USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 832 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 51 THR OG1 : rot 163:sc= 0.892 USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= -1.75 USER MOD Set 2.2: A 53 MET CE :methyl -176:sc= -8.25! (180deg=-8.34!) USER MOD Set 3.1: A 18 SER OG : rot 5:sc= 0.704 USER MOD Set 3.2: A 78 ASN : amide:sc= -1 K(o=0.19,f=-2.1!) USER MOD Set 3.3: A 80 THR OG1 : rot -55:sc= 0.489 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -25.4! C(o=-25!,f=-33!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0433 USER MOD Single : A 23 TYR OH : rot 58:sc= 0.00491 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -3.62! C(o=-4.2!,f=-3.6!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0418 K(o=-0.042,f=-1.7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -120:sc= -1.32 (180deg=-3.02!) USER MOD Single : A 56 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.8) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 121:sc= -0.16 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 76 GLN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 82 GLN : amide:sc= -3.58! C(o=-3.6!,f=-3.4!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 99:sc= 0.264 USER MOD Single : A 92 TYR OH : rot 147:sc= 1.27 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -157:sc= -2.89 (180deg=-5.04!) USER MOD Single : A 104 TYR OH : rot 175:sc= -3.06 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.0426 F(o=-0.7,f=-0.043) USER MOD Single : A 113 THR OG1 : rot -48:sc= 1.07 USER MOD Single : A 114 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.72) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N HIS A 2 -6.411 6.175 2.804 1.00 0.00 N ATOM 31 CA HIS A 2 -7.364 5.366 1.986 1.00 0.00 C ATOM 32 C HIS A 2 -6.600 4.429 1.046 1.00 0.00 C ATOM 33 O HIS A 2 -5.706 4.845 0.333 1.00 0.00 O ATOM 34 CB HIS A 2 -8.166 6.393 1.187 1.00 0.00 C ATOM 35 CG HIS A 2 -8.959 7.256 2.129 1.00 0.00 C ATOM 36 ND1 HIS A 2 -10.155 6.836 2.688 1.00 0.00 N ATOM 37 CD2 HIS A 2 -8.738 8.519 2.621 1.00 0.00 C ATOM 38 CE1 HIS A 2 -10.605 7.830 3.476 1.00 0.00 C ATOM 39 NE2 HIS A 2 -9.779 8.879 3.471 1.00 0.00 N ATOM 0 HA HIS A 2 -8.005 4.736 2.603 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -7.494 7.010 0.591 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -8.835 5.886 0.492 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -7.886 9.139 2.384 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -11.523 7.785 4.043 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -9.888 9.756 3.981 1.00 0.00 H new ATOM 47 N VAL A 3 -6.953 3.169 1.039 1.00 0.00 N ATOM 48 CA VAL A 3 -6.261 2.192 0.147 1.00 0.00 C ATOM 49 C VAL A 3 -7.252 1.108 -0.296 1.00 0.00 C ATOM 50 O VAL A 3 -8.198 0.803 0.407 1.00 0.00 O ATOM 51 CB VAL A 3 -5.142 1.597 1.010 1.00 0.00 C ATOM 52 CG1 VAL A 3 -4.392 0.513 0.225 1.00 0.00 C ATOM 53 CG2 VAL A 3 -4.167 2.710 1.410 1.00 0.00 C ATOM 0 H VAL A 3 -7.695 2.773 1.616 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.866 2.650 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.576 1.149 1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.599 0.097 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.086 -0.279 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.957 0.950 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.369 2.292 2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.738 3.158 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.699 3.473 1.978 1.00 0.00 H new ATOM 63 N ALA A 4 -7.049 0.533 -1.458 1.00 0.00 N ATOM 64 CA ALA A 4 -7.997 -0.526 -1.941 1.00 0.00 C ATOM 65 C ALA A 4 -7.249 -1.778 -2.416 1.00 0.00 C ATOM 66 O ALA A 4 -6.285 -1.699 -3.153 1.00 0.00 O ATOM 67 CB ALA A 4 -8.749 0.113 -3.106 1.00 0.00 C ATOM 0 H ALA A 4 -6.276 0.747 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.663 -0.853 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.463 -0.602 -3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.281 0.997 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.040 0.401 -3.882 1.00 0.00 H new ATOM 73 N GLN A 5 -7.707 -2.934 -2.001 1.00 0.00 N ATOM 74 CA GLN A 5 -7.053 -4.210 -2.423 1.00 0.00 C ATOM 75 C GLN A 5 -8.066 -5.363 -2.468 1.00 0.00 C ATOM 76 O GLN A 5 -8.994 -5.389 -1.684 1.00 0.00 O ATOM 77 CB GLN A 5 -6.019 -4.514 -1.344 1.00 0.00 C ATOM 78 CG GLN A 5 -4.837 -3.564 -1.467 1.00 0.00 C ATOM 79 CD GLN A 5 -3.704 -4.078 -0.583 1.00 0.00 C ATOM 80 OE1 GLN A 5 -3.687 -3.833 0.605 1.00 0.00 O ATOM 81 NE2 GLN A 5 -2.759 -4.805 -1.113 1.00 0.00 N ATOM 0 H GLN A 5 -8.511 -3.048 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.619 -4.110 -3.418 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.472 -4.416 -0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.678 -5.545 -1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.509 -3.501 -2.504 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.127 -2.558 -1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.773 -5.011 -2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.006 -5.167 -0.528 1.00 0.00 H new ATOM 90 N PRO A 6 -7.832 -6.315 -3.348 1.00 0.00 N ATOM 91 CA PRO A 6 -8.722 -7.497 -3.418 1.00 0.00 C ATOM 92 C PRO A 6 -8.483 -8.353 -2.175 1.00 0.00 C ATOM 93 O PRO A 6 -7.363 -8.502 -1.731 1.00 0.00 O ATOM 94 CB PRO A 6 -8.278 -8.215 -4.690 1.00 0.00 C ATOM 95 CG PRO A 6 -6.866 -7.779 -4.907 1.00 0.00 C ATOM 96 CD PRO A 6 -6.744 -6.389 -4.339 1.00 0.00 C ATOM 0 HA PRO A 6 -9.786 -7.261 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.344 -9.297 -4.576 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.909 -7.945 -5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.172 -8.460 -4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.619 -7.785 -5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.770 -6.231 -3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.856 -5.630 -5.113 1.00 0.00 H new ATOM 104 N ALA A 7 -9.517 -8.898 -1.599 1.00 0.00 N ATOM 105 CA ALA A 7 -9.330 -9.724 -0.368 1.00 0.00 C ATOM 106 C ALA A 7 -8.547 -10.989 -0.678 1.00 0.00 C ATOM 107 O ALA A 7 -7.975 -11.588 0.217 1.00 0.00 O ATOM 108 CB ALA A 7 -10.740 -10.061 0.121 1.00 0.00 C ATOM 0 H ALA A 7 -10.480 -8.810 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.760 -9.188 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.677 -10.668 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.279 -9.139 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.270 -10.616 -0.653 1.00 0.00 H new ATOM 114 N VAL A 8 -8.500 -11.410 -1.919 1.00 0.00 N ATOM 115 CA VAL A 8 -7.737 -12.632 -2.218 1.00 0.00 C ATOM 116 C VAL A 8 -7.298 -12.640 -3.678 1.00 0.00 C ATOM 117 O VAL A 8 -7.792 -11.884 -4.495 1.00 0.00 O ATOM 118 CB VAL A 8 -8.714 -13.776 -1.900 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.736 -14.061 -3.029 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.935 -15.031 -1.579 1.00 0.00 C ATOM 0 H VAL A 8 -8.952 -10.961 -2.715 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.819 -12.718 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.299 -13.454 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.390 -14.880 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.334 -13.168 -3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.204 -14.335 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.628 -15.842 -1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.320 -15.307 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.294 -14.851 -0.716 1.00 0.00 H new ATOM 130 N VAL A 9 -6.404 -13.513 -4.001 1.00 0.00 N ATOM 131 CA VAL A 9 -5.936 -13.627 -5.404 1.00 0.00 C ATOM 132 C VAL A 9 -5.805 -15.102 -5.780 1.00 0.00 C ATOM 133 O VAL A 9 -5.606 -15.954 -4.936 1.00 0.00 O ATOM 134 CB VAL A 9 -4.585 -12.905 -5.449 1.00 0.00 C ATOM 135 CG1 VAL A 9 -3.800 -13.259 -6.722 1.00 0.00 C ATOM 136 CG2 VAL A 9 -4.818 -11.400 -5.441 1.00 0.00 C ATOM 0 H VAL A 9 -5.968 -14.164 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.630 -13.183 -6.118 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.010 -13.220 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.847 -12.729 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.618 -14.333 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.377 -12.966 -7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.859 -10.883 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.411 -11.119 -6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.351 -11.119 -4.533 1.00 0.00 H new ATOM 146 N LEU A 10 -5.906 -15.395 -7.045 1.00 0.00 N ATOM 147 CA LEU A 10 -5.779 -16.809 -7.500 1.00 0.00 C ATOM 148 C LEU A 10 -4.470 -16.977 -8.272 1.00 0.00 C ATOM 149 O LEU A 10 -4.161 -16.204 -9.160 1.00 0.00 O ATOM 150 CB LEU A 10 -6.989 -17.047 -8.406 1.00 0.00 C ATOM 151 CG LEU A 10 -8.277 -16.923 -7.584 1.00 0.00 C ATOM 152 CD1 LEU A 10 -9.487 -17.064 -8.509 1.00 0.00 C ATOM 153 CD2 LEU A 10 -8.323 -18.024 -6.519 1.00 0.00 C ATOM 0 H LEU A 10 -6.072 -14.715 -7.787 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.758 -17.521 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.994 -16.323 -9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.928 -18.037 -8.859 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.298 -15.948 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.403 -16.976 -7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.461 -16.279 -9.264 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.460 -18.038 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.241 -17.930 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.298 -19.000 -7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.463 -17.926 -5.857 1.00 0.00 H new ATOM 165 N ALA A 11 -3.692 -17.971 -7.929 1.00 0.00 N ATOM 166 CA ALA A 11 -2.390 -18.183 -8.627 1.00 0.00 C ATOM 167 C ALA A 11 -2.504 -19.305 -9.659 1.00 0.00 C ATOM 168 O ALA A 11 -3.014 -20.373 -9.377 1.00 0.00 O ATOM 169 CB ALA A 11 -1.409 -18.574 -7.524 1.00 0.00 C ATOM 0 H ALA A 11 -3.903 -18.646 -7.194 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.070 -17.292 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.424 -18.748 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.346 -17.770 -6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.756 -19.484 -7.035 1.00 0.00 H new ATOM 175 N SER A 12 -2.015 -19.068 -10.848 1.00 0.00 N ATOM 176 CA SER A 12 -2.072 -20.118 -11.910 1.00 0.00 C ATOM 177 C SER A 12 -1.110 -21.254 -11.558 1.00 0.00 C ATOM 178 O SER A 12 -0.380 -21.177 -10.587 1.00 0.00 O ATOM 179 CB SER A 12 -1.631 -19.417 -13.196 1.00 0.00 C ATOM 180 OG SER A 12 -0.244 -19.119 -13.116 1.00 0.00 O ATOM 0 H SER A 12 -1.578 -18.191 -11.131 1.00 0.00 H new ATOM 0 HA SER A 12 -3.066 -20.553 -12.014 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.829 -20.055 -14.058 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.204 -18.501 -13.339 1.00 0.00 H new ATOM 0 HG SER A 12 0.042 -18.671 -13.939 1.00 0.00 H new ATOM 186 N SER A 13 -1.098 -22.307 -12.339 1.00 0.00 N ATOM 187 CA SER A 13 -0.179 -23.452 -12.042 1.00 0.00 C ATOM 188 C SER A 13 1.276 -22.971 -12.065 1.00 0.00 C ATOM 189 O SER A 13 2.101 -23.427 -11.295 1.00 0.00 O ATOM 190 CB SER A 13 -0.423 -24.467 -13.160 1.00 0.00 C ATOM 191 OG SER A 13 -0.038 -23.898 -14.404 1.00 0.00 O ATOM 0 H SER A 13 -1.682 -22.424 -13.167 1.00 0.00 H new ATOM 0 HA SER A 13 -0.363 -23.884 -11.058 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.147 -25.377 -12.971 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.475 -24.750 -13.187 1.00 0.00 H new ATOM 0 HG SER A 13 -0.192 -24.547 -15.122 1.00 0.00 H new ATOM 197 N ARG A 14 1.588 -22.044 -12.934 1.00 0.00 N ATOM 198 CA ARG A 14 2.984 -21.513 -13.007 1.00 0.00 C ATOM 199 C ARG A 14 3.378 -20.880 -11.671 1.00 0.00 C ATOM 200 O ARG A 14 4.527 -20.910 -11.273 1.00 0.00 O ATOM 201 CB ARG A 14 2.961 -20.455 -14.112 1.00 0.00 C ATOM 202 CG ARG A 14 4.377 -19.921 -14.330 1.00 0.00 C ATOM 203 CD ARG A 14 5.182 -20.926 -15.155 1.00 0.00 C ATOM 204 NE ARG A 14 6.535 -20.306 -15.326 1.00 0.00 N ATOM 205 CZ ARG A 14 7.464 -20.878 -16.067 1.00 0.00 C ATOM 206 NH1 ARG A 14 7.245 -22.016 -16.688 1.00 0.00 N ATOM 207 NH2 ARG A 14 8.628 -20.301 -16.188 1.00 0.00 N ATOM 0 H ARG A 14 0.934 -21.630 -13.599 1.00 0.00 H new ATOM 0 HA ARG A 14 3.709 -22.300 -13.217 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.576 -20.886 -15.036 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.291 -19.640 -13.837 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.339 -18.960 -14.844 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.864 -19.750 -13.370 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.252 -21.887 -14.645 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.709 -21.111 -16.120 1.00 0.00 H new ATOM 0 HE ARG A 14 6.742 -19.423 -14.860 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.339 -22.477 -16.603 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.981 -22.437 -17.255 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.811 -19.418 -15.712 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.355 -20.733 -16.758 1.00 0.00 H new ATOM 221 N GLY A 15 2.428 -20.302 -10.983 1.00 0.00 N ATOM 222 CA GLY A 15 2.729 -19.655 -9.673 1.00 0.00 C ATOM 223 C GLY A 15 2.852 -18.145 -9.875 1.00 0.00 C ATOM 224 O GLY A 15 3.627 -17.481 -9.213 1.00 0.00 O ATOM 0 H GLY A 15 1.452 -20.251 -11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.939 -19.875 -8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.655 -20.055 -9.260 1.00 0.00 H new ATOM 228 N ILE A 16 2.084 -17.600 -10.784 1.00 0.00 N ATOM 229 CA ILE A 16 2.136 -16.134 -11.039 1.00 0.00 C ATOM 230 C ILE A 16 0.889 -15.470 -10.434 1.00 0.00 C ATOM 231 O ILE A 16 -0.183 -15.502 -11.008 1.00 0.00 O ATOM 232 CB ILE A 16 2.180 -15.992 -12.587 1.00 0.00 C ATOM 233 CG1 ILE A 16 3.608 -16.232 -13.133 1.00 0.00 C ATOM 234 CG2 ILE A 16 1.749 -14.576 -13.010 1.00 0.00 C ATOM 235 CD1 ILE A 16 4.239 -17.508 -12.560 1.00 0.00 C ATOM 0 H ILE A 16 1.420 -18.114 -11.363 1.00 0.00 H new ATOM 0 HA ILE A 16 2.999 -15.647 -10.585 1.00 0.00 H new ATOM 0 HB ILE A 16 1.499 -16.739 -12.995 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.573 -16.302 -14.220 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.237 -15.376 -12.889 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.786 -14.494 -14.096 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.732 -14.387 -12.666 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.424 -13.843 -12.568 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.240 -17.635 -12.971 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.300 -17.428 -11.475 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.625 -18.369 -12.826 1.00 0.00 H new ATOM 247 N ALA A 17 1.041 -14.852 -9.296 1.00 0.00 N ATOM 248 CA ALA A 17 -0.113 -14.155 -8.654 1.00 0.00 C ATOM 249 C ALA A 17 0.083 -12.646 -8.785 1.00 0.00 C ATOM 250 O ALA A 17 1.090 -12.110 -8.359 1.00 0.00 O ATOM 251 CB ALA A 17 -0.086 -14.564 -7.180 1.00 0.00 C ATOM 0 H ALA A 17 1.919 -14.798 -8.779 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.064 -14.418 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.911 -14.083 -6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.187 -15.646 -7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.859 -14.254 -6.734 1.00 0.00 H new ATOM 257 N SER A 18 -0.858 -11.960 -9.377 1.00 0.00 N ATOM 258 CA SER A 18 -0.707 -10.483 -9.539 1.00 0.00 C ATOM 259 C SER A 18 -1.972 -9.742 -9.103 1.00 0.00 C ATOM 260 O SER A 18 -3.073 -10.068 -9.503 1.00 0.00 O ATOM 261 CB SER A 18 -0.447 -10.259 -11.029 1.00 0.00 C ATOM 262 OG SER A 18 -0.196 -8.878 -11.253 1.00 0.00 O ATOM 0 H SER A 18 -1.720 -12.355 -9.754 1.00 0.00 H new ATOM 0 HA SER A 18 0.103 -10.100 -8.918 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.405 -10.854 -11.356 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.307 -10.585 -11.614 1.00 0.00 H new ATOM 0 HG SER A 18 -0.172 -8.406 -10.394 1.00 0.00 H new ATOM 268 N PHE A 19 -1.802 -8.727 -8.304 1.00 0.00 N ATOM 269 CA PHE A 19 -2.959 -7.906 -7.837 1.00 0.00 C ATOM 270 C PHE A 19 -2.530 -6.448 -7.723 1.00 0.00 C ATOM 271 O PHE A 19 -1.352 -6.146 -7.667 1.00 0.00 O ATOM 272 CB PHE A 19 -3.385 -8.482 -6.482 1.00 0.00 C ATOM 273 CG PHE A 19 -2.215 -8.541 -5.526 1.00 0.00 C ATOM 274 CD1 PHE A 19 -1.338 -9.659 -5.562 1.00 0.00 C ATOM 275 CD2 PHE A 19 -2.000 -7.498 -4.585 1.00 0.00 C ATOM 276 CE1 PHE A 19 -0.245 -9.734 -4.660 1.00 0.00 C ATOM 277 CE2 PHE A 19 -0.906 -7.574 -3.679 1.00 0.00 C ATOM 278 CZ PHE A 19 -0.029 -8.694 -3.719 1.00 0.00 C ATOM 0 H PHE A 19 -0.895 -8.425 -7.947 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.797 -7.940 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.178 -7.868 -6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.796 -9.482 -6.621 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.504 -10.452 -6.276 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.666 -6.649 -4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.422 -10.583 -4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.741 -6.783 -2.962 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.802 -8.753 -3.032 1.00 0.00 H new ATOM 288 N VAL A 20 -3.469 -5.539 -7.722 1.00 0.00 N ATOM 289 CA VAL A 20 -3.102 -4.092 -7.651 1.00 0.00 C ATOM 290 C VAL A 20 -3.631 -3.435 -6.370 1.00 0.00 C ATOM 291 O VAL A 20 -4.812 -3.464 -6.083 1.00 0.00 O ATOM 292 CB VAL A 20 -3.740 -3.463 -8.892 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.461 -1.957 -8.922 1.00 0.00 C ATOM 294 CG2 VAL A 20 -3.152 -4.108 -10.150 1.00 0.00 C ATOM 0 H VAL A 20 -4.469 -5.733 -7.767 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.021 -3.954 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.817 -3.628 -8.859 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.919 -1.520 -9.809 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.880 -1.491 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.385 -1.787 -8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.606 -3.661 -11.034 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.075 -3.945 -10.173 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.356 -5.179 -10.139 1.00 0.00 H new ATOM 304 N CYS A 21 -2.754 -2.819 -5.620 1.00 0.00 N ATOM 305 CA CYS A 21 -3.174 -2.121 -4.370 1.00 0.00 C ATOM 306 C CYS A 21 -3.113 -0.609 -4.609 1.00 0.00 C ATOM 307 O CYS A 21 -2.046 -0.030 -4.672 1.00 0.00 O ATOM 308 CB CYS A 21 -2.141 -2.552 -3.325 1.00 0.00 C ATOM 309 SG CYS A 21 -2.614 -1.934 -1.691 1.00 0.00 S ATOM 0 H CYS A 21 -1.756 -2.770 -5.823 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.188 -2.363 -4.053 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.066 -3.639 -3.303 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.157 -2.170 -3.596 1.00 0.00 H new ATOM 314 N GLU A 22 -4.240 0.037 -4.758 1.00 0.00 N ATOM 315 CA GLU A 22 -4.214 1.505 -5.026 1.00 0.00 C ATOM 316 C GLU A 22 -4.000 2.296 -3.736 1.00 0.00 C ATOM 317 O GLU A 22 -4.351 1.856 -2.659 1.00 0.00 O ATOM 318 CB GLU A 22 -5.562 1.823 -5.681 1.00 0.00 C ATOM 319 CG GLU A 22 -6.689 1.690 -4.671 1.00 0.00 C ATOM 320 CD GLU A 22 -8.031 1.875 -5.384 1.00 0.00 C ATOM 321 OE1 GLU A 22 -8.174 1.354 -6.478 1.00 0.00 O ATOM 322 OE2 GLU A 22 -8.891 2.536 -4.826 1.00 0.00 O ATOM 0 H GLU A 22 -5.168 -0.383 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.387 1.787 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.546 2.835 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.735 1.147 -6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.650 0.712 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.577 2.435 -3.883 1.00 0.00 H new ATOM 329 N TYR A 23 -3.414 3.460 -3.850 1.00 0.00 N ATOM 330 CA TYR A 23 -3.161 4.286 -2.652 1.00 0.00 C ATOM 331 C TYR A 23 -3.442 5.759 -2.984 1.00 0.00 C ATOM 332 O TYR A 23 -3.791 6.097 -4.099 1.00 0.00 O ATOM 333 CB TYR A 23 -1.677 4.042 -2.312 1.00 0.00 C ATOM 334 CG TYR A 23 -0.760 4.668 -3.349 1.00 0.00 C ATOM 335 CD1 TYR A 23 -0.404 3.949 -4.521 1.00 0.00 C ATOM 336 CD2 TYR A 23 -0.252 5.980 -3.140 1.00 0.00 C ATOM 337 CE1 TYR A 23 0.458 4.541 -5.484 1.00 0.00 C ATOM 338 CE2 TYR A 23 0.610 6.571 -4.102 1.00 0.00 C ATOM 339 CZ TYR A 23 0.965 5.851 -5.274 1.00 0.00 C ATOM 340 OH TYR A 23 1.802 6.425 -6.209 1.00 0.00 O ATOM 0 H TYR A 23 -3.101 3.868 -4.731 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.799 4.033 -1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.454 4.458 -1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.487 2.970 -2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -0.788 2.952 -4.681 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.522 6.527 -2.249 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.727 3.994 -6.376 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.995 7.567 -3.942 1.00 0.00 H new ATOM 0 HH TYR A 23 1.347 6.462 -7.076 1.00 0.00 H new ATOM 350 N ALA A 24 -3.289 6.624 -2.025 1.00 0.00 N ATOM 351 CA ALA A 24 -3.543 8.077 -2.269 1.00 0.00 C ATOM 352 C ALA A 24 -2.382 8.921 -1.737 1.00 0.00 C ATOM 353 O ALA A 24 -1.988 8.797 -0.593 1.00 0.00 O ATOM 354 CB ALA A 24 -4.826 8.387 -1.498 1.00 0.00 C ATOM 0 H ALA A 24 -2.998 6.391 -1.076 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.636 8.305 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.082 9.439 -1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.638 7.767 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.674 8.177 -0.439 1.00 0.00 H new ATOM 360 N SER A 25 -1.837 9.782 -2.560 1.00 0.00 N ATOM 361 CA SER A 25 -0.704 10.643 -2.107 1.00 0.00 C ATOM 362 C SER A 25 -0.863 12.067 -2.665 1.00 0.00 C ATOM 363 O SER A 25 -1.398 12.244 -3.741 1.00 0.00 O ATOM 364 CB SER A 25 0.546 9.981 -2.682 1.00 0.00 C ATOM 365 OG SER A 25 0.491 10.027 -4.102 1.00 0.00 O ATOM 0 H SER A 25 -2.129 9.925 -3.527 1.00 0.00 H new ATOM 0 HA SER A 25 -0.659 10.730 -1.021 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.440 10.493 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.613 8.947 -2.342 1.00 0.00 H new ATOM 0 HG SER A 25 1.293 9.604 -4.474 1.00 0.00 H new ATOM 371 N PRO A 26 -0.391 13.046 -1.920 1.00 0.00 N ATOM 372 CA PRO A 26 -0.497 14.455 -2.378 1.00 0.00 C ATOM 373 C PRO A 26 0.504 14.734 -3.504 1.00 0.00 C ATOM 374 O PRO A 26 1.633 14.283 -3.467 1.00 0.00 O ATOM 375 CB PRO A 26 -0.149 15.267 -1.134 1.00 0.00 C ATOM 376 CG PRO A 26 0.693 14.358 -0.297 1.00 0.00 C ATOM 377 CD PRO A 26 0.270 12.945 -0.608 1.00 0.00 C ATOM 0 HA PRO A 26 -1.481 14.697 -2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.393 16.176 -1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.048 15.574 -0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.751 14.501 -0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.558 14.576 0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.127 12.272 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.409 12.556 0.151 1.00 0.00 H new ATOM 385 N GLY A 27 0.099 15.484 -4.500 1.00 0.00 N ATOM 386 CA GLY A 27 1.022 15.813 -5.633 1.00 0.00 C ATOM 387 C GLY A 27 1.572 14.528 -6.260 1.00 0.00 C ATOM 388 O GLY A 27 0.983 13.469 -6.146 1.00 0.00 O ATOM 0 H GLY A 27 -0.836 15.885 -4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.491 16.395 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.844 16.431 -5.273 1.00 0.00 H new ATOM 392 N LYS A 28 2.701 14.618 -6.917 1.00 0.00 N ATOM 393 CA LYS A 28 3.305 13.409 -7.552 1.00 0.00 C ATOM 394 C LYS A 28 4.779 13.286 -7.155 1.00 0.00 C ATOM 395 O LYS A 28 5.450 14.272 -6.916 1.00 0.00 O ATOM 396 CB LYS A 28 3.175 13.645 -9.057 1.00 0.00 C ATOM 397 CG LYS A 28 1.695 13.695 -9.442 1.00 0.00 C ATOM 398 CD LYS A 28 1.568 14.007 -10.935 1.00 0.00 C ATOM 399 CE LYS A 28 2.112 12.831 -11.750 1.00 0.00 C ATOM 400 NZ LYS A 28 1.898 13.219 -13.172 1.00 0.00 N ATOM 0 H LYS A 28 3.232 15.480 -7.041 1.00 0.00 H new ATOM 0 HA LYS A 28 2.812 12.488 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.665 14.579 -9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.677 12.848 -9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.217 12.742 -9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.181 14.456 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.525 14.190 -11.192 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.119 14.916 -11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.168 12.661 -11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.587 11.907 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.246 12.462 -13.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.883 13.368 -13.