.633 8.581 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.991 8.364 -5.912 1.00 0.00 H new ATOM 0 HE ARG A 44 6.601 5.920 -7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.692 9.272 -7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.365 8.871 -7.468 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.750 5.414 -7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.961 6.697 -7.864 1.00 0.00 H new ATOM 300 N ARG A 45 4.623 5.408 -11.014 1.00 0.00 N ATOM 301 CA ARG A 45 4.395 4.407 -12.042 1.00 0.00 C ATOM 302 C ARG A 45 4.941 3.054 -11.596 1.00 0.00 C ATOM 303 O ARG A 45 6.140 2.909 -11.357 1.00 0.00 O ATOM 304 CB ARG A 45 5.069 4.838 -13.344 1.00 0.00 C ATOM 305 CG ARG A 45 4.608 6.196 -13.847 1.00 0.00 C ATOM 306 CD ARG A 45 3.139 6.181 -14.236 1.00 0.00 C ATOM 307 NE ARG A 45 2.867 5.232 -15.313 1.00 0.00 N ATOM 308 CZ ARG A 45 1.661 5.038 -15.838 1.00 0.00 C ATOM 309 NH1 ARG A 45 0.619 5.723 -15.385 1.00 0.00 N ATOM 310 NH2 ARG A 45 1.496 4.158 -16.816 1.00 0.00 N ATOM 0 H ARG A 45 5.575 5.774 -10.984 1.00 0.00 H new ATOM 0 HA ARG A 45 3.322 4.312 -12.208 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.148 4.863 -13.194 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.871 4.089 -14.111 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.772 6.946 -13.073 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.210 6.489 -14.707 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.536 5.923 -13.365 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.837 7.180 -14.549 1.00 0.00 H new ATOM 0 HE ARG A 45 3.646 4.688 -15.683 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.742 6.400 -14.632 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.305 5.572 -15.789 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.295 3.629 -17.166 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.570 4.010 -17.218 1.00 0.00 H new ATOM 324 N ILE A 46 4.060 2.063 -11.493 1.00 0.00 N ATOM 325 CA ILE A 46 4.465 0.721 -11.087 1.00 0.00 C ATOM 326 C ILE A 46 5.076 -0.026 -12.277 1.00 0.00 C ATOM 327 O ILE A 46 4.715 -1.165 -12.572 1.00 0.00 O ATOM 328 CB ILE A 46 3.270 -0.083 -10.522 1.00 0.00 C ATOM 329 CG1 ILE A 46 2.586 0.697 -9.394 1.00 0.00 C ATOM 330 CG2 ILE A 46 3.731 -1.443 -10.013 1.00 0.00 C ATOM 331 CD1 ILE A 46 1.325 0.038 -8.879 1.00 0.00 C ATOM 0 H ILE A 46 3.063 2.164 -11.685 1.00 0.00 H new ATOM 0 HA ILE A 46 5.210 0.821 -10.298 1.00 0.00 H new ATOM 0 HB ILE A 46 2.552 -0.238 -11.327 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.287 0.815 -8.568 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.343 1.698 -9.751 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.876 -1.993 -9.620 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.179 -2.005 -10.832 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.468 -1.305 -9.222 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.896 0.646 -8.083 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.605 -0.056 -9.692 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.564 -0.952 -8.491 1.00 0.00 H new ATOM 343 N GLY A 47 5.994 0.641 -12.974 1.00 0.00 N ATOM 344 CA GLY A 47 6.631 0.046 -14.135 1.00 0.00 C ATOM 345 C GLY A 47 7.381 -1.232 -13.817 1.00 0.00 C ATOM 346 O GLY A 47 7.265 -2.221 -14.541 1.00 0.00 O ATOM 0 H GLY A 47 6.308 1.586 -12.753 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.873 -0.164 -14.889 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.323 0.767 -14.571 1.00 0.00 H new ATOM 350 N ASP A 48 8.160 -1.212 -12.739 1.00 0.00 N ATOM 351 CA ASP A 48 8.935 -2.381 -12.337 1.00 0.00 C ATOM 352 C ASP A 48 8.021 -3.528 -11.907 1.00 0.00 C ATOM 353 O ASP A 48 6.904 -3.665 -12.408 1.00 0.00 O ATOM 354 CB ASP A 48 9.888 -2.013 -11.197 1.00 0.00 C ATOM 355 CG ASP A 48 10.865 -0.922 -11.590 1.00 0.00 C ATOM 356 OD1 ASP A 48 11.641 -1.137 -12.545 1.00 0.00 O ATOM 357 OD2 ASP A 48 10.855 0.146 -10.942 1.00 0.00 O ATOM 0 H ASP A 48 8.271 -0.401 -12.130 1.00 0.00 H new ATOM 0 HA ASP A 48 9.516 -2.715 -13.197 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.308 -1.684 -10.334 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.442 -2.900 -10.890 1.00 0.00 H new ATOM 362 N ASN A 49 8.497 -4.348 -10.974 1.00 0.00 N ATOM 363 CA ASN A 49 7.718 -5.476 -10.480 1.00 0.00 C ATOM 364 C ASN A 49 6.482 -4.983 -9.734 1.00 0.00 C ATOM 365 O ASN A 49 6.549 -4.015 -8.975 1.00 0.00 O ATOM 366 CB ASN A 49 8.575 -6.351 -9.563 1.00 0.00 C ATOM 367 CG ASN A 49 7.892 -7.648 -9.162 1.00 0.00 C ATOM 368 OD1 ASN A 49 6.747 -7.940 -9.771 1.00 0.00 O flip ATOM 369 ND2 ASN A 49 8.400 -8.391 -8.323 1.00 0.00 N flip ATOM 0 H ASN A 49 9.418 -4.251 -10.546 1.00 0.00 H new ATOM 0 HA ASN A 49 7.394 -6.074 -11.332 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.514 -6.583 -10.066 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.826 -5.787 -8.664 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.280 -8.131 -7.878 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.941 -9.267 -8.073 1.00 0.00 H new ATOM 376 N PHE A 50 5.355 -5.645 -9.964 1.00 0.00 N ATOM 377 CA PHE A 50 4.100 -5.271 -9.325 1.00 0.00 C ATOM 378 C PHE A 50 4.212 -5.318 -7.801 1.00 0.00 C ATOM 379 O PHE A 50 3.598 -4.514 -7.103 1.00 0.00 O ATOM 380 CB PHE A 50 2.974 -6.196 -9.795 1.00 0.00 C ATOM 381 CG PHE A 50 1.598 -5.713 -9.427 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.186 -4.433 -9.767 1.00 0.00 C ATOM 383 CD2 PHE A 50 0.717 -6.539 -8.750 1.00 0.00 C ATOM 384 CE1 PHE A 50 -0.079 -3.987 -9.437 1.00 0.00 C ATOM 385 CE2 PHE A 50 -0.551 -6.098 -8.417 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.949 -4.821 -8.761 1.00 0.00 C ATOM 0 H PHE A 50 5.285 -6.447 -10.591 1.00 0.00 H new ATOM 0 HA PHE A 50 3.871 -4.245 -9.614 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.033 -6.304 -10.878 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.128 -7.187 -9.367 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.862 -3.777 -10.296 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.023 -7.539 -8.479 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.388 -2.988 -9.707 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.229 -6.752 -7.889 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.939 -4.475 -8.502 1.00 0.00 H new ATOM 396 N MET A 51 4.986 -6.270 -7.289 1.00 0.00 N ATOM 397 CA MET A 51 5.158 -6.418 -5.844 1.00 0.00 C ATOM 398 C MET A 51 6.417 -5.712 -5.358 1.00 0.00 C ATOM 399 O MET A 51 6.371 -4.898 -4.436 1.00 0.00 O ATOM 400 CB MET A 51 5.232 -7.898 -5.476 1.00 0.00 C ATOM 401 CG MET A 51 4.151 -8.724 -6.129 1.00 0.00 C ATOM 402 SD MET A 51 2.499 -8.166 -5.676 1.00 0.00 S ATOM 403 CE MET A 51 1.498 -9.350 -6.562 1.00 0.00 C ATOM 0 H MET A 51 5.503 -6.949 -7.848 1.00 0.00 H new ATOM 0 HA MET A 51 4.297 -5.958 -5.358 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.207 -8.290 -5.767 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.156 -8.002 -4.394 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.264 -8.676 -7.212 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.271 -9.769 -5.842 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.535 -9.459 -6.062 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.340 -9.001 -7.583 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.007 -10.314 -6.583 1.00 0.00 H new ATOM 413 N ASP A 52 7.541 -6.043 -5.982 1.00 0.00 N ATOM 414 CA ASP A 52 8.829 -5.456 -5.615 1.00 0.00 C ATOM 415 C ASP A 52 8.765 -3.930 -5.614 1.00 0.00 C ATOM 416 O ASP A 52 9.417 -3.272 -4.802 1.00 0.00 O ATOM 417 CB ASP A 52 9.926 -5.931 -6.570 1.00 0.00 C ATOM 418 CG ASP A 52 11.286 -5.356 -6.226 1.00 0.00 C ATOM 419 OD1 ASP A 52 11.781 -5.626 -5.112 1.00 0.00 O ATOM 420 OD2 ASP A 52 11.857 -4.635 -7.072 1.00 0.00 O ATOM 0 H ASP A 52 7.589 -6.716 -6.747 1.00 0.00 H new ATOM 0 HA ASP A 52 9.067 -5.788 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.979 -7.019 -6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.663 -5.648 -7.589 1.00 0.00 H new ATOM 425 N GLY A 53 7.982 -3.369 -6.527 1.00 0.00 N ATOM 426 CA GLY A 53 7.856 -1.924 -6.604 1.00 0.00 C ATOM 427 C GLY A 53 7.097 -1.341 -5.426 1.00 0.00 C ATOM 428 O GLY A 53 7.529 -0.361 -4.824 1.00 0.00 O ATOM 0 H GLY A 53 7.433 -3.886 -7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.850 -1.478 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.345 -1.656 -7.529 1.00 0.00 H new ATOM 432 N LEU A 54 5.955 -1.946 -5.108 1.00 0.00 N ATOM 433 CA LEU A 54 5.109 -1.494 -4.007 1.00 0.00 C ATOM 434 C LEU A 54 5.812 -1.612 -2.654 1.00 0.00 C ATOM 435 O LEU A 54 5.342 -1.064 -1.656 1.00 0.00 O ATOM 436 CB LEU A 54 3.816 -2.312 -3.994 1.00 0.00 C ATOM 437 CG LEU A 54 2.800 -1.983 -5.098 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.920 -0.814 -4.688 1.00 0.00 C ATOM 439 CD2 LEU A 54 3.482 -1.696 -6.428 1.00 0.00 C ATOM 0 H LEU A 54 5.591 -2.760 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 54 4.887 -0.439 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.077 -3.368 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.331 -2.172 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 54 2.172 -2.863 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.208 -0.598 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.379 -1.068 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.541 0.064 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.728 -1.468 -7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.153 -0.844 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.054 -2.570 -6.740 1.00 0.00 H new ATOM 451 N LYS A 55 6.923 -2.343 -2.620 1.00 0.00 N ATOM 452 CA LYS A 55 7.674 -2.543 -1.381 1.00 0.00 C ATOM 453 C LYS A 55 7.947 -1.224 -0.660 1.00 0.00 C ATOM 454 O LYS A 55 7.851 -1.151 0.565 1.00 0.00 O ATOM 455 CB LYS A 55 8.996 -3.255 -1.667 1.00 0.00 C ATOM 456 CG LYS A 55 8.826 -4.608 -2.335 1.00 0.00 C ATOM 457 CD LYS A 55 10.168 -5.272 -2.596 1.00 0.00 C ATOM 458 CE LYS A 55 10.822 -5.731 -1.308 1.00 0.00 C ATOM 459 NZ LYS A 55 12.171 -6.313 -1.544 1.00 0.00 N ATOM 0 H LYS A 55 7.324 -2.807 -3.435 1.00 0.00 H new ATOM 0 HA LYS A 55 7.059 -3.163 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.611 -2.619 -2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.538 -3.387 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.216 -5.253 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.290 -4.486 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.029 -6.126 -3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.827 -4.573 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.906 -4.887 -0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.187 -6.473 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.823 -5.992 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.109 -7.351 -1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.525 -6.004 -2.472 1.00 0.00 H new ATOM 473 N ASP A 56 8.293 -0.188 -1.418 1.00 0.00 N ATOM 474 CA ASP A 56 8.582 1.120 -0.833 1.00 0.00 C ATOM 475 C