USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 834 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 101 THR OG1 : rot 180:sc= 1.07 USER MOD Set 1.2: A 114 THR OG1 : rot 123:sc= 1.24 USER MOD Set 2.1: A 63 CYS SG : rot -86:sc= 1.15 USER MOD Set 2.2: A 90 CYS SG : rot -23:sc= 1.07 USER MOD Set 3.1: A 43 TYR OH : rot 0:sc= 0.868 USER MOD Set 3.2: A 46 THR OG1 : rot 180:sc= 0.765 USER MOD Set 4.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 50 THR OG1 : rot 180:sc= -0.0233 USER MOD Single : A 33 TYR OH : rot 131:sc= -0.118 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.37 K(o=1.4,f=-5.2!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -175:sc= -0.513 (180deg=-0.583) USER MOD Single : A 52 ASN : amide:sc=-0.000408 X(o=-0.00041,f=-0.43) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 56 SER OG : rot 21:sc= 1.22 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 65 THR OG1 : rot 133:sc= 1.26 USER MOD Single : A 68 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.24) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.13 K(o=-1.1,f=-5.3!) USER MOD Single : A 76 THR OG1 : rot -164:sc= 1.26 USER MOD Single : A 78 SER OG : rot -89:sc= 0.544 USER MOD Single : A 82 MET CE :methyl 156:sc= -2.72 (180deg=-5.68!) USER MOD Single : A 83 ASN : amide:sc= -0.998 K(o=-1,f=-0.035) USER MOD Single : A 94 THR OG1 : rot 55:sc= 0.819 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -166:sc= -0.127 (180deg=-0.265) USER MOD Single : A 98 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.51) USER MOD Single : A 103 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.0153 K(o=0.015,f=-3.2!) USER MOD Single : A 117 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.034) USER MOD Single : A 120 MET CE :methyl 170:sc= 0 (180deg=-0.0958) USER MOD Single : A 121 SER OG : rot 170:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.0104 X(o=-0.01,f=-0.01) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 27 -2.592 -15.932 8.506 1.00 0.00 N ATOM 26 CA GLU A 27 -1.561 -15.194 9.225 1.00 0.00 C ATOM 27 C GLU A 27 -0.257 -15.988 9.264 1.00 0.00 C ATOM 28 O GLU A 27 -0.063 -16.862 10.107 1.00 0.00 O ATOM 29 CB GLU A 27 -2.066 -14.722 10.599 1.00 0.00 C ATOM 30 CG GLU A 27 -1.009 -13.962 11.406 1.00 0.00 C ATOM 31 CD GLU A 27 -1.176 -14.218 12.907 1.00 0.00 C ATOM 32 OE1 GLU A 27 -0.276 -14.826 13.533 1.00 0.00 O ATOM 33 OE2 GLU A 27 -2.248 -13.878 13.456 1.00 0.00 O ATOM 0 HA GLU A 27 -1.329 -14.277 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.936 -14.080 10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.398 -15.587 11.173 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.013 -14.271 11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.091 -12.894 11.204 1.00 0.00 H new ATOM 41 N LEU A 28 0.632 -15.662 8.320 1.00 0.00 N ATOM 42 CA LEU A 28 1.965 -16.222 8.206 1.00 0.00 C ATOM 43 C LEU A 28 3.014 -15.168 7.789 1.00 0.00 C ATOM 44 O LEU A 28 3.717 -15.328 6.788 1.00 0.00 O ATOM 45 CB LEU A 28 1.911 -17.548 7.409 1.00 0.00 C ATOM 46 CG LEU A 28 1.192 -17.647 6.044 1.00 0.00 C ATOM 47 CD1 LEU A 28 -0.322 -17.392 6.043 1.00 0.00 C ATOM 48 CD2 LEU A 28 1.788 -16.667 5.065 1.00 0.00 C ATOM 0 H LEU A 28 0.427 -14.976 7.593 1.00 0.00 H new ATOM 0 HA LEU A 28 2.346 -16.516 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.942 -17.861 7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.452 -18.290 8.062 1.00 0.00 H new ATOM 0 HG LEU A 28 1.341 -18.691 5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.707 -17.491 5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.814 -18.118 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.522 -16.385 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.272 -16.748 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.678 -15.654 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.846 -16.889 4.926 1.00 0.00 H new ATOM 60 N PRO A 29 3.147 -14.048 8.524 1.00 0.00 N ATOM 61 CA PRO A 29 4.070 -12.980 8.166 1.00 0.00 C ATOM 62 C PRO A 29 5.533 -13.413 8.280 1.00 0.00 C ATOM 63 O PRO A 29 5.943 -13.906 9.333 1.00 0.00 O ATOM 64 CB PRO A 29 3.809 -11.813 9.108 1.00 0.00 C ATOM 65 CG PRO A 29 3.059 -12.445 10.284 1.00 0.00 C ATOM 66 CD PRO A 29 2.417 -13.707 9.731 1.00 0.00 C ATOM 0 HA PRO A 29 3.903 -12.703 7.125 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.739 -11.347 9.432 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.214 -11.037 8.626 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.740 -12.678 11.103 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.306 -11.764 10.680 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.468 -14.518 10.457 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.362 -13.541 9.512 1.00 0.00 H new ATOM 74 N PRO A 30 6.339 -13.172 7.236 1.00 0.00 N ATOM 75 CA PRO A 30 7.778 -13.300 7.269 1.00 0.00 C ATOM 76 C PRO A 30 8.501 -11.998 7.645 1.00 0.00 C ATOM 77 O PRO A 30 9.719 -12.052 7.812 1.00 0.00 O ATOM 78 CB PRO A 30 8.124 -13.707 5.845 1.00 0.00 C ATOM 79 CG PRO A 30 7.158 -12.876 5.008 1.00 0.00 C ATOM 80 CD PRO A 30 5.912 -12.854 5.889 1.00 0.00 C ATOM 0 HA PRO A 30 8.095 -14.013 8.030 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.163 -13.484 5.603 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.981 -14.776 5.684 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.541 -11.873 4.818 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.963 -13.332 4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.435 -11.875 5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.178 -13.578 5.536 1.00 0.00 H new ATOM 88 N GLY A 31 7.839 -10.832 7.774 1.00 0.00 N ATOM 89 CA GLY A 31 8.524 -9.627 8.208 1.00 0.00 C ATOM 90 C GLY A 31 9.312 -9.103 7.023 1.00 0.00 C ATOM 91 O GLY A 31 10.496 -9.408 6.872 1.00 0.00 O ATOM 0 H GLY A 31 6.844 -10.712 7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.808 -8.881 8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.188 -9.843 9.045 1.00 0.00 H new ATOM 95 N THR A 32 8.629 -8.323 6.195 1.00 0.00 N ATOM 96 CA THR A 32 9.053 -7.866 4.886 1.00 0.00 C ATOM 97 C THR A 32 9.177 -9.035 3.901 1.00 0.00 C ATOM 98 O THR A 32 9.457 -10.184 4.258 1.00 0.00 O ATOM 99 CB THR A 32 10.279 -6.944 5.002 1.00 0.00 C ATOM 100 OG1 THR A 32 10.011 -6.002 6.024 1.00 0.00 O ATOM 101 CG2 THR A 32 10.621 -6.161 3.721 1.00 0.00 C ATOM 0 H THR A 32 7.703 -7.972 6.440 1.00 0.00 H new ATOM 0 HA THR A 32 8.282 -7.236 4.443 1.00 0.00 H new ATOM 0 HB THR A 32 11.134 -7.587 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.778 -5.400 6.123 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.498 -5.539 3.898 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.830 -6.861 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.777 -5.528 3.445 1.00 0.00 H new ATOM 109 N TYR A 33 8.816 -8.741 2.658 1.00 0.00 N ATOM 110 CA TYR A 33 8.907 -9.586 1.481 1.00 0.00 C ATOM 111 C TYR A 33 9.103 -8.620 0.297 1.00 0.00 C ATOM 112 O TYR A 33 9.149 -7.403 0.504 1.00 0.00 O ATOM 113 CB TYR A 33 7.667 -10.507 1.415 1.00 0.00 C ATOM 114 CG TYR A 33 6.395 -9.955 0.818 1.00 0.00 C ATOM 115 CD1 TYR A 33 5.818 -8.748 1.253 1.00 0.00 C ATOM 116 CD2 TYR A 33 5.739 -10.725 -0.149 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.586 -8.317 0.733 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.516 -10.294 -0.666 1.00 0.00 C ATOM 119 CZ TYR A 33 3.924 -9.095 -0.215 1.00 0.00 C ATOM 120 OH TYR A 33 2.698 -8.675 -0.626 1.00 0.00 O ATOM 0 H TYR A 33 8.420 -7.829 2.432 1.00 0.00 H new ATOM 0 HA TYR A 33 9.745 -10.283 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.943 -11.395 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.443 -10.835 2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.326 -8.148 1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.177 -11.650 -0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.153 -7.386 1.067 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.017 -10.885 -1.420 1.00 0.00 H new ATOM 0 HH TYR A 33 2.661 -8.683 -1.605 1.00 0.00 H new ATOM 130 N ARG A 34 9.269 -9.098 -0.934 1.00 0.00 N ATOM 131 CA ARG A 34 9.643 -8.250 -2.074 1.00 0.00 C ATOM 132 C ARG A 34 8.907 -8.746 -3.296 1.00 0.00 C ATOM 133 O ARG A 34 9.001 -9.940 -3.588 1.00 0.00 O ATOM 134 CB ARG A 34 11.165 -8.308 -2.244 1.00 0.00 C ATOM 135 CG ARG A 34 11.751 -7.371 -3.302 1.00 0.00 C ATOM 136 CD ARG A 34 11.496 -7.779 -4.760 1.00 0.00 C ATOM 137 NE ARG A 34 12.539 -7.229 -5.633 1.00 0.00 N ATOM 138 CZ ARG A 34 12.714 -7.493 -6.931 1.00 0.00 C ATOM 139 NH1 ARG A 34 11.813 -8.188 -7.617 1.00 0.00 N ATOM 140 NH2 ARG A 34 13.809 -7.039 -7.528 1.00 0.00 N ATOM 0 H ARG A 34 9.149 -10.082 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 34 9.366 -7.208 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.628 -8.078 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.445 -9.331 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.342 -6.373 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.827 -7.302 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.479 -8.866 -4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.518 -7.419 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 34 13.198 -6.578 -5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.971 -8.529 -7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.963 -8.380 -8.607 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.494 -6.502 -6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.965 -7.227 -8.518 1.00 0.00 H new ATOM 154 N VAL A 35 8.150 -7.864 -3.944 1.00 0.00 N ATOM 155 CA VAL A 35 7.136 -8.226 -4.926 1.00 0.00 C ATOM 156 C VAL A 35 6.950 -7.093 -5.936 1.00 0.00 C ATOM 157 O VAL A 35 7.440 -5.978 -5.710 1.00 0.00 O ATOM 158 CB VAL A 35 5.819 -8.550 -4.192 1.00 0.00 C ATOM 159 CG1 VAL A 35 5.993 -9.864 -3.428 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.349 -7.458 -3.214 1.00 0.00 C ATOM 0 H VAL A 35 8.227 -6.858 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 35 7.453 -9.109 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 35 5.048 -8.621 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.068 -10.105 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.232 -10.664 -4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.803 -9.761 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.417 -7.769 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.109 -7.304 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.188 -6.527 -3.758 1.00 0.00 H new ATOM 170 N ASP A 36 6.211 -7.344 -7.022 1.00 0.00 N ATOM 171 CA ASP A 36 5.548 -6.291 -7.765 1.00 0.00 C ATOM 172 C ASP A 36 4.247 -5.974 -7.049 1.00 0.00 C ATOM 173 O ASP A 36 3.659 -6.798 -6.344 1.00 0.00 O ATOM 174 CB ASP A 36 5.316 -6.604 -9.251 1.00 0.00 C ATOM 175 CG ASP A 36 4.669 -7.945 -9.564 1.00 0.00 C ATOM 176 OD1 ASP A 36 5.310 -8.987 -9.300 1.00 0.00 O ATOM 177 OD2 ASP A 36 3.567 -7.942 -10.138 1.00 0.00 O ATOM 0 H ASP A 36 6.062 -8.279 -7.401 1.00 0.00 H new ATOM 0 HA ASP A 36 6.209 -5.424 -7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.692 -5.816 -9.673 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.277 -6.559 -9.764 1.00 0.00 H new ATOM 183 N ILE A 37 3.843 -4.722 -7.182 1.00 0.00 N ATOM 184 CA ILE A 37 2.882 -4.066 -6.327 1.00 0.00 C ATOM 185 C ILE A 37 1.841 -3.534 -7.279 1.00 0.00 C ATOM 186 O ILE A 37 2.089 -2.565 -7.989 1.00 0.00 O ATOM 187 CB ILE A 37 3.588 -2.956 -5.526 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.635 -3.510 -4.534 1.00 0.00 C ATOM 189 CG2 ILE A 37 2.549 -2.092 -4.796 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.801 -2.532 -4.370 1.00 0.00 C ATOM 0 H ILE A 37 4.194 -4.114 -7.922 1.00 0.00 H new ATOM 0 HA ILE A 37 2.424 -4.720 -5.584 1.00 0.00 H new ATOM 0 HB ILE A 37 4.134 -2.339 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.166 -3.689 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.008 -4.470 -4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.058 -1.310 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.878 -1.637 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.973 -2.716 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.525 -2.944 -3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.282 -2.374 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.427 -1.581 -3.991 1.00 0.00 H new ATOM 202 N TYR A 38 0.737 -4.239 -7.413 1.00 0.00 N ATOM 203 CA TYR A 38 -0.316 -3.945 -8.358 1.00 0.00 C ATOM 204 C TYR A 38 -1.400 -3.121 -7.653 1.00 0.00 C ATOM 205 O TYR A 38 -1.543 -3.167 -6.424 1.00 0.00 O ATOM 206 CB TYR A 38 -0.819 -5.290 -8.906 1.00 0.00 C ATOM 207 CG TYR A 38 -0.302 -5.626 -10.302 1.00 0.00 C ATOM 208 CD1 TYR A 38 1.002 -6.122 -10.511 1.00 0.00 C ATOM 209 CD2 TYR A 38 -1.124 -5.400 -11.417 1.00 0.00 C ATOM 210 CE1 TYR A 38 1.462 -6.371 -11.817 1.00 0.00 C ATOM 211 CE2 TYR A 38 -0.670 -5.631 -12.727 1.00 0.00 C ATOM 212 CZ TYR A 38 0.636 -6.117 -12.932 1.00 0.00 C ATOM 213 OH TYR A 38 1.093 -6.331 -14.192 1.00 0.00 O ATOM 0 H TYR A 38 0.543 -5.063 -6.844 1.00 0.00 H new ATOM 0 HA TYR A 38 0.024 -3.343 -9.201 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.523 -6.083 -8.220 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.909 -5.277 -8.927 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.648 -6.311 -9.667 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.131 -5.040 -11.265 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.458 -6.761 -11.968 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.317 -5.437 -13.570 1.00 0.00 H new ATOM 0 HH TYR A 38 0.391 -6.105 -14.837 1.00 0.00 H new ATOM 223 N LEU A 39 -2.159 -2.332 -8.408 1.00 0.00 N ATOM 224 CA LEU A 39 -3.352 -1.635 -7.940 1.00 0.00 C ATOM 225 C LEU A 39 -4.339 -1.618 -9.089 1.00 0.00 C ATOM 226 O LEU A 39 -3.935 -1.359 -10.220 1.00 0.00 O ATOM 227 CB LEU A 39 -3.022 -0.203 -7.501 1.00 0.00 C ATOM 228 CG LEU A 39 -4.256 0.580 -7.019 1.00 0.00 C ATOM 229 CD1 LEU A 39 -4.018 1.194 -5.651 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.614 1.719 -7.981 1.00 0.00 C ATOM 0 H LEU A 39 -1.954 -2.155 -9.391 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.769 -2.146 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.284 -0.236 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.564 0.330 -8.334 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.073 -0.140 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.908 1.741 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.804 0.405 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.171 1.878 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.490 2.249 -7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.775 2.411 -8.054 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.832 1.308 -8.967 1.00 0.00 H new ATOM 242 N ASN A 40 -5.613 -1.886 -8.799 1.00 0.00 N ATOM 243 CA ASN A 40 -6.700 -2.017 -9.776 1.00 0.00 C ATOM 244 C ASN A 40 -6.233 -2.729 -11.049 1.00 0.00 C ATOM 245 O ASN A 40 -6.462 -2.245 -12.159 1.00 0.00 O ATOM 246 CB ASN A 40 -7.352 -0.654 -10.090 1.00 0.00 C ATOM 247 CG ASN A 40 -8.041 -0.012 -8.900 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.459 -0.689 -7.959 1.00 0.00 O ATOM 249 ND2 ASN A 40 -8.166 1.297 -8.911 1.00 0.00 N ATOM 0 H ASN A 40 -5.931 -2.024 -7.840 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.468 -2.643 -9.321 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.587 0.026 -10.464 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.080 -0.786 -10.891 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.617 1.773 -8.129 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.812 1.836 -9.701 1.00 0.00 H new ATOM 256 N ASN A 41 -5.557 -3.872 -10.885 1.00 0.00 N ATOM 257 CA ASN A 41 -4.957 -4.687 -11.943 1.00 0.00 C ATOM 258 C ASN A 41 -4.173 -3.863 -12.962 1.00 0.00 C ATOM 259 O ASN A 41 -4.314 -4.018 -14.179 1.00 0.00 O ATOM 260 CB ASN A 41 -6.015 -5.560 -12.603 1.00 0.00 C ATOM 261 CG ASN A 41 -6.102 -6.919 -11.939 1.00 0.00 C ATOM 262 OD1 ASN A 41 -6.765 -7.091 -10.921 1.00 0.00 O ATOM 263 ND2 ASN A 41 -5.360 -7.894 -12.435 1.00 0.00 N ATOM 0 H ASN A 41 -5.407 -4.273 -9.959 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.220 -5.338 -11.472 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.984 -5.064 -12.549 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.779 -5.684 -13.660 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.334 -8.802 -11.971 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.813 -7.738 -13.282 1.00 0.00 H new ATOM 270 N GLY A 42 -3.321 -2.992 -12.452 1.00 0.00 N ATOM 271 CA GLY A 42 -2.331 -2.286 -13.213 1.00 0.00 C ATOM 272 C GLY A 42 -1.046 -2.219 -12.381 1.00 0.00 C ATOM 273 O GLY A 42 -1.078 -2.458 -11.167 1.00 0.00 O ATOM 0 H GLY A 42 -3.307 -2.755 -11.460 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.145 -2.794 -14.159 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.681 -1.282 -13.454 1.00 0.00 H new ATOM 277 N TYR A 43 0.093 -2.001 -13.041 1.00 0.00 N ATOM 278 CA TYR A 43 1.422 -2.194 -12.463 1.00 0.00 C ATOM 279 C TYR A 43 1.933 -0.894 -11.828 1.00 0.00 C ATOM 280 O TYR A 43 2.021 0.140 -12.503 1.00 0.00 O ATOM 281 CB TYR A 43 2.372 -2.728 -13.548 1.00 0.00 C ATOM 282 CG TYR A 43 3.843 -2.692 -13.175 1.00 0.00 C ATOM 283 CD1 TYR A 43 4.412 -3.750 -12.447 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.638 -1.582 -13.520 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.698 -3.629 -11.897 1.00 0.00 C ATOM 286 CE2 TYR A 43 5.966 -1.501 -13.069 1.00 0.00 C ATOM 287 CZ TYR A 43 6.484 -2.497 -12.209 1.00 0.00 C ATOM 288 OH TYR A 43 7.716 -2.341 -11.653 1.00 0.00 O ATOM 0 H TYR A 43 0.117 -1.680 -14.009 1.00 0.00 H new ATOM 0 HA TYR A 43 1.373 -2.931 -11.662 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.095 -3.756 -13.781 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.227 -2.145 -14.458 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.855 -4.665 -12.309 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.227 -0.793 -14.132 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.083 -4.395 -11.241 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.592 -0.677 -13.379 1.00 0.00 H new ATOM 0 HH TYR A 43 7.906 -3.099 -11.061 1.00 0.00 H new ATOM 298 N MET A 44 2.286 -0.926 -10.536 1.00 0.00 N ATOM 299 CA MET A 44 2.594 0.282 -9.768 1.00 0.00 C ATOM 300 C MET A 44 4.077 0.380 -9.422 1.00 0.00 C ATOM 301 O MET A 44 4.667 1.451 -9.551 1.00 0.00 O ATOM 302 CB MET A 44 1.739 0.429 -8.495 1.00 0.00 C ATOM 303 CG MET A 44 0.257 0.058 -8.626 1.00 0.00 C ATOM 304 SD MET A 44 -0.587 0.453 -10.184 1.00 0.00 S ATOM 305 CE MET A 44 -1.102 2.144 -9.885 1.00 0.00 C ATOM 0 H MET A 44 2.365 -1.789 -9.998 1.00 0.00 H new ATOM 0 HA MET A 44 2.337 1.111 -10.427 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.179 -0.191 -7.714 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.804 1.463 -8.156 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.166 -1.015 -8.460 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.283 0.553 -7.819 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.710 2.492 -10.720 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.687 2.189 -8.966 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.222 2.780 -9.787 1.00 0.00 H new ATOM 315 N ALA A 45 4.693 -0.706 -8.949 1.00 0.00 N ATOM 316 CA ALA A 45 6.103 -0.732 -8.551 1.00 0.00 C ATOM 317 C ALA A 45 6.607 -2.168 -8.400 1.00 0.00 C ATOM 318 O ALA A 45 5.815 -3.108 -8.412 1.00 0.00 O ATOM 319 CB ALA A 45 6.273 0.017 -7.218 1.00 0.00 C ATOM 0 H ALA A 45 4.221 -1.603 -8.830 1.00 0.00 H new ATOM 0 HA ALA A 45 6.689 -0.244 -9.330 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.322 -0.002 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.948 1.051 -7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.670 -0.466 -6.450 1.00 0.00 H new ATOM 325 N THR A 46 7.912 -2.329 -8.174 1.00 0.00 N ATOM 326 CA THR A 46 8.536 -3.556 -7.700 1.00 0.00 C ATOM 327 C THR A 46 9.567 -3.153 -6.646 1.00 0.00 C ATOM 328 O THR A 46 10.610 -2.603 -7.005 1.00 0.00 O ATOM 329 CB THR A 46 9.183 -4.322 -8.865 1.00 0.00 C ATOM 330 OG1 THR A 46 8.266 -4.555 -9.923 1.00 0.00 O ATOM 331 CG2 THR A 46 9.758 -5.665 -8.418 1.00 0.00 C ATOM 0 H THR A 46 8.585 -1.577 -8.323 1.00 0.00 H new ATOM 0 HA THR A 46 7.798 -4.229 -7.264 1.00 0.00 H new ATOM 0 HB THR A 46 9.991 -3.684 -9.222 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.716 -5.043 -10.644 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.205 -6.172 -9.273 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.519 -5.499 -7.656 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.960 -6.283 -8.006 1.00 0.00 H new ATOM 339 N ARG A 47 9.253 -3.327 -5.358 1.00 0.00 N ATOM 340 CA ARG A 47 10.107 -2.929 -4.237 1.00 0.00 C ATOM 341 C ARG A 47 9.855 -3.882 -3.056 1.00 0.00 C ATOM 342 O ARG A 47 9.092 -4.845 -3.174 1.00 0.00 O ATOM 343 CB ARG A 47 9.842 -1.460 -3.826 1.00 0.00 C ATOM 344 CG ARG A 47 10.070 -0.349 -4.872 1.00 0.00 C ATOM 345 CD ARG A 47 11.547 -0.110 -5.228 1.00 0.00 C ATOM 346 NE ARG A 47 11.697 0.924 -6.270 1.00 0.00 N ATOM 347 CZ ARG A 47 12.841 1.242 -6.902 1.00 0.00 C ATOM 348 NH1 ARG A 47 13.993 0.706 -6.522 1.00 0.00 N ATOM 349 NH2 ARG A 47 12.836 2.118 -7.904 1.00 0.00 N ATOM 0 H ARG A 47 8.378 -3.758 -5.061 1.00 0.00 H new ATOM 0 HA ARG A 47 11.152 -2.994 -4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.807 -1.392 -3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.472 -1.238 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.526 -0.605 -5.781 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.644 0.581 -4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.092 0.192 -4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.993 -1.042 -5.574 1.00 0.00 H new ATOM 0 HE ARG A 47 10.860 1.443 -6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.017 0.046 -5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.855 0.953 -7.007 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.961 2.553 -8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.707 2.355 -8.379 1.00 0.00 H new ATOM 363 N ASP A 48 10.511 -3.619 -1.929 1.00 0.00 N ATOM 364 CA ASP A 48 10.482 -4.349 -0.668 1.00 0.00 C ATOM 365 C ASP A 48 9.326 -3.796 0.176 1.00 0.00 C ATOM 366 O ASP A 48 9.158 -2.578 0.315 1.00 0.00 O ATOM 367 CB ASP A 48 11.845 -4.220 0.042 1.00 0.00 C ATOM 368 CG ASP A 48 13.020 -4.157 -0.943 1.00 0.00 C ATOM 369 OD1 ASP A 48 13.284 -3.036 -1.439 1.00 0.00 O ATOM 370 OD2 ASP A 48 13.556 -5.203 -1.377 1.00 0.00 O ATOM 0 H ASP A 48 11.134 -2.814 -1.872 1.00 0.00 H new ATOM 0 HA ASP A 48 10.313 -5.413 -0.831 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.845 -3.322 0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.983 -5.068 0.713 1.00 0.00 H new ATOM 376 N VAL A 49 8.494 -4.684 0.715 1.00 0.00 N ATOM 377 CA VAL A 49 7.153 -4.420 1.230 1.00 0.00 C ATOM 378 C VAL A 49 7.080 -5.005 2.643 1.00 0.00 C ATOM 379 O VAL A 49 7.175 -6.214 2.821 1.00 0.00 O ATOM 380 CB VAL A 49 6.107 -5.031 0.271 1.00 0.00 C ATOM 381 CG1 VAL A 49 4.661 -4.788 0.725 1.00 0.00 C ATOM 382 CG2 VAL A 49 6.230 -4.461 -1.151 1.00 0.00 C ATOM 0 H VAL A 49 8.754 -5.666 0.809 1.00 0.00 H new ATOM 0 HA VAL A 49 6.938 -3.353 1.286 1.00 0.00 H new ATOM 0 HB VAL A 49 6.321 -6.100 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.974 -5.241 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.508 -5.234 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.472 -3.716 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.476 -4.918 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.079 -3.382 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.222 -4.679 -1.546 1.00 0.00 H new ATOM 392 N THR A 50 6.954 -4.172 3.668 1.00 0.00 N ATOM 393 CA THR A 50 6.758 -4.575 5.061 1.00 0.00 C ATOM 394 C THR A 50 5.264 -4.782 5.250 1.00 0.00 C ATOM 395 O THR A 50 4.467 -3.979 4.758 1.00 0.00 O ATOM 396 CB THR A 50 7.213 -3.440 6.001 1.00 0.00 C ATOM 397 OG1 THR A 50 8.404 -2.828 5.555 1.00 0.00 O ATOM 398 CG2 THR A 50 7.426 -3.968 7.420 1.00 0.00 C ATOM 0 H THR A 50 6.986 -3.159 3.551 1.00 0.00 H new ATOM 0 HA THR A 50 7.328 -5.476 5.286 1.00 0.00 H new ATOM 0 HB THR A 50 6.419 -2.693 5.998 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.657 -2.114 6.176 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.747 -3.152 8.068 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.492 -4.385 7.797 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.191 -4.744 7.408 1.00 0.00 H new ATOM 406 N PHE A 51 4.883 -5.845 5.955 1.00 0.00 N ATOM 407 CA PHE A 51 3.547 -6.161 6.389 1.00 0.00 C ATOM 408 C PHE A 51 3.676 -6.987 7.656 1.00 0.00 C ATOM 409 O PHE A 51 4.707 -7.620 7.905 1.00 0.00 O ATOM 410 CB PHE A 51 2.778 -6.943 5.316 1.00 0.00 C ATOM 411 CG PHE A 51 3.388 -8.238 4.824 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.767 -8.387 4.553 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.525 -9.321 4.604 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.290 -9.625 4.191 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.040 -10.548 4.167 1.00 0.00 C ATOM 416 CZ PHE A 51 4.418 -10.692 4.001 1.00 0.00 C ATOM 0 H PHE A 51 5.556 -6.551 6.253 1.00 0.00 H new ATOM 0 HA PHE A 51 2.985 -5.245 6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.786 -7.166 5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.640 -6.288 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.422 -7.531 4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.464 -9.209 4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.354 -9.755 