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.415 14.098 -13.374 1.00 0.00 H new ATOM 414 N ALA A 29 5.285 12.081 -7.087 1.00 0.00 N ATOM 415 CA ALA A 29 6.718 11.882 -6.712 1.00 0.00 C ATOM 416 C ALA A 29 7.269 10.630 -7.398 1.00 0.00 C ATOM 417 O ALA A 29 6.528 9.727 -7.740 1.00 0.00 O ATOM 418 CB ALA A 29 6.708 11.705 -5.193 1.00 0.00 C ATOM 0 H ALA A 29 4.766 11.224 -7.276 1.00 0.00 H new ATOM 0 HA ALA A 29 7.349 12.716 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.727 11.553 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.290 12.596 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.100 10.839 -4.932 1.00 0.00 H new ATOM 424 N THR A 30 8.564 10.564 -7.594 1.00 0.00 N ATOM 425 CA THR A 30 9.157 9.366 -8.260 1.00 0.00 C ATOM 426 C THR A 30 9.311 8.229 -7.269 1.00 0.00 C ATOM 427 O THR A 30 9.065 7.080 -7.578 1.00 0.00 O ATOM 428 CB THR A 30 10.569 9.777 -8.681 1.00 0.00 C ATOM 429 OG1 THR A 30 11.309 10.153 -7.531 1.00 0.00 O ATOM 430 CG2 THR A 30 10.533 10.941 -9.645 1.00 0.00 C ATOM 0 H THR A 30 9.232 11.285 -7.322 1.00 0.00 H new ATOM 0 HA THR A 30 8.526 9.044 -9.088 1.00 0.00 H new ATOM 0 HB THR A 30 11.040 8.928 -9.177 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.215 10.415 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.551 11.211 -9.927 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.972 10.658 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.050 11.794 -9.168 1.00 0.00 H new ATOM 438 N GLU A 31 9.772 8.545 -6.097 1.00 0.00 N ATOM 439 CA GLU A 31 10.034 7.485 -5.092 1.00 0.00 C ATOM 440 C GLU A 31 8.763 7.038 -4.376 1.00 0.00 C ATOM 441 O GLU A 31 8.174 7.772 -3.605 1.00 0.00 O ATOM 442 CB GLU A 31 10.978 8.131 -4.069 1.00 0.00 C ATOM 443 CG GLU A 31 12.245 8.676 -4.756 1.00 0.00 C ATOM 444 CD GLU A 31 13.314 7.577 -4.847 1.00 0.00 C ATOM 445 OE1 GLU A 31 13.202 6.596 -4.128 1.00 0.00 O ATOM 446 OE2 GLU A 31 14.232 7.740 -5.633 1.00 0.00 O ATOM 0 H GLU A 31 9.980 9.495 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 31 10.449 6.600 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.462 8.941 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.257 7.398 -3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.999 9.038 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.634 9.526 -4.196 1.00 0.00 H new ATOM 453 N VAL A 32 8.380 5.811 -4.587 1.00 0.00 N ATOM 454 CA VAL A 32 7.194 5.256 -3.884 1.00 0.00 C ATOM 455 C VAL A 32 7.628 3.940 -3.246 1.00 0.00 C ATOM 456 O VAL A 32 7.522 2.883 -3.840 1.00 0.00 O ATOM 457 CB VAL A 32 6.127 5.033 -4.958 1.00 0.00 C ATOM 458 CG1 VAL A 32 4.878 4.413 -4.320 1.00 0.00 C ATOM 459 CG2 VAL A 32 5.757 6.377 -5.587 1.00 0.00 C ATOM 0 H VAL A 32 8.844 5.163 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 32 6.798 5.909 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 32 6.516 4.361 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.119 4.255 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.138 3.458 -3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.488 5.085 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.997 6.223 -6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.367 7.044 -4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.643 6.823 -6.039 1.00 0.00 H new ATOM 469 N ARG A 33 8.156 4.009 -2.050 1.00 0.00 N ATOM 470 CA ARG A 33 8.645 2.771 -1.371 1.00 0.00 C ATOM 471 C ARG A 33 7.510 1.763 -1.222 1.00 0.00 C ATOM 472 O ARG A 33 6.585 1.964 -0.460 1.00 0.00 O ATOM 473 CB ARG A 33 9.149 3.235 -0.001 1.00 0.00 C ATOM 474 CG ARG A 33 9.937 2.099 0.656 1.00 0.00 C ATOM 475 CD ARG A 33 10.628 2.614 1.921 1.00 0.00 C ATOM 476 NE ARG A 33 11.435 1.455 2.414 1.00 0.00 N ATOM 477 CZ ARG A 33 12.600 1.147 1.877 1.00 0.00 C ATOM 478 NH1 ARG A 33 13.097 1.829 0.870 1.00 0.00 N ATOM 479 NH2 ARG A 33 13.274 0.136 2.353 1.00 0.00 N ATOM 0 H ARG A 33 8.270 4.870 -1.514 1.00 0.00 H new ATOM 0 HA ARG A 33 9.430 2.273 -1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.782 4.116 -0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.309 3.524 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.267 1.276 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.678 1.707 -0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.262 3.474 1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.900 2.935 2.666 1.00 0.00 H new ATOM 0 HE ARG A 33 11.076 0.890 3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.580 2.619 0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.000 1.569 0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.899 -0.406 3.131 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.176 -0.112 1.947 1.00 0.00 H new ATOM 493 N VAL A 34 7.585 0.673 -1.945 1.00 0.00 N ATOM 494 CA VAL A 34 6.523 -0.362 -1.853 1.00 0.00 C ATOM 495 C VAL A 34 7.089 -1.645 -1.250 1.00 0.00 C ATOM 496 O VAL A 34 8.086 -2.176 -1.701 1.00 0.00 O ATOM 497 CB VAL A 34 6.020 -0.597 -3.282 1.00 0.00 C ATOM 498 CG1 VAL A 34 5.377 0.685 -3.810 1.00 0.00 C ATOM 499 CG2 VAL A 34 7.172 -1.005 -4.209 1.00 0.00 C ATOM 0 H VAL A 34 8.341 0.460 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 34 5.706 -0.041 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 34 5.288 -1.404 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.019 0.520 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.539 0.962 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.114 1.488 -3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.789 -1.166 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.922 -0.214 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.626 -1.926 -3.842 1.00 0.00 H new ATOM 509 N THR A 35 6.450 -2.143 -0.233 1.00 0.00 N ATOM 510 CA THR A 35 6.921 -3.399 0.416 1.00 0.00 C ATOM 511 C THR A 35 5.759 -4.384 0.528 1.00 0.00 C ATOM 512 O THR A 35 4.635 -4.010 0.820 1.00 0.00 O ATOM 513 CB THR A 35 7.444 -2.995 1.809 1.00 0.00 C ATOM 514 OG1 THR A 35 8.505 -2.061 1.662 1.00 0.00 O ATOM 515 CG2 THR A 35 7.953 -4.235 2.550 1.00 0.00 C ATOM 0 H THR A 35 5.614 -1.732 0.182 1.00 0.00 H new ATOM 0 HA THR A 35 7.706 -3.889 -0.160 1.00 0.00 H new ATOM 0 HB THR A 35 6.635 -2.542 2.381 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.838 -1.802 2.547 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.322 -3.945 3.534 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.139 -4.951 2.664 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.761 -4.693 1.980 1.00 0.00 H new ATOM 523 N VAL A 36 6.028 -5.638 0.298 1.00 0.00 N ATOM 524 CA VAL A 36 4.965 -6.671 0.400 1.00 0.00 C ATOM 525 C VAL A 36 5.254 -7.527 1.636 1.00 0.00 C ATOM 526 O VAL A 36 6.396 -7.854 1.888 1.00 0.00 O ATOM 527 CB VAL A 36 5.071 -7.481 -0.899 1.00 0.00 C ATOM 528 CG1 VAL A 36 4.079 -8.647 -0.867 1.00 0.00 C ATOM 529 CG2 VAL A 36 4.741 -6.571 -2.092 1.00 0.00 C ATOM 0 H VAL A 36 6.949 -5.993 0.041 1.00 0.00 H new ATOM 0 HA VAL A 36 3.959 -6.266 0.511 1.00 0.00 H new ATOM 0 HB VAL A 36 6.084 -7.871 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.159 -9.218 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.306 -9.294 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.065 -8.260 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.815 -7.143 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.728 -6.184 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.446 -5.740 -2.122 1.00 0.00 H new ATOM 539 N LEU A 37 4.262 -7.863 2.437 1.00 0.00 N ATOM 540 CA LEU A 37 4.564 -8.675 3.659 1.00 0.00 C ATOM 541 C LEU A 37 3.765 -9.966 3.675 1.00 0.00 C ATOM 542 O LEU A 37 2.747 -10.083 3.033 1.00 0.00 O ATOM 543 CB LEU A 37 4.134 -7.809 4.838 1.00 0.00 C ATOM 544 CG LEU A 37 4.934 -6.514 4.858 1.00 0.00 C ATOM 545 CD1 LEU A 37 4.114 -5.432 5.569 1.00 0.00 C ATOM 546 CD2 LEU A 37 6.257 -6.746 5.603 1.00 0.00 C ATOM 0 H LEU A 37 3.282 -7.616 2.300 1.00 0.00 H new ATOM 0 HA LEU A 37 5.619 -8.946 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.069 -7.586 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.284 -8.352 5.771 1.00 0.00 H new ATOM 0 HG LEU A 37 5.151 -6.192 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.680 -4.500 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.176 -5.276 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.902 -5.749 6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.833 -5.820 5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.048 -7.062 6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.830 -7.521 5.094 1.00 0.00 H new ATOM 558 N ARG A 38 4.213 -10.923 4.439 1.00 0.00 N ATOM 559 CA ARG A 38 3.470 -12.211 4.538 1.00 0.00 C ATOM 560 C ARG A 38 3.072 -12.451 5.994 1.00 0.00 C ATOM 561 O ARG A 38 3.919 -12.564 6.861 1.00 0.00 O ATOM 562 CB ARG A 38 4.454 -13.280 4.064 1.00 0.00 C ATOM 563 CG ARG A 38 3.741 -14.631 3.990 1.00 0.00 C ATOM 564 CD ARG A 38 4.771 -15.743 3.772 1.00 0.00 C ATOM 565 NE ARG A 38 5.539 -15.823 5.055 1.00 0.00 N ATOM 566 CZ ARG A 38 6.312 -16.856 5.330 1.00 0.00 C ATOM 567 NH1 ARG A 38 6.444 -17.859 4.492 1.00 0.00 N ATOM 568 NH2 ARG A 38 6.960 -16.882 6.462 1.00 0.00 N ATOM 0 H ARG A 38 5.063 -10.869 5.000 1.00 0.00 H new ATOM 0 HA ARG A 38 2.557 -12.219 3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.854 -13.014 3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.300 -13.340 4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.185 -14.811 4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.017 -14.627 3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.284 -16.691 3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.428 -15.512 2.933 1.00 0.00 H new ATOM 0 HE ARG A 38 5.463 -15.063 5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.942 -17.851 3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.048 -18.646 4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.865 -16.110 7.122 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.561 -17.675 6.687 1.00 0.00 H new ATOM 582 N GLN A 39 1.794 -12.521 6.274 1.00 0.00 N ATOM 583 CA GLN A 39 1.352 -12.745 7.684 1.00 0.00 C ATOM 584 C GLN A 39 0.983 -14.208 7.925 1.00 0.00 C ATOM 585 O GLN A 39 0.257 -14.815 7.161 1.00 0.00 O ATOM 586 CB GLN A 39 0.138 -11.840 7.871 1.00 0.00 C ATOM 587 CG GLN A 39 0.592 -10.385 7.928 1.00 0.00 C ATOM 588 CD GLN A 39 -0.632 -9.478 8.015 1.00 0.00 C ATOM 589 OE1 GLN A 39 -0.584 -8.301 7.469 1.00 0.00 O flip ATOM 590 NE2 GLN A 39 -1.641 -9.846 8.584 1.00 0.00 N flip ATOM 0 H GLN A 39 1.042 -12.433 5.591 1.00 0.00 H new ATOM 0 HA GLN A 39 2.146 -12.515 8.394 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.564 -11.981 7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.388 -12.104 8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.238 -10.227 8.792 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.178 -10.140 7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.676 -10.771 9.012 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.452 -9.230 8.633 1.00 0.00 H new ATOM 599 N ALA A 40 1.477 -14.768 8.999 1.00 0.00 N ATOM 600 CA ALA A 40 1.167 -16.187 9.332 1.00 0.00 C ATOM 601 C ALA A 40 0.640 -16.268 10.766 1.00 0.00 C ATOM 602 O ALA A 40 0.821 -15.355 11.549 1.00 0.00 O ATOM 603 CB ALA A 40 2.498 -16.928 9.202 1.00 0.00 C ATOM 0 H ALA A 40 2.088 -14.296 9.665 1.00 0.00 H new ATOM 0 HA ALA A 40 0.406 -16.617 8.680 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.351 -17.983 9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.872 -16.828 8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.221 -16.502 9.897 1.00 0.00 H new ATOM 609 N ASP A 41 -0.016 -17.345 11.112 1.00 0.00 N ATOM 610 CA ASP A 41 -0.559 -17.479 12.499 1.00 0.00 C ATOM 611 C ASP A 41 0.566 -17.405 13.535 1.00 0.00 C ATOM 612 O ASP A 41 0.425 -16.782 14.570 1.00 0.00 O ATOM 613 CB ASP A 41 -1.235 -18.844 12.541 1.00 0.00 C ATOM 614 CG ASP A 41 -2.526 -18.816 11.717 1.00 0.00 C ATOM 615 OD1 ASP A 41 -3.119 -17.753 11.611 1.00 0.00 O ATOM 616 OD2 ASP A 41 -2.905 -19.859 11.212 1.00 0.00 O ATOM 0 H ASP A 41 -0.200 -18.137 10.496 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.254 -16.674 12.736 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.560 -19.605 12.149 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.458 -19.117 13.572 1.00 0.00 H new ATOM 621 N SER A 42 1.681 -18.038 13.262 1.00 0.00 N ATOM 622 CA SER A 42 2.814 -18.011 14.240 1.00 0.00 C ATOM 623 C SER A 42 3.453 -16.618 14.296 1.00 0.00 C ATOM 624 O SER A 42 3.524 -16.007 15.347 1.00 0.00 O ATOM 625 CB SER A 42 3.823 -19.033 13.709 1.00 0.00 C ATOM 626 OG SER A 42 3.240 -20.329 13.745 1.00 0.00 O ATOM 0 H SER A 42 1.855 -18.570 12.409 1.00 0.00 H new ATOM 0 HA SER A 42 2.480 -18.245 15.251 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.112 -18.780 12.689 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.731 -19.013 14.312 1.00 0.00 H new ATOM 0 HG SER A 42 3.882 -20.986 13.404 1.00 0.00 H new ATOM 632 N GLN A 43 3.917 -16.112 13.179 1.00 0.00 N ATOM 633 CA GLN A 43 4.558 -14.759 13.170 1.00 0.00 C ATOM 634 C GLN A 43 4.443 -14.113 11.784 1.00 0.00 C ATOM 635 O GLN A 43 4.072 -14.753 10.818 1.00 0.00 O ATOM 636 CB GLN A 43 6.030 -15.007 13.511 1.00 0.00 C ATOM 637 CG GLN A 43 6.168 -15.384 14.988 1.00 0.00 C ATOM 638 CD GLN A 43 7.647 -15.369 