ASP A 56 7.428 1.584 0.048 1.00 0.00 C ATOM 476 O ASP A 56 7.639 2.188 1.100 1.00 0.00 O ATOM 477 CB ASP A 56 8.848 2.155 -1.928 1.00 0.00 C ATOM 478 CG ASP A 56 7.603 2.488 -2.727 1.00 0.00 C ATOM 479 OD1 ASP A 56 7.000 1.561 -3.303 1.00 0.00 O ATOM 480 OD2 ASP A 56 7.231 3.680 -2.774 1.00 0.00 O ATOM 0 H ASP A 56 8.380 -0.226 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 56 9.476 1.022 -0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.240 3.066 -1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.618 1.777 -2.601 1.00 0.00 H new ATOM 485 N GLY A 57 6.208 1.295 -0.391 1.00 0.00 N ATOM 486 CA GLY A 57 5.032 1.687 0.363 1.00 0.00 C ATOM 487 C GLY A 57 4.665 3.142 0.156 1.00 0.00 C ATOM 488 O GLY A 57 3.489 3.472 0.051 1.00 0.00 O ATOM 0 H GLY A 57 6.012 0.795 -1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.191 1.059 0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.209 1.508 1.424 1.00 0.00 H new ATOM 492 N VAL A 58 5.676 4.006 0.100 1.00 0.00 N ATOM 493 CA VAL A 58 5.474 5.440 -0.095 1.00 0.00 C ATOM 494 C VAL A 58 4.296 5.721 -1.017 1.00 0.00 C ATOM 495 O VAL A 58 3.486 6.604 -0.749 1.00 0.00 O ATOM 496 CB VAL A 58 6.728 6.092 -0.706 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.531 7.592 -0.867 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.953 5.797 0.146 1.00 0.00 C ATOM 0 H VAL A 58 6.655 3.733 0.188 1.00 0.00 H new ATOM 0 HA VAL A 58 5.272 5.863 0.889 1.00 0.00 H new ATOM 0 HB VAL A 58 6.889 5.664 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.429 8.032 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.682 7.779 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.341 8.041 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.829 6.266 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.802 6.194 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.107 4.719 0.201 1.00 0.00 H new ATOM 508 N ILE A 59 4.212 4.969 -2.107 1.00 0.00 N ATOM 509 CA ILE A 59 3.136 5.145 -3.072 1.00 0.00 C ATOM 510 C ILE A 59 1.780 4.856 -2.439 1.00 0.00 C ATOM 511 O ILE A 59 0.868 5.679 -2.502 1.00 0.00 O ATOM 512 CB ILE A 59 3.327 4.225 -4.294 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.760 4.336 -4.816 1.00 0.00 C ATOM 514 CG2 ILE A 59 2.322 4.572 -5.384 1.00 0.00 C ATOM 515 CD1 ILE A 59 5.036 3.510 -6.057 1.00 0.00 C ATOM 0 H ILE A 59 4.876 4.232 -2.344 1.00 0.00 H new ATOM 0 HA ILE A 59 3.167 6.184 -3.399 1.00 0.00 H new ATOM 0 HB ILE A 59 3.151 3.193 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.975 5.382 -5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.447 4.027 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.471 3.913 -6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.310 4.445 -5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.465 5.607 -5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.074 3.646 -6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.856 2.457 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.377 3.833 -6.863 1.00 0.00 H new ATOM 527 N LEU A 60 1.658 3.686 -1.818 1.00 0.00 N ATOM 528 CA LEU A 60 0.416 3.300 -1.164 1.00 0.00 C ATOM 529 C LEU A 60 0.106 4.256 -0.021 1.00 0.00 C ATOM 530 O LEU A 60 -1.023 4.722 0.123 1.00 0.00 O ATOM 531 CB LEU A 60 0.504 1.860 -0.656 1.00 0.00 C ATOM 532 CG LEU A 60 0.681 0.806 -1.751 1.00 0.00 C ATOM 533 CD1 LEU A 60 0.756 -0.587 -1.145 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.452 0.891 -2.764 1.00 0.00 C ATOM 0 H LEU A 60 2.403 2.992 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.395 3.355 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.339 1.785 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.401 1.631 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 60 1.619 1.004 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.882 -1.323 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.604 -0.642 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.164 -0.796 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.309 0.134 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.404 0.721 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.456 1.880 -3.223 1.00 0.00 H new ATOM 546 N CYS A 61 1.128 4.567 0.772 1.00 0.00 N ATOM 547 CA CYS A 61 0.981 5.496 1.880 1.00 0.00 C ATOM 548 C CYS A 61 0.431 6.818 1.362 1.00 0.00 C ATOM 549 O CYS A 61 -0.507 7.382 1.921 1.00 0.00 O ATOM 550 CB CYS A 61 2.334 5.711 2.572 1.00 0.00 C ATOM 551 SG CYS A 61 2.451 7.257 3.500 1.00 0.00 S ATOM 0 H CYS A 61 2.068 4.186 0.664 1.00 0.00 H new ATOM 0 HA CYS A 61 0.285 5.083 2.610 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.520 4.878 3.250 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.122 5.691 1.819 1.00 0.00 H new ATOM 0 HG CYS A 61 1.257 7.710 3.741 1.00 0.00 H new ATOM 557 N GLU A 62 1.015 7.286 0.267 1.00 0.00 N ATOM 558 CA GLU A 62 0.599 8.516 -0.373 1.00 0.00 C ATOM 559 C GLU A 62 -0.843 8.418 -0.870 1.00 0.00 C ATOM 560 O GLU A 62 -1.574 9.407 -0.887 1.00 0.00 O ATOM 561 CB GLU A 62 1.550 8.801 -1.529 1.00 0.00 C ATOM 562 CG GLU A 62 2.857 9.435 -1.086 1.00 0.00 C ATOM 563 CD GLU A 62 2.702 10.892 -0.695 1.00 0.00 C ATOM 564 OE1 GLU A 62 1.570 11.412 -0.773 1.00 0.00 O ATOM 565 OE2 GLU A 62 3.715 11.514 -0.311 1.00 0.00 O ATOM 0 H GLU A 62 1.792 6.818 -0.200 1.00 0.00 H new ATOM 0 HA GLU A 62 0.635 9.333 0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.765 7.869 -2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.057 9.461 -2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.257 8.877 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.586 9.356 -1.893 1.00 0.00 H new ATOM 572 N LEU A 63 -1.237 7.215 -1.281 1.00 0.00 N ATOM 573 CA LEU A 63 -2.582 6.974 -1.790 1.00 0.00 C ATOM 574 C LEU A 63 -3.639 7.051 -0.687 1.00 0.00 C ATOM 575 O LEU A 63 -4.630 7.770 -0.819 1.00 0.00 O ATOM 576 CB LEU A 63 -2.639 5.605 -2.470 1.00 0.00 C ATOM 577 CG LEU A 63 -4.041 5.094 -2.792 1.00 0.00 C ATOM 578 CD1 LEU A 63 -4.780 6.074 -3.690 1.00 0.00 C ATOM 579 CD2 LEU A 63 -3.973 3.720 -3.438 1.00 0.00 C ATOM 0 H LEU A 63 -0.639 6.389 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.806 7.759 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.066 5.654 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.144 4.877 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.595 5.007 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.777 5.689 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.864 7.037 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.229 6.200 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.982 3.372 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.398 3.780 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.490 3.021 -2.756 1.00 0.00 H new ATOM 591 N ILE A 64 -3.436 6.297 0.392 1.00 0.00 N ATOM 592 CA ILE A 64 -4.390 6.279 1.497 1.00 0.00 C ATOM 593 C ILE A 64 -4.574 7.667 2.098 1.00 0.00 C ATOM 594 O ILE A 64 -5.687 8.059 2.439 1.00 0.00 O ATOM 595 CB ILE A 64 -3.969 5.291 2.603 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.035 5.219 3.693 1.00 0.00 C ATOM 597 CG2 ILE A 64 -2.624 5.681 3.194 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.363 4.672 3.213 1.00 0.00 C ATOM 0 H ILE A 64 -2.624 5.694 0.524 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.340 5.946 1.079 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.868 4.303 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.668 4.594 4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.190 6.217 4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.348 4.969 3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.866 5.674 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.692 6.680 3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.069 4.651 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.754 5.309 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.223 3.661 2.830 1.00 0.00 H new ATOM 610 N ASN A 65 -3.482 8.416 2.216 1.00 0.00 N ATOM 611 CA ASN A 65 -3.546 9.765 2.765 1.00 0.00 C ATOM 612 C ASN A 65 -4.577 10.601 2.012 1.00 0.00 C ATOM 613 O ASN A 65 -5.162 11.532 2.566 1.00 0.00 O ATOM 614 CB ASN A 65 -2.171 10.435 2.705 1.00 0.00 C ATOM 615 CG ASN A 65 -1.223 9.905 3.764 1.00 0.00 C ATOM 616 OD1 ASN A 65 -1.056 8.696 3.917 1.00 0.00 O ATOM 617 ND2 ASN A 65 -0.587 10.811 4.498 1.00 0.00 N ATOM 0 H ASN A 65 -2.548 8.114 1.940 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.852 9.696 3.809 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.735 10.276 1.719 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.288 11.511 2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.068 10.513 5.221 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.754 11.805 4.339 1.00 0.00 H new ATOM 624 N LYS A 66 -4.800 10.253 0.747 1.00 0.00 N ATOM 625 CA LYS A 66 -5.757 10.952 -0.085 1.00 0.00 C ATOM 626 C LYS A 66 -7.179 10.502 0.231 1.00 0.00 C ATOM 627 O LYS A 66 -8.060 11.320 0.494 1.00 0.00 O ATOM 628 CB LYS A 66 -5.446 10.682 -1.555 1.00 0.00 C ATOM 629 CG LYS A 66 -4.041 11.077 -1.997 1.00 0.00 C ATOM 630 CD LYS A 66 -3.784 12.574 -1.858 1.00 0.00 C ATOM 631 CE LYS A 66 -3.301 12.945 -0.464 1.00 0.00 C ATOM 632 NZ LYS A 66 -3.054 14.408 -0.334 1.00 0.00 N ATOM 0 H LYS A 66 -4.322 9.483 0.279 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.681 12.020 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.588 9.619 -1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.169 11.219 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.309 10.529 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.894 10.781 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.041 12.884 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.700 13.121 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.043 12.635 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.384 12.400 -0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.726 14.620 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.328 14.700 -1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.935 14.927 -0.522 1.00 0.00 H new ATOM 646 N LEU A 67 -7.390 9.189 0.198 1.00 0.00 N ATOM 647 CA LEU A 67 -8.702 8.616 0.475 1.00 0.00 C ATOM 648 C LEU A 67 -9.086 8.817 1.936 1.00 0.00 C ATOM 649 O LEU A 67 -10.088 9.463 2.240 1.00 0.00 O ATOM 650 CB LEU A 67 -8.702 7.123 0.136 1.00 0.00 C ATOM 651 CG LEU A 67 -8.268 6.784 -1.292 1.00 0.00 C ATOM 652 CD1 LEU A 67 -8.260 5.278 -1.502 1.00 0.00 C ATOM 653 CD2 LEU A 67 -9.179 7.460 -2.306 1.00 0.00 C ATOM 0 H LEU A 67 -6.668 8.502 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.437 9.127 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.041 6.608 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.705 6.729 0.298 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.255 7.159 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.949 5.055 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.564 4.817 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.261 4.882 