4.060 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.377 -11.375 3.960 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.817 -11.655 3.718 1.00 0.00 H new ATOM 426 N ASN A 52 2.615 -6.947 8.448 1.00 0.00 N ATOM 427 CA ASN A 52 2.465 -7.504 9.784 1.00 0.00 C ATOM 428 C ASN A 52 0.984 -7.384 10.130 1.00 0.00 C ATOM 429 O ASN A 52 0.219 -6.834 9.338 1.00 0.00 O ATOM 430 CB ASN A 52 3.316 -6.736 10.798 1.00 0.00 C ATOM 431 CG ASN A 52 3.208 -5.229 10.635 1.00 0.00 C ATOM 432 OD1 ASN A 52 2.161 -4.630 10.850 1.00 0.00 O ATOM 433 ND2 ASN A 52 4.262 -4.603 10.138 1.00 0.00 N ATOM 0 H ASN A 52 1.760 -6.482 8.144 1.00 0.00 H new ATOM 0 HA ASN A 52 2.800 -8.541 9.815 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.008 -7.011 11.807 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.359 -7.035 10.691 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.211 -3.606 9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.126 -5.117 9.965 1.00 0.00 H new ATOM 440 N THR A 53 0.567 -7.959 11.248 1.00 0.00 N ATOM 441 CA THR A 53 -0.829 -8.165 11.613 1.00 0.00 C ATOM 442 C THR A 53 -1.600 -6.846 11.731 1.00 0.00 C ATOM 443 O THR A 53 -1.025 -5.829 12.122 1.00 0.00 O ATOM 444 CB THR A 53 -0.875 -8.988 12.916 1.00 0.00 C ATOM 445 OG1 THR A 53 0.289 -8.767 13.702 1.00 0.00 O ATOM 446 CG2 THR A 53 -0.927 -10.480 12.578 1.00 0.00 C ATOM 0 H THR A 53 1.215 -8.309 11.954 1.00 0.00 H new ATOM 0 HA THR A 53 -1.331 -8.718 10.819 1.00 0.00 H new ATOM 0 HB THR A 53 -1.759 -8.678 13.473 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.235 -9.299 14.523 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.959 -11.061 13.500 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.818 -10.688 11.986 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.040 -10.755 12.007 1.00 0.00 H new ATOM 454 N GLY A 54 -2.895 -6.881 11.418 1.00 0.00 N ATOM 455 CA GLY A 54 -3.823 -5.788 11.626 1.00 0.00 C ATOM 456 C GLY A 54 -5.253 -6.263 11.403 1.00 0.00 C ATOM 457 O GLY A 54 -5.900 -6.707 12.349 1.00 0.00 O ATOM 0 H GLY A 54 -3.334 -7.701 10.999 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.715 -5.397 12.638 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.593 -4.971 10.943 1.00 0.00 H new ATOM 461 N ASP A 55 -5.761 -6.161 10.174 1.00 0.00 N ATOM 462 CA ASP A 55 -7.101 -6.612 9.785 1.00 0.00 C ATOM 463 C ASP A 55 -7.101 -6.777 8.265 1.00 0.00 C ATOM 464 O ASP A 55 -6.938 -5.776 7.558 1.00 0.00 O ATOM 465 CB ASP A 55 -8.163 -5.591 10.229 1.00 0.00 C ATOM 466 CG ASP A 55 -9.577 -5.969 9.775 1.00 0.00 C ATOM 467 OD1 ASP A 55 -9.888 -5.832 8.568 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.443 -6.245 10.634 1.00 0.00 O ATOM 0 H ASP A 55 -5.239 -5.751 9.399 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.346 -7.558 10.268 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.146 -5.505 11.315 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.908 -4.610 9.828 1.00 0.00 H new ATOM 474 N SER A 56 -7.163 -8.016 7.767 1.00 0.00 N ATOM 475 CA SER A 56 -7.194 -8.458 6.368 1.00 0.00 C ATOM 476 C SER A 56 -7.338 -9.993 6.332 1.00 0.00 C ATOM 477 O SER A 56 -7.434 -10.635 7.377 1.00 0.00 O ATOM 478 CB SER A 56 -5.920 -8.018 5.631 1.00 0.00 C ATOM 479 OG SER A 56 -5.971 -6.641 5.325 1.00 0.00 O ATOM 0 H SER A 56 -7.196 -8.817 8.398 1.00 0.00 H new ATOM 0 HA SER A 56 -8.044 -8.000 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.046 -8.226 6.249 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.807 -8.596 4.714 1.00 0.00 H new ATOM 0 HG SER A 56 -6.613 -6.198 5.918 1.00 0.00 H new ATOM 485 N GLU A 57 -7.331 -10.598 5.142 1.00 0.00 N ATOM 486 CA GLU A 57 -7.518 -12.034 4.927 1.00 0.00 C ATOM 487 C GLU A 57 -6.480 -12.884 5.672 1.00 0.00 C ATOM 488 O GLU A 57 -6.854 -13.718 6.493 1.00 0.00 O ATOM 489 CB GLU A 57 -7.505 -12.312 3.420 1.00 0.00 C ATOM 490 CG GLU A 57 -7.751 -13.793 3.108 1.00 0.00 C ATOM 491 CD GLU A 57 -7.989 -14.059 1.621 1.00 0.00 C ATOM 492 OE1 GLU A 57 -8.734 -15.016 1.299 1.00 0.00 O ATOM 493 OE2 GLU A 57 -7.484 -13.329 0.739 1.00 0.00 O ATOM 0 H GLU A 57 -7.190 -10.084 4.272 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.482 -12.325 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.270 -11.707 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.545 -12.008 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.893 -14.376 3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.614 -14.140 3.676 1.00 0.00 H new ATOM 501 N GLN A 58 -5.181 -12.674 5.436 1.00 0.00 N ATOM 502 CA GLN A 58 -4.116 -13.305 6.218 1.00 0.00 C ATOM 503 C GLN A 58 -3.886 -12.524 7.528 1.00 0.00 C ATOM 504 O GLN A 58 -2.827 -12.663 8.131 1.00 0.00 O ATOM 505 CB GLN A 58 -2.832 -13.447 5.376 1.00 0.00 C ATOM 506 CG GLN A 58 -3.001 -14.509 4.283 1.00 0.00 C ATOM 507 CD GLN A 58 -3.335 -13.901 2.930 1.00 0.00 C ATOM 508 OE1 GLN A 58 -4.488 -13.850 2.517 1.00 0.00 O ATOM 509 NE2 GLN A 58 -2.355 -13.436 2.185 1.00 0.00 N ATOM 0 H GLN A 58 -4.839 -12.061 4.696 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.420 -14.315 6.494 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.585 -12.488 4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.997 -13.717 6.023 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.083 -15.090 4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.792 -15.201 4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.394 -13.476 2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.557 -13.036 1.269 1.00 0.00 H new ATOM 518 N GLY A 59 -4.788 -11.626 7.932 1.00 0.00 N ATOM 519 CA GLY A 59 -4.667 -10.713 9.063 1.00 0.00 C ATOM 520 C GLY A 59 -3.707 -9.568 8.767 1.00 0.00 C ATOM 521 O GLY A 59 -3.913 -8.437 9.197 1.00 0.00 O ATOM 0 H GLY A 59 -5.677 -11.513 7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.649 -10.309 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.319 -11.262 9.938 1.00 0.00 H new ATOM 525 N ILE A 60 -2.649 -9.851 8.016 1.00 0.00 N ATOM 526 CA ILE A 60 -1.550 -8.950 7.782 1.00 0.00 C ATOM 527 C ILE A 60 -1.855 -7.901 6.724 1.00 0.00 C ATOM 528 O ILE A 60 -2.490 -8.169 5.705 1.00 0.00 O ATOM 529 CB ILE A 60 -0.278 -9.736 7.435 1.00 0.00 C ATOM 530 CG1 ILE A 60 -0.453 -10.786 6.313 1.00 0.00 C ATOM 531 CG2 ILE A 60 0.301 -10.387 8.687 1.00 0.00 C ATOM 532 CD1 ILE A 60 0.731 -11.750 6.174 1.00 0.00 C ATOM 0 H ILE A 60 -2.538 -10.747 7.541 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.385 -8.403 8.710 1.00 0.00 H new ATOM 0 HB ILE A 60 0.420 -8.999 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.358 -11.363 6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.601 -10.269 5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.203 -10.941 8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.548 -9.616 9.417 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.433 -11.070 9.115 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.533 -12.455 5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.636 -11.185 5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.867 -12.296 7.108 1.00 0.00 H new ATOM 544 N VAL A 61 -1.296 -6.722 6.958 1.00 0.00 N ATOM 545 CA VAL A 61 -1.530 -5.466 6.277 1.00 0.00 C ATOM 546 C VAL A 61 -0.167 -4.839 5.974 1.00 0.00 C ATOM 547 O VAL A 61 0.683 -4.793 6.873 1.00 0.00 O ATOM 548 CB VAL A 61 -2.370 -4.554 7.197 1.00 0.00 C ATOM 549 CG1 VAL A 61 -3.831 -5.006 7.181 1.00 0.00 C ATOM 550 CG2 VAL A 61 -1.900 -4.535 8.666 1.00 0.00 C ATOM 0 H VAL A 61 -0.603 -6.616 7.699 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.076 -5.609 5.344 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.247 -3.547 6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.419 -4.359 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.219 -4.947 6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.898 -6.035 7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.542 -3.871 9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.954 -5.543 9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.871 -4.178 8.714 1.00 0.00 H new ATOM 560 N PRO A 62 0.104 -4.388 4.741 1.00 0.00 N ATOM 561 CA PRO A 62 1.369 -3.749 4.436 1.00 0.00 C ATOM 562 C PRO A 62 1.422 -2.310 4.964 1.00 0.00 C ATOM 563 O PRO A 62 0.407 -1.611 5.027 1.00 0.00 O ATOM 564 CB PRO A 62 1.517 -3.868 2.917 1.00 0.00 C ATOM 565 CG PRO A 62 0.074 -3.873 2.416 1.00 0.00 C ATOM 566 CD PRO A 62 -0.700 -4.552 3.541 1.00 0.00 C ATOM 0 HA PRO A 62 2.213 -4.227 4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.083 -3.034 2.502 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.043 -4.780 2.635 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.290 -2.862 2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.022 -4.420 1.478 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.683 -4.099 3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.861 -5.607 3.321 1.00 0.00 H new ATOM 574 N CYS A 63 2.622 -1.847 5.322 1.00 0.00 N ATOM 575 CA CYS A 63 2.913 -0.441 5.560 1.00 0.00 C ATOM 576 C CYS A 63 2.709 0.301 4.245 1.00 0.00 C ATOM 577 O CYS A 63 3.533 0.152 3.345 1.00 0.00 O ATOM 578 CB CYS A 63 4.359 -0.234 6.043 1.00 0.00 C ATOM 579 SG CYS A 63 4.804 1.517 6.259 1.00 0.00 S ATOM 0 H CYS A 63 3.430 -2.455 5.456 1.00 0.00 H new ATOM 0 HA CYS A 63 2.250 -0.064 6.339 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.496 -0.756 6.990 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.042 -0.689 5.326 1.00 0.00 H new ATOM 0 HG CYS A 63 5.207 2.006 5.124 1.00 0.00 H new ATOM 585 N LEU A 64 1.634 1.082 4.123 1.00 0.00 N ATOM 586 CA LEU A 64 1.347 1.901 2.954 1.00 0.00 C ATOM 587 C LEU A 64 1.062 3.299 3.481 1.00 0.00 C ATOM 588 O LEU A 64 0.118 3.461 4.252 1.00 0.00 O ATOM 589 CB LEU A 64 0.128 1.372 2.184 1.00 0.00 C ATOM 590 CG LEU A 64 0.137 -0.107 1.767 1.00 0.00 C ATOM 591 CD1 LEU A 64 -1.164 -0.419 1.023 1.00 0.00 C ATOM 592 CD2 LEU A 64 1.314 -0.460 0.859 1.00 0.00 C ATOM 0 H LEU A 64 0.926 1.161 4.853 1.00 0.00 H new ATOM 0 HA LEU A 64 2.187 1.888 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.757 1.543 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.012 1.974 1.283 1.00 0.00 H new ATOM 0 HG LEU A 64 0.233 -0.700 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.169 -1.467 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.013 -0.226 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.238 0.213 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.267 -1.517 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.266 0.141 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.249 -0.256 1.380 1.00 0.00 H new ATOM 604 N THR A 65 1.889 4.289 3.159 1.00 0.00 N ATOM 605 CA THR A 65 1.792 5.603 3.795 1.00 0.00 C ATOM 606 C THR A 65 1.134 6.613 2.858 1.00 0.00 C ATOM 607 O THR A 65 0.695 6.226 1.778 1.00 0.00 O ATOM 608 CB THR A 65 3.162 6.040 4.289 1.00 0.00 C ATOM 609 OG1 THR A 65 3.955 6.396 3.165 1.00 0.00 O ATOM 610 CG2 THR A 65 3.813 4.912 5.100 1.00 0.00 C ATOM 0 H THR A 65 2.632 4.209 2.464 1.00 0.00 H new ATOM 0 HA THR A 65 1.144 5.542 4.669 1.00 0.00 H new ATOM 0 HB THR A 65 3.071 6.904 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.402 7.251 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.794 5.234 5.449 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.184 4.670 5.957 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.924 4.029 4.471 1.00 0.00 H new ATOM 618 N ARG A 66 1.034 7.909 3.205 1.00 0.00 N ATOM 619 CA ARG A 66 0.489 8.857 2.223 1.00 0.00 C ATOM 620 C ARG A 66 1.353 8.846 0.976 1.00 0.00 C ATOM 621 O ARG A 66 0.845 8.835 -0.139 1.00 0.00 O ATOM 622 CB ARG A 66 0.564 10.350 2.656 1.00 0.00 C ATOM 623 CG ARG A 66 -0.199 10.974 3.814 1.00 0.00 C ATOM 624 CD ARG A 66 -1.379 10.190 4.343 1.00 0.00 C ATOM 625 NE ARG A 66 -0.951 9.089 5.209 1.00 0.00 N ATOM 626 CZ ARG A 66 -0.352 9.248 6.391 1.00 0.00 C ATOM 627 NH1 ARG A 66 -0.254 10.444 6.961 1.00 0.00 N ATOM 628 NH2 ARG A 66 0.180 8.195 6.990 1.00 0.00 N ATOM 0 H ARG A 66 1.306 8.306 4.104 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.545 8.536 2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.617 10.549 2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.290 10.929 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.499 11.136 4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.554 11.955 3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.039 10.856 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.957 9.793 3.508 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.122 8.136 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.641 11.264 6.495 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.208 10.542 7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.129 7.277 6.548 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.641 8.301 7.894 1.00 0.00 H new ATOM 