15.381 1.00 0.00 C ATOM 639 OE1 GLN A 43 8.429 -14.628 14.819 1.00 0.00 O ATOM 640 NE2 GLN A 43 8.066 -16.162 16.329 1.00 0.00 N ATOM 0 H GLN A 43 3.880 -16.578 12.272 1.00 0.00 H new ATOM 0 HA GLN A 43 4.078 -14.083 13.878 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.428 -15.805 12.885 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.617 -14.113 13.299 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.609 -14.683 15.607 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.744 -16.373 15.163 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.410 -16.784 16.801 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.050 -16.160 16.598 1.00 0.00 H new ATOM 649 N VAL A 44 4.772 -12.849 11.686 1.00 0.00 N ATOM 650 CA VAL A 44 4.704 -12.146 10.368 1.00 0.00 C ATOM 651 C VAL A 44 6.110 -11.683 9.968 1.00 0.00 C ATOM 652 O VAL A 44 6.864 -11.193 10.787 1.00 0.00 O ATOM 653 CB VAL A 44 3.784 -10.943 10.601 1.00 0.00 C ATOM 654 CG1 VAL A 44 3.658 -10.129 9.310 1.00 0.00 C ATOM 655 CG2 VAL A 44 2.396 -11.430 11.030 1.00 0.00 C ATOM 0 H VAL A 44 5.086 -12.271 12.466 1.00 0.00 H new ATOM 0 HA VAL A 44 4.329 -12.785 9.568 1.00 0.00 H new ATOM 0 HB VAL A 44 4.209 -10.316 11.385 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.003 -9.275 9.481 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.643 -9.776 9.005 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.238 -10.756 8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.744 -10.572 11.195 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.974 -12.061 10.248 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.481 -12.004 11.953 1.00 0.00 H new ATOM 665 N THR A 45 6.469 -11.845 8.719 1.00 0.00 N ATOM 666 CA THR A 45 7.833 -11.424 8.267 1.00 0.00 C ATOM 667 C THR A 45 7.752 -10.608 6.972 1.00 0.00 C ATOM 668 O THR A 45 6.761 -10.638 6.267 1.00 0.00 O ATOM 669 CB THR A 45 8.592 -12.732 8.026 1.00 0.00 C ATOM 670 OG1 THR A 45 7.920 -13.490 7.030 1.00 0.00 O ATOM 671 CG2 THR A 45 8.662 -13.538 9.325 1.00 0.00 C ATOM 0 H THR A 45 5.878 -12.250 7.993 1.00 0.00 H new ATOM 0 HA THR A 45 8.326 -10.790 9.004 1.00 0.00 H new ATOM 0 HB THR A 45 9.604 -12.506 7.691 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.405 -14.327 6.873 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.203 -14.468 9.148 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.181 -12.956 10.087 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.652 -13.765 9.667 1.00 0.00 H new ATOM 679 N GLU A 46 8.799 -9.884 6.655 1.00 0.00 N ATOM 680 CA GLU A 46 8.805 -9.064 5.406 1.00 0.00 C ATOM 681 C GLU A 46 9.117 -9.951 4.202 1.00 0.00 C ATOM 682 O GLU A 46 9.681 -11.021 4.336 1.00 0.00 O ATOM 683 CB GLU A 46 9.912 -8.028 5.607 1.00 0.00 C ATOM 684 CG GLU A 46 9.829 -6.955 4.518 1.00 0.00 C ATOM 685 CD GLU A 46 11.119 -6.133 4.508 1.00 0.00 C ATOM 686 OE1 GLU A 46 11.691 -5.948 5.570 1.00 0.00 O ATOM 687 OE2 GLU A 46 11.513 -5.699 3.438 1.00 0.00 O ATOM 0 H GLU A 46 9.652 -9.827 7.211 1.00 0.00 H new ATOM 0 HA GLU A 46 7.840 -8.592 5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.817 -7.568 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.887 -8.515 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.676 -7.421 3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.973 -6.305 4.698 1.00 0.00 H new ATOM 694 N VAL A 47 8.740 -9.517 3.030 1.00 0.00 N ATOM 695 CA VAL A 47 8.995 -10.332 1.806 1.00 0.00 C ATOM 696 C VAL A 47 9.892 -9.556 0.821 1.00 0.00 C ATOM 697 O VAL A 47 11.090 -9.747 0.797 1.00 0.00 O ATOM 698 CB VAL A 47 7.598 -10.597 1.229 1.00 0.00 C ATOM 699 CG1 VAL A 47 7.701 -11.389 -0.064 1.00 0.00 C ATOM 700 CG2 VAL A 47 6.773 -11.398 2.240 1.00 0.00 C ATOM 0 H VAL A 47 8.264 -8.630 2.866 1.00 0.00 H new ATOM 0 HA VAL A 47 9.525 -11.262 2.013 1.00 0.00 H new ATOM 0 HB VAL A 47 7.116 -9.641 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.702 -11.569 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.284 -10.824 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.191 -12.343 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.780 -11.587 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.268 -12.347 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.682 -10.831 3.166 1.00 0.00 H new ATOM 710 N CYS A 48 9.333 -8.680 0.020 1.00 0.00 N ATOM 711 CA CYS A 48 10.171 -7.899 -0.950 1.00 0.00 C ATOM 712 C CYS A 48 10.035 -6.400 -0.670 1.00 0.00 C ATOM 713 O CYS A 48 9.042 -5.964 -0.115 1.00 0.00 O ATOM 714 CB CYS A 48 9.610 -8.256 -2.328 1.00 0.00 C ATOM 715 SG CYS A 48 10.027 -9.977 -2.717 1.00 0.00 S ATOM 0 H CYS A 48 8.335 -8.471 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 48 11.232 -8.135 -0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.529 -8.120 -2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.023 -7.590 -3.085 1.00 0.00 H new ATOM 720 N ALA A 49 11.027 -5.602 -1.023 1.00 0.00 N ATOM 721 CA ALA A 49 10.919 -4.137 -0.733 1.00 0.00 C ATOM 722 C ALA A 49 11.888 -3.299 -1.582 1.00 0.00 C ATOM 723 O ALA A 49 13.063 -3.592 -1.685 1.00 0.00 O ATOM 724 CB ALA A 49 11.269 -4.020 0.749 1.00 0.00 C ATOM 0 H ALA A 49 11.885 -5.898 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 49 9.926 -3.757 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.216 -2.975 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.563 -4.606 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.279 -4.396 0.915 1.00 0.00 H new ATOM 730 N ALA A 50 11.387 -2.240 -2.165 1.00 0.00 N ATOM 731 CA ALA A 50 12.237 -1.331 -2.995 1.00 0.00 C ATOM 732 C ALA A 50 11.412 -0.097 -3.375 1.00 0.00 C ATOM 733 O ALA A 50 10.195 -0.134 -3.335 1.00 0.00 O ATOM 734 CB ALA A 50 12.612 -2.135 -4.243 1.00 0.00 C ATOM 0 H ALA A 50 10.408 -1.962 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 50 13.129 -0.992 -2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.237 -1.524 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.161 -3.029 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.706 -2.424 -4.775 1.00 0.00 H new ATOM 740 N THR A 51 12.047 0.992 -3.741 1.00 0.00 N ATOM 741 CA THR A 51 11.263 2.211 -4.115 1.00 0.00 C ATOM 742 C THR A 51 11.032 2.236 -5.618 1.00 0.00 C ATOM 743 O THR A 51 11.948 2.447 -6.386 1.00 0.00 O ATOM 744 CB THR A 51 12.115 3.411 -3.695 1.00 0.00 C ATOM 745 OG1 THR A 51 12.731 3.140 -2.443 1.00 0.00 O ATOM 746 CG2 THR A 51 11.213 4.636 -3.554 1.00 0.00 C ATOM 0 H THR A 51 13.061 1.089 -3.796 1.00 0.00 H new ATOM 0 HA THR A 51 10.288 2.226 -3.628 1.00 0.00 H new ATOM 0 HB THR A 51 12.882 3.597 -4.446 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.474 3.763 -2.303 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.812 5.496 -3.255 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.730 4.844 -4.509 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.452 4.443 -2.798 1.00 0.00 H new ATOM 754 N TYR A 52 9.812 2.035 -6.044 1.00 0.00 N ATOM 755 CA TYR A 52 9.527 2.057 -7.502 1.00 0.00 C ATOM 756 C TYR A 52 9.597 3.491 -8.009 1.00 0.00 C ATOM 757 O TYR A 52 8.904 4.365 -7.512 1.00 0.00 O ATOM 758 CB TYR A 52 8.103 1.518 -7.642 1.00 0.00 C ATOM 759 CG TYR A 52 7.750 1.407 -9.103 1.00 0.00 C ATOM 760 CD1 TYR A 52 7.418 2.571 -9.848 1.00 0.00 C ATOM 761 CD2 TYR A 52 7.754 0.136 -9.733 1.00 0.00 C ATOM 762 CE1 TYR A 52 7.087 2.460 -11.226 1.00 0.00 C ATOM 763 CE2 TYR A 52 7.423 0.024 -11.111 1.00 0.00 C ATOM 764 CZ TYR A 52 7.090 1.187 -11.857 1.00 0.00 C ATOM 765 OH TYR A 52 6.768 1.079 -13.195 1.00 0.00 O ATOM 0 H TYR A 52 9.006 1.857 -5.445 1.00 0.00 H new ATOM 0 HA TYR A 52 10.241 1.466 -8.075 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.023 0.542 -7.162 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.400 2.180 -7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.417 3.538 -9.368 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.009 -0.747 -9.166 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.833 3.343 -11.793 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.425 -0.944 -11.590 1.00 0.00 H new ATOM 0 HH TYR A 52 6.819 0.140 -13.469 1.00 0.00 H new ATOM 775 N MET A 53 10.413 3.740 -8.999 1.00 0.00 N ATOM 776 CA MET A 53 10.503 5.116 -9.551 1.00 0.00 C ATOM 777 C MET A 53 9.408 5.267 -10.606 1.00 0.00 C ATOM 778 O MET A 53 9.095 4.323 -11.308 1.00 0.00 O ATOM 779 CB MET A 53 11.887 5.228 -10.198 1.00 0.00 C ATOM 780 CG MET A 53 12.982 4.947 -9.163 1.00 0.00 C ATOM 781 SD MET A 53 13.819 6.492 -8.732 1.00 0.00 S ATOM 782 CE MET A 53 12.507 7.174 -7.693 1.00 0.00 C ATOM 0 H MET A 53 11.018 3.050 -9.445 1.00 0.00 H new ATOM 0 HA MET A 53 10.374 5.888 -8.793 1.00 0.00 H new ATOM 0 HB2 MET A 53 11.968 4.522 -11.024 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.020 6.225 -10.617 1.00 0.00 H new ATOM 0 HG2 MET A 53 12.547 4.496 -8.271 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.700 4.232 -9.563 1.00 0.00 H new ATOM 0 HE1 MET A 53 12.784 8.177 -7.368 1.00 0.00 H new ATOM 0 HE2 MET A 53 11.579 7.220 -8.263 1.00 0.00 H new ATOM 0 HE3 MET A 53 12.366 6.536 -6.820 1.00 0.00 H new ATOM 792 N MET A 54 8.815 6.424 -10.724 1.00 0.00 N ATOM 793 CA MET A 54 7.732 6.603 -11.740 1.00 0.00 C ATOM 794 C MET A 54 8.265 6.327 -13.151 1.00 0.00 C ATOM 795 O MET A 54 7.527 5.928 -14.032 1.00 0.00 O ATOM 796 CB MET A 54 7.277 8.056 -11.605 1.00 0.00 C ATOM 797 CG MET A 54 6.538 8.237 -10.277 1.00 0.00 C ATOM 798 SD MET A 54 4.924 7.424 -10.368 1.00 0.00 S ATOM 799 CE MET A 54 5.395 5.889 -9.533 1.00 0.00 C ATOM 0 H MET A 54 9.030 7.250 -10.166 1.00 0.00 H new ATOM 0 HA MET A 54 6.907 5.909 -11.577 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.138 8.723 -11.649 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.624 8.323 -12.436 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.125 7.814 -9.462 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.411 9.298 -10.061 1.00 0.00 H new ATOM 0 HE1 MET A 54 5.235 5.046 -10.205 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.447 5.935 -9.253 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.787 5.760 -8.638 1.00 0.00 H new ATOM 809 N GLY A 55 9.538 6.545 -13.371 1.00 0.00 N ATOM 810 CA GLY A 55 10.117 6.305 -14.727 1.00 0.00 C ATOM 811 C GLY A 55 10.902 4.986 -14.756 1.00 0.00 C ATOM 812 O GLY A 55 11.110 4.413 -15.810 1.00 0.00 O ATOM 0 H GLY A 55 10.200 6.878 -12.670 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.319 6.275 -15.469 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.774 7.131 -14.999 1.00 0.00 H new ATOM 816 N ASN A 56 11.353 4.505 -13.620 1.00 0.00 N ATOM 817 CA ASN A 56 12.137 3.228 -13.607 1.00 0.00 C ATOM 818 C ASN A 56 11.590 2.244 -12.565 1.00 0.00 C ATOM 819 O ASN A 56 10.930 2.627 -11.618 1.00 0.00 O ATOM 820 CB ASN A 56 13.562 3.649 -13.246 1.00 0.00 C ATOM 821 CG ASN A 56 14.124 4.549 -14.348 1.00 0.00 C ATOM 822 OD1 ASN A 56 13.757 4.419 -15.499 1.00 0.00 O ATOM 823 ND2 ASN A 56 15.006 5.461 -14.044 1.00 0.00 N ATOM 0 H ASN A 56 11.213 4.938 -12.707 1.00 0.00 H new ATOM 0 HA ASN A 56 12.082 2.714 -14.566 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.566 4.178 -12.293 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.193 2.768 -13.124 1.00 0.00 H new ATOM 0 HD21 ASN A 56 15.387 6.065 -14.772 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.314 5.570 -13.078 1.00 0.00 H new ATOM 830 N GLU A 57 11.873 0.976 -12.739 1.00 0.00 N ATOM 831 CA GLU A 57 11.390 -0.056 -11.771 1.00 0.00 C ATOM 832 C GLU A 57 12.581 -0.682 -11.032 1.00 0.00 C ATOM 833 O GLU A 57 13.591 -1.002 -11.630 1.00 0.00 O ATOM 834 CB GLU A 57 10.676 -1.103 -12.628 1.00 0.00 C ATOM 835 CG GLU A 57 10.050 -2.165 -11.721 1.00 0.00 C ATOM 836 CD GLU A 57 9.252 -3.159 -12.568 1.00 0.00 C ATOM 837 OE1 GLU A 57 8.706 -2.746 -13.579 1.00 0.00 O ATOM 838 OE2 GLU A 57 9.199 -4.319 -12.191 1.00 0.00 O ATOM 0 H GLU A 57 12.422 0.610 -13.517 1.00 0.00 H new ATOM 0 HA GLU A 57 10.730 0.364 -11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.905 -0.628 -13.235 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.382 -1.568 -13.316 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.829 -2.688 -11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.398 -1.692 -10.987 1.00 0.00 H new ATOM 845 N LEU A 58 12.473 -0.844 -9.736 1.00 0.00 N ATOM 846 CA LEU A 58 13.601 -1.433 -8.949 1.00 0.00 C ATOM 847 C LEU A 58 13.413 -2.933 -8.726 1.00 0.00 C ATOM 848 O LEU A 58 12.352 -3.484 -8.946 1.00 0.00 O ATOM 849 CB LEU A 58 13.560 -0.719 -7.602 1.00 0.00 C ATOM 850 CG LEU A 58 14.218 0.652 -7.716 1.00 0.00 C ATOM 851 CD1 LEU A 58 13.339 1.579 -8.555 1.00 0.00 C ATOM 852 CD2 LEU A 58 14.396 1.235 -6.311 1.00 0.00 