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.853 7.206 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.204 7.118 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.134 8.541 -2.172 1.00 0.00 H new ATOM 665 N GLN A 68 -8.280 8.264 2.838 1.00 0.00 N ATOM 666 CA GLN A 68 -8.534 8.392 4.264 1.00 0.00 C ATOM 667 C GLN A 68 -7.667 9.498 4.868 1.00 0.00 C ATOM 668 O GLN A 68 -6.443 9.385 4.917 1.00 0.00 O ATOM 669 CB GLN A 68 -8.273 7.064 4.975 1.00 0.00 C ATOM 670 CG GLN A 68 -8.578 7.101 6.466 1.00 0.00 C ATOM 671 CD GLN A 68 -8.265 5.792 7.171 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.765 4.812 6.425 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -8.470 5.664 8.379 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.447 7.724 2.604 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.581 8.660 4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.878 6.286 4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.229 6.784 4.833 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.002 7.903 6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.631 7.341 6.609 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.855 6.441 8.916 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.255 4.781 8.842 1.00 0.00 H new ATOM 682 N PRO A 69 -8.302 10.589 5.321 1.00 0.00 N ATOM 683 CA PRO A 69 -7.606 11.736 5.911 1.00 0.00 C ATOM 684 C PRO A 69 -6.649 11.359 7.042 1.00 0.00 C ATOM 685 O PRO A 69 -7.028 10.673 7.992 1.00 0.00 O ATOM 686 CB PRO A 69 -8.748 12.587 6.466 1.00 0.00 C ATOM 687 CG PRO A 69 -9.928 12.238 5.642 1.00 0.00 C ATOM 688 CD PRO A 69 -9.757 10.798 5.266 1.00 0.00 C ATOM 0 HA PRO A 69 -6.978 12.234 5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.925 12.370 7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.518 13.650 6.394 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -10.852 12.389 6.200 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.985 12.869 4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.282 10.139 5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.153 10.595 4.271 1.00 0.00 H new ATOM 696 N GLY A 70 -5.413 11.845 6.939 1.00 0.00 N ATOM 697 CA GLY A 70 -4.406 11.596 7.961 1.00 0.00 C ATOM 698 C GLY A 70 -4.274 10.138 8.364 1.00 0.00 C ATOM 699 O GLY A 70 -4.288 9.820 9.553 1.00 0.00 O ATOM 0 H GLY A 70 -5.088 12.413 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.441 11.949 7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.649 12.185 8.845 1.00 0.00 H new ATOM 703 N SER A 71 -4.131 9.248 7.387 1.00 0.00 N ATOM 704 CA SER A 71 -3.981 7.826 7.679 1.00 0.00 C ATOM 705 C SER A 71 -2.577 7.524 8.192 1.00 0.00 C ATOM 706 O SER A 71 -2.400 7.066 9.320 1.00 0.00 O ATOM 707 CB SER A 71 -4.261 6.990 6.432 1.00 0.00 C ATOM 708 OG SER A 71 -5.578 7.200 5.966 1.00 0.00 O ATOM 0 H SER A 71 -4.116 9.483 6.395 1.00 0.00 H new ATOM 0 HA SER A 71 -4.703 7.566 8.453 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.549 7.249 5.649 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.116 5.934 6.658 1.00 0.00 H new ATOM 0 HG SER A 71 -5.580 7.924 5.306 1.00 0.00 H new ATOM 714 N VAL A 72 -1.584 7.788 7.350 1.00 0.00 N ATOM 715 CA VAL A 72 -0.190 7.552 7.706 1.00 0.00 C ATOM 716 C VAL A 72 0.372 8.724 8.505 1.00 0.00 C ATOM 717 O VAL A 72 0.109 9.884 8.187 1.00 0.00 O ATOM 718 CB VAL A 72 0.674 7.322 6.451 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.124 7.055 6.829 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.115 6.173 5.627 1.00 0.00 C ATOM 0 H VAL A 72 -1.720 8.167 6.413 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.159 6.653 8.322 1.00 0.00 H new ATOM 0 HB VAL A 72 0.646 8.229 5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.712 6.896 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.521 7.911 7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.178 6.167 7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.736 6.023 4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.111 5.263 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.904 6.408 5.318 1.00 0.00 H new ATOM 730 N GLN A 73 1.140 8.414 9.544 1.00 0.00 N ATOM 731 CA GLN A 73 1.734 9.444 10.391 1.00 0.00 C ATOM 732 C GLN A 73 2.517 10.451 9.555 1.00 0.00 C ATOM 733 O GLN A 73 2.385 11.661 9.741 1.00 0.00 O ATOM 734 CB GLN A 73 2.652 8.809 11.436 1.00 0.00 C ATOM 735 CG GLN A 73 1.938 7.835 12.362 1.00 0.00 C ATOM 736 CD GLN A 73 2.861 7.212 13.395 1.00 0.00 C ATOM 737 OE1 GLN A 73 4.138 7.583 13.363 1.00 0.00 O flip ATOM 738 NE2 GLN A 73 2.429 6.402 14.216 1.00 0.00 N flip ATOM 0 H GLN A 73 1.366 7.459 9.820 1.00 0.00 H new ATOM 0 HA GLN A 73 0.926 9.970 10.899 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.462 8.286 10.927 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.108 9.598 12.034 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.129 8.356 12.873 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.482 7.044 11.766 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.442 6.144 14.207 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.058 5.989 14.905 1.00 0.00 H new ATOM 747 N LYS A 74 3.328 9.942 8.632 1.00 0.00 N ATOM 748 CA LYS A 74 4.133 10.793 7.762 1.00 0.00 C ATOM 749 C LYS A 74 4.890 9.939 6.748 1.00 0.00 C ATOM 750 O LYS A 74 5.669 9.062 7.123 1.00 0.00 O ATOM 751 CB LYS A 74 5.109 11.627 8.603 1.00 0.00 C ATOM 752 CG LYS A 74 5.823 12.733 7.835 1.00 0.00 C ATOM 753 CD LYS A 74 6.935 12.192 6.951 1.00 0.00 C ATOM 754 CE LYS A 74 7.665 13.312 6.228 1.00 0.00 C ATOM 755 NZ LYS A 74 8.779 12.799 5.385 1.00 0.00 N ATOM 0 H LYS A 74 3.445 8.942 8.467 1.00 0.00 H new ATOM 0 HA LYS A 74 3.476 11.472 7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.562 12.074 9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.857 10.961 9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.101 13.270 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.239 13.452 8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.642 11.628 7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.517 11.498 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.960 13.860 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.059 14.019 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.196 13.584 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.507 12.373 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.414 12.081 4.727 1.00 0.00 H new ATOM 769 N VAL A 75 4.652 10.196 5.465 1.00 0.00 N ATOM 770 CA VAL A 75 5.311 9.445 4.403 1.00 0.00 C ATOM 771 C VAL A 75 6.801 9.767 4.337 1.00 0.00 C ATOM 772 O VAL A 75 7.193 10.930 4.255 1.00 0.00 O ATOM 773 CB VAL A 75 4.659 9.719 3.030 1.00 0.00 C ATOM 774 CG1 VAL A 75 4.562 11.211 2.760 1.00 0.00 C ATOM 775 CG2 VAL A 75 5.424 9.014 1.922 1.00 0.00 C ATOM 0 H VAL A 75 4.009 10.917 5.137 1.00 0.00 H new ATOM 0 HA VAL A 75 5.191 8.388 4.642 1.00 0.00 H new ATOM 0 HB VAL A 75 3.646 9.318 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.099 11.375 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.956 11.682 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.561 11.647 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.948 9.220 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.452 9.376 1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.421 7.939 2.105 1.00 0.00 H new ATOM 785 N ASN A 76 7.625 8.724 4.380 1.00 0.00 N ATOM 786 CA ASN A 76 9.074 8.885 4.335 1.00 0.00 C ATOM 787 C ASN A 76 9.649 8.321 3.040 1.00 0.00 C ATOM 788 O ASN A 76 9.173 7.306 2.530 1.00 0.00 O ATOM 789 CB ASN A 76 9.717 8.177 5.529 1.00 0.00 C ATOM 790 CG ASN A 76 9.076 8.561 6.847 1.00 0.00 C ATOM 791 OD1 ASN A 76 8.509 7.575 7.533 1.00 0.00 O flip ATOM 792 ND2 ASN A 76 9.086 9.726 7.241 1.00 0.00 N flip ATOM 0 H ASN A 76 7.312 7.755 4.446 1.00 0.00 H new ATOM 0 HA ASN A 76 9.296 9.951 4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.640 7.098 5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 76 10.779 8.419 5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.534 10.450 6.680 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.646 9.968 8.129 1.00 0.00 H new ATOM 799 N ASP A 77 10.682 8.977 2.518 1.00 0.00 N ATOM 800 CA ASP A 77 11.329 8.528 1.289 1.00 0.00 C ATOM 801 C ASP A 77 11.806 7.085 1.436 1.00 0.00 C ATOM 802 O ASP A 77 12.273 6.689 2.504 1.00 0.00 O ATOM 803 CB ASP A 77 12.509 9.439 0.945 1.00 0.00 C ATOM 804 CG ASP A 77 12.086 10.880 0.734 1.00 0.00 C ATOM 805 OD1 ASP A 77 11.263 11.130 -0.171 1.00 0.00 O ATOM 806 OD2 ASP A 77 12.577 11.757 1.476 1.00 0.00 O ATOM 0 H ASP A 77 11.088 9.819 2.926 1.00 0.00 H new ATOM 0 HA ASP A 77 10.602 8.576 0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.245 9.393 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.997 9.071 0.043 1.00 0.00 H new ATOM 811 N PRO A 78 11.684 6.272 0.372 1.00 0.00 N ATOM 812 CA PRO A 78 12.097 4.863 0.402 1.00 0.00 C ATOM 813 C PRO A 78 13.614 4.681 0.385 1.00 0.00 C ATOM 814 O PRO A 78 14.125 3.753 -0.242 1.00 0.00 O ATOM 815 CB PRO A 78 11.477 4.298 -0.878 1.00 0.00 C ATOM 816 CG PRO A 78 11.415 5.460 -1.804 1.00 0.00 C ATOM 817 CD PRO A 78 11.123 6.654 -0.939 1.00 0.00 C ATOM 0 HA PRO A 78 11.774 4.366 1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.084 3.493 -1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.485 3.886 -0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.356 5.585 -2.339 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.637 5.321 -2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.592 7.557 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.053 6.852 -0.876 1.00 0.00 H new ATOM 825 N VAL A 79 14.329 5.561 1.079 1.00 0.00 N ATOM 826 CA VAL A 79 15.785 5.479 1.142 1.00 0.00 C ATOM 827 C VAL A 79 16.229 4.445 2.171 1.00 0.00 C ATOM 828 O VAL A 79 16.928 3.486 1.844 1.00 0.00 O ATOM 829 CB VAL A 79 16.410 6.843 1.495 1.00 0.00 C ATOM 830 CG1 VAL A 79 17.929 6.749 1.514 1.00 0.00 C ATOM 831 CG2 VAL A 79 15.946 7.914 0.520 1.00 0.00 C ATOM 0 H VAL A 79 13.926 6.337 1.604 1.00 0.00 H new ATOM 0 HA VAL A 79 16.131 5.177 0.153 1.00 0.00 H new ATOM 0 HB VAL A 79 16.075 7.125 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.351 7.722 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.239 6.016 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.287 6.441 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 79 16.398 8.869 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 79 16.246 7.640 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.860 8.001 0.565 1.00 0.00 H new ATOM 841 N GLN A 80 15.814 4.648 3.418 1.00 0.00 N ATOM 842 CA GLN A 80 16.159 3.737 4.504 1.00 0.00 C ATOM 843 C GLN A 80 15.201 2.551 4.546 1.00 0.00 C ATOM 844 O GLN A 80 14.020 2.684 4.229 1.00 0.00 O ATOM 845 CB GLN A 80 16.144 4.474 5.845 1.00 0.00 C ATOM 846 CG GLN A 80 17.154 5.608 5.930 1.00 0.00 C ATOM 847 CD GLN A 80 18.589 5.130 5.806 1.00 0.00 C ATOM 848 OE1 GLN A 80 18.983 4.563 4.787 1.00 0.00 O ATOM 849 NE2 GLN A 80 19.379 5.359 6.847 1.00 