642 N ALA A 67 2.656 8.957 1.205 1.00 0.00 N ATOM 643 CA ALA A 67 3.636 9.229 0.188 1.00 0.00 C ATOM 644 C ALA A 67 3.631 8.068 -0.774 1.00 0.00 C ATOM 645 O ALA A 67 3.390 8.254 -1.968 1.00 0.00 O ATOM 646 CB ALA A 67 4.992 9.391 0.854 1.00 0.00 C ATOM 0 H ALA A 67 3.061 8.855 2.136 1.00 0.00 H new ATOM 0 HA ALA A 67 3.413 10.146 -0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.747 9.598 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.953 10.218 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.250 8.473 1.382 1.00 0.00 H new ATOM 652 N GLN A 68 3.829 6.866 -0.236 1.00 0.00 N ATOM 653 CA GLN A 68 3.796 5.686 -1.068 1.00 0.00 C ATOM 654 C GLN A 68 2.422 5.572 -1.730 1.00 0.00 C ATOM 655 O GLN A 68 2.396 5.490 -2.951 1.00 0.00 O ATOM 656 CB GLN A 68 4.275 4.457 -0.279 1.00 0.00 C ATOM 657 CG GLN A 68 5.739 4.113 -0.626 1.00 0.00 C ATOM 658 CD GLN A 68 6.705 5.303 -0.666 1.00 0.00 C ATOM 659 OE1 GLN A 68 7.139 5.699 -1.750 1.00 0.00 O ATOM 660 NE2 GLN A 68 7.027 5.922 0.460 1.00 0.00 N ATOM 0 H GLN A 68 4.010 6.694 0.753 1.00 0.00 H new ATOM 0 HA GLN A 68 4.505 5.758 -1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.187 4.650 0.790 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.634 3.604 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.108 3.393 0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.757 3.620 -1.598 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.661 5.584 1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.641 6.736 0.437 1.00 0.00 H new ATOM 669 N LEU A 69 1.297 5.666 -1.005 1.00 0.00 N ATOM 670 CA LEU A 69 -0.031 5.482 -1.606 1.00 0.00 C ATOM 671 C LEU A 69 -0.312 6.418 -2.787 1.00 0.00 C ATOM 672 O LEU A 69 -0.900 6.005 -3.795 1.00 0.00 O ATOM 673 CB LEU A 69 -1.158 5.596 -0.577 1.00 0.00 C ATOM 674 CG LEU A 69 -1.306 4.384 0.359 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.375 4.688 1.412 1.00 0.00 C ATOM 676 CD2 LEU A 69 -1.721 3.117 -0.401 1.00 0.00 C ATOM 0 H LEU A 69 1.281 5.868 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.011 4.465 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.988 6.486 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.099 5.745 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.335 4.205 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.484 3.832 2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.077 5.562 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.326 4.886 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.814 2.287 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.679 3.285 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.966 2.878 -1.150 1.00 0.00 H new ATOM 688 N ALA A 70 0.098 7.681 -2.681 1.00 0.00 N ATOM 689 CA ALA A 70 -0.092 8.652 -3.746 1.00 0.00 C ATOM 690 C ALA A 70 0.668 8.265 -5.015 1.00 0.00 C ATOM 691 O ALA A 70 0.204 8.595 -6.107 1.00 0.00 O ATOM 692 CB ALA A 70 0.373 10.014 -3.263 1.00 0.00 C ATOM 0 H ALA A 70 0.569 8.054 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.152 8.679 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.234 10.748 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.209 10.309 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.429 9.964 -2.996 1.00 0.00 H new ATOM 698 N SER A 71 1.781 7.534 -4.891 1.00 0.00 N ATOM 699 CA SER A 71 2.564 7.034 -6.010 1.00 0.00 C ATOM 700 C SER A 71 1.680 6.185 -6.925 1.00 0.00 C ATOM 701 O SER A 71 1.745 6.356 -8.146 1.00 0.00 O ATOM 702 CB SER A 71 3.754 6.215 -5.492 1.00 0.00 C ATOM 703 OG SER A 71 4.764 6.091 -6.475 1.00 0.00 O ATOM 0 H SER A 71 2.166 7.271 -3.984 1.00 0.00 H new ATOM 0 HA SER A 71 2.949 7.876 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.166 6.692 -4.603 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.413 5.224 -5.192 1.00 0.00 H new ATOM 0 HG SER A 71 5.509 5.566 -6.114 1.00 0.00 H new ATOM 709 N MET A 72 0.842 5.311 -6.354 1.00 0.00 N ATOM 710 CA MET A 72 -0.082 4.480 -7.107 1.00 0.00 C ATOM 711 C MET A 72 -1.262 5.313 -7.605 1.00 0.00 C ATOM 712 O MET A 72 -1.777 5.037 -8.687 1.00 0.00 O ATOM 713 CB MET A 72 -0.544 3.282 -6.266 1.00 0.00 C ATOM 714 CG MET A 72 0.635 2.521 -5.637 1.00 0.00 C ATOM 715 SD MET A 72 1.054 3.081 -3.976 1.00 0.00 S ATOM 716 CE MET A 72 2.699 2.375 -3.706 1.00 0.00 C ATOM 0 H MET A 72 0.792 5.166 -5.346 1.00 0.00 H new ATOM 0 HA MET A 72 0.434 4.083 -7.981 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.211 3.630 -5.477 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.120 2.601 -6.893 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.394 1.459 -5.603 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.509 2.629 -6.279 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.057 2.655 -2.715 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.645 1.289 -3.779 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.387 2.756 -4.461 1.00 0.00 H new ATOM 726 N GLY A 73 -1.643 6.369 -6.879 1.00 0.00 N ATOM 727 CA GLY A 73 -2.616 7.361 -7.325 1.00 0.00 C ATOM 728 C GLY A 73 -3.685 7.669 -6.283 1.00 0.00 C ATOM 729 O GLY A 73 -4.763 8.125 -6.647 1.00 0.00 O ATOM 0 H GLY A 73 -1.274 6.558 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.093 8.282 -7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.098 7.003 -8.235 1.00 0.00 H new ATOM 733 N LEU A 74 -3.460 7.363 -5.004 1.00 0.00 N ATOM 734 CA LEU A 74 -4.464 7.483 -3.950 1.00 0.00 C ATOM 735 C LEU A 74 -4.558 8.912 -3.415 1.00 0.00 C ATOM 736 O LEU A 74 -3.562 9.494 -2.984 1.00 0.00 O ATOM 737 CB LEU A 74 -4.056 6.520 -2.847 1.00 0.00 C ATOM 738 CG LEU A 74 -4.961 6.378 -1.613 1.00 0.00 C ATOM 739 CD1 LEU A 74 -4.544 7.279 -0.462 1.00 0.00 C ATOM 740 CD2 LEU A 74 -6.461 6.523 -1.774 1.00 0.00 C ATOM 0 H LEU A 74 -2.560 7.020 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.452 7.241 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.951 5.532 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.067 6.818 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.790 5.321 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.222 7.132 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.527 7.032 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.583 8.320 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.945 6.394 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.691 7.514 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.827 5.765 -2.467 1.00 0.00 H new ATOM 752 N ASN A 75 -5.780 9.439 -3.368 1.00 0.00 N ATOM 753 CA ASN A 75 -6.107 10.748 -2.822 1.00 0.00 C ATOM 754 C ASN A 75 -6.186 10.668 -1.298 1.00 0.00 C ATOM 755 O ASN A 75 -7.256 10.446 -0.727 1.00 0.00 O ATOM 756 CB ASN A 75 -7.444 11.263 -3.382 1.00 0.00 C ATOM 757 CG ASN A 75 -7.626 12.749 -3.088 1.00 0.00 C ATOM 758 OD1 ASN A 75 -6.961 13.327 -2.230 1.00 0.00 O ATOM 759 ND2 ASN A 75 -8.486 13.398 -3.849 1.00 0.00 N ATOM 0 H ASN A 75 -6.598 8.944 -3.724 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.321 11.445 -3.113 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.480 11.095 -4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.267 10.699 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.612 14.404 -3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.025 12.894 -4.553 1.00 0.00 H new ATOM 766 N THR A 76 -5.062 10.869 -0.621 1.00 0.00 N ATOM 767 CA THR A 76 -4.961 10.816 0.838 1.00 0.00 C ATOM 768 C THR A 76 -5.880 11.846 1.505 1.00 0.00 C ATOM 769 O THR A 76 -6.302 11.654 2.645 1.00 0.00 O ATOM 770 CB THR A 76 -3.483 11.017 1.229 1.00 0.00 C ATOM 771 OG1 THR A 76 -3.148 12.391 1.139 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.486 10.235 0.361 1.00 0.00 C ATOM 0 H THR A 76 -4.174 11.078 -1.078 1.00 0.00 H new ATOM 0 HA THR A 76 -5.298 9.843 1.196 1.00 0.00 H new ATOM 0 HB THR A 76 -3.399 10.636 2.247 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.173 12.491 1.141 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.471 10.434 0.704 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.694 9.168 0.440 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.585 10.548 -0.678 1.00 0.00 H new ATOM 780 N ALA A 77 -6.240 12.912 0.784 1.00 0.00 N ATOM 781 CA ALA A 77 -7.124 13.948 1.274 1.00 0.00 C ATOM 782 C ALA A 77 -8.588 13.644 1.018 1.00 0.00 C ATOM 783 O ALA A 77 -9.450 14.303 1.601 1.00 0.00 O ATOM 784 CB ALA A 77 -6.710 15.272 0.652 1.00 0.00 C ATOM 0 H ALA A 77 -5.915 13.072 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.027 14.002 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.367 16.064 1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.681 15.499 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.785 15.203 -0.433 1.00 0.00 H new ATOM 790 N SER A 78 -8.898 12.662 0.180 1.00 0.00 N ATOM 791 CA SER A 78 -10.234 12.114 0.083 1.00 0.00 C ATOM 792 C SER A 78 -10.454 11.135 1.234 1.00 0.00 C ATOM 793 O SER A 78 -11.541 11.111 1.808 1.00 0.00 O ATOM 794 CB SER A 78 -10.391 11.467 -1.288 1.00 0.00 C ATOM 795 OG SER A 78 -11.746 11.223 -1.591 1.00 0.00 O ATOM 0 H SER A 78 -8.225 12.226 -0.450 1.00 0.00 H new ATOM 0 HA SER A 78 -10.996 12.888 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.958 12.115 -2.049 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.836 10.529 -1.315 1.00 0.00 H new ATOM 0 HG SER A 78 -11.998 10.333 -1.268 1.00 0.00 H new ATOM 801 N VAL A 79 -9.439 10.352 1.621 1.00 0.00 N ATOM 802 CA VAL A 79 -9.601 9.371 2.679 1.00 0.00 C ATOM 803 C VAL A 79 -9.521 10.163 3.984 1.00 0.00 C ATOM 804 O VAL A 79 -8.451 10.648 4.371 1.00 0.00 O ATOM 805 CB VAL A 79 -8.572 8.219 2.570 1.00 0.00 C ATOM 806 CG1 VAL A 79 -8.997 7.088 3.485 1.00 0.00 C ATOM 807 CG2 VAL A 79 -8.433 7.634 1.158 1.00 0.00 C ATOM 0 H VAL A 79 -8.504 10.385 1.214 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.557 8.852 2.616 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.610 8.651 2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.277 6.273 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.038 7.448 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.982 6.729 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.694 6.833 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.394 7.237 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.112 8.416 0.470 1.00 0.00 H new ATOM 817 N ALA A 80 -10.665 10.368 4.637 1.00 0.00 N ATOM 818 CA ALA A 80 -10.695 10.954 5.965 1.00 0.00 C ATOM 819 C ALA A 80 -9.852 10.082 6.900 1.00 0.00 C ATOM 820 O ALA A 80 -9.662 8.890 6.643 1.00 0.00 O ATOM 821 CB ALA A 80 -12.136 11.099 6.448 1.00 0.00 C ATOM 0 H ALA A 80 -11.584 10.134 4.261 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.269 11.957 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.143 11.540 7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.686 11.743 5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.609 10.118 6.482 1.00 0.00 H new ATOM 827 N GLY A 81 -9.293 10.680 7.948 1.00 0.00 N ATOM 828 CA GLY A 81 -8.335 10.011 8.818 1.00 0.00 C ATOM 829 C GLY A 81 -6.936 9.982 8.207 1.00 0.00 C ATOM 830 O GLY A 81 -5.981 10.331 8.895 1.00 0.00 O ATOM 0 H GLY A 81 -9.493 11.643 8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.300 10.521 9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.669 8.991 9.010 1.00 0.00 H new ATOM 834 N MET A 82 -6.771 9.618 6.924 1.00 0.00 N ATOM 835 CA MET A 82 -5.451 9.474 6.331 1.00 0.00 C ATOM 836 C MET A 82 -4.699 10.799 6.353 1.00 0.00 C ATOM 837 O MET A 82 -3.547 10.848 6.780 1.00 0.00 O ATOM 838 CB MET A 82 -5.600 8.914 4.921 1.00 0.00 C ATOM 839 CG MET A 82 -4.220 8.802 4.293 1.00 0.00 C ATOM 840 SD MET A 82 -4.105 7.949 2.714 1.00 0.00 S ATOM 841 CE MET A 82 -4.665 6.281 3.112 1.00 0.00 C ATOM 0 H MET A 82 -7.542 9.420 6.286 1.00 0.00 H new ATOM 0 HA MET A 82 -4.855 8.774 6.916 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.082 7.937 4.951 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.236 9.565 4.321 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.825 9.809 4.163 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.566 8.292 5.001 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.042 5.799 2.210 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.832 5.703 3.511 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.460 6.332 3.856 1.00 0.00 H new ATOM 851 N ASN A 83 -5.366 11.870 5.932 1.00 0.00 N ATOM 852 CA ASN A 83 -4.867 13.243 5.952 1.00 0.00 C ATOM 853 C ASN A 83 -4.604 13.788 7.371 1.00 0.00 C ATOM 854 O ASN A 83 -4.377 14.993 7.504 1.00 0.00 O ATOM 855 CB ASN A 83 -5.842 14.157 5.195 1.00 0.00 C ATOM 856 CG ASN A 83 -7.221 14.193 5.826 1.00 0.00 C ATOM 857 OD1 ASN A 83 -7.517 14.998 6.699 1.00 0.00 O ATOM 858 ND2 ASN A 83 -8.107 13.303 5.413 1.00 0.00 N ATOM 0 H ASN A 83 -6.310 11.802 5.551 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.897 13.233 