C ATOM 0 H LEU A 58 11.650 -0.593 -9.188 1.00 0.00 H new ATOM 0 HA LEU A 58 14.547 -1.308 -9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.527 -0.609 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 58 14.074 -1.316 -6.849 1.00 0.00 H new ATOM 0 HG LEU A 58 15.190 0.556 -8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.813 2.557 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.212 1.156 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.364 1.685 -8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.866 2.216 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.422 1.333 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.027 0.572 -5.719 1.00 0.00 H new ATOM 864 N THR A 59 14.452 -3.586 -8.277 1.00 0.00 N ATOM 865 CA THR A 59 14.396 -5.036 -8.010 1.00 0.00 C ATOM 866 C THR A 59 14.575 -5.288 -6.510 1.00 0.00 C ATOM 867 O THR A 59 15.084 -4.448 -5.791 1.00 0.00 O ATOM 868 CB THR A 59 15.578 -5.592 -8.792 1.00 0.00 C ATOM 869 OG1 THR A 59 16.779 -5.002 -8.314 1.00 0.00 O ATOM 870 CG2 THR A 59 15.412 -5.305 -10.287 1.00 0.00 C ATOM 0 H THR A 59 15.356 -3.155 -8.082 1.00 0.00 H new ATOM 0 HA THR A 59 13.451 -5.496 -8.299 1.00 0.00 H new ATOM 0 HB THR A 59 15.622 -6.672 -8.651 1.00 0.00 H new ATOM 0 HG1 THR A 59 17.541 -5.360 -8.815 1.00 0.00 H new ATOM 0 HG21 THR A 59 16.265 -5.709 -10.832 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.496 -5.773 -10.648 1.00 0.00 H new ATOM 0 HG23 THR A 59 15.356 -4.228 -10.447 1.00 0.00 H new ATOM 878 N PHE A 60 14.165 -6.434 -6.035 1.00 0.00 N ATOM 879 CA PHE A 60 14.312 -6.746 -4.577 1.00 0.00 C ATOM 880 C PHE A 60 15.595 -7.564 -4.374 1.00 0.00 C ATOM 881 O PHE A 60 15.811 -8.572 -5.019 1.00 0.00 O ATOM 882 CB PHE A 60 13.046 -7.532 -4.224 1.00 0.00 C ATOM 883 CG PHE A 60 11.838 -6.664 -4.533 1.00 0.00 C ATOM 884 CD1 PHE A 60 11.752 -5.344 -4.006 1.00 0.00 C ATOM 885 CD2 PHE A 60 10.809 -7.155 -5.376 1.00 0.00 C ATOM 886 CE1 PHE A 60 10.635 -4.522 -4.323 1.00 0.00 C ATOM 887 CE2 PHE A 60 9.689 -6.335 -5.688 1.00 0.00 C ATOM 888 CZ PHE A 60 9.603 -5.019 -5.162 1.00 0.00 C ATOM 0 H PHE A 60 13.733 -7.171 -6.592 1.00 0.00 H new ATOM 0 HA PHE A 60 14.405 -5.868 -3.938 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.003 -8.458 -4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.054 -7.809 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.535 -4.967 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.876 -8.154 -5.782 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.572 -3.520 -3.925 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.904 -6.714 -6.325 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.753 -4.396 -5.400 1.00 0.00 H new ATOM 898 N LEU A 61 16.472 -7.094 -3.524 1.00 0.00 N ATOM 899 CA LEU A 61 17.787 -7.788 -3.307 1.00 0.00 C ATOM 900 C LEU A 61 17.632 -9.233 -2.808 1.00 0.00 C ATOM 901 O LEU A 61 18.333 -10.117 -3.265 1.00 0.00 O ATOM 902 CB LEU A 61 18.515 -6.938 -2.260 1.00 0.00 C ATOM 903 CG LEU A 61 19.924 -7.492 -2.026 1.00 0.00 C ATOM 904 CD1 LEU A 61 20.747 -7.369 -3.311 1.00 0.00 C ATOM 905 CD2 LEU A 61 20.604 -6.698 -0.910 1.00 0.00 C ATOM 0 H LEU A 61 16.336 -6.252 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 61 18.332 -7.871 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 61 18.573 -5.903 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 61 17.955 -6.939 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 61 19.856 -8.541 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 61 21.749 -7.764 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 61 20.264 -7.935 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.815 -6.320 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 61 21.607 -7.091 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.669 -5.649 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.021 -6.787 0.007 1.00 0.00 H new ATOM 917 N ASP A 62 16.761 -9.482 -1.861 1.00 0.00 N ATOM 918 CA ASP A 62 16.623 -10.879 -1.335 1.00 0.00 C ATOM 919 C ASP A 62 15.173 -11.211 -0.987 1.00 0.00 C ATOM 920 O ASP A 62 14.253 -10.515 -1.370 1.00 0.00 O ATOM 921 CB ASP A 62 17.504 -10.911 -0.078 1.00 0.00 C ATOM 922 CG ASP A 62 16.995 -9.905 0.968 1.00 0.00 C ATOM 923 OD1 ASP A 62 16.057 -9.179 0.673 1.00 0.00 O ATOM 924 OD2 ASP A 62 17.559 -9.877 2.050 1.00 0.00 O ATOM 0 H ASP A 62 16.146 -8.790 -1.433 1.00 0.00 H new ATOM 0 HA ASP A 62 16.925 -11.619 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 62 17.505 -11.915 0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 62 18.535 -10.676 -0.344 1.00 0.00 H new ATOM 929 N ASP A 63 14.970 -12.294 -0.268 1.00 0.00 N ATOM 930 CA ASP A 63 13.586 -12.719 0.118 1.00 0.00 C ATOM 931 C ASP A 63 12.716 -12.876 -1.131 1.00 0.00 C ATOM 932 O ASP A 63 11.704 -12.222 -1.285 1.00 0.00 O ATOM 933 CB ASP A 63 13.049 -11.614 1.029 1.00 0.00 C ATOM 934 CG ASP A 63 13.886 -11.541 2.311 1.00 0.00 C ATOM 935 OD1 ASP A 63 14.436 -12.560 2.700 1.00 0.00 O ATOM 936 OD2 ASP A 63 13.964 -10.466 2.881 1.00 0.00 O ATOM 0 H ASP A 63 15.713 -12.906 0.070 1.00 0.00 H new ATOM 0 HA ASP A 63 13.582 -13.682 0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.079 -10.656 0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.006 -11.810 1.276 1.00 0.00 H new ATOM 941 N SER A 64 13.124 -13.743 -2.023 1.00 0.00 N ATOM 942 CA SER A 64 12.361 -13.981 -3.290 1.00 0.00 C ATOM 943 C SER A 64 12.203 -12.678 -4.076 1.00 0.00 C ATOM 944 O SER A 64 11.429 -11.811 -3.717 1.00 0.00 O ATOM 945 CB SER A 64 10.998 -14.536 -2.865 1.00 0.00 C ATOM 946 OG SER A 64 11.181 -15.793 -2.226 1.00 0.00 O ATOM 0 H SER A 64 13.969 -14.307 -1.926 1.00 0.00 H new ATOM 0 HA SER A 64 12.882 -14.679 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.504 -13.839 -2.188 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.351 -14.648 -3.735 1.00 0.00 H new ATOM 0 HG SER A 64 10.311 -16.150 -1.951 1.00 0.00 H new ATOM 952 N ILE A 67 12.943 -12.541 -5.146 1.00 0.00 N ATOM 953 CA ILE A 67 12.858 -11.298 -5.972 1.00 0.00 C ATOM 954 C ILE A 67 11.451 -11.147 -6.562 1.00 0.00 C ATOM 955 O ILE A 67 11.162 -11.650 -7.632 1.00 0.00 O ATOM 956 CB ILE A 67 13.903 -11.477 -7.072 1.00 0.00 C ATOM 957 CG1 ILE A 67 15.283 -11.536 -6.418 1.00 0.00 C ATOM 958 CG2 ILE A 67 13.849 -10.289 -8.045 1.00 0.00 C ATOM 959 CD1 ILE A 67 16.337 -11.814 -7.481 1.00 0.00 C ATOM 0 H ILE A 67 13.605 -13.239 -5.485 1.00 0.00 H new ATOM 0 HA ILE A 67 13.045 -10.398 -5.387 1.00 0.00 H new ATOM 0 HB ILE A 67 13.705 -12.394 -7.626 1.00 0.00 H new ATOM 0 HG12 ILE A 67 15.499 -10.594 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.304 -12.316 -5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.597 -10.424 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.859 -10.233 -8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.053 -9.365 -7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 67 17.321 -11.856 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 67 16.123 -12.767 -7.965 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.322 -11.018 -8.225 1.00 0.00 H new ATOM 971 N CYS A 68 10.583 -10.450 -5.875 1.00 0.00 N ATOM 972 CA CYS A 68 9.197 -10.250 -6.396 1.00 0.00 C ATOM 973 C CYS A 68 9.239 -9.319 -7.612 1.00 0.00 C ATOM 974 O CYS A 68 10.211 -8.624 -7.838 1.00 0.00 O ATOM 975 CB CYS A 68 8.420 -9.590 -5.252 1.00 0.00 C ATOM 976 SG CYS A 68 8.454 -10.657 -3.791 1.00 0.00 S ATOM 0 H CYS A 68 10.774 -10.010 -4.975 1.00 0.00 H new ATOM 0 HA CYS A 68 8.733 -11.186 -6.708 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.857 -8.620 -5.015 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.389 -9.409 -5.557 1.00 0.00 H new ATOM 981 N THR A 69 8.191 -9.296 -8.389 1.00 0.00 N ATOM 982 CA THR A 69 8.157 -8.406 -9.586 1.00 0.00 C ATOM 983 C THR A 69 6.777 -7.758 -9.692 1.00 0.00 C ATOM 984 O THR A 69 5.795 -8.329 -9.263 1.00 0.00 O ATOM 985 CB THR A 69 8.440 -9.326 -10.782 1.00 0.00 C ATOM 986 OG1 THR A 69 8.486 -8.551 -11.972 1.00 0.00 O ATOM 987 CG2 THR A 69 7.347 -10.395 -10.906 1.00 0.00 C ATOM 0 H THR A 69 7.352 -9.858 -8.246 1.00 0.00 H new ATOM 0 HA THR A 69 8.886 -7.597 -9.538 1.00 0.00 H new ATOM 0 HB THR A 69 9.398 -9.822 -10.628 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.668 -9.136 -12.737 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.563 -11.039 -11.759 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.320 -10.995 -9.996 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.381 -9.912 -11.051 1.00 0.00 H new ATOM 995 N GLY A 70 6.688 -6.574 -10.243 1.00 0.00 N ATOM 996 CA GLY A 70 5.355 -5.915 -10.352 1.00 0.00 C ATOM 997 C GLY A 70 5.463 -4.590 -11.103 1.00 0.00 C ATOM 998 O GLY A 70 6.505 -4.220 -11.608 1.00 0.00 O ATOM 0 H GLY A 70 7.473 -6.041 -10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.659 -6.576 -10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.948 -5.741 -9.356 1.00 0.00 H new ATOM 1002 N THR A 71 4.373 -3.879 -11.167 1.00 0.00 N ATOM 1003 CA THR A 71 4.342 -2.570 -11.868 1.00 0.00 C ATOM 1004 C THR A 71 3.709 -1.517 -10.955 1.00 0.00 C ATOM 1005 O THR A 71 3.100 -1.836 -9.954 1.00 0.00 O ATOM 1006 CB THR A 71 3.470 -2.809 -13.092 1.00 0.00 C ATOM 1007 OG1 THR A 71 4.064 -3.803 -13.915 1.00 0.00 O ATOM 1008 CG2 THR A 71 3.299 -1.516 -13.886 1.00 0.00 C ATOM 0 H THR A 71 3.484 -4.158 -10.753 1.00 0.00 H new ATOM 0 HA THR A 71 5.334 -2.210 -12.139 1.00 0.00 H new ATOM 0 HB THR A 71 2.488 -3.149 -12.763 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.500 -3.956 -14.702 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.673 -1.705 -14.758 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.827 -0.762 -13.256 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.275 -1.157 -14.211 1.00 0.00 H new ATOM 1016 N SER A 72 3.850 -0.271 -11.303 1.00 0.00 N ATOM 1017 CA SER A 72 3.255 0.821 -10.476 1.00 0.00 C ATOM 1018 C SER A 72 2.960 2.034 -11.364 1.00 0.00 C ATOM 1019 O SER A 72 3.846 2.562 -12.009 1.00 0.00 O ATOM 1020 CB SER A 72 4.324 1.158 -9.439 1.00 0.00 C ATOM 1021 OG SER A 72 4.480 0.058 -8.552 1.00 0.00 O ATOM 0 H SER A 72 4.355 0.044 -12.131 1.00 0.00 H new ATOM 0 HA SER A 72 2.316 0.529 -10.005 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.270 1.379 -9.933 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.039 2.051 -8.883 1.00 0.00 H new ATOM 0 HG SER A 72 5.408 -0.256 -8.580 1.00 0.00 H new ATOM 1027 N SER A 73 1.728 2.483 -11.404 1.00 0.00 N ATOM 1028 CA SER A 73 1.392 3.664 -12.254 1.00 0.00 C ATOM 1029 C SER A 73 0.247 4.457 -11.626 1.00 0.00 C ATOM 1030 O SER A 73 -0.621 3.902 -10.980 1.00 0.00 O ATOM 1031 CB SER A 73 0.961 3.076 -13.597 1.00 0.00 C ATOM 1032 OG SER A 73 -0.174 2.242 -13.401 1.00 0.00 O ATOM 0 H SER A 73 0.945 2.083 -10.886 1.00 0.00 H new ATOM 0 HA SER A 73 2.233 4.349 -12.360 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.722 3.876 -14.298 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.778 2.502 -14.035 1.00 0.00 H new ATOM 0 HG SER A 73 -0.455 1.864 -14.261 1.00 0.00 H new ATOM 1038 N GLY A 74 0.235 5.756 -11.815 1.00 0.00 N ATOM 1039 CA GLY A 74 -0.856 6.601 -11.234 1.00 0.00 C ATOM 1040 C GLY A 74 -0.998 6.316 -9.736 1.00 0.00 C ATOM 1041 O GLY A 74 -0.043 6.393 -8.986 1.00 0.00 O ATOM 0 H GLY A 74 0.937 6.268 -12.349 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.633 7.656 -11.392 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.798 6.394 -11.743 1.00 0.00 H new ATOM 1045 N ASN A 75 -2.184 5.975 -9.304 1.00 0.00 N ATOM 1046 CA ASN A 75 -2.402 5.668 -7.861 1.00 0.00 C ATOM 1047 C ASN A 75 -2.623 4.161 -7.662 1.00 0.00 C ATOM 1048 O ASN A 75 -3.153 3.741 -6.651 1.00 0.00 O ATOM 1049 CB ASN A 75 -3.660 6.448 -7.479 1.00 0.00 C ATOM 1050 CG ASN A 75 -3.389 7.948 -7.609 1.00 0.00 C ATOM 1051 OD1 ASN A 75 -2.465 8.466 -7.015 1.00 0.00 O ATOM 1052 ND2 ASN A 75 -4.162 8.674 -8.372 1.00 0.00 N ATOM 0 H ASN A 75 -3.014 5.896 -9.892 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.545 5.945 -7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.489 6.160 -8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.954 6.208 -6.457 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.989 9.675 -8.468 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.938 8.240 -8.871 1.00 0.00 H new ATOM 1059 N GLN A 76 -2.227 3.344 -8.615 1.00 0.00 N ATOM 1060 CA GLN A 76 -2.427 1.870 -8.468 1.00 0.00 C ATOM 1061 C GLN A 76 -1.101 1.124 -8.608 1.00 0.00 C ATOM 1062 O GLN A 76 -0.425 1.236 -9.614 1.00 0.00 O ATOM 1063 CB GLN A 76 -3.377 1.485 -9.602 1.00 0.00 C ATOM 1064 CG GLN A 76 -4.769 2.051 -9.315 1.00 0.00 C ATOM 1065 CD GLN A 76 -5.751 1.578 -10.390 