0.00 N ATOM 0 H GLN A 80 15.236 5.439 3.702 1.00 0.00 H new ATOM 0 HA GLN A 80 17.165 3.359 4.321 1.00 0.00 H new ATOM 0 HB2 GLN A 80 15.145 4.875 6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 80 16.344 3.760 6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 80 16.948 6.332 5.141 1.00 0.00 H new ATOM 0 HG3 GLN A 80 17.030 6.128 6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 80 19.011 5.833 7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 80 20.354 5.062 6.822 1.00 0.00 H new ATOM 858 N ASN A 81 15.720 1.390 4.935 1.00 0.00 N ATOM 859 CA ASN A 81 14.911 0.178 5.015 1.00 0.00 C ATOM 860 C ASN A 81 13.717 0.368 5.947 1.00 0.00 C ATOM 861 O ASN A 81 12.608 -0.072 5.642 1.00 0.00 O ATOM 862 CB ASN A 81 15.762 -1.005 5.481 1.00 0.00 C ATOM 863 CG ASN A 81 16.460 -0.745 6.803 1.00 0.00 C ATOM 864 OD1 ASN A 81 15.815 -0.562 7.836 1.00 0.00 O ATOM 865 ND2 ASN A 81 17.787 -0.726 6.777 1.00 0.00 N ATOM 0 H ASN A 81 16.697 1.263 5.200 1.00 0.00 H new ATOM 0 HA ASN A 81 14.530 -0.033 4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 81 15.128 -1.886 5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 81 16.509 -1.231 4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.312 -0.555 7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.282 -0.883 5.899 1.00 0.00 H new ATOM 872 N TRP A 82 13.946 1.016 7.085 1.00 0.00 N ATOM 873 CA TRP A 82 12.880 1.247 8.053 1.00 0.00 C ATOM 874 C TRP A 82 11.844 2.231 7.515 1.00 0.00 C ATOM 875 O TRP A 82 10.680 2.192 7.915 1.00 0.00 O ATOM 876 CB TRP A 82 13.451 1.718 9.397 1.00 0.00 C ATOM 877 CG TRP A 82 14.293 2.954 9.322 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.609 3.028 8.965 1.00 0.00 C ATOM 879 CD2 TRP A 82 13.893 4.288 9.657 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.046 4.328 9.037 1.00 0.00 N ATOM 881 CE2 TRP A 82 15.011 5.121 9.461 1.00 0.00 C ATOM 882 CE3 TRP A 82 12.695 4.862 10.094 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.968 6.495 9.691 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.653 6.224 10.322 1.00 0.00 C ATOM 885 CH2 TRP A 82 13.783 7.027 10.120 1.00 0.00 C ATOM 0 H TRP A 82 14.855 1.389 7.358 1.00 0.00 H new ATOM 0 HA TRP A 82 12.372 0.297 8.221 1.00 0.00 H new ATOM 0 HB2 TRP A 82 12.624 1.900 10.084 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.049 0.913 9.824 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.218 2.186 8.669 1.00 0.00 H new ATOM 0 HE1 TRP A 82 16.987 4.651 8.812 1.00 0.00 H new ATOM 0 HE3 TRP A 82 11.818 4.251 10.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 15.838 7.116 9.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 11.733 6.677 10.662 1.00 0.00 H new ATOM 0 HH2 TRP A 82 13.717 8.089 10.307 1.00 0.00 H new ATOM 896 N HIS A 83 12.260 3.098 6.594 1.00 0.00 N ATOM 897 CA HIS A 83 11.344 4.070 5.998 1.00 0.00 C ATOM 898 C HIS A 83 10.163 3.360 5.344 1.00 0.00 C ATOM 899 O HIS A 83 9.007 3.684 5.611 1.00 0.00 O ATOM 900 CB HIS A 83 12.067 4.931 4.958 1.00 0.00 C ATOM 901 CG HIS A 83 12.967 5.972 5.547 1.00 0.00 C ATOM 902 ND1 HIS A 83 13.756 6.805 4.781 1.00 0.00 N ATOM 903 CD2 HIS A 83 13.190 6.330 6.833 1.00 0.00 C ATOM 904 CE1 HIS A 83 14.424 7.627 5.570 1.00 0.00 C ATOM 905 NE2 HIS A 83 14.097 7.360 6.819 1.00 0.00 N ATOM 0 H HIS A 83 13.217 3.148 6.246 1.00 0.00 H new ATOM 0 HA HIS A 83 10.975 4.716 6.795 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.655 4.282 4.310 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.325 5.422 4.328 1.00 0.00 H new ATOM 0 HD1 HIS A 83 13.814 6.789 3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.738 5.887 7.708 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.119 8.388 5.247 1.00 0.00 H new ATOM 914 N LYS A 84 10.465 2.384 4.491 1.00 0.00 N ATOM 915 CA LYS A 84 9.429 1.620 3.805 1.00 0.00 C ATOM 916 C LYS A 84 8.551 0.889 4.813 1.00 0.00 C ATOM 917 O LYS A 84 7.327 0.884 4.698 1.00 0.00 O ATOM 918 CB LYS A 84 10.060 0.611 2.842 1.00 0.00 C ATOM 919 CG LYS A 84 10.936 1.244 1.773 1.00 0.00 C ATOM 920 CD LYS A 84 11.569 0.190 0.881 1.00 0.00 C ATOM 921 CE LYS A 84 12.451 0.819 -0.186 1.00 0.00 C ATOM 922 NZ LYS A 84 13.077 -0.206 -1.066 1.00 0.00 N ATOM 0 H LYS A 84 11.418 2.105 4.259 1.00 0.00 H new ATOM 0 HA LYS A 84 8.812 2.315 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.658 -0.098 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.267 0.041 2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.339 1.925 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.717 1.840 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.162 -0.493 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.788 -0.403 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.856 1.503 -0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.231 1.412 0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.670 0.264 -1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.665 -0.843 -0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.333 -0.756 -1.542 1.00 0.00 H new ATOM 936 N LEU A 85 9.193 0.276 5.800 1.00 0.00 N ATOM 937 CA LEU A 85 8.492 -0.464 6.839 1.00 0.00 C ATOM 938 C LEU A 85 7.472 0.417 7.555 1.00 0.00 C ATOM 939 O LEU A 85 6.405 -0.049 7.953 1.00 0.00 O ATOM 940 CB LEU A 85 9.504 -1.015 7.843 1.00 0.00 C ATOM 941 CG LEU A 85 10.552 -1.960 7.250 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.592 -2.331 8.296 1.00 0.00 C ATOM 943 CD2 LEU A 85 9.886 -3.210 6.695 1.00 0.00 C ATOM 0 H LEU A 85 10.208 0.278 5.902 1.00 0.00 H new ATOM 0 HA LEU A 85 7.952 -1.287 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.017 -0.178 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.964 -1.543 8.629 1.00 0.00 H new ATOM 0 HG LEU A 85 11.057 -1.444 6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.328 -3.003 7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.091 -1.428 8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.104 -2.828 9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.645 -3.872 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.356 -3.726 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.179 -2.929 5.914 1.00 0.00 H new ATOM 955 N GLU A 86 7.810 1.691 7.714 1.00 0.00 N ATOM 956 CA GLU A 86 6.930 2.641 8.384 1.00 0.00 C ATOM 957 C GLU A 86 5.728 2.977 7.508 1.00 0.00 C ATOM 958 O GLU A 86 4.588 2.950 7.968 1.00 0.00 O ATOM 959 CB GLU A 86 7.700 3.916 8.740 1.00 0.00 C ATOM 960 CG GLU A 86 6.853 4.972 9.427 1.00 0.00 C ATOM 961 CD GLU A 86 7.670 6.150 9.919 1.00 0.00 C ATOM 962 OE1 GLU A 86 8.908 6.126 9.756 1.00 0.00 O ATOM 963 OE2 GLU A 86 7.072 7.097 10.473 1.00 0.00 O ATOM 0 H GLU A 86 8.690 2.091 7.387 1.00 0.00 H new ATOM 0 HA GLU A 86 6.566 2.181 9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.536 3.655 9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.124 4.339 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.091 5.328 8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.330 4.520 10.270 1.00 0.00 H new ATOM 970 N ASN A 87 5.993 3.284 6.242 1.00 0.00 N ATOM 971 CA ASN A 87 4.940 3.617 5.301 1.00 0.00 C ATOM 972 C ASN A 87 3.974 2.451 5.132 1.00 0.00 C ATOM 973 O ASN A 87 2.761 2.643 5.051 1.00 0.00 O ATOM 974 CB ASN A 87 5.552 3.992 3.953 1.00 0.00 C ATOM 975 CG ASN A 87 6.424 5.228 4.038 1.00 0.00 C ATOM 976 OD1 ASN A 87 5.960 6.303 4.418 1.00 0.00 O ATOM 977 ND2 ASN A 87 7.695 5.082 3.681 1.00 0.00 N ATOM 0 H ASN A 87 6.933 3.308 5.847 1.00 0.00 H new ATOM 0 HA ASN A 87 4.381 4.467 5.692 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.146 3.157 3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.754 4.162 3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.329 5.880 3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.037 4.172 3.372 1.00 0.00 H new ATOM 984 N ILE A 88 4.521 1.241 5.078 1.00 0.00 N ATOM 985 CA ILE A 88 3.706 0.042 4.918 1.00 0.00 C ATOM 986 C ILE A 88 2.885 -0.234 6.173 1.00 0.00 C ATOM 987 O ILE A 88 1.710 -0.591 6.093 1.00 0.00 O ATOM 988 CB ILE A 88 4.568 -1.196 4.600 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.406 -0.953 3.342 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.684 -2.422 4.427 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.301 -2.118 2.974 1.00 0.00 C ATOM 0 H ILE A 88 5.524 1.065 5.143 1.00 0.00 H new ATOM 0 HA ILE A 88 3.036 0.229 4.079 1.00 0.00 H new ATOM 0 HB ILE A 88 5.246 -1.374 5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.739 -0.741 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.022 -0.066 3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.305 -3.289 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.127 -2.602 5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.985 -2.254 3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.864 -1.874 2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.993 -2.317 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.691 -3.002 2.792 1.00 0.00 H new ATOM 1003 N GLY A 89 3.517 -0.075 7.332 1.00 0.00 N ATOM 1004 CA GLY A 89 2.836 -0.318 8.591 1.00 0.00 C ATOM 1005 C GLY A 89 1.615 0.561 8.778 1.00 0.00 C ATOM 1006 O GLY A 89 0.546 0.075 9.144 1.00 0.00 O ATOM 0 H GLY A 89 4.490 0.218 7.422 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.535 -1.365 8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.531 -0.147 9.413 1.00 0.00 H new ATOM 1010 N ASN A 90 1.773 1.858 8.528 1.00 0.00 N ATOM 1011 CA ASN A 90 0.672 2.803 8.676 1.00 0.00 C ATOM 1012 C ASN A 90 -0.416 2.551 7.638 1.00 0.00 C ATOM 1013 O ASN A 90 -1.605 2.609 7.949 1.00 0.00 O ATOM 1014 CB ASN A 90 1.179 4.241 8.551 1.00 0.00 C ATOM 1015 CG ASN A 90 2.215 4.587 9.597 1.00 0.00 C ATOM 1016 OD1 ASN A 90 3.375 5.046 9.146 1.00 0.00 O flip ATOM 1017 ND2 ASN A 90 1.974 4.454 10.797 1.00 0.00 N flip ATOM 0 H ASN A 90 2.651 2.277 8.223 1.00 0.00 H new ATOM 0 HA ASN A 90 0.244 2.658 9.668 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.607 4.386 7.559 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.337 4.928 8.638 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.067 4.097 11.099 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.681 4.701 11.490 1.00 0.00 H new ATOM 1024 N PHE A 91 -0.004 2.280 6.402 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.951 2.028 5.320 1.00 0.00 C ATOM 1026 C PHE A 91 -1.860 0.847 5.645 1.00 0.00 C ATOM 1027 O PHE A 91 -3.083 0.960 5.583 1.00 0.00 O ATOM 1028 CB PHE A 91 -0.206 1.758 4.011 1.00 0.00 C ATOM 1029 CG PHE A 91 -1.115 1.426 2.860 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -2.137 2.288 2.495 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.949 0.249 2.148 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.977 1.982 1.440 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.787 -0.062 1.094 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.801 0.805 0.739 1.00 0.00 C ATOM 0 H PHE A 91 0.977 2.229 6.126 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.569 2.919 5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.388 2.635 