5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.435 15.168 5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.928 13.815 4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.041 13.286 5.822 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.856 12.634 4.685 1.00 0.00 H new ATOM 865 N LEU A 84 -4.653 12.957 8.423 1.00 0.00 N ATOM 866 CA LEU A 84 -4.398 13.330 9.811 1.00 0.00 C ATOM 867 C LEU A 84 -3.265 12.489 10.417 1.00 0.00 C ATOM 868 O LEU A 84 -2.935 12.708 11.580 1.00 0.00 O ATOM 869 CB LEU A 84 -5.665 13.137 10.677 1.00 0.00 C ATOM 870 CG LEU A 84 -6.984 13.725 10.142 1.00 0.00 C ATOM 871 CD1 LEU A 84 -8.135 13.350 11.086 1.00 0.00 C ATOM 872 CD2 LEU A 84 -6.941 15.249 10.025 1.00 0.00 C ATOM 0 H LEU A 84 -4.881 11.968 8.319 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.108 14.381 9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.810 12.067 10.829 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.474 13.575 11.657 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.136 13.308 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.068 13.767 10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.219 12.265 11.144 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.936 13.752 12.080 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.895 15.612 9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.754 15.684 11.007 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.143 15.539 9.341 1.00 0.00 H new ATOM 884 N LEU A 85 -2.723 11.483 9.717 1.00 0.00 N ATOM 885 CA LEU A 85 -1.727 10.554 10.269 1.00 0.00 C ATOM 886 C LEU A 85 -0.306 11.123 10.155 1.00 0.00 C ATOM 887 O LEU A 85 -0.115 12.138 9.485 1.00 0.00 O ATOM 888 CB LEU A 85 -1.893 9.217 9.542 1.00 0.00 C ATOM 889 CG LEU A 85 -2.951 8.354 10.253 1.00 0.00 C ATOM 890 CD1 LEU A 85 -3.755 7.542 9.252 1.00 0.00 C ATOM 891 CD2 LEU A 85 -2.275 7.417 11.237 1.00 0.00 C ATOM 0 H LEU A 85 -2.965 11.290 8.745 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.888 10.404 11.337 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.190 9.391 8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.940 8.688 9.515 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.631 9.020 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.495 6.942 9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.261 8.215 8.560 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.086 6.886 8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.029 6.809 11.737 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.581 6.768 10.703 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.729 8.000 11.979 1.00 0.00 H new ATOM 903 N ALA A 86 0.726 10.489 10.737 1.00 0.00 N ATOM 904 CA ALA A 86 2.104 10.901 10.473 1.00 0.00 C ATOM 905 C ALA A 86 2.381 10.555 9.022 1.00 0.00 C ATOM 906 O ALA A 86 1.902 9.513 8.582 1.00 0.00 O ATOM 907 CB ALA A 86 3.071 10.201 11.427 1.00 0.00 C ATOM 0 H ALA A 86 0.630 9.704 11.381 1.00 0.00 H new ATOM 0 HA ALA A 86 2.244 11.969 10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.090 10.522 11.213 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.818 10.459 12.455 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.995 9.122 11.294 1.00 0.00 H new ATOM 913 N ASP A 87 3.049 11.420 8.257 1.00 0.00 N ATOM 914 CA ASP A 87 3.060 11.347 6.785 1.00 0.00 C ATOM 915 C ASP A 87 3.473 9.963 6.321 1.00 0.00 C ATOM 916 O ASP A 87 2.801 9.368 5.467 1.00 0.00 O ATOM 917 CB ASP A 87 3.994 12.388 6.152 1.00 0.00 C ATOM 918 CG ASP A 87 3.347 13.753 5.979 1.00 0.00 C ATOM 919 OD1 ASP A 87 4.067 14.762 6.134 1.00 0.00 O ATOM 920 OD2 ASP A 87 2.145 13.833 5.639 1.00 0.00 O ATOM 0 H ASP A 87 3.599 12.192 8.634 1.00 0.00 H new ATOM 0 HA ASP A 87 2.043 11.562 6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.884 12.492 6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.325 12.025 5.179 1.00 0.00 H new ATOM 926 N ASP A 88 4.515 9.434 6.967 1.00 0.00 N ATOM 927 CA ASP A 88 4.947 8.063 6.793 1.00 0.00 C ATOM 928 C ASP A 88 4.572 7.260 8.010 1.00 0.00 C ATOM 929 O ASP A 88 5.374 7.005 8.907 1.00 0.00 O ATOM 930 CB ASP A 88 6.397 7.904 6.345 1.00 0.00 C ATOM 931 CG ASP A 88 6.420 7.431 4.886 1.00 0.00 C ATOM 932 OD1 ASP A 88 6.920 6.317 4.640 1.00 0.00 O ATOM 933 OD2 ASP A 88 5.770 8.062 4.020 1.00 0.00 O ATOM 0 H ASP A 88 5.083 9.960 7.631 1.00 0.00 H new ATOM 0 HA ASP A 88 4.407 7.648 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.927 8.852 6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.911 7.184 6.982 1.00 0.00 H new ATOM 939 N ALA A 89 3.295 6.902 8.031 1.00 0.00 N ATOM 940 CA ALA A 89 2.732 5.945 8.958 1.00 0.00 C ATOM 941 C ALA A 89 1.976 4.849 8.203 1.00 0.00 C ATOM 942 O ALA A 89 1.275 5.191 7.249 1.00 0.00 O ATOM 943 CB ALA A 89 1.720 6.683 9.811 1.00 0.00 C ATOM 0 H ALA A 89 2.607 7.284 7.382 1.00 0.00 H new ATOM 0 HA ALA A 89 3.531 5.498 9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.273 5.991 10.525 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.217 7.489 10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.941 7.100 9.173 1.00 0.00 H new ATOM 949 N CYS A 90 1.993 3.596 8.670 1.00 0.00 N ATOM 950 CA CYS A 90 1.291 2.437 8.076 1.00 0.00 C ATOM 951 C CYS A 90 -0.237 2.619 7.974 1.00 0.00 C ATOM 952 O CYS A 90 -0.953 2.242 8.906 1.00 0.00 O ATOM 953 CB CYS A 90 1.551 1.165 8.911 1.00 0.00 C ATOM 954 SG CYS A 90 3.254 0.625 9.150 1.00 0.00 S ATOM 0 H CYS A 90 2.517 3.344 9.508 1.00 0.00 H new ATOM 0 HA CYS A 90 1.692 2.348 7.066 1.00 0.00 H new ATOM 0 HB2 CYS A 90 1.111 1.320 9.896 1.00 0.00 H new ATOM 0 HB3 CYS A 90 1.006 0.345 8.444 1.00 0.00 H new ATOM 0 HG CYS A 90 3.997 1.098 8.194 1.00 0.00 H new ATOM 960 N VAL A 91 -0.772 3.183 6.888 1.00 0.00 N ATOM 961 CA VAL A 91 -2.205 3.441 6.778 1.00 0.00 C ATOM 962 C VAL A 91 -2.885 2.153 6.277 1.00 0.00 C ATOM 963 O VAL A 91 -2.338 1.496 5.384 1.00 0.00 O ATOM 964 CB VAL A 91 -2.499 4.649 5.852 1.00 0.00 C ATOM 965 CG1 VAL A 91 -3.891 5.187 6.179 1.00 0.00 C ATOM 966 CG2 VAL A 91 -1.587 5.864 6.025 1.00 0.00 C ATOM 0 H VAL A 91 -0.231 3.469 6.072 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.609 3.710 7.754 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.363 4.249 4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.113 6.038 5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.632 4.404 6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.923 5.503 7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.886 6.646 5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.669 6.238 7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.555 5.575 5.827 1.00 0.00 H new ATOM 976 N PRO A 92 -4.061 1.760 6.805 1.00 0.00 N ATOM 977 CA PRO A 92 -4.803 0.633 6.261 1.00 0.00 C ATOM 978 C PRO A 92 -5.460 1.002 4.940 1.00 0.00 C ATOM 979 O PRO A 92 -5.863 2.153 4.742 1.00 0.00 O ATOM 980 CB PRO A 92 -5.871 0.301 7.279 1.00 0.00 C ATOM 981 CG PRO A 92 -6.114 1.609 8.027 1.00 0.00 C ATOM 982 CD PRO A 92 -4.779 2.349 7.927 1.00 0.00 C ATOM 0 HA PRO A 92 -4.139 -0.210 6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.781 -0.054 6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.541 -0.487 7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.923 2.183 7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.393 1.429 9.065 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.938 3.416 7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.208 2.245 8.850 1.00 0.00 H new ATOM 990 N LEU A 93 -5.696 -0.009 4.105 1.00 0.00 N ATOM 991 CA LEU A 93 -6.299 0.147 2.794 1.00 0.00 C ATOM 992 C LEU A 93 -7.611 -0.607 2.599 1.00 0.00 C ATOM 993 O LEU A 93 -8.194 -0.473 1.539 1.00 0.00 O ATOM 994 CB LEU A 93 -5.287 -0.191 1.693 1.00 0.00 C ATOM 995 CG LEU A 93 -5.480 0.673 0.428 1.00 0.00 C ATOM 996 CD1 LEU A 93 -5.160 2.160 0.671 1.00 0.00 C ATOM 997 CD2 LEU A 93 -4.558 0.140 -0.662 1.00 0.00 C ATOM 0 H LEU A 93 -5.466 -0.977 4.331 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.575 1.199 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.277 -0.048 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.381 -1.244 1.428 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.528 0.610 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.313 2.720 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.818 2.552 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.123 2.262 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.679 0.738 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.523 0.199 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.811 -0.898 -0.877 1.00 0.00 H new ATOM 1009 N THR A 94 -8.117 -1.351 3.582 1.00 0.00 N ATOM 1010 CA THR A 94 -9.493 -1.867 3.543 1.00 0.00 C ATOM 1011 C THR A 94 -10.297 -1.393 4.770 1.00 0.00 C ATOM 1012 O THR A 94 -11.458 -1.756 4.961 1.00 0.00 O ATOM 1013 CB THR A 94 -9.440 -3.387 3.281 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.609 -3.865 2.652 1.00 0.00 O ATOM 1015 CG2 THR A 94 -9.163 -4.225 4.535 1.00 0.00 C ATOM 0 H THR A 94 -7.596 -1.613 4.419 1.00 0.00 H new ATOM 0 HA THR A 94 -10.064 -1.452 2.713 1.00 0.00 H new ATOM 0 HB THR A 94 -8.592 -3.511 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.768 -3.358 1.829 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.141 -5.282 4.269 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.201 -3.938 4.959 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.950 -4.052 5.269 1.00 0.00 H new ATOM 1023 N THR A 95 -9.684 -0.543 5.599 1.00 0.00 N ATOM 1024 CA THR A 95 -10.245 -0.052 6.852 1.00 0.00 C ATOM 1025 C THR A 95 -10.470 1.455 6.751 1.00 0.00 C ATOM 1026 O THR A 95 -11.568 1.918 7.058 1.00 0.00 O ATOM 1027 CB THR A 95 -9.296 -0.419 7.997 1.00 0.00 C ATOM 1028 OG1 THR A 95 -8.877 -1.763 7.886 1.00 0.00 O ATOM 1029 CG2 THR A 95 -9.811 -0.199 9.410 1.00 0.00 C ATOM 0 H THR A 95 -8.755 -0.169 5.407 1.00 0.00 H new ATOM 0 HA THR A 95 -11.211 -0.515 7.053 1.00 0.00 H new ATOM 0 HB THR A 95 -8.474 0.286 7.868 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.270 -1.979 8.625 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.046 -0.497 10.127 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.049 0.855 9.551 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.708 -0.797 9.567 1.00 0.00 H new ATOM 1037 N MET A 96 -9.465 2.249 6.334 1.00 0.00 N ATOM 1038 CA MET A 96 -9.696 3.685 6.212 1.00 0.00 C ATOM 1039 C MET A 96 -10.732 3.913 5.106 1.00 0.00 C ATOM 1040 O MET A 96 -11.750 4.570 5.318 1.00 0.00 O ATOM 1041 CB MET A 96 -8.426 4.510 5.918 1.00 0.00 C ATOM 1042 CG MET A 96 -8.614 5.915 6.500 1.00 0.00 C ATOM 1043 SD MET A 96 -8.573 6.044 8.305 1.00 0.00 S ATOM 1044 CE MET A 96 -6.789 6.028 8.553 1.00 0.00 C ATOM 0 H MET A 96 -8.528 1.931 6.088 1.00 0.00 H new ATOM 0 HA MET A 96 -10.053 4.036 7.180 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.552 4.031 6.360 1.00 0.00 H new ATOM 0 HB3 MET A 96 -8.250 4.565 4.844 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.837 6.561 6.093 1.00 0.00 H new ATOM 0 HG3 MET A 96 -9.569 6.306 6.150 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.570 5.850 9.606 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.345 5.235 7.951 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.371 6.989 8.253 1.00 0.00 H new ATOM 1054 N VAL A 97 -10.460 3.343 3.931 1.00 0.00 N ATOM 1055 CA VAL A 97 -11.119 3.632 2.671 1.00 0.00 C ATOM 1056 C VAL A 97 -12.091 2.506 2.308 1.00 0.00 C ATOM 1057 O VAL A 97 -11.755 1.325 2.393 1.00 0.00 O ATOM 1058 CB VAL A 97 -10.053 3.912 1.587 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -8.821 3.000 1.656 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -10.652 3.954 0.182 1.00 0.00 C ATOM 0 H VAL A 97 -9.735 2.631 3.835 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.727 4.533 2.755 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.681 4.910 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.126 3.266 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.331 3.123 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.130 1.962 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.864 4.154 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.119 2.995 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.402 4.743 0.130 1.00 0.00 H new ATOM 1070 N GLN A 98 -13.286 2.915 1.890 1.00 0.00 N ATOM 1071 CA GLN A 98 -14.353 2.102 1.338 1.00 0.00 C ATOM 1072 C GLN A 98 -13.912 1.498 0.011 1.00 0.00 C ATOM 1073 O GLN A 98 -13.265 2.181 -0.783 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.555 3.044 1.170 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.747 2.524 0.347 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.763 2.802 -1.156 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -17.743 2.518 -1.842 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -15.707 