1.00 0.00 C ATOM 1066 OE1 GLN A 76 -6.882 1.251 -10.092 1.00 0.00 O ATOM 1067 NE2 GLN A 76 -5.366 1.528 -11.636 1.00 0.00 N ATOM 0 H GLN A 76 -1.777 3.636 -9.482 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.827 1.611 -7.488 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.004 1.872 -10.550 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.426 0.400 -9.697 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.108 1.727 -8.331 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.732 3.140 -9.296 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.416 1.802 -11.888 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.015 1.215 -12.358 1.00 0.00 H new ATOM 1076 N VAL A 77 -0.726 0.357 -7.611 1.00 0.00 N ATOM 1077 CA VAL A 77 0.549 -0.398 -7.694 1.00 0.00 C ATOM 1078 C VAL A 77 0.248 -1.885 -7.944 1.00 0.00 C ATOM 1079 O VAL A 77 -0.481 -2.511 -7.202 1.00 0.00 O ATOM 1080 CB VAL A 77 1.260 -0.173 -6.342 1.00 0.00 C ATOM 1081 CG1 VAL A 77 1.295 1.324 -5.990 1.00 0.00 C ATOM 1082 CG2 VAL A 77 0.572 -0.950 -5.206 1.00 0.00 C ATOM 0 H VAL A 77 -1.253 0.226 -6.747 1.00 0.00 H new ATOM 0 HA VAL A 77 1.184 -0.064 -8.515 1.00 0.00 H new ATOM 0 HB VAL A 77 2.279 -0.545 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.800 1.461 -5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.833 1.868 -6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.276 1.705 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.099 -0.768 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.462 -0.617 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.590 -2.016 -5.431 1.00 0.00 H new ATOM 1092 N ASN A 78 0.788 -2.445 -8.991 1.00 0.00 N ATOM 1093 CA ASN A 78 0.518 -3.880 -9.301 1.00 0.00 C ATOM 1094 C ASN A 78 1.673 -4.777 -8.832 1.00 0.00 C ATOM 1095 O ASN A 78 2.764 -4.713 -9.355 1.00 0.00 O ATOM 1096 CB ASN A 78 0.388 -3.924 -10.825 1.00 0.00 C ATOM 1097 CG ASN A 78 -0.136 -5.296 -11.250 1.00 0.00 C ATOM 1098 OD1 ASN A 78 0.089 -6.288 -10.586 1.00 0.00 O ATOM 1099 ND2 ASN A 78 -0.834 -5.363 -12.354 1.00 0.00 N ATOM 0 H ASN A 78 1.407 -1.970 -9.648 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.374 -4.247 -8.793 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.290 -3.142 -11.166 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.355 -3.732 -11.289 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.201 -6.260 -12.672 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.012 -4.518 -12.897 1.00 0.00 H new ATOM 1105 N LEU A 79 1.430 -5.629 -7.864 1.00 0.00 N ATOM 1106 CA LEU A 79 2.510 -6.548 -7.382 1.00 0.00 C ATOM 1107 C LEU A 79 2.299 -7.950 -7.969 1.00 0.00 C ATOM 1108 O LEU A 79 1.220 -8.505 -7.889 1.00 0.00 O ATOM 1109 CB LEU A 79 2.376 -6.587 -5.853 1.00 0.00 C ATOM 1110 CG LEU A 79 2.797 -5.243 -5.245 1.00 0.00 C ATOM 1111 CD1 LEU A 79 2.563 -5.271 -3.736 1.00 0.00 C ATOM 1112 CD2 LEU A 79 4.282 -4.996 -5.528 1.00 0.00 C ATOM 0 H LEU A 79 0.533 -5.728 -7.388 1.00 0.00 H new ATOM 0 HA LEU A 79 3.500 -6.208 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.345 -6.811 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.996 -7.387 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 79 2.205 -4.442 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.862 -4.316 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.506 -5.445 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.154 -6.072 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.581 -4.041 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.875 -5.796 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.449 -4.975 -6.605 1.00 0.00 H new ATOM 1124 N THR A 80 3.322 -8.525 -8.555 1.00 0.00 N ATOM 1125 CA THR A 80 3.188 -9.893 -9.145 1.00 0.00 C ATOM 1126 C THR A 80 4.162 -10.857 -8.463 1.00 0.00 C ATOM 1127 O THR A 80 5.328 -10.557 -8.290 1.00 0.00 O ATOM 1128 CB THR A 80 3.538 -9.733 -10.627 1.00 0.00 C ATOM 1129 OG1 THR A 80 2.694 -8.750 -11.208 1.00 0.00 O ATOM 1130 CG2 THR A 80 3.341 -11.069 -11.344 1.00 0.00 C ATOM 0 H THR A 80 4.246 -8.104 -8.650 1.00 0.00 H new ATOM 0 HA THR A 80 2.186 -10.301 -9.011 1.00 0.00 H new ATOM 0 HB THR A 80 4.578 -9.421 -10.725 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.757 -8.993 -11.057 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.590 -10.956 -12.399 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.991 -11.821 -10.897 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.302 -11.384 -11.248 1.00 0.00 H new ATOM 1138 N ILE A 81 3.689 -12.010 -8.073 1.00 0.00 N ATOM 1139 CA ILE A 81 4.576 -13.002 -7.395 1.00 0.00 C ATOM 1140 C ILE A 81 4.829 -14.202 -8.306 1.00 0.00 C ATOM 1141 O ILE A 81 3.904 -14.801 -8.817 1.00 0.00 O ATOM 1142 CB ILE A 81 3.781 -13.442 -6.160 1.00 0.00 C ATOM 1143 CG1 ILE A 81 3.600 -12.249 -5.220 1.00 0.00 C ATOM 1144 CG2 ILE A 81 4.514 -14.573 -5.428 1.00 0.00 C ATOM 1145 CD1 ILE A 81 2.567 -12.600 -4.149 1.00 0.00 C ATOM 0 H ILE A 81 2.722 -12.310 -8.195 1.00 0.00 H new ATOM 0 HA ILE A 81 5.550 -12.582 -7.143 1.00 0.00 H new ATOM 0 HB ILE A 81 2.805 -13.808 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.551 -11.992 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.274 -11.374 -5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.937 -14.874 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.629 -15.425 -6.098 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.497 -14.224 -5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.436 -11.751 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.615 -12.836 -4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.912 -13.463 -3.580 1.00 0.00 H new ATOM 1157 N GLN A 82 6.070 -14.578 -8.479 1.00 0.00 N ATOM 1158 CA GLN A 82 6.369 -15.768 -9.323 1.00 0.00 C ATOM 1159 C GLN A 82 7.138 -16.801 -8.506 1.00 0.00 C ATOM 1160 O GLN A 82 8.200 -16.533 -7.975 1.00 0.00 O ATOM 1161 CB GLN A 82 7.221 -15.268 -10.480 1.00 0.00 C ATOM 1162 CG GLN A 82 6.440 -14.224 -11.278 1.00 0.00 C ATOM 1163 CD GLN A 82 7.257 -13.796 -12.499 1.00 0.00 C ATOM 1164 OE1 GLN A 82 8.085 -14.542 -12.983 1.00 0.00 O ATOM 1165 NE2 GLN A 82 7.059 -12.616 -13.020 1.00 0.00 N ATOM 0 H GLN A 82 6.883 -14.114 -8.074 1.00 0.00 H new ATOM 0 HA GLN A 82 5.457 -16.244 -9.684 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.147 -14.834 -10.102 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.500 -16.101 -11.126 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.482 -14.636 -11.595 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.224 -13.359 -10.651 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.364 -11.989 -12.614 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.599 -12.320 -13.833 1.00 0.00 H new ATOM 1174 N GLY A 83 6.597 -17.975 -8.405 1.00 0.00 N ATOM 1175 CA GLY A 83 7.261 -19.060 -7.624 1.00 0.00 C ATOM 1176 C GLY A 83 6.438 -19.332 -6.369 1.00 0.00 C ATOM 1177 O GLY A 83 6.963 -19.432 -5.276 1.00 0.00 O ATOM 0 H GLY A 83 5.710 -18.239 -8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.341 -19.965 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.275 -18.765 -7.354 1.00 0.00 H new ATOM 1181 N LEU A 84 5.146 -19.433 -6.525 1.00 0.00 N ATOM 1182 CA LEU A 84 4.257 -19.680 -5.354 1.00 0.00 C ATOM 1183 C LEU A 84 4.248 -21.153 -4.948 1.00 0.00 C ATOM 1184 O LEU A 84 4.099 -22.041 -5.764 1.00 0.00 O ATOM 1185 CB LEU A 84 2.868 -19.249 -5.817 1.00 0.00 C ATOM 1186 CG LEU A 84 2.824 -17.727 -5.919 1.00 0.00 C ATOM 1187 CD1 LEU A 84 1.558 -17.303 -6.658 1.00 0.00 C ATOM 1188 CD2 LEU A 84 2.813 -17.133 -4.509 1.00 0.00 C ATOM 0 H LEU A 84 4.665 -19.354 -7.421 1.00 0.00 H new ATOM 0 HA LEU A 84 4.598 -19.130 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.638 -19.697 -6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.112 -19.601 -5.115 1.00 0.00 H new ATOM 0 HG LEU A 84 3.697 -17.369 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.526 -16.216 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.559 -17.734 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.683 -17.656 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.782 -16.045 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.935 -17.490 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.714 -17.439 -3.978 1.00 0.00 H new ATOM 1200 N ARG A 85 4.380 -21.398 -3.676 1.00 0.00 N ATOM 1201 CA ARG A 85 4.356 -22.789 -3.150 1.00 0.00 C ATOM 1202 C ARG A 85 3.197 -22.913 -2.161 1.00 0.00 C ATOM 1203 O ARG A 85 2.621 -21.920 -1.754 1.00 0.00 O ATOM 1204 CB ARG A 85 5.692 -22.972 -2.428 1.00 0.00 C ATOM 1205 CG ARG A 85 6.837 -22.851 -3.435 1.00 0.00 C ATOM 1206 CD ARG A 85 8.118 -23.418 -2.817 1.00 0.00 C ATOM 1207 NE ARG A 85 9.193 -23.166 -3.829 1.00 0.00 N ATOM 1208 CZ ARG A 85 10.448 -23.496 -3.593 1.00 0.00 C ATOM 1209 NH1 ARG A 85 10.811 -24.061 -2.464 1.00 0.00 N ATOM 1210 NH2 ARG A 85 11.352 -23.255 -4.504 1.00 0.00 N ATOM 0 H ARG A 85 4.506 -20.678 -2.965 1.00 0.00 H new ATOM 0 HA ARG A 85 4.222 -23.538 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.801 -22.221 -1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.724 -23.946 -1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.591 -23.391 -4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.984 -21.807 -3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.347 -22.929 -1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.016 -24.483 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 85 8.950 -22.730 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.115 -24.255 -1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.789 -24.306 -2.308 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.084 -22.817 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.326 -23.505 -4.334 1.00 0.00 H new ATOM 1224 N ALA A 86 2.844 -24.110 -1.771 1.00 0.00 N ATOM 1225 CA ALA A 86 1.715 -24.277 -0.801 1.00 0.00 C ATOM 1226 C ALA A 86 2.039 -23.545 0.505 1.00 0.00 C ATOM 1227 O ALA A 86 1.185 -22.928 1.114 1.00 0.00 O ATOM 1228 CB ALA A 86 1.610 -25.784 -0.559 1.00 0.00 C ATOM 0 H ALA A 86 3.285 -24.977 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 86 0.780 -23.864 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.801 -25.984 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.405 -26.291 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.549 -26.153 -0.146 1.00 0.00 H new ATOM 1234 N MET A 87 3.272 -23.613 0.931 1.00 0.00 N ATOM 1235 CA MET A 87 3.682 -22.932 2.196 1.00 0.00 C ATOM 1236 C MET A 87 3.632 -21.406 2.043 1.00 0.00 C ATOM 1237 O MET A 87 3.255 -20.696 2.956 1.00 0.00 O ATOM 1238 CB MET A 87 5.121 -23.392 2.443 1.00 0.00 C ATOM 1239 CG MET A 87 5.610 -22.843 3.784 1.00 0.00 C ATOM 1240 SD MET A 87 7.348 -23.289 4.021 1.00 0.00 S ATOM 1241 CE MET A 87 7.460 -22.841 5.771 1.00 0.00 C ATOM 0 H MET A 87 4.020 -24.115 0.453 1.00 0.00 H new ATOM 0 HA MET A 87 3.016 -23.183 3.022 1.00 0.00 H new ATOM 0 HB2 MET A 87 5.171 -24.481 2.444 1.00 0.00 H new ATOM 0 HB3 MET A 87 5.768 -23.044 1.638 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.495 -21.759 3.809 1.00 0.00 H new ATOM 0 HG3 MET A 87 5.006 -23.247 4.596 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.469 -23.038 6.133 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.232 -21.782 5.891 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.747 -23.433 6.344 1.00 0.00 H new ATOM 1251 N ASP A 88 4.033 -20.902 0.906 1.00 0.00 N ATOM 1252 CA ASP A 88 4.038 -19.418 0.690 1.00 0.00 C ATOM 1253 C ASP A 88 2.616 -18.851 0.684 1.00 0.00 C ATOM 1254 O ASP A 88 2.416 -17.675 0.924 1.00 0.00 O ATOM 1255 CB ASP A 88 4.688 -19.209 -0.675 1.00 0.00 C ATOM 1256 CG ASP A 88 6.142 -19.686 -0.639 1.00 0.00 C ATOM 1257 OD1 ASP A 88 6.750 -19.601 0.417 1.00 0.00 O ATOM 1258 OD2 ASP A 88 6.624 -20.127 -1.669 1.00 0.00 O ATOM 0 H ASP A 88 4.359 -21.453 0.112 1.00 0.00 H new ATOM 0 HA ASP A 88 4.575 -18.907 1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.135 -19.757 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.649 -18.155 -0.948 1.00 0.00 H new ATOM 1263 N THR A 89 1.626 -19.669 0.405 1.00 0.00 N ATOM 1264 CA THR A 89 0.218 -19.177 0.375 1.00 0.00 C ATOM 1265 C THR A 89 -0.108 -18.425 1.662 1.00 0.00 C ATOM 1266 O THR A 89 0.249 -18.849 2.747 1.00 0.00 O ATOM 1267 CB THR A 89 -0.641 -20.418 0.255 1.00 0.00 C ATOM 1268 OG1 THR A 89 -0.172 -21.221 -0.820 1.00 0.00 O ATOM 1269 CG2 THR A 89 -2.092 -20.017 0.004 1.00 0.00 C ATOM 0 H THR A 89 1.738 -20.661 0.196 1.00 0.00 H new ATOM 0 HA THR A 89 0.047 -18.486 -0.450 1.00 0.00 H new ATOM 0 HB THR A 89 -0.582 -20.988 1.182 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.386 -21.946 -0.468 