3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.491 0.934 4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.279 3.209 3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.156 -0.433 2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.769 2.662 1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.649 -0.983 0.548 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.455 0.563 -0.085 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.252 -0.283 5.986 1.00 0.00 N ATOM 1045 CA LEU A 92 -2.006 -1.487 6.317 1.00 0.00 C ATOM 1046 C LEU A 92 -2.825 -1.290 7.583 1.00 0.00 C ATOM 1047 O LEU A 92 -3.993 -1.664 7.639 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.057 -2.670 6.479 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.287 -3.036 5.213 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.780 -4.076 5.517 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.237 -3.540 4.141 1.00 0.00 C ATOM 0 H LEU A 92 -0.239 -0.391 6.041 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.696 -1.693 5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.344 -2.443 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.630 -3.538 6.806 1.00 0.00 H new ATOM 0 HG LEU A 92 0.208 -2.140 4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.318 -4.324 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.479 -3.676 6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.309 -4.975 5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.672 -3.796 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.761 -4.424 4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.962 -2.762 3.902 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.211 -0.693 8.594 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.894 -0.439 9.856 1.00 0.00 C ATOM 1065 C ARG A 93 -4.121 0.435 9.627 1.00 0.00 C ATOM 1066 O ARG A 93 -5.167 0.234 10.244 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.941 0.244 10.841 1.00 0.00 C ATOM 1068 CG ARG A 93 -2.571 0.569 12.178 1.00 0.00 C ATOM 1069 CD ARG A 93 -1.592 1.293 13.075 1.00 0.00 C ATOM 1070 NE ARG A 93 -0.402 0.492 13.349 1.00 0.00 N ATOM 1071 CZ ARG A 93 0.602 0.903 14.118 1.00 0.00 C ATOM 1072 NH1 ARG A 93 0.560 2.100 14.687 1.00 0.00 N ATOM 1073 NH2 ARG A 93 1.650 0.116 14.319 1.00 0.00 N ATOM 0 H ARG A 93 -1.242 -0.375 8.566 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.216 -1.392 10.276 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.078 -0.402 11.004 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.569 1.165 10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.457 1.186 12.027 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.902 -0.350 12.661 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.297 2.231 12.606 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.082 1.547 14.015 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.337 -0.434 12.927 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.244 2.709 14.535 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.332 2.412 15.276 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.687 -0.806 13.884 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.420 0.432 14.909 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.975 1.409 8.737 1.00 0.00 N ATOM 1088 CA ALA A 94 -5.058 2.329 8.416 1.00 0.00 C ATOM 1089 C ALA A 94 -6.172 1.641 7.631 1.00 0.00 C ATOM 1090 O ALA A 94 -7.348 1.838 7.922 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.523 3.519 7.635 1.00 0.00 C ATOM 0 H ALA A 94 -3.112 1.582 8.222 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.484 2.678 9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.342 4.199 7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.777 4.042 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.065 3.171 6.709 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.798 0.850 6.625 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.781 0.155 5.793 1.00 0.00 C ATOM 1099 C ILE A 95 -7.481 -0.969 6.556 1.00 0.00 C ATOM 1100 O ILE A 95 -8.680 -1.190 6.386 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.145 -0.419 4.508 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.138 -1.526 4.840 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.478 0.691 3.710 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.544 -2.192 3.617 1.00 0.00 C ATOM 0 H ILE A 95 -4.827 0.675 6.367 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.522 0.904 5.514 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.937 -0.858 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.332 -1.104 5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.630 -2.282 5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.034 0.273 2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.222 1.439 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.700 1.157 4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.841 -2.964 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.341 -2.644 3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.022 -1.448 3.015 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.730 -1.672 7.397 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.278 -2.768 8.185 1.00 0.00 C ATOM 1118 C LYS A 96 -8.425 -2.278 9.062 1.00 0.00 C ATOM 1119 O LYS A 96 -9.451 -2.946 9.194 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.182 -3.400 9.047 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.184 -4.239 8.262 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.129 -4.864 9.169 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.754 -5.779 10.210 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.729 -6.387 11.104 1.00 0.00 N ATOM 0 H LYS A 96 -5.736 -1.501 7.550 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.666 -3.524 7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.644 -2.609 9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.648 -4.026 9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.714 -5.026 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.696 -3.616 7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.419 -5.430 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.565 -4.076 9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.468 -5.213 10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.313 -6.569 9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.196 -7.004 11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.062 -6.948 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.212 -5.634 11.602 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.242 -1.104 9.653 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.253 -0.506 10.515 1.00 0.00 C ATOM 1140 C HIS A 97 -10.258 0.288 9.691 1.00 0.00 C ATOM 1141 O HIS A 97 -11.441 0.354 10.025 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.593 0.410 11.544 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.550 0.980 12.544 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -10.311 0.199 13.389 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.869 2.264 12.834 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -11.057 0.976 14.153 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.807 2.234 13.837 1.00 0.00 N ATOM 0 H HIS A 97 -7.396 -0.544 9.550 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.779 -1.308 11.033 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.820 -0.149 12.072 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.096 1.228 11.023 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.462 3.147 12.364 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.753 0.640 14.908 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.240 3.051 14.268 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.768 0.897 8.616 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.605 1.706 7.734 1.00 0.00 C ATOM 1158 C TYR A 98 -11.846 0.934 7.300 1.00 0.00 C ATOM 1159 O TYR A 98 -12.951 1.478 7.281 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.810 2.144 6.501 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.546 3.118 5.607 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.112 4.277 6.123 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.666 2.881 4.243 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.779 5.171 5.308 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.330 3.771 3.420 1.00 0.00 C ATOM 1166 CZ TYR A 98 -11.885 4.914 3.957 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.545 5.802 3.141 1.00 0.00 O ATOM 0 H TYR A 98 -8.790 0.845 8.333 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.923 2.589 8.288 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.876 2.601 6.827 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.546 1.261 5.919 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.029 4.483 7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.233 1.987 3.819 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.215 6.066 5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.414 3.573 2.362 1.00 0.00 H new ATOM 0 HH TYR A 98 -12.329 5.608 2.205 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.660 -0.336 6.954 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.779 -1.155 6.528 1.00 0.00 C ATOM 1179 C GLY A 99 -12.352 -2.510 6.003 1.00 0.00 C ATOM 1180 O GLY A 99 -12.953 -3.530 6.343 1.00 0.00 O ATOM 0 H GLY A 99 -10.757 -0.811 6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.461 -1.294 7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.333 -0.628 5.751 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.319 -2.523 5.167 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.824 -3.766 4.589 1.00 0.00 C ATOM 1186 C VAL A 100 -10.374 -4.733 5.680 1.00 0.00 C ATOM 1187 O VAL A 100 -9.594 -4.372 6.562 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.650 -3.510 3.622 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.281 -4.790 2.886 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -10.005 -2.411 2.633 1.00 0.00 C ATOM 0 H VAL A 100 -10.810 -1.689 4.875 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.649 -4.209 4.031 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.788 -3.184 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.451 -4.593 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.987 -5.553 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.140 -5.142 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.165 -2.243 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.880 -2.710 2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.224 -1.491 3.175 1.00 0.00 H new ATOM 1200 N LYS A 101 -10.875 -5.963 5.614 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.530 -6.987 6.595 1.00 0.00 C ATOM 1202 C LYS A 101 -9.089 -7.458 6.416 1.00 0.00 C ATOM 1203 O LYS A 101 -8.605 -7.584 5.291 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.488 -8.175 6.480 1.00 0.00 C ATOM 1205 CG LYS A 101 -12.944 -7.808 6.720 1.00 0.00 C ATOM 1206 CD LYS A 101 -13.864 -9.018 