3.342 -1.725 1.00 0.00 N ATOM 0 H GLN A 98 -13.548 3.900 1.934 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.615 1.264 1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.919 3.307 2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.200 3.965 0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.802 1.444 0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.656 2.947 0.774 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -14.890 3.580 -1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -15.705 3.522 -2.729 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.358 0.272 -0.252 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.160 -0.567 -1.449 1.00 0.00 C ATOM 1089 C ASP A 99 -12.712 -0.832 -1.848 1.00 0.00 C ATOM 1090 O ASP A 99 -12.454 -1.617 -2.759 1.00 0.00 O ATOM 1091 CB ASP A 99 -14.913 -0.003 -2.661 1.00 0.00 C ATOM 1092 CG ASP A 99 -15.540 -1.044 -3.583 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -15.586 -2.252 -3.249 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -16.116 -0.587 -4.603 1.00 0.00 O ATOM 0 H ASP A 99 -14.929 -0.217 0.437 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.570 -1.530 -1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -15.700 0.661 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.223 0.606 -3.245 1.00 0.00 H new ATOM 1100 N ALA A 100 -11.752 -0.180 -1.198 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.360 -0.489 -1.371 1.00 0.00 C ATOM 1102 C ALA A 100 -10.042 -1.795 -0.640 1.00 0.00 C ATOM 1103 O ALA A 100 -10.668 -2.147 0.368 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.543 0.683 -0.853 1.00 0.00 C ATOM 0 H ALA A 100 -11.931 0.577 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.110 -0.638 -2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.481 0.469 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.799 1.581 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.762 0.841 0.203 1.00 0.00 H new ATOM 1110 N THR A 101 -9.075 -2.533 -1.175 1.00 0.00 N ATOM 1111 CA THR A 101 -8.753 -3.878 -0.728 1.00 0.00 C ATOM 1112 C THR A 101 -7.249 -4.093 -0.870 1.00 0.00 C ATOM 1113 O THR A 101 -6.549 -3.295 -1.508 1.00 0.00 O ATOM 1114 CB THR A 101 -9.611 -4.960 -1.439 1.00 0.00 C ATOM 1115 OG1 THR A 101 -9.004 -5.548 -2.575 1.00 0.00 O ATOM 1116 CG2 THR A 101 -10.991 -4.492 -1.899 1.00 0.00 C ATOM 0 H THR A 101 -8.487 -2.207 -1.942 1.00 0.00 H new ATOM 0 HA THR A 101 -9.013 -3.986 0.325 1.00 0.00 H new ATOM 0 HB THR A 101 -9.708 -5.691 -0.636 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.609 -6.216 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 101 -11.512 -5.318 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.567 -4.155 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.879 -3.669 -2.605 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.743 -5.165 -0.262 1.00 0.00 N ATOM 1125 CA ALA A 102 -5.318 -5.429 -0.198 1.00 0.00 C ATOM 1126 C ALA A 102 -5.044 -6.926 -0.066 1.00 0.00 C ATOM 1127 O ALA A 102 -4.947 -7.442 1.050 1.00 0.00 O ATOM 1128 CB ALA A 102 -4.708 -4.601 0.945 1.00 0.00 C ATOM 0 H ALA A 102 -7.316 -5.872 0.199 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.838 -5.122 -1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.636 -4.793 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.878 -3.541 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.177 -4.882 1.888 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.909 -7.606 -1.204 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.596 -9.024 -1.311 1.00 0.00 C ATOM 1136 C HIS A 103 -3.115 -9.196 -1.587 1.00 0.00 C ATOM 1137 O HIS A 103 -2.602 -8.805 -2.634 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.465 -9.654 -2.412 1.00 0.00 C ATOM 1139 CG HIS A 103 -4.979 -10.993 -2.906 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -4.741 -12.123 -2.155 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -4.682 -11.294 -4.206 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -4.311 -13.079 -2.997 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -4.283 -12.630 -4.265 1.00 0.00 N ATOM 0 H HIS A 103 -5.020 -7.161 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.819 -9.536 -0.375 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.481 -9.768 -2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.514 -8.966 -3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.745 -10.615 -5.043 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.026 -14.076 -2.695 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -4.023 -13.158 -5.098 1.00 0.00 H new ATOM 1152 N LEU A 104 -2.428 -9.796 -0.628 1.00 0.00 N ATOM 1153 CA LEU A 104 -1.085 -10.294 -0.792 1.00 0.00 C ATOM 1154 C LEU A 104 -1.210 -11.637 -1.511 1.00 0.00 C ATOM 1155 O LEU A 104 -1.597 -12.626 -0.884 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.461 -10.415 0.608 1.00 0.00 C ATOM 1157 CG LEU A 104 0.966 -10.999 0.710 1.00 0.00 C ATOM 1158 CD1 LEU A 104 1.016 -12.159 1.662 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.568 -11.615 -0.532 1.00 0.00 C ATOM 0 H LEU A 104 -2.805 -9.951 0.307 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.439 -9.643 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.450 -9.422 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.121 -11.033 1.217 1.00 0.00 H new ATOM 0 HG LEU A 104 1.516 -10.102 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.034 -12.546 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.706 -11.830 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.345 -12.944 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.570 -11.981 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.945 -12.445 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.624 -10.864 -1.320 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.833 -11.700 -2.791 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.577 -12.967 -3.471 1.00 0.00 C ATOM 1173 C ASP A 105 0.830 -13.443 -3.122 1.00 0.00 C ATOM 1174 O ASP A 105 1.820 -12.848 -3.550 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.692 -12.826 -4.993 1.00 0.00 C ATOM 1176 CG ASP A 105 -0.815 -14.192 -5.661 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -1.582 -14.292 -6.645 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -0.155 -15.176 -5.251 1.00 0.00 O ATOM 0 H ASP A 105 -0.698 -10.878 -3.380 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.324 -13.687 -3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.561 -12.217 -5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.183 -12.305 -5.381 1.00 0.00 H new ATOM 1184 N VAL A 106 0.955 -14.451 -2.260 1.00 0.00 N ATOM 1185 CA VAL A 106 2.262 -14.960 -1.837 1.00 0.00 C ATOM 1186 C VAL A 106 2.742 -16.083 -2.747 1.00 0.00 C ATOM 1187 O VAL A 106 3.879 -16.541 -2.599 1.00 0.00 O ATOM 1188 CB VAL A 106 2.182 -15.382 -0.361 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.761 -16.833 -0.101 1.00 0.00 C ATOM 1190 CG2 VAL A 106 3.484 -15.061 0.379 1.00 0.00 C ATOM 0 H VAL A 106 0.163 -14.935 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 106 3.009 -14.171 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 106 1.366 -14.781 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.739 -17.019 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.769 -17.005 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.475 -17.509 -0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.397 -15.371 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.310 -15.595 -0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.673 -13.988 0.334 1.00 0.00 H new ATOM 1200 N GLY A 107 1.893 -16.545 -3.666 1.00 0.00 N ATOM 1201 CA GLY A 107 2.256 -17.613 -4.563 1.00 0.00 C ATOM 1202 C GLY A 107 3.002 -16.994 -5.735 1.00 0.00 C ATOM 1203 O GLY A 107 4.185 -17.271 -5.945 1.00 0.00 O ATOM 0 H GLY A 107 0.948 -16.186 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.883 -18.345 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.368 -18.141 -4.910 1.00 0.00 H new ATOM 1207 N GLN A 108 2.316 -16.062 -6.407 1.00 0.00 N ATOM 1208 CA GLN A 108 2.822 -15.264 -7.517 1.00 0.00 C ATOM 1209 C GLN A 108 3.690 -14.097 -7.053 1.00 0.00 C ATOM 1210 O GLN A 108 4.246 -13.407 -7.902 1.00 0.00 O ATOM 1211 CB GLN A 108 1.634 -14.725 -8.330 1.00 0.00 C ATOM 1212 CG GLN A 108 0.944 -15.802 -9.175 1.00 0.00 C ATOM 1213 CD GLN A 108 1.586 -15.877 -10.559 1.00 0.00 C ATOM 1214 OE1 GLN A 108 1.232 -15.120 -11.464 1.00 0.00 O ATOM 1215 NE2 GLN A 108 2.557 -16.754 -10.755 1.00 0.00 N ATOM 0 H GLN A 108 1.348 -15.837 -6.177 1.00 0.00 H new ATOM 0 HA GLN A 108 3.451 -15.911 -8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.906 -14.284 -7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.982 -13.926 -8.985 1.00 0.00 H new ATOM 0 HG2 GLN A 108 1.020 -16.769 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.118 -15.575 -9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 108 2.843 -17.376 -9.999 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.020 -16.808 -11.662 1.00 0.00 H new ATOM 1224 N GLN A 109 3.827 -13.886 -5.735 1.00 0.00 N ATOM 1225 CA GLN A 109 4.620 -12.809 -5.160 1.00 0.00 C ATOM 1226 C GLN A 109 4.142 -11.468 -5.739 1.00 0.00 C ATOM 1227 O GLN A 109 4.916 -10.782 -6.411 1.00 0.00 O ATOM 1228 CB GLN A 109 6.120 -13.119 -5.385 1.00 0.00 C ATOM 1229 CG GLN A 109 6.591 -14.300 -4.535 1.00 0.00 C ATOM 1230 CD GLN A 109 8.088 -14.555 -4.695 1.00 0.00 C ATOM 1231 OE1 GLN A 109 8.567 -14.993 -5.737 1.00 0.00 O ATOM 1232 NE2 GLN A 109 8.871 -14.273 -3.667 1.00 0.00 N ATOM 0 H GLN A 109 3.378 -14.475 -5.033 1.00 0.00 H new ATOM 0 HA GLN A 109 4.487 -12.730 -4.081 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.291 -13.339 -6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 109 6.713 -12.237 -5.143 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.366 -14.105 -3.486 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.038 -15.195 -4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.468 -13.909 -2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.878 -14.419 -3.738 1.00 0.00 H new ATOM 1241 N ARG A 110 2.869 -11.108 -5.509 1.00 0.00 N ATOM 1242 CA ARG A 110 2.256 -9.933 -6.156 1.00 0.00 C ATOM 1243 C ARG A 110 1.208 -9.236 -5.293 1.00 0.00 C ATOM 1244 O ARG A 110 0.160 -9.809 -4.980 1.00 0.00 O ATOM 1245 CB ARG A 110 1.739 -10.349 -7.534 1.00 0.00 C ATOM 1246 CG ARG A 110 1.241 -9.158 -8.358 1.00 0.00 C ATOM 1247 CD ARG A 110 0.994 -9.591 -9.808 1.00 0.00 C ATOM 1248 NE ARG A 110 -0.261 -10.349 -9.926 1.00 0.00 N ATOM 1249 CZ ARG A 110 -1.391 -9.948 -10.519 1.00 0.00 C ATOM 1250 NH1 ARG A 110 -1.466 -8.807 -11.201 1.00 0.00 N ATOM 1251 NH2 ARG A 110 -2.465 -10.706 -10.365 1.00 0.00 N ATOM 0 H ARG A 110 2.243 -11.612 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 110 3.019 -9.166 -6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.535 -10.856 -8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.928 -11.067 -7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.321 -8.765 -7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.976 -8.353 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.954 -8.712 -10.452 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.826 -10.203 -10.155 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.271 -11.281 -9.511 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.645 -8.207 -11.284 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.344 -8.532 -11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.411 -11.560 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.347 -10.436 -10.801 1.00 0.00 H new ATOM 1265 N LEU A 111 1.512 -8.010 -4.848 1.00 0.00 N ATOM 1266 CA LEU A 111 0.700 -7.297 -3.871 1.00 0.00 C ATOM 1267 C LEU A 111 -0.464 -6.664 -4.645 1.00 0.00 C ATOM 1268 O LEU A 111 -0.288 -5.600 -5.231 1.00 0.00 O ATOM 1269 CB LEU A 111 1.514 -6.257 -3.086 1.00 0.00 C ATOM 1270 CG LEU A 111 0.616 -5.493 -2.095 1.00 0.00 C ATOM 1271 CD1 LEU A 111 -0.112 -6.446 -1.136 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.422 -4.466 -1.299 1.00 0.00 C ATOM 0 H LEU A 111 2.331 -7.489 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 111 0.324 -7.983 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.320 -6.753 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.979 -5.555 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.134 -4.968 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.735 -5.869 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.738 -7.130 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.620 -7.017 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.762 -3.942 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.206 -4.975 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.874 -3.748 -1.984 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.620 -7.318 -4.724 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.778 -6.929 -5.528 1.00 0.00 C ATOM 1286 C ASN A 112 -3.713 -6.038 -4.706 1.00 0.00 C ATOM 1287 O ASN A 112 -4.600 -6.527 -3.994 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.539 -8.180 -5.982 1.00 0.00 C ATOM 1289 CG ASN A 112 -2.896 -8.877 -7.167 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -3.136 -8.493 -8.306 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -2.096 -9.906 -6.941 1.00 0.00 N ATOM 0 H ASN A 112 -1.784 -8.179 -4.202 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.430 -6.377 -6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.603 -8.880 -5.149 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.560 -7.901 -6.244 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.664 -10.398 -7.723 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.911 -10.208 -5.984 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.537 -4.721 -4.778 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.386 -3.761 -4.076 1.00 0.00 C ATOM 1300 C LEU A 113 -5.545 -3.295 -4.961 1.00 0.00 C ATOM 1301 O LEU A 113 -5.524 -3.476 -6.182 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.546 -2.571 -3.598 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.289 -2.973 -2.800 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -1.644 -1.728 -2.222 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -2.579 -3.892 -1.620 1.00 0.00 C ATOM 0 H LEU A 113 -2.796 -4.287 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.819 -4.255 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.242 -1.983 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.168 -1.926 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.648 -3.502 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.755 -2.008 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.363 -1.055 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.350 -1.225 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.647 -4.131 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.256 -3.392 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.042 -4.811 -1.980 1.00 0.00 H new ATOM 1317 N THR A 114 -6.530 -2.633 -4.366 1.00 0.00 N ATOM 1318 CA THR A 114 -7.725 -2.113 -5.029 1.00 0.00 C ATOM 1319 C THR A 114 -8.048 -0.769 -4.367 1.00 0.00 C ATOM 1320 O THR A 114 -7.877 -0.681 -3.153 1.00 0.00 O ATOM 1321 CB THR A 114 -8.878 -3.111 -4.805 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.479 -4.462 -4.988 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.085 -2.842 -5.701 1.00 0.00 C ATOM 0 H THR A 114 -6.520 -2.434 -3.366 1.00 0.00 H new ATOM 0 HA THR A 114 -7.578 -1.982 -6.101 1.00 0.00 H new ATOM 0 HB THR A 114 -9.166 -2.957 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.671 -4.973 -4.174 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.862 -3.578 -5.495 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.470 -1.842 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.785 -2.913 -6.747 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.505 0.255 -5.103 1.00 0.00 N ATOM 1332 CA ILE A 115 -9.043 1.521 -4.577 1.00 0.00 C ATOM 1333 C ILE A 115 -10.041 2.056 -5.608 1.00 0.00 C ATOM 1334 O ILE A 115 -9.712 2.052 -6.788 1.00 0.00 O ATOM 1335 CB ILE A 115 -7.924 2.573 -4.341 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -6.811 2.095 -3.379 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.498 3.899 -3.801 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.713 3.132 -3.138 1.00 0.00 C ATOM 0 H ILE A 115 -8.511 0.224 -6.123 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.519 1.338 -3.613 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.477 2.724 -5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.261 1.828 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.359 1.189 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.687 4.611 -3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.208 4.307 -4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.005 3.717 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.970 2.723 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.235 3.382 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.150 4.031 -2.704 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.221 2.550 -5.205 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.148 3.162 -6.141 1.00 0.00 C ATOM 1352 C PRO A 116 -11.765 4.608 -6.489 1.00 0.00 C ATOM 1353 O PRO A 116 -11.198 5.337 -5.668 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.488 3.099 -5.426 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.145 3.151 -3.948 1.00 0.00 C ATOM 1356 CD PRO A 116 -11.764 2.515 -3.856 1.00 0.00 C ATOM 0 HA PRO A 116 -12.155 2.645 -7.100 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -14.128 3.933 -5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.026 2.184 -5.675 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.135 4.176 -3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -13.875 2.604 -3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.126 3.064 -3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -11.829 1.491 -3.487 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.213 5.082 -7.659 1.00 0.00 N ATOM 1365 CA GLN A 117 -12.022 6.445 -8.155 1.00 0.00 C ATOM 1366 C GLN A 117 -12.546 7.534 -7.207 1.00 0.00 C ATOM 1367 O GLN A 117 -12.223 8.709 -7.399 1.00 0.00 O ATOM 1368 CB GLN A 117 -12.727 6.589 -9.517 1.00 0.00 C ATOM 1369 CG GLN A 117 -12.033 5.918 -10.706 1.00 0.00 C ATOM 1370 CD GLN A 117 -10.695 6.569 -11.026 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -10.617 7.540 -11.781 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -9.609 6.060 -10.478 1.00 0.00 N ATOM 0 H GLN A 117 -12.740 4.500 -8.310 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.946 6.595 -8.238 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.732 6.177 -9.429 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.836 7.651 -9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -11.879 4.861 -10.487 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -12.681 5.971 -11.581 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.681 5.256 -9.854 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.697 6.470 -10.678 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.362 7.192 -6.206 1.00 0.00 N ATOM 1382 CA ALA A 118 -13.824 8.118 -5.173 1.00 0.00 C ATOM 1383 C ALA A 118 -12.665 8.673 -4.336 1.00 0.00 C ATOM 1384 O ALA A 118 -12.788 9.753 -3.750 1.00 0.00 O ATOM 1385 CB ALA A 118 -14.830 7.410 -4.261 1.00 0.00 C ATOM 0 H ALA A 118 -13.726 6.246 -6.090 1.00 0.00 H new ATOM 0 HA ALA A 118 -14.301 8.961 -5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.173 8.102 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.682 7.072 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.352 6.551 -3.790 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.534 7.960 -4.272 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.399 8.365 -3.458 1.00 0.00 C ATOM 1393 C PHE A 119 -9.093 8.291 -4.245 1.00 0.00 C ATOM 1394 O PHE A 119 -8.085 7.913 -3.672 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.312 7.514 -2.176 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.573 7.361 -1.349 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.433 6.291 -1.617 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -11.837 8.200 -0.254 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.538 6.045 -0.788 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -12.939 7.956 0.584 1.00 0.00 C ATOM 1401 CZ PHE A 119 -13.787 6.866 0.324 1.00 0.00 C ATOM 0 H PHE A 119 -11.388 7.090 -4.784 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.554 9.405 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -9.971 6.517 -2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.542 7.946 -1.537 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -12.246 5.651 -2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -11.188 9.040 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -14.200 5.220 -1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -13.133 8.605 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 119 -14.624 6.661 0.975 1.00 0.00 H new ATOM 1411 N MET A 120 -9.025 8.666 -5.519 1.00 0.00 N ATOM 1412 CA MET A 120 -7.790 8.545 -6.285 1.00 0.00 C ATOM 1413 C MET A 120 -7.447 9.910 -6.891 1.00 0.00 C ATOM 1414 O MET A 120 -8.254 10.521 -7.597 1.00 0.00 O ATOM 1415 CB MET A 120 -7.954 7.460 -7.350 1.00 0.00 C ATOM 1416 CG MET A 120 -7.857 6.063 -6.727 1.00 0.00 C ATOM 1417 SD MET A 120 -7.923 4.687 -7.896 1.00 0.00 S ATOM 1418 CE MET A 120 -6.334 4.884 -8.748 1.00 0.00 C ATOM 0 H MET A 120 -9.810 9.056 -6.042 1.00 0.00 H new ATOM 0 HA MET A 120 -6.962 8.245 -5.643 1.00 0.00 H new ATOM 0 HB2 MET A 120 -8.917 7.575 -7.847 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.186 7.576 -8.114 1.00 0.00 H new ATOM 0 HG2 MET A 120 -6.924 5.997 -6.167 1.00 0.00 H new ATOM 0 HG3 MET A 120 -8.669 5.947 -6.009 1.00 0.00 H new ATOM 0 HE1 MET A 120 -6.146 4.011 -9.374 1.00 0.00 H new ATOM 0 HE2 MET A 120 -6.364 5.778 -9.371 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.536 4.981 -8.012 1.00 0.00 H new ATOM 1428 N SER A 121 -6.271 10.434 -6.555 1.00 0.00 N ATOM 1429 CA SER A 121 -5.708 11.701 -6.985 1.00 0.00 C ATOM 1430 C SER A 121 -4.208 11.621 -6.719 1.00 0.00 C ATOM 1431 O SER A 121 -3.779 10.967 -5.770 1.00 0.00 O ATOM 1432 CB SER A 121 -6.331 12.846 -6.194 1.00 0.00 C ATOM 1433 OG SER A 121 -6.215 14.087 -6.855 1.00 0.00 O ATOM 0 H SER A 121 -5.640 9.940 -5.924 1.00 0.00 H new ATOM 0 HA SER A 121 -5.907 11.887 -8.040 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.385 12.630 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.851 12.912 -5.218 1.00 0.00 H new ATOM 0 HG SER A 121 -6.764 14.756 -6.394 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.411 12.350 -7.494 1.00 0.00 N ATOM 1440 CA ASN A 122 -1.951 12.355 -7.396 1.00 0.00 C ATOM 1441 C ASN A 122 -1.421 12.949 -6.076 1.00 0.00 C ATOM 1442 O ASN A 122 -0.252 12.762 -5.745 1.00 0.00 O ATOM 1443 CB ASN A 122 -1.422 13.169 -8.585 1.00 0.00 C ATOM 1444 CG ASN A 122 0.077 13.032 -8.778 1.00 0.00 C ATOM 1445 OD1 ASN A 122 0.841 13.922 -8.408 1.00 0.00 O ATOM 1446 ND2 ASN A 122 0.505 11.938 -9.375 1.00 0.00 N ATOM 0 H ASN A 122 -3.767 12.967 -8.224 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.601 11.323 -7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -1.931 12.847 -9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -1.669 14.220 -8.437 1.00 0.00 H new ATOM 0 HD21 ASN A 122 1.502 11.807 -9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -0.161 11.223 -9.667 1.00 0.00 H new ATOM 1453 N ARG A 123 -2.254 13.699 -5.344 1.00 0.00 N ATOM 1454 CA ARG A 123 -1.858 14.552 -4.223 1.00 0.00 C ATOM 1455 C ARG A 123 -1.563 13.731 -2.960 1.00 0.00 C ATOM 1456 O ARG A 123 -2.499 13.311 -2.280 1.00 0.00 O ATOM 1457 CB ARG A 123 -2.915 15.672 -4.036 1.00 0.00 C ATOM 1458 CG ARG A 123 -4.286 15.232 -3.473 1.00 0.00 C ATOM 1459 CD ARG A 123 -5.493 16.020 -3.997 1.00 0.00 C ATOM 1460 NE ARG A 123 -5.558 17.428 -3.564 1.00 0.00 N ATOM 1461 CZ ARG A 123 -5.875 18.470 -4.345 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -5.735 18.413 -5.663 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -6.346 19.590 -3.810 1.00 0.00 N ATOM 0 H ARG A 123 -3.257 13.728 -5.525 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.911 15.045 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.498 16.428 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -3.079 16.152 -5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.434 14.177 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.259 15.320 -2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -5.480 15.992 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -6.404 15.515 -3.676 1.00 0.00 H new ATOM 0 HE ARG A 123 -5.343 17.626 -2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -5.380 17.564 -6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -5.983 19.219 -6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -6.468 19.661 -2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -6.586 20.380 -4.409 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.290 13.508 -2.600 1.00 0.00 N ATOM 1478 CA ALA A 124 0.014 12.898 -1.308 1.00 0.00 C ATOM 1479 C ALA A 124 -0.283 13.820 -0.137 1.00 0.00 C ATOM 1480 O ALA A 124 -0.608 13.315 0.938 1.00 0.00 O ATOM 1481 CB ALA A 124 1.488 12.528 -1.200 1.00 0.00 C ATOM 0 H ALA A 124 0.523 13.736 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.623 12.015 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.679 12.077 