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.707 -20.913 -0.082 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.450 -19.409 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.156 -19.443 -0.920 1.00 0.00 H new ATOM 1277 N GLY A 90 -0.768 -17.311 1.544 1.00 0.00 N ATOM 1278 CA GLY A 90 -1.104 -16.514 2.763 1.00 0.00 C ATOM 1279 C GLY A 90 -1.427 -15.067 2.387 1.00 0.00 C ATOM 1280 O GLY A 90 -1.683 -14.752 1.241 1.00 0.00 O ATOM 0 H GLY A 90 -1.091 -16.914 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.957 -16.962 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.267 -16.536 3.461 1.00 0.00 H new ATOM 1284 N LEU A 91 -1.438 -14.191 3.361 1.00 0.00 N ATOM 1285 CA LEU A 91 -1.777 -12.760 3.101 1.00 0.00 C ATOM 1286 C LEU A 91 -0.571 -11.941 2.625 1.00 0.00 C ATOM 1287 O LEU A 91 0.482 -11.944 3.233 1.00 0.00 O ATOM 1288 CB LEU A 91 -2.260 -12.226 4.451 1.00 0.00 C ATOM 1289 CG LEU A 91 -2.736 -10.782 4.291 1.00 0.00 C ATOM 1290 CD1 LEU A 91 -4.067 -10.771 3.540 1.00 0.00 C ATOM 1291 CD2 LEU A 91 -2.918 -10.152 5.666 1.00 0.00 C ATOM 0 H LEU A 91 -1.224 -14.410 4.334 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.520 -12.680 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.072 -12.847 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.453 -12.275 5.182 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.996 -10.212 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.411 -9.743 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.934 -11.223 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.807 -11.339 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.257 -9.122 5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.659 -10.718 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.968 -10.164 6.200 1.00 0.00 H new ATOM 1303 N TYR A 92 -0.761 -11.192 1.567 1.00 0.00 N ATOM 1304 CA TYR A 92 0.315 -10.301 1.051 1.00 0.00 C ATOM 1305 C TYR A 92 -0.137 -8.849 1.238 1.00 0.00 C ATOM 1306 O TYR A 92 -1.237 -8.485 0.873 1.00 0.00 O ATOM 1307 CB TYR A 92 0.491 -10.665 -0.423 1.00 0.00 C ATOM 1308 CG TYR A 92 1.204 -11.993 -0.507 1.00 0.00 C ATOM 1309 CD1 TYR A 92 2.625 -12.026 -0.548 1.00 0.00 C ATOM 1310 CD2 TYR A 92 0.466 -13.207 -0.527 1.00 0.00 C ATOM 1311 CE1 TYR A 92 3.308 -13.270 -0.613 1.00 0.00 C ATOM 1312 CE2 TYR A 92 1.149 -14.452 -0.589 1.00 0.00 C ATOM 1313 CZ TYR A 92 2.570 -14.484 -0.632 1.00 0.00 C ATOM 1314 OH TYR A 92 3.232 -15.693 -0.692 1.00 0.00 O ATOM 0 H TYR A 92 -1.630 -11.162 1.034 1.00 0.00 H new ATOM 0 HA TYR A 92 1.265 -10.418 1.573 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.479 -10.724 -0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.064 -9.894 -0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 92 3.186 -11.103 -0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -0.613 -13.184 -0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 92 4.387 -13.293 -0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.588 -15.375 -0.603 1.00 0.00 H new ATOM 0 HH TYR A 92 2.721 -16.370 -0.201 1.00 0.00 H new ATOM 1324 N ILE A 93 0.679 -8.042 1.867 1.00 0.00 N ATOM 1325 CA ILE A 93 0.276 -6.630 2.159 1.00 0.00 C ATOM 1326 C ILE A 93 1.054 -5.610 1.332 1.00 0.00 C ATOM 1327 O ILE A 93 2.261 -5.599 1.355 1.00 0.00 O ATOM 1328 CB ILE A 93 0.651 -6.440 3.637 1.00 0.00 C ATOM 1329 CG1 ILE A 93 -0.177 -7.370 4.508 1.00 0.00 C ATOM 1330 CG2 ILE A 93 0.377 -4.993 4.082 1.00 0.00 C ATOM 1331 CD1 ILE A 93 0.431 -8.777 4.545 1.00 0.00 C ATOM 0 H ILE A 93 1.611 -8.300 2.193 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.778 -6.474 1.927 1.00 0.00 H new ATOM 0 HB ILE A 93 1.712 -6.665 3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.236 -6.969 5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.196 -7.421 4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.649 -4.877 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.970 -4.308 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.682 -4.767 3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.182 -9.422 5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.466 -9.185 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.441 -8.726 4.951 1.00 0.00 H new ATOM 1343 N CYS A 94 0.376 -4.687 0.695 1.00 0.00 N ATOM 1344 CA CYS A 94 1.115 -3.621 -0.034 1.00 0.00 C ATOM 1345 C CYS A 94 1.550 -2.588 1.012 1.00 0.00 C ATOM 1346 O CYS A 94 0.897 -2.405 2.021 1.00 0.00 O ATOM 1347 CB CYS A 94 0.137 -3.022 -1.054 1.00 0.00 C ATOM 1348 SG CYS A 94 -1.548 -3.075 -0.406 1.00 0.00 S ATOM 0 H CYS A 94 -0.641 -4.628 0.650 1.00 0.00 H new ATOM 0 HA CYS A 94 1.998 -3.982 -0.561 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.417 -1.992 -1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.192 -3.576 -1.991 1.00 0.00 H new ATOM 1353 N LYS A 95 2.661 -1.946 0.797 1.00 0.00 N ATOM 1354 CA LYS A 95 3.181 -0.953 1.781 1.00 0.00 C ATOM 1355 C LYS A 95 3.802 0.187 0.999 1.00 0.00 C ATOM 1356 O LYS A 95 4.995 0.219 0.770 1.00 0.00 O ATOM 1357 CB LYS A 95 4.241 -1.720 2.554 1.00 0.00 C ATOM 1358 CG LYS A 95 4.949 -0.797 3.555 1.00 0.00 C ATOM 1359 CD LYS A 95 4.819 -1.388 4.951 1.00 0.00 C ATOM 1360 CE LYS A 95 5.617 -0.543 5.948 1.00 0.00 C ATOM 1361 NZ LYS A 95 5.282 -1.112 7.283 1.00 0.00 N ATOM 0 H LYS A 95 3.242 -2.068 -0.032 1.00 0.00 H new ATOM 0 HA LYS A 95 2.425 -0.536 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.781 -2.555 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.969 -2.143 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.000 -0.688 3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.508 0.199 3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.770 -1.421 5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.184 -2.415 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.687 -0.603 5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.340 0.509 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.791 -0.586 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.258 -1.035 7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.563 -2.113 7.314 1.00 0.00 H new ATOM 1375 N VAL A 96 2.993 1.095 0.565 1.00 0.00 N ATOM 1376 CA VAL A 96 3.503 2.227 -0.258 1.00 0.00 C ATOM 1377 C VAL A 96 3.820 3.443 0.615 1.00 0.00 C ATOM 1378 O VAL A 96 2.956 4.034 1.247 1.00 0.00 O ATOM 1379 CB VAL A 96 2.391 2.488 -1.292 1.00 0.00 C ATOM 1380 CG1 VAL A 96 1.033 2.649 -0.603 1.00 0.00 C ATOM 1381 CG2 VAL A 96 2.720 3.738 -2.124 1.00 0.00 C ATOM 0 H VAL A 96 1.989 1.109 0.743 1.00 0.00 H new ATOM 0 HA VAL A 96 4.446 2.002 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 96 2.335 1.627 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.264 2.832 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.794 1.739 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.073 3.491 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.926 3.911 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.803 4.602 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.664 3.589 -2.647 1.00 0.00 H new ATOM 1391 N GLU A 97 5.080 3.796 0.661 1.00 0.00 N ATOM 1392 CA GLU A 97 5.511 4.948 1.497 1.00 0.00 C ATOM 1393 C GLU A 97 6.418 5.899 0.722 1.00 0.00 C ATOM 1394 O GLU A 97 7.407 5.485 0.143 1.00 0.00 O ATOM 1395 CB GLU A 97 6.326 4.322 2.631 1.00 0.00 C ATOM 1396 CG GLU A 97 5.448 3.346 3.424 1.00 0.00 C ATOM 1397 CD GLU A 97 6.146 2.971 4.734 1.00 0.00 C ATOM 1398 OE1 GLU A 97 7.362 2.867 4.724 1.00 0.00 O ATOM 1399 OE2 GLU A 97 5.453 2.789 5.721 1.00 0.00 O ATOM 0 H GLU A 97 5.830 3.330 0.151 1.00 0.00 H new ATOM 0 HA GLU A 97 4.650 5.524 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.191 3.799 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.707 5.102 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.480 3.801 3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.258 2.450 2.833 1.00 0.00 H new ATOM 1406 N LEU A 98 6.137 7.176 0.764 1.00 0.00 N ATOM 1407 CA LEU A 98 7.042 8.148 0.095 1.00 0.00 C ATOM 1408 C LEU A 98 8.182 8.351 1.090 1.00 0.00 C ATOM 1409 O LEU A 98 8.225 9.315 1.831 1.00 0.00 O ATOM 1410 CB LEU A 98 6.228 9.435 -0.085 1.00 0.00 C ATOM 1411 CG LEU A 98 4.884 9.128 -0.759 1.00 0.00 C ATOM 1412 CD1 LEU A 98 4.096 10.427 -0.905 1.00 0.00 C ATOM 1413 CD2 LEU A 98 5.107 8.482 -2.134 1.00 0.00 C ATOM 0 H LEU A 98 5.326 7.582 1.230 1.00 0.00 H new ATOM 0 HA LEU A 98 7.429 7.834 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.057 9.903 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.791 10.147 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 98 4.322 8.426 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.139 10.220 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.923 10.861 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.663 11.129 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.143 8.271 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.674 9.163 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.663 7.552 -2.013 1.00 0.00 H new ATOM 1425 N MET A 99 9.049 7.382 1.163 1.00 0.00 N ATOM 1426 CA MET A 99 10.137 7.428 2.176 1.00 0.00 C ATOM 1427 C MET A 99 11.302 8.321 1.743 1.00 0.00 C ATOM 1428 O MET A 99 11.945 8.949 2.567 1.00 0.00 O ATOM 1429 CB MET A 99 10.602 5.976 2.314 1.00 0.00 C ATOM 1430 CG MET A 99 11.449 5.835 3.581 1.00 0.00 C ATOM 1431 SD MET A 99 10.908 4.374 4.501 1.00 0.00 S ATOM 1432 CE MET A 99 9.223 4.937 4.861 1.00 0.00 C ATOM 0 H MET A 99 9.051 6.557 0.563 1.00 0.00 H new ATOM 0 HA MET A 99 9.779 7.853 3.114 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.741 5.309 2.362 1.00 0.00 H new ATOM 0 HB3 MET A 99 11.183 5.683 1.440 1.00 0.00 H new ATOM 0 HG2 MET A 99 12.503 5.745 3.319 1.00 0.00 H new ATOM 0 HG3 MET A 99 11.349 6.727 4.200 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.842 4.409 5.735 1.00 0.00 H new ATOM 0 HE2 MET A 99 9.232 6.009 5.059 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.580 4.732 4.005 1.00 0.00 H new ATOM 1442 N TYR A 100 11.603 8.361 0.468 1.00 0.00 N ATOM 1443 CA TYR A 100 12.766 9.191 0.012 1.00 0.00 C ATOM 1444 C TYR A 100 12.522 10.696 0.150 1.00 0.00 C ATOM 1445 O TYR A 100 13.403 11.397 0.603 1.00 0.00 O ATOM 1446 CB TYR A 100 13.004 8.780 -1.444 1.00 0.00 C ATOM 1447 CG TYR A 100 13.814 7.508 -1.460 1.00 0.00 C ATOM 1448 CD1 TYR A 100 13.247 6.292 -0.986 1.00 0.00 C ATOM 1449 CD2 TYR A 100 15.146 7.527 -1.956 1.00 0.00 C ATOM 1450 CE1 TYR A 100 14.019 5.096 -1.007 1.00 0.00 C ATOM 1451 CE2 TYR A 100 15.913 6.332 -1.979 1.00 0.00 C ATOM 1452 CZ TYR A 100 15.354 5.119 -1.504 1.00 0.00 C ATOM 1453 OH TYR A 100 16.104 3.961 -1.530 1.00 0.00 O ATOM 0 H TYR A 100 11.103 7.863 -0.269 1.00 0.00 H new ATOM 0 HA TYR A 100 13.641 9.010 0.637 1.00 0.00 H new ATOM 0 HB2 TYR A 100 12.053 8.629 -1.954 1.00 0.00 H new ATOM 0 HB3 TYR A 100 13.531 9.570 -1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 100 12.234 6.276 -0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 100 15.575 8.451 -2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 100 13.593 4.172 -0.646 1.00 0.00 H new ATOM 0 HE2 TYR A 100 16.924 6.347 -2.359 1.00 0.00 H new ATOM 0 HH TYR A 100 16.991 4.154 -1.900 1.00 0.00 H new ATOM 1463 N PRO A 101 11.366 11.190 -0.233 1.00 0.00 N ATOM 1464 CA PRO A 101 11.104 12.641 -0.120 1.00 0.00 C ATOM 1465 C PRO A 101 10.469 13.087 1.217 1.00 0.00 C ATOM 1466 O PRO A 101 9.305 12.881 1.426 1.00 0.00 O ATOM 1467 CB PRO A 101 10.139 12.900 -1.251 1.00 0.00 C ATOM 1468 CG PRO A 101 9.475 11.582 -1.566 1.00 0.00 C ATOM 1469 CD PRO A 101 10.205 10.488 -0.809 1.00 0.00 C ATOM 0 HA PRO A 101 12.039 13.199 -0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.399 13.647 -0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.662 13.288 -2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.424 11.608 -1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.506 11.388 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.577 10.047 -0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.512 9.678 -1.470 1.00 0.00 H new ATOM 1477 N PRO A 102 11.296 13.729 2.091 1.00 0.00 N ATOM 1478 CA PRO A 102 10.716 14.218 3.362 1.00 0.00 C ATOM 1479 C PRO A 102 9.808 15.573 3.058 1.00 0.00 C ATOM 1480 O PRO A 102 10.319 16.308 2.239 1.00 0.00 O ATOM 1481 CB PRO A 102 12.015 14.564 4.157 1.00 0.00 C ATOM 1482 CG PRO A 102 13.029 14.862 3.105 1.00 0.00 C ATOM 1483 CD PRO A 102 12.710 14.057 1.933 1.00 0.00 C ATOM 0 HA PRO A 102 10.055 13.526 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 102 11.862 15.420 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 102 12.329 13.731 4.786 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.017 