6.617 1.00 0.00 C ATOM 1207 CE LYS A 101 -13.951 -9.554 5.194 1.00 0.00 C ATOM 1208 NZ LYS A 101 -12.660 -10.127 4.726 1.00 0.00 N ATOM 0 H LYS A 101 -11.522 -6.275 4.890 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.624 -6.547 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.392 -8.614 5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.192 -8.941 7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.046 -7.358 7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.252 -7.056 5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.502 -9.805 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.861 -8.745 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.725 -10.320 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.253 -8.750 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.846 -10.932 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.124 -9.400 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.106 -10.450 5.545 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.381 -7.727 7.529 1.00 0.00 N ATOM 1223 CA PRO A 102 -6.989 -8.188 7.493 1.00 0.00 C ATOM 1224 C PRO A 102 -6.809 -9.411 6.598 1.00 0.00 C ATOM 1225 O PRO A 102 -5.805 -9.539 5.898 1.00 0.00 O ATOM 1226 CB PRO A 102 -6.689 -8.546 8.950 1.00 0.00 C ATOM 1227 CG PRO A 102 -7.651 -7.738 9.749 1.00 0.00 C ATOM 1228 CD PRO A 102 -8.885 -7.602 8.911 1.00 0.00 C ATOM 0 HA PRO A 102 -6.322 -7.430 7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.823 -9.613 9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.658 -8.306 9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.877 -8.227 10.696 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.233 -6.760 9.987 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.615 -8.377 9.143 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.376 -6.643 9.073 1.00 0.00 H new ATOM 1236 N HIS A 103 -7.792 -10.307 6.631 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.754 -11.525 5.826 1.00 0.00 C ATOM 1238 C HIS A 103 -7.558 -11.186 4.349 1.00 0.00 C ATOM 1239 O HIS A 103 -6.966 -11.959 3.596 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.050 -12.320 6.017 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.025 -13.694 5.416 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -8.030 -14.383 4.804 1.00 0.00 N flip ATOM 1243 CD2 HIS A 103 -10.121 -14.531 5.414 1.00 0.00 C flip ATOM 1244 CE1 HIS A 103 -8.541 -15.607 4.450 1.00 0.00 C flip ATOM 1245 NE2 HIS A 103 -9.802 -15.672 4.830 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.627 -10.212 7.209 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.912 -12.133 6.155 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.256 -12.406 7.084 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.875 -11.759 5.578 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -7.079 -14.053 4.638 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.090 -14.291 5.826 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.998 -16.390 3.942 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.049 -10.019 3.947 1.00 0.00 N ATOM 1255 CA ASP A 104 -7.925 -9.565 2.571 1.00 0.00 C ATOM 1256 C ASP A 104 -6.932 -8.418 2.500 1.00 0.00 C ATOM 1257 O ASP A 104 -7.120 -7.455 1.756 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.286 -9.120 2.034 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.289 -10.256 1.986 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.577 -10.839 3.052 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -10.787 -10.561 0.881 1.00 0.00 O ATOM 0 H ASP A 104 -8.539 -9.368 4.561 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.564 -10.389 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.677 -8.320 2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.161 -8.707 1.033 1.00 0.00 H new ATOM 1266 N ILE A 105 -5.880 -8.531 3.299 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.849 -7.509 3.361 1.00 0.00 C ATOM 1268 C ILE A 105 -3.474 -8.130 3.582 1.00 0.00 C ATOM 1269 O ILE A 105 -3.287 -8.941 4.490 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.140 -6.513 4.499 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.428 -5.739 4.215 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -3.973 -5.562 4.686 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.805 -4.761 5.307 1.00 0.00 C ATOM 0 H ILE A 105 -5.719 -9.327 3.917 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.853 -6.983 2.407 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.274 -7.074 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.315 -5.196 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.244 -6.448 4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.197 -4.866 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.077 -6.130 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.806 -5.006 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.728 -4.250 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.951 -5.300 6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.008 -4.028 5.430 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.515 -7.739 2.749 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.156 -8.253 2.855 1.00 0.00 C ATOM 1287 C PHE A 106 -0.432 -7.628 4.035 1.00 0.00 C ATOM 1288 O PHE A 106 -0.620 -6.451 4.339 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.376 -7.991 1.567 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.193 -6.531 1.247 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.836 -5.803 1.825 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.052 -5.887 0.372 1.00 0.00 C ATOM 1293 CE1 PHE A 106 1.004 -4.461 1.535 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.889 -4.546 0.079 1.00 0.00 C ATOM 1295 CZ PHE A 106 0.140 -3.833 0.661 1.00 0.00 C ATOM 0 H PHE A 106 -2.655 -7.068 1.994 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.218 -9.329 3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.604 -8.460 1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.893 -8.472 0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.514 -6.290 2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.859 -6.439 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.810 -3.906 1.992 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.566 -4.056 -0.605 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.269 -2.785 0.433 1.00 0.00 H new ATOM 1305 N GLU A 107 0.401 -8.418 4.691 1.00 0.00 N ATOM 1306 CA GLU A 107 1.161 -7.932 5.831 1.00 0.00 C ATOM 1307 C GLU A 107 2.450 -7.266 5.373 1.00 0.00 C ATOM 1308 O GLU A 107 3.024 -7.641 4.350 1.00 0.00 O ATOM 1309 CB GLU A 107 1.468 -9.060 6.808 1.00 0.00 C ATOM 1310 CG GLU A 107 0.244 -9.557 7.555 1.00 0.00 C ATOM 1311 CD GLU A 107 -0.625 -10.491 6.732 1.00 0.00 C ATOM 1312 OE1 GLU A 107 -1.187 -10.041 5.713 1.00 0.00 O ATOM 1313 OE2 GLU A 107 -0.744 -11.675 7.110 1.00 0.00 O ATOM 0 H GLU A 107 0.568 -9.396 4.455 1.00 0.00 H new ATOM 0 HA GLU A 107 0.550 -7.192 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.915 -9.892 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.210 -8.715 7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.564 -10.073 8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.353 -8.701 7.871 1.00 0.00 H new ATOM 1320 N ALA A 108 2.897 -6.273 6.134 1.00 0.00 N ATOM 1321 CA ALA A 108 4.116 -5.546 5.810 1.00 0.00 C ATOM 1322 C ALA A 108 5.259 -6.499 5.484 1.00 0.00 C ATOM 1323 O ALA A 108 6.089 -6.213 4.623 1.00 0.00 O ATOM 1324 CB ALA A 108 4.502 -4.629 6.960 1.00 0.00 C ATOM 0 H ALA A 108 2.430 -5.953 6.983 1.00 0.00 H new ATOM 0 HA ALA A 108 3.923 -4.941 4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.415 -4.091 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.699 -3.915 7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.669 -5.223 7.859 1.00 0.00 H new ATOM 1330 N ASN A 109 5.300 -7.631 6.180 1.00 0.00 N ATOM 1331 CA ASN A 109 6.342 -8.620 5.969 1.00 0.00 C ATOM 1332 C ASN A 109 6.187 -9.326 4.621 1.00 0.00 C ATOM 1333 O ASN A 109 7.177 -9.629 3.958 1.00 0.00 O ATOM 1334 CB ASN A 109 6.326 -9.639 7.106 1.00 0.00 C ATOM 1335 CG ASN A 109 4.967 -10.285 7.293 1.00 0.00 C ATOM 1336 OD1 ASN A 109 4.459 -10.965 6.400 1.00 0.00 O ATOM 1337 ND2 ASN A 109 4.369 -10.077 8.460 1.00 0.00 N ATOM 0 H ASN A 109 4.619 -7.883 6.897 1.00 0.00 H new ATOM 0 HA ASN A 109 7.301 -8.102 5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.067 -10.413 6.906 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.621 -9.148 8.033 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.453 -10.487 8.644 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.825 -9.507 9.172 1.00 0.00 H new ATOM 1344 N ASP A 110 4.948 -9.596 4.224 1.00 0.00 N ATOM 1345 CA ASP A 110 4.689 -10.274 2.957 1.00 0.00 C ATOM 1346 C ASP A 110 5.214 -9.463 1.777 1.00 0.00 C ATOM 1347 O ASP A 110 5.846 -10.007 0.873 1.00 0.00 O ATOM 1348 CB ASP A 110 3.191 -10.540 2.784 1.00 0.00 C ATOM 1349 CG ASP A 110 2.639 -11.467 3.848 1.00 0.00 C ATOM 1350 OD1 ASP A 110 3.139 -12.605 3.962 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.703 -11.056 4.565 1.00 0.00 O ATOM 0 H ASP A 110 4.111 -9.358 4.757 1.00 0.00 H new ATOM 0 HA ASP A 110 5.218 -11.227 2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.651 -9.594 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 110 3.014 -10.975 1.800 1.00 0.00 H new ATOM 1356 N LEU A 111 4.944 -8.163 1.787 1.00 0.00 N ATOM 1357 CA LEU A 111 5.386 -7.280 0.712 1.00 0.00 C ATOM 1358 C LEU A 111 6.882 -6.985 0.815 1.00 0.00 C ATOM 1359 O LEU A 111 7.595 -6.996 -0.188 1.00 0.00 O ATOM 1360 CB LEU A 111 4.590 -5.972 0.747 1.00 0.00 C ATOM 1361 CG LEU A 111 4.885 -4.995 -0.395 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.500 -5.604 -1.738 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.146 -3.683 -0.177 1.00 0.00 C ATOM 0 H LEU A 111 4.421 -7.696 2.528 1.00 0.00 H new ATOM 0 HA LEU A 111 5.207 -7.787 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.527 -6.212 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.790 -5.470 1.694 1.00 0.00 H new ATOM 0 HG LEU A 111 5.956 -4.793 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.718 -4.894 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.071 -6.518 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.435 -5.837 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.367 -3.000 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.073 -3.871 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.468 -3.236 0.764 1.00 0.00 H new ATOM 1375 N PHE A 112 7.346 -6.705 2.030 1.00 0.00 N ATOM 1376 CA PHE A 112 8.754 -6.388 2.264 1.00 0.00 C ATOM 1377 C PHE A 112 9.656 -7.604 2.054 1.00 0.00 C ATOM 1378 O PHE A 112 10.555 -7.583 1.214 1.00 0.00 O ATOM 1379 CB PHE A 112 8.946 -5.851 3.683 1.00 0.00 C ATOM 1380 CG PHE A 112 10.347 -5.384 3.967 1.00 0.00 C ATOM 1381 CD1 PHE A 112 10.946 -4.415 3.174 1.00 0.00 C ATOM 1382 CD2 PHE A 112 11.064 -5.911 5.028 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.232 -3.984 3.436 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.351 -5.484 5.294 1.00 0.00 C ATOM 1385 CZ PHE A 112 12.936 -4.519 4.498 1.00 0.00 C ATOM 0 H PHE A 112 6.767 -6.691 2.870 1.00 0.00 H new ATOM 0 HA PHE A 112 9.039 -5.627 1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.256 -5.023 3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.681 -6.631 4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.400 -3.993 2.343 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.612 -6.665 5.655 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.687 -3.229 2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.899 -5.905 6.124 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.941 -4.183 4.705 1.00 0.00 H new ATOM 1395 N GLU A 113 9.417 -8.658 2.830 1.00 0.00 N ATOM 1396 CA GLU A 113 10.214 -9.878 2.736 1.00 0.00 C ATOM 1397 C GLU A 113 9.875 -10.667 1.479 1.00 0.00 C ATOM 1398 O GLU A 113 10.542 -11.651 1.155 1.00 0.00 O ATOM 1399 CB GLU A 113 9.998 -10.750 3.972 1.00 0.00 C ATOM 1400 CG GLU A 113 10.500 -10.111 5.256 1.00 0.00 C ATOM 1401 CD GLU A 113 11.991 -9.839 5.226 1.00 0.00 C ATOM 1402 OE1 GLU A 113 12.768 -10.804 5.068 1.00 0.00 O ATOM 1403 OE2 GLU A 113 12.383 -8.661 5.364 1.00 0.00 O ATOM 0 H GLU A 113 8.677 -8.692 3.531 1.00 0.00 H new ATOM 0 HA GLU A 113 11.263 -9.586 2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.934 -10.966 4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.505 -11.704 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.967 -9.175 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 113 10.270 -10.765 6.097 1.00 0.00 H new ATOM 1410 N ASN A 114 8.829 -10.238 0.782 1.00 0.00 N ATOM 1411 CA ASN A 114 8.390 -10.908 -0.436 1.00 0.00 C ATOM 1412 C ASN A 114 7.955 -12.338 -0.136 1.00 0.00 C ATOM 1413 O ASN A 114 8.068 -13.224 -0.984 1.00 0.00 O ATOM 1414 CB ASN A 114 9.509 -10.910 -1.481 1.00 0.00 C ATOM 1415 CG ASN A 114 9.898 -9.513 -1.918 1.00 0.00 C ATOM 1416 OD1 ASN A 114 10.336 -8.697 -1.110 1.00 0.00 O ATOM 1417 ND2 ASN A 114 9.739 -9.230 -3.206 1.00 0.00 N ATOM 0 H ASN A 114 8.268 -9.427 1.041 1.00 0.00 H new ATOM 0 HA ASN A 114 7.537 -10.360 -0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 114 10.383 -11.416 -1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.188 -11.483 -2.351 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.984 -8.305 -3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 114 9.372 -9.938 -3.842 1.00 0.00 H new ATOM 1424 N THR A 115 7.449 -12.555 1.075 1.00 0.00 N ATOM 1425 CA THR A 115 6.989 -13.877 1.483 1.00 0.00 C ATOM 1426 C THR A 115 5.693 -14.244 0.769 1.00 0.00 C ATOM 1427 O THR A 115 5.466 -15.406 0.431 1.00 0.00 O ATOM 1428 CB THR A 115 6.770 -13.962 3.005 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.759 -13.034 3.411 1.00 0.00 O ATOM 1430 CG2 THR A 115 8.061 -13.673 3.755 1.00 0.00 C ATOM 0 H THR A 115 7.348 -11.833 1.789 1.00 0.00 H new ATOM 0 HA THR A 115 7.772 -14.583 1.205 1.00 0.00 H new ATOM 0 HB THR A 115 6.447 -14.975 3.245 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.889 -13.484 3.425 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.881 -13.739 4.828 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.819 -14.402 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.410 -12.671 3.507 1.00 0.00 H new ATOM 1438 N ASN A 116 4.845 -13.244 0.543 1.00 0.00 N ATOM 1439 CA ASN A 116 3.570 -13.459 -0.132 1.00 0.00 C ATOM 1440 C ASN A 116 3.294 -12.329 -1.122 1.00 0.00 C ATOM 1441 O ASN A 116 3.255 -11.158 -0.746 1.00 0.00 O ATOM 1442 CB ASN A 116 2.440 -13.548 0.900 1.00 0.00 C ATOM 1443 CG ASN A 116 1.118 -13.998 0.301 1.00 0.00 C ATOM 1444 OD1 ASN A 116 1.102 -14.253 -1.004 1.00 0.00 O flip ATOM 1445 ND2 ASN A 116 0.120 -14.124 1.010 1.00 0.00 N flip ATOM 0 H ASN A 116 5.019 -12.277 0.818 1.00 0.00 H new ATOM 0 HA ASN A 116 3.619 -14.397 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.730 -14.243 1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 116 2.306 -12.573 1.368 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.174 -13.918 2.008 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -0.761 -14.434 0.600 1.00 0.00 H new ATOM 1452 N HIS A 117 3.111 -12.690 -2.390 1.00 0.00 N ATOM 1453 CA HIS A 117 2.850 -11.707 -3.438 1.00 0.00 C ATOM 1454 C HIS A 117 1.373 -11.668 -3.815 1.00 0.00 C ATOM 1455 O HIS A 117 0.776 -10.596 -3.908 1.00 0.00 O ATOM 1456 CB HIS A 117 3.684 -12.022 -4.683 1.00 0.00 C ATOM 1457 CG HIS A 117 5.163 -11.973 -4.456 1.00 0.00 C ATOM 1458 ND1 HIS A 117 6.084 -12.238 -5.448 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.884 -11.687 -3.344 1.00 0.00 C ATOM 1460 CE1 HIS A 117 7.304 -12.116 -4.958 1.00 0.00 C ATOM 1461 NE2 HIS A 117 7.210 -11.783 -3.684 1.00 0.00 N ATOM 0 H HIS A 117 3.139 -13.656 -2.716 1.00 0.00 H new ATOM 0 HA HIS A 117 3.131 -10.730 -3.046 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.416 -13.014 -5.046 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.424 -11.314 -5.470 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.858 -12.489 -6.410 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.489 -11.431 -2.372 1.00 0.00 H new ATOM 0 HE1 HIS A 117 8.223 -12.264 -5.506 1.00 0.00 H new ATOM 1470 N THR A 118 0.795 -12.844 -4.047 1.00 0.00 N ATOM 1471 CA THR A 118 -0.608 -12.947 -4.434 1.00 0.00 C ATOM 1472 C THR A 118 -1.509 -12.147 -3.500 1.00 0.00 C ATOM 1473 O THR A 118 -2.433 -11.467 -3.948 1.00 0.00 O ATOM 1474 CB THR A 118 -1.080 -14.413 -4.451 1.00 0.00 C ATOM 1475 OG1 THR A 118 -0.236 -15.190 -5.311 1.00 0.00 O ATOM 1476 CG2 THR A 118 -2.520 -14.507 -4.931 1.00 0.00 C ATOM 0 H THR A 118 1.278 -13.739 -3.973 1.00 0.00 H new ATOM 0 HA THR A 118 -0.682 -12.533 -5.440 1.00 0.00 H new ATOM 0 HB THR A 118 -1.022 -14.804 -3.435 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.542 -16.121 -5.315 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.835 -15.551 -4.936 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.165 -13.937 -4.262 1.00 0.00 H new ATOM 0 HG23 THR A 118 -2.594 -14.101 -5.940 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.237 -12.229 -2.203 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.024 -11.512 -1.210 1.00 0.00 C ATOM 1486 C GLN A 119 -2.019 -10.013 -1.493 1.00 0.00 C ATOM 1487 O GLN A 119 -3.035 -9.339 -1.327 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.476 -11.781 0.191 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.278 -11.120 1.297 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.717 -11.595 1.338 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -3.987 -12.781 1.521 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.651 -10.666 1.165 1.00 0.00 N ATOM 0 H GLN A 119 -0.476 -12.786 -1.815 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.052 -11.870 -1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.455 -12.857 0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.445 -11.430 0.242 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.804 -11.325 2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.260 -10.039 1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.382 -9.694 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.637 -10.925 1.181 1.00 0.00 H new ATOM 1501 N VAL A 120 -0.869 -9.501 -1.918 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.730 -8.081 -2.221 1.00 0.00 C ATOM 1503 C VAL A 120 -1.694 -7.652 -3.324 1.00 0.00 C ATOM 1504 O VAL A 120 -2.372 -6.631 -3.204 1.00 0.00 O ATOM 1505 CB VAL A 120 0.711 -7.738 -2.649 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.830 -6.263 -3.004 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.696 -8.109 -1.551 1.00 0.00 C ATOM 0 H VAL A 120 -0.020 -10.048 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.970 -7.539 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 120 0.953 -8.321 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.855 -6.042 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.154 -6.031 -3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.567 -5.658 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.708 -7.860 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.455 -7.555 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.632 -9.179 -1.351 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.748 -8.435 -4.396 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.615 -8.146 -5.517 1.00 0.00 C ATOM 1519 C GLN A 121 -4.084 -8.165 -5.098 1.00 0.00 C ATOM 1520 O GLN A 121 -4.856 -7.282 -5.469 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.367 -9.173 -6.617 1.00 0.00 C ATOM 1522 CG GLN A 121 -3.222 -8.948 -7.838 1.00 0.00 C ATOM 1523 CD GLN A 121 -2.973 -9.970 -8.929 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -3.156 -11.169 -8.726 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -2.553 -9.498 -10.097 1.00 0.00 N ATOM 0 H GLN A 121 -1.192 -9.283 -4.506 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.390 -7.146 -5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -1.316 -9.141 -6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.560 -10.171 -6.224 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.273 -8.980 -7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -3.029 -7.950 -8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -2.414 -8.495 -10.222 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -2.369 -10.138 -10.869 1.00 0.00 H new ATOM 1534 N SER A 122 -4.460 -9.181 -4.328 1.00 0.00 N ATOM 1535 CA SER A 122 -5.836 -9.322 -3.861 1.00 0.00 C ATOM 1536 C SER A 122 -6.235 -8.159 -2.956 1.00 0.00 C ATOM 1537 O SER A 122 -7.359 -7.663 -3.030 1.00 0.00 O ATOM 1538 CB SER A 122 -6.008 -10.645 -3.113 1.00 0.00 C ATOM 1539 OG SER A 122 -7.338 -10.803 -2.651 1.00 0.00 O ATOM 0 H SER A 122 -3.831 -9.920 -4.014 1.00 0.00 H new ATOM 0 HA SER A 122 -6.488 -9.314 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 122 -5.748 -11.474 -3.771 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.320 -10.680 -2.268 1.00 0.00 H new ATOM 0 HG SER A 122 -7.421 -11.657 -2.178 1.00 0.00 H new ATOM 1545 N THR A 123 -5.310 -7.733 -2.102 1.00 0.00 N ATOM 1546 CA THR A 123 -5.567 -6.632 -1.180 1.00 0.00 C ATOM 1547 C THR A 123 -6.024 -5.384 -1.926 1.00 0.00 C ATOM 1548 O THR A 123 -6.983 -4.726 -1.525 1.00 0.00 O ATOM 1549 CB THR A 123 -4.317 -6.293 -0.349 1.00 0.00 C ATOM 1550 OG1 THR A 123 -3.888 -7.446 0.383 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.599 -5.151 0.618 1.00 0.00 C ATOM 0 H THR A 123 -4.375 -8.134 -2.029 1.00 0.00 H new ATOM 0 HA THR A 123 -6.361 -6.960 -0.509 1.00 0.00 H new ATOM 0 HB THR A 123 -3.529 -5.981 -1.034 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.594 -8.140 -0.243 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.700 -4.931 1.193 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.897 -4.265 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.402 -5.439 1.296 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.333 -5.065 -3.016 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.674 -3.898 -3.820 1.00 0.00 C ATOM 1561 C LEU A 124 -7.118 -3.984 -4.303 1.00 0.00 C ATOM 1562 O LEU A 124 -7.825 -2.978 -4.363 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.726 -3.773 -5.017 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.252 -3.546 -4.664 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.414 -3.422 -5.928 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -3.093 -2.309 -3.793 1.00 0.00 C ATOM 0 H LEU A 124 -4.535 -5.598 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.566 -3.011 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.803 -4.680 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.064 -2.947 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.898 -4.409 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.370 -3.261 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.501 -4.337 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.770 -2.578 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.039 -2.166 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.465 -1.436 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.660 -2.438 -2.871 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.547 -5.194 -4.647 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.907 -5.420 -5.124 1.00 0.00 C ATOM 1580 C ILE A 125 -9.935 -5.008 -4.074 1.00 0.00 C ATOM 1581 O ILE A 125 -10.902 -4.308 -4.379 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.132 -6.902 -5.487 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.102 -7.366 -6.521 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.547 -7.115 -6.008 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.156 -6.602 -7.827 1.00 0.00 C ATOM 0 H ILE A 125 -6.971 -6.035 -4.604 1.00 0.00 H new ATOM 0 HA ILE A 125 -9.036 -4.807 -6.016 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.004 -7.500 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.104 -7.267 -6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.258 -8.425 -6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.688 -8.166 -6.259 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.265 -6.826 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.703 -6.505 -6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.397 -6.989 -8.507 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.141 -6.721 -8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -7.969 -5.545 -7.638 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.720 -5.450 -2.838 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.628 -5.133 -1.742 1.00 0.00 C ATOM 1599 C ALA A 126 -10.644 -3.636 -1.447 1.00 0.00 C ATOM 1600 O ALA A 126 -11.706 -3.033 -1.311 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.242 -5.913 -0.496 1.00 0.00 C ATOM 0 H ALA A 126 -8.924 -6.029 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.634 -5.424 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.928 -5.667 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.295 -6.982 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.225 -5.651 -0.203 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.459 -3.043 -1.348 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.337 -1.617 -1.066 1.00 0.00 C ATOM 1609 C LEU A 127 -10.100 -0.789 -2.097 1.00 0.00 C ATOM 1610 O LEU A 127 -10.636 0.274 -1.780 1.00 0.00 O ATOM 1611 CB LEU A 127 -7.863 -1.203 -1.052 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.603 0.275 -0.745 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.178 0.649 0.613 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.112 0.573 -0.793 1.00 0.00 C ATOM 0 H LEU A 127 -8.569 -3.528 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.770 -1.429 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.339 -1.809 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.427 -1.438 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.101 0.877 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -7.983 1.703 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.254 0.472 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -7.710 0.040 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.944 1.627 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.595 -0.039 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.727 0.344 -1.787 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.137 -1.280 -3.329 1.00 0.00 N ATOM 1627 CA ALA A 128 -10.824 -0.590 -4.413 1.00 0.00 C ATOM 1628 C ALA A 128 -12.310 -0.412 -4.111 1.00 0.00 C ATOM 1629 O ALA A 128 -12.865 0.668 -4.309 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.639 -1.347 -5.720 1.00 0.00 C ATOM 0 H ALA A 128 -9.697 -2.158 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.383 0.402 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.157 -0.821 -6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.577 -1.412 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.050 -2.351 -5.620 1.00 0.00 H new ATOM 1636 N SER A 129 -12.948 -1.479 -3.638 1.00 0.00 N ATOM 1637 CA SER A 129 -14.373 -1.439 -3.318 1.00 0.00 C ATOM 1638 C SER A 129 -14.669 -0.384 -2.255 1.00 0.00 C ATOM 1639 O SER A 129 -15.699 0.288 -2.306 1.00 0.00 O ATOM 1640 CB SER A 129 -14.855 -2.810 -2.841 1.00 0.00 C ATOM 1641 OG SER A 129 -14.211 -3.192 -1.639 1.00 0.00 O ATOM 0 H SER A 129 -12.502 -2.381 -3.468 1.00 0.00 H new ATOM 0 HA SER A 129 -14.910 -1.171 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 129 -15.934 -2.785 -2.686 1.00 0.00 H new ATOM 0 HB3 SER A 129 -14.661 -3.555 -3.613 1.00 0.00 H new ATOM 0 HG SER A 129 -13.258 -3.343 -1.812 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.765 -0.247 -1.290 1.00 0.00 N ATOM 1648 CA GLN A 130 -13.932 0.720 -0.217 1.00 0.00 C ATOM 1649 C GLN A 130 -13.929 2.148 -0.740 1.00 0.00 C ATOM 1650 O GLN A 130 -14.820 2.934 -0.432 1.00 0.00 O ATOM 1651 CB GLN A 130 -12.813 0.557 0.797 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.178 -0.318 1.985 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.609 -1.714 1.582 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -12.850 -2.455 0.960 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -14.834 -2.081 1.939 1.00 0.00 N ATOM 0 H GLN A 130 -12.908 -0.796 -1.232 1.00 0.00 H new ATOM 0 HA GLN A 130 -14.898 0.531 0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -11.943 0.130 0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.520 1.542 1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.321 -0.388 2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -13.983 0.157 2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -15.430 -1.434 2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -15.179 -3.010 1.698 1.00 0.00 H new ATOM 1664 N ALA A 131 -12.904 2.478 -1.512 1.00 0.00 N ATOM 1665 CA ALA A 131 -12.750 3.817 -2.063 1.00 0.00 C ATOM 1666 C ALA A 131 -13.888 4.191 -3.012 1.00 0.00 C ATOM 1667 O ALA A 131 -14.446 5.284 -2.917 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.409 3.921 -2.767 1.00 0.00 C ATOM 0 H ALA A 131 -12.160 1.831 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.789 4.527 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -11.292 4.923 -3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -10.608 3.726 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.363 3.188 -3.573 1.00 0.00 H new ATOM 1674 N LYS A 132 -14.224 3.290 -3.931 1.00 0.00 N ATOM 1675 CA LYS A 132 -15.290 3.550 -4.896 1.00 0.00 C ATOM 1676 C LYS A 132 -16.638 3.737 -4.200 1.00 0.00 C ATOM 1677 O LYS A 132 -17.368 4.685 -4.489 1.00 0.00 O ATOM 1678 CB LYS A 132 -15.378 2.414 -5.920 1.00 0.00 C ATOM 1679 CG LYS A 132 -15.699 1.058 -5.310 1.00 0.00 C ATOM 1680 CD LYS A 132 -15.775 -0.032 -6.370 1.00 0.00 C ATOM 1681 CE LYS A 132 -16.891 0.232 -7.368 1.00 0.00 C ATOM 1682 NZ LYS A 132 -18.225 0.292 -6.709 1.00 0.00 N ATOM 0 H LYS A 132 -13.777 2.378 -4.028 1.00 0.00 H new ATOM 0 HA LYS A 132 -15.046 4.476 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -16.143 2.660 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -14.431 2.346 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -14.936 0.799 -4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -16.648 1.114 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -14.823 -0.095 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -15.937 -0.997 -5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -16.700 1.172 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -16.895 -0.553 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -18.971 0.252 -7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -18.328 -0.514 -6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -18.308 1.180 -6.174 1.00 0.00 H new ATOM 1696 N THR A 133 -16.959 2.829 -3.285 1.00 0.00 N ATOM 1697 CA THR A 133 -18.219 2.894 -2.551 1.00 0.00 C ATOM 1698 C THR A 133 -18.243 4.086 -1.597 1.00 0.00 C ATOM 1699 O THR A 133 -19.281 4.721 -1.406 1.00 0.00 O ATOM 1700 CB THR A 133 -18.466 1.603 -1.748 1.00 0.00 C ATOM 1701 OG1 THR A 133 -18.480 0.473 -2.629 1.00 0.00 O ATOM 1702 CG2 THR A 133 -19.787 1.675 -0.994 1.00 0.00 C ATOM 0 H THR A 133 -16.365 2.039 -3.033 1.00 0.00 H new ATOM 0 HA THR A 133 -19.010 3.011 -3.292 1.00 0.00 H new ATOM 0 HB THR A 133 -17.658 1.494 -1.025 1.00 0.00 H new ATOM 0 HG1 THR A 133 -17.569 0.125 -2.729 1.00 0.00 H new ATOM 0 HG21 THR A 133 -19.938 0.751 -0.435 1.00 0.00 H new ATOM 0 HG22 THR A 133 -19.766 2.518 -0.303 1.00 0.00 H new ATOM 0 HG23 THR A 133 -20.604 1.807 -1.703 1.00 0.00 H new ATOM 1710 N LYS A 134 -17.094 4.376 -0.998 1.00 0.00 N ATOM 1711 CA LYS A 134 -16.970 5.478 -0.057 1.00 0.00 C ATOM 1712 C LYS A 134 -17.422 6.791 -0.689 1.00 0.00 C ATOM 1713 O LYS A 134 -18.084 7.587 0.009 1.00 0.00 O ATOM 1714 CB LYS A 134 -15.518 5.595 0.406 1.00 0.00 C ATOM 1715 CG LYS A 134 -15.327 6.521 1.591 1.00 0.00 C ATOM 1716 CD LYS A 134 -15.999 5.975 2.842 1.00 0.00 C ATOM 1717 CE LYS A 134 -15.386 4.652 3.280 1.00 0.00 C ATOM 1718 NZ LYS A 134 -16.056 4.102 4.491 1.00 0.00 N ATOM 1719 OXT LYS A 134 -17.110 7.013 -1.879 1.00 0.00 O ATOM 0 H LYS A 134 -16.229 3.857 -1.151 1.00 0.00 H new ATOM 0 HA LYS A 134 -17.612 5.275 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -15.149 4.603 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -14.909 5.952 -0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -14.262 6.657 1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -15.737 7.503 1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -15.910 6.702 3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -17.064 5.838 2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -15.459 3.931 2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -14.325 4.794 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -15.609 3.201 4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -15.964 4.778 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -17.063 3.942 4.288 1.00 0.00 H new TER 1733 LYS A 134