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.743 11.817 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.097 13.425 -1.310 1.00 0.00 H new ATOM 1487 N ARG A 125 -0.120 15.139 -0.325 1.00 0.00 N ATOM 1488 CA ARG A 125 -0.039 16.128 0.749 1.00 0.00 C ATOM 1489 C ARG A 125 0.940 15.651 1.826 1.00 0.00 C ATOM 1490 O ARG A 125 0.564 15.414 2.976 1.00 0.00 O ATOM 1491 CB ARG A 125 -1.448 16.435 1.270 1.00 0.00 C ATOM 1492 CG ARG A 125 -2.376 17.110 0.249 1.00 0.00 C ATOM 1493 CD ARG A 125 -1.959 18.550 -0.054 1.00 0.00 C ATOM 1494 NE ARG A 125 -2.175 19.458 1.085 1.00 0.00 N ATOM 1495 CZ ARG A 125 -3.335 19.975 1.512 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -4.441 19.888 0.782 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -3.369 20.581 2.688 1.00 0.00 N ATOM 0 H ARG A 125 -0.039 15.553 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 125 0.363 17.072 0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.909 15.504 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.365 17.078 2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.376 16.532 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.397 17.103 0.630 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.905 18.567 -0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.522 18.913 -0.914 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.343 19.725 1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.419 19.420 -0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.313 20.289 1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.522 20.648 3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -4.243 20.981 3.031 1.00 0.00 H new ATOM 1511 N GLY A 126 2.191 15.476 1.410 1.00 0.00 N ATOM 1512 CA GLY A 126 3.304 15.011 2.207 1.00 0.00 C ATOM 1513 C GLY A 126 4.524 14.980 1.301 1.00 0.00 C ATOM 1514 O GLY A 126 5.296 15.937 1.287 1.00 0.00 O ATOM 0 H GLY A 126 2.463 15.669 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.472 15.673 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.100 14.020 2.611 1.00 0.00 H new ATOM 1518 N TYR A 127 4.617 13.921 0.485 1.00 0.00 N ATOM 1519 CA TYR A 127 5.784 13.460 -0.273 1.00 0.00 C ATOM 1520 C TYR A 127 6.879 12.966 0.674 1.00 0.00 C ATOM 1521 O TYR A 127 7.402 13.734 1.483 1.00 0.00 O ATOM 1522 CB TYR A 127 6.298 14.476 -1.330 1.00 0.00 C ATOM 1523 CG TYR A 127 7.808 14.480 -1.591 1.00 0.00 C ATOM 1524 CD1 TYR A 127 8.481 13.292 -1.927 1.00 0.00 C ATOM 1525 CD2 TYR A 127 8.564 15.664 -1.459 1.00 0.00 C ATOM 1526 CE1 TYR A 127 9.875 13.261 -2.083 1.00 0.00 C ATOM 1527 CE2 TYR A 127 9.959 15.657 -1.667 1.00 0.00 C ATOM 1528 CZ TYR A 127 10.625 14.448 -1.977 1.00 0.00 C ATOM 1529 OH TYR A 127 11.973 14.396 -2.151 1.00 0.00 O ATOM 0 H TYR A 127 3.811 13.317 0.327 1.00 0.00 H new ATOM 0 HA TYR A 127 5.454 12.611 -0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 127 5.789 14.276 -2.273 1.00 0.00 H new ATOM 0 HB3 TYR A 127 6.003 15.477 -1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.913 12.384 -2.068 1.00 0.00 H new ATOM 0 HD2 TYR A 127 8.069 16.587 -1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 127 10.374 12.325 -2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 127 10.520 16.577 -1.589 1.00 0.00 H new ATOM 0 HH TYR A 127 12.351 15.294 -2.049 1.00 0.00 H new ATOM 1539 N ILE A 128 7.237 11.683 0.569 1.00 0.00 N ATOM 1540 CA ILE A 128 8.340 11.043 1.279 1.00 0.00 C ATOM 1541 C ILE A 128 8.986 10.096 0.275 1.00 0.00 C ATOM 1542 O ILE A 128 8.303 9.201 -0.233 1.00 0.00 O ATOM 1543 CB ILE A 128 7.880 10.289 2.545 1.00 0.00 C ATOM 1544 CG1 ILE A 128 7.133 11.228 3.508 1.00 0.00 C ATOM 1545 CG2 ILE A 128 9.037 9.564 3.259 1.00 0.00 C ATOM 1546 CD1 ILE A 128 8.016 12.279 4.185 1.00 0.00 C ATOM 0 H ILE A 128 6.740 11.035 -0.043 1.00 0.00 H new ATOM 0 HA ILE A 128 9.043 11.793 1.642 1.00 0.00 H new ATOM 0 HB ILE A 128 7.187 9.516 2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.342 11.737 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 128 6.650 10.627 4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 128 8.655 9.051 4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 128 9.484 8.836 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 128 9.792 10.291 3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 128 7.406 12.896 4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 128 8.792 11.782 4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 128 8.479 12.909 3.426 1.00 0.00 H new ATOM 1558 N PRO A 129 10.271 10.287 -0.052 1.00 0.00 N ATOM 1559 CA PRO A 129 10.922 9.419 -1.000 1.00 0.00 C ATOM 1560 C PRO A 129 11.036 8.022 -0.380 1.00 0.00 C ATOM 1561 O PRO A 129 11.285 7.893 0.824 1.00 0.00 O ATOM 1562 CB PRO A 129 12.292 10.045 -1.267 1.00 0.00 C ATOM 1563 CG PRO A 129 12.535 11.035 -0.124 1.00 0.00 C ATOM 1564 CD PRO A 129 11.258 11.021 0.712 1.00 0.00 C ATOM 0 HA PRO A 129 10.375 9.313 -1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 129 13.070 9.283 -1.295 1.00 0.00 H new ATOM 0 HB3 PRO A 129 12.308 10.552 -2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 129 13.397 10.739 0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 129 12.741 12.034 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.432 10.546 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.916 12.036 0.913 1.00 0.00 H new ATOM 1572 N PRO A 130 10.980 6.960 -1.191 1.00 0.00 N ATOM 1573 CA PRO A 130 11.214 5.601 -0.723 1.00 0.00 C ATOM 1574 C PRO A 130 12.674 5.358 -0.281 1.00 0.00 C ATOM 1575 O PRO A 130 13.016 4.246 0.116 1.00 0.00 O ATOM 1576 CB PRO A 130 10.754 4.705 -1.875 1.00 0.00 C ATOM 1577 CG PRO A 130 10.992 5.573 -3.104 1.00 0.00 C ATOM 1578 CD PRO A 130 10.691 6.979 -2.613 1.00 0.00 C ATOM 0 HA PRO A 130 10.655 5.381 0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.327 3.779 -1.919 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.705 4.427 -1.775 1.00 0.00 H new ATOM 0 HG2 PRO A 130 12.017 5.485 -3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 130 10.339 5.288 -3.929 1.00 0.00 H new ATOM 0 HD2 PRO A 130 11.306 7.716 -3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 130 9.651 7.246 -2.799 1.00 0.00 H new ATOM 1586 N GLU A 131 13.525 6.388 -0.312 1.00 0.00 N ATOM 1587 CA GLU A 131 14.861 6.402 0.269 1.00 0.00 C ATOM 1588 C GLU A 131 14.825 6.619 1.789 1.00 0.00 C ATOM 1589 O GLU A 131 15.769 6.254 2.488 1.00 0.00 O ATOM 1590 CB GLU A 131 15.655 7.544 -0.392 1.00 0.00 C ATOM 1591 CG GLU A 131 17.176 7.317 -0.321 1.00 0.00 C ATOM 1592 CD GLU A 131 17.863 7.173 -1.686 1.00 0.00 C ATOM 1593 OE1 GLU A 131 17.248 6.713 -2.679 1.00 0.00 O ATOM 1594 OE2 GLU A 131 19.057 7.548 -1.780 1.00 0.00 O ATOM 0 H GLU A 131 13.286 7.271 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 131 15.331 5.435 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 131 15.352 7.637 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 131 15.407 8.486 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 131 17.630 8.151 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 131 17.369 6.419 0.265 1.00 0.00 H new ATOM 1602 N LEU A 132 13.754 7.237 2.304 1.00 0.00 N ATOM 1603 CA LEU A 132 13.604 7.554 3.725 1.00 0.00 C ATOM 1604 C LEU A 132 12.764 6.499 4.429 1.00 0.00 C ATOM 1605 O LEU A 132 13.048 6.157 5.574 1.00 0.00 O ATOM 1606 CB LEU A 132 12.967 8.942 3.923 1.00 0.00 C ATOM 1607 CG LEU A 132 13.936 10.121 3.721 1.00 0.00 C ATOM 1608 CD1 LEU A 132 13.176 11.439 3.943 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.110 10.096 4.708 1.00 0.00 C ATOM 0 H LEU A 132 12.960 7.533 1.737 1.00 0.00 H new ATOM 0 HA LEU A 132 14.602 7.564 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.134 9.049 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 132 12.551 8.997 4.929 1.00 0.00 H new ATOM 0 HG LEU A 132 14.331 10.038 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 132 13.856 12.279 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 132 12.356 11.511 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.776 11.462 4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 132 15.761 10.950 4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 132 14.729 10.148 5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 132 15.675 9.173 4.578 1.00 0.00 H new ATOM 1621 N TRP A 133 11.772 5.931 3.747 1.00 0.00 N ATOM 1622 CA TRP A 133 10.915 4.881 4.297 1.00 0.00 C ATOM 1623 C TRP A 133 11.617 3.510 4.390 1.00 0.00 C ATOM 1624 O TRP A 133 10.958 2.545 4.777 1.00 0.00 O ATOM 1625 CB TRP A 133 9.591 4.889 3.526 1.00 0.00 C ATOM 1626 CG TRP A 133 9.344 3.860 2.477 1.00 0.00 C ATOM 1627 CD1 TRP A 133 10.219 3.379 1.576 1.00 0.00 C ATOM 1628 CD2 TRP A 133 8.122 3.108 2.282 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.611 2.396 0.825 1.00 0.00 N ATOM 1630 CE2 TRP A 133 8.337 2.132 1.273 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.867 3.140 2.908 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 7.363 1.183 0.933 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.864 2.223 2.547 1.00 0.00 C ATOM 1634 CH2 TRP A 133 6.115 1.233 1.579 1.00 0.00 C ATOM 0 H TRP A 133 11.538 6.188 2.788 1.00 0.00 H new ATOM 0 HA TRP A 133 10.689 5.092 5.342 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.787 4.808 4.258 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.495 5.866 3.053 1.00 0.00 H new ATOM 0 HD1 TRP A 133 11.240 3.711 1.459 1.00 0.00 H new ATOM 0 HE1 TRP A 133 10.051 1.923 0.035 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.669 3.875 3.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.567 0.428 0.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 4.893 2.279 3.017 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.350 0.512 1.332 1.00 0.00 H new ATOM 1645 N ASP A 134 12.911 3.441 4.020 1.00 0.00 N ATOM 1646 CA ASP A 134 13.766 2.273 3.743 1.00 0.00 C ATOM 1647 C ASP A 134 13.367 0.992 4.498 1.00 0.00 C ATOM 1648 O ASP A 134 13.842 0.721 5.605 1.00 0.00 O ATOM 1649 CB ASP A 134 15.268 2.596 3.843 1.00 0.00 C ATOM 1650 CG ASP A 134 15.837 2.762 5.251 1.00 0.00 C ATOM 1651 OD1 ASP A 134 16.815 2.058 5.588 1.00 0.00 O ATOM 1652 OD2 ASP A 134 15.382 3.670 5.988 1.00 0.00 O ATOM 0 H ASP A 134 13.442 4.303 3.894 1.00 0.00 H new ATOM 0 HA ASP A 134 13.574 2.033 2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.822 1.802 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 134 15.457 3.515 3.288 1.00 0.00 H new ATOM 1658 N PRO A 135 12.456 0.194 3.912 1.00 0.00 N ATOM 1659 CA PRO A 135 11.721 -0.804 4.668 1.00 0.00 C ATOM 1660 C PRO A 135 12.587 -2.040 4.909 1.00 0.00 C ATOM 1661 O PRO A 135 12.859 -2.409 6.050 1.00 0.00 O ATOM 1662 CB PRO A 135 10.482 -1.095 3.827 1.00 0.00 C ATOM 1663 CG PRO A 135 10.876 -0.743 2.395 1.00 0.00 C ATOM 1664 CD PRO A 135 11.883 0.375 2.588 1.00 0.00 C ATOM 0 HA PRO A 135 11.437 -0.464 5.664 1.00 0.00 H new ATOM 0 HB2 PRO A 135 10.188 -2.142 3.908 1.00 0.00 H new ATOM 0 HB3 PRO A 135 9.632 -0.499 4.159 1.00 0.00 H new ATOM 0 HG2 PRO A 135 11.313 -1.595 1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 135 10.017 -0.417 1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 135 12.657 0.335 1.822 1.00 0.00 H new ATOM 0 HD3 PRO A 135 11.401 1.349 2.504 1.00 0.00 H new ATOM 1672 N GLY A 136 13.040 -2.675 3.827 1.00 0.00 N ATOM 1673 CA GLY A 136 14.145 -3.604 3.841 1.00 0.00 C ATOM 1674 C GLY A 136 14.722 -3.585 2.445 1.00 0.00 C ATOM 1675 O GLY A 136 14.460 -4.481 1.650 1.00 0.00 O ATOM 0 H GLY A 136 12.632 -2.547 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.893 -3.309 4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.810 -4.605 4.111 1.00 0.00 H new ATOM 1679 N ILE A 137 15.449 -2.518 2.112 1.00 0.00 N ATOM 1680 CA ILE A 137 16.076 -2.390 0.799 1.00 0.00 C ATOM 1681 C ILE A 137 17.150 -3.480 0.640 1.00 0.00 C ATOM 1682 O ILE A 137 17.485 -3.834 -0.492 1.00 0.00 O ATOM 1683 CB ILE A 137 16.599 -0.943 0.602 1.00 0.00 C ATOM 1684 CG1 ILE A 137 15.401 0.041 0.640 1.00 0.00 C ATOM 1685 CG2 ILE A 137 17.393 -0.796 -0.707 1.00 0.00 C ATOM 1686 CD1 ILE A 137 15.759 1.515 0.414 1.00 0.00 C ATOM 0 H ILE A 137 15.618 -1.729 2.736 1.00 0.00 H new ATOM 0 HA ILE A 137 15.352 -2.553 0.001 1.00 0.00 H new ATOM 0 HB ILE A 137 17.287 -0.708 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 137 14.679 -0.261 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.906 -0.052 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 137 17.742 0.232 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 137 18.250 -1.470 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.751 -1.046 -1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.854 2.120 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 137 16.454 1.843 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 137 16.224 1.631 -0.565 1.00 0.00 H new