15.923 2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.031 14.631 3.465 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.889 14.610 1.011 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.324 13.157 1.890 1.00 0.00 H new ATOM 1491 N PRO A 103 8.678 16.093 3.885 1.00 0.00 N ATOM 1492 CA PRO A 103 8.642 14.773 4.687 1.00 0.00 C ATOM 1493 C PRO A 103 7.718 13.601 4.079 1.00 0.00 C ATOM 1494 O PRO A 103 6.932 13.724 3.144 1.00 0.00 O ATOM 1495 CB PRO A 103 8.284 15.097 6.050 1.00 0.00 C ATOM 1496 CG PRO A 103 7.601 16.271 5.928 1.00 0.00 C ATOM 1497 CD PRO A 103 7.276 16.338 4.499 1.00 0.00 C ATOM 0 HA PRO A 103 9.638 14.334 4.629 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.667 14.318 6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.166 15.209 6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.702 16.277 6.544 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.207 17.121 6.241 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.553 15.578 4.201 1.00 0.00 H new ATOM 0 HD3 PRO A 103 6.860 17.304 4.212 1.00 0.00 H new ATOM 1505 N TYR A 104 7.849 12.464 4.722 1.00 0.00 N ATOM 1506 CA TYR A 104 7.099 11.239 4.290 1.00 0.00 C ATOM 1507 C TYR A 104 5.727 11.128 5.009 1.00 0.00 C ATOM 1508 O TYR A 104 5.635 11.286 6.226 1.00 0.00 O ATOM 1509 CB TYR A 104 7.992 10.060 4.675 1.00 0.00 C ATOM 1510 CG TYR A 104 7.168 8.790 4.797 1.00 0.00 C ATOM 1511 CD1 TYR A 104 6.283 8.424 3.748 1.00 0.00 C ATOM 1512 CD2 TYR A 104 7.241 8.007 5.968 1.00 0.00 C ATOM 1513 CE1 TYR A 104 5.482 7.265 3.870 1.00 0.00 C ATOM 1514 CE2 TYR A 104 6.442 6.842 6.102 1.00 0.00 C ATOM 1515 CZ TYR A 104 5.566 6.475 5.048 1.00 0.00 C ATOM 1516 OH TYR A 104 4.802 5.324 5.174 1.00 0.00 O ATOM 0 H TYR A 104 8.449 12.331 5.536 1.00 0.00 H new ATOM 0 HA TYR A 104 6.885 11.267 3.222 1.00 0.00 H new ATOM 0 HB2 TYR A 104 8.771 9.925 3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.493 10.268 5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 104 6.222 9.031 2.857 1.00 0.00 H new ATOM 0 HD2 TYR A 104 7.908 8.296 6.767 1.00 0.00 H new ATOM 0 HE1 TYR A 104 4.811 6.982 3.073 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.500 6.241 6.997 1.00 0.00 H new ATOM 0 HH TYR A 104 5.041 4.862 6.005 1.00 0.00 H new ATOM 1526 N TYR A 105 4.710 10.812 4.231 1.00 0.00 N ATOM 1527 CA TYR A 105 3.305 10.605 4.707 1.00 0.00 C ATOM 1528 C TYR A 105 2.522 9.799 3.663 1.00 0.00 C ATOM 1529 O TYR A 105 2.255 10.267 2.574 1.00 0.00 O ATOM 1530 CB TYR A 105 2.733 12.002 4.775 1.00 0.00 C ATOM 1531 CG TYR A 105 1.360 11.943 5.387 1.00 0.00 C ATOM 1532 CD1 TYR A 105 0.253 11.594 4.586 1.00 0.00 C ATOM 1533 CD2 TYR A 105 1.190 12.198 6.776 1.00 0.00 C ATOM 1534 CE1 TYR A 105 -1.045 11.502 5.161 1.00 0.00 C ATOM 1535 CE2 TYR A 105 -0.109 12.105 7.359 1.00 0.00 C ATOM 1536 CZ TYR A 105 -1.233 11.756 6.544 1.00 0.00 C ATOM 1537 OH TYR A 105 -2.495 11.677 7.108 1.00 0.00 O ATOM 0 H TYR A 105 4.812 10.683 3.224 1.00 0.00 H new ATOM 0 HA TYR A 105 3.256 10.070 5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 105 3.382 12.645 5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 105 2.681 12.436 3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 105 0.391 11.396 3.533 1.00 0.00 H new ATOM 0 HD2 TYR A 105 2.041 12.461 7.387 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -1.890 11.238 4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -0.244 12.298 8.413 1.00 0.00 H new ATOM 0 HH TYR A 105 -2.439 11.880 8.065 1.00 0.00 H new ATOM 1547 N LEU A 106 2.129 8.591 3.995 1.00 0.00 N ATOM 1548 CA LEU A 106 1.353 7.731 3.030 1.00 0.00 C ATOM 1549 C LEU A 106 0.569 6.650 3.784 1.00 0.00 C ATOM 1550 O LEU A 106 0.077 6.887 4.875 1.00 0.00 O ATOM 1551 CB LEU A 106 2.393 7.132 2.069 1.00 0.00 C ATOM 1552 CG LEU A 106 1.872 7.234 0.627 1.00 0.00 C ATOM 1553 CD1 LEU A 106 1.806 8.708 0.212 1.00 0.00 C ATOM 1554 CD2 LEU A 106 2.815 6.475 -0.313 1.00 0.00 C ATOM 0 H LEU A 106 2.312 8.157 4.900 1.00 0.00 H new ATOM 0 HA LEU A 106 0.610 8.304 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.340 7.663 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.584 6.090 2.326 1.00 0.00 H new ATOM 0 HG LEU A 106 0.875 6.796 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.437 8.782 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.133 9.244 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.802 9.147 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.445 6.548 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.813 6.910 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.859 5.427 -0.016 1.00 0.00 H new ATOM 1566 N GLY A 108 0.405 5.477 3.207 1.00 0.00 N ATOM 1567 CA GLY A 108 -0.390 4.433 3.909 1.00 0.00 C ATOM 1568 C GLY A 108 0.008 3.012 3.486 1.00 0.00 C ATOM 1569 O GLY A 108 0.769 2.789 2.550 1.00 0.00 O ATOM 0 H GLY A 108 0.782 5.209 2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.255 4.540 4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.449 4.587 3.703 1.00 0.00 H new ATOM 1573 N ILE A 109 -0.516 2.052 4.201 1.00 0.00 N ATOM 1574 CA ILE A 109 -0.217 0.628 3.927 1.00 0.00 C ATOM 1575 C ILE A 109 -1.455 -0.056 3.349 1.00 0.00 C ATOM 1576 O ILE A 109 -2.574 0.332 3.627 1.00 0.00 O ATOM 1577 CB ILE A 109 0.110 0.030 5.305 1.00 0.00 C ATOM 1578 CG1 ILE A 109 1.268 0.785 5.977 1.00 0.00 C ATOM 1579 CG2 ILE A 109 0.471 -1.444 5.144 1.00 0.00 C ATOM 1580 CD1 ILE A 109 2.500 0.725 5.093 1.00 0.00 C ATOM 0 H ILE A 109 -1.154 2.206 4.982 1.00 0.00 H new ATOM 0 HA ILE A 109 0.596 0.501 3.212 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.768 0.127 5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.985 1.823 6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.485 0.345 6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 109 0.703 -1.870 6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.371 -1.979 4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 109 1.339 -1.537 4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.319 1.261 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.788 -0.315 4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 109 2.280 1.186 4.130 1.00 0.00 H new ATOM 1592 N GLY A 110 -1.261 -1.076 2.558 1.00 0.00 N ATOM 1593 CA GLY A 110 -2.430 -1.787 1.976 1.00 0.00 C ATOM 1594 C GLY A 110 -2.995 -2.751 3.014 1.00 0.00 C ATOM 1595 O GLY A 110 -2.271 -3.280 3.836 1.00 0.00 O ATOM 0 H GLY A 110 -0.348 -1.445 2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.194 -1.070 1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.131 -2.332 1.080 1.00 0.00 H new ATOM 1599 N ASN A 111 -4.285 -2.980 2.989 1.00 0.00 N ATOM 1600 CA ASN A 111 -4.897 -3.910 3.984 1.00 0.00 C ATOM 1601 C ASN A 111 -4.292 -5.312 3.845 1.00 0.00 C ATOM 1602 O ASN A 111 -4.039 -5.988 4.824 1.00 0.00 O ATOM 1603 CB ASN A 111 -6.392 -3.931 3.669 1.00 0.00 C ATOM 1604 CG ASN A 111 -7.127 -4.654 4.799 1.00 0.00 C ATOM 1605 OD1 ASN A 111 -6.818 -4.318 6.026 1.00 0.00 O flip ATOM 1606 ND2 ASN A 111 -7.956 -5.511 4.567 1.00 0.00 N flip ATOM 0 H ASN A 111 -4.938 -2.564 2.324 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.712 -3.585 5.008 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.769 -2.914 3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.570 -4.436 2.720 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.180 -5.756 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -8.428 -5.986 5.337 1.00 0.00 H new ATOM 1612 N GLY A 112 -4.041 -5.740 2.633 1.00 0.00 N ATOM 1613 CA GLY A 112 -3.432 -7.085 2.414 1.00 0.00 C ATOM 1614 C GLY A 112 -4.387 -8.011 1.657 1.00 0.00 C ATOM 1615 O GLY A 112 -5.568 -8.086 1.934 1.00 0.00 O ATOM 0 H GLY A 112 -4.233 -5.211 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -2.504 -6.979 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -3.175 -7.531 3.375 1.00 0.00 H new ATOM 1619 N THR A 113 -3.853 -8.728 0.703 1.00 0.00 N ATOM 1620 CA THR A 113 -4.664 -9.686 -0.107 1.00 0.00 C ATOM 1621 C THR A 113 -4.091 -11.090 0.074 1.00 0.00 C ATOM 1622 O THR A 113 -2.887 -11.258 0.109 1.00 0.00 O ATOM 1623 CB THR A 113 -4.451 -9.240 -1.560 1.00 0.00 C ATOM 1624 OG1 THR A 113 -4.983 -7.936 -1.742 1.00 0.00 O ATOM 1625 CG2 THR A 113 -5.131 -10.227 -2.525 1.00 0.00 C ATOM 0 H THR A 113 -2.867 -8.689 0.446 1.00 0.00 H new ATOM 0 HA THR A 113 -5.716 -9.699 0.178 1.00 0.00 H new ATOM 0 HB THR A 113 -3.382 -9.225 -1.774 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.886 -7.895 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.972 -9.899 -3.552 1.00 0.00 H new ATOM 0 HG22 THR A 113 -4.703 -11.220 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.200 -10.262 -2.316 1.00 0.00 H new ATOM 1633 N GLN A 114 -4.920 -12.100 0.151 1.00 0.00 N ATOM 1634 CA GLN A 114 -4.357 -13.476 0.289 1.00 0.00 C ATOM 1635 C GLN A 114 -4.133 -14.079 -1.096 1.00 0.00 C ATOM 1636 O GLN A 114 -5.044 -14.181 -1.891 1.00 0.00 O ATOM 1637 CB GLN A 114 -5.372 -14.312 1.087 1.00 0.00 C ATOM 1638 CG GLN A 114 -4.776 -15.700 1.331 1.00 0.00 C ATOM 1639 CD GLN A 114 -5.392 -16.327 2.579 1.00 0.00 C ATOM 1640 OE1 GLN A 114 -6.488 -15.980 2.975 1.00 0.00 O ATOM 1641 NE2 GLN A 114 -4.723 -17.246 3.220 1.00 0.00 N ATOM 0 H GLN A 114 -5.938 -12.036 0.125 1.00 0.00 H new ATOM 0 HA GLN A 114 -3.398 -13.458 0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -5.600 -13.826 2.036 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -6.310 -14.394 0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -4.958 -16.339 0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -3.695 -15.624 1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -3.804 -17.535 2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -5.119 -17.676 4.056 1.00 0.00 H new ATOM 1650 N ILE A 115 -2.931 -14.499 -1.387 1.00 0.00 N ATOM 1651 CA ILE A 115 -2.676 -15.126 -2.710 1.00 0.00 C ATOM 1652 C ILE A 115 -2.976 -16.627 -2.563 1.00 0.00 C ATOM 1653 O ILE A 115 -2.417 -17.286 -1.697 1.00 0.00 O ATOM 1654 CB ILE A 115 -1.187 -14.886 -3.015 1.00 0.00 C ATOM 1655 CG1 ILE A 115 -0.922 -13.384 -3.232 1.00 0.00 C ATOM 1656 CG2 ILE A 115 -0.754 -15.688 -4.255 1.00 0.00 C ATOM 1657 CD1 ILE A 115 -1.539 -12.913 -4.537 1.00 0.00 C ATOM 0 H ILE A 115 -2.122 -14.435 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.289 -14.719 -3.514 1.00 0.00 H new ATOM 0 HB ILE A 115 -0.600 -15.226 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.336 -12.813 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.152 -13.197 -3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 115 0.302 -15.506 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -0.911 -16.751 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.346 -15.376 -5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.340 -11.850 -4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -1.105 -13.470 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -2.616 -13.080 -4.512 1.00 0.00 H new ATOM 1669 N TYR A 116 -3.855 -17.166 -3.376 1.00 0.00 N ATOM 1670 CA TYR A 116 -4.190 -18.620 -3.255 1.00 0.00 C ATOM 1671 C TYR A 116 -3.361 -19.467 -4.214 1.00 0.00 C ATOM 1672 O TYR A 116 -2.989 -19.040 -5.289 1.00 0.00 O ATOM 1673 CB TYR A 116 -5.679 -18.761 -3.633 1.00 0.00 C ATOM 1674 CG TYR A 116 -6.627 -18.414 -2.481 1.00 0.00 C ATOM 1675 CD1 TYR A 116 -6.195 -18.429 -1.115 1.00 0.00 C ATOM 1676 CD2 TYR A 116 -7.989 -18.104 -2.778 1.00 0.00 C ATOM 1677 CE1 TYR A 116 -7.117 -18.146 -0.073 1.00 0.00 C ATOM 1678 CE2 TYR A 116 -8.901 -17.817 -1.733 1.00 0.00 C ATOM 1679 CZ TYR A 116 -8.468 -17.845 -0.380 1.00 0.00 C ATOM 1680 OH TYR A 116 -9.361 -17.570 0.635 1.00 0.00 O ATOM 0 H TYR A 116 -4.351 -16.665 -4.113 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.980 -18.964 -2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.895 -18.112 -4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -5.870 -19.784 -3.957 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.166 -18.656 -0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -8.325 -18.088 -3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -6.788 -18.160 0.956 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -9.928 -17.576 -1.965 1.00 0.00 H new ATOM 0 HH TYR A 116 -10.244 -17.383 0.252 1.00 0.00 H new ATOM 1690 N VAL A 117 -3.118 -20.690 -3.831 1.00 0.00 N ATOM 1691 CA VAL A 117 -2.366 -21.629 -4.702 1.00 0.00 C ATOM 1692 C VAL A 117 -3.138 -22.943 -4.752 1.00 0.00 C ATOM 1693 O VAL A 117 -4.051 -23.165 -3.977 1.00 0.00 O ATOM 1694 CB VAL A 117 -0.994 -21.833 -4.051 1.00 0.00 C ATOM 1695 CG1 VAL A 117 -0.191 -22.867 -4.859 1.00 0.00 C ATOM 1696 CG2 VAL A 117 -0.238 -20.503 -4.033 1.00 0.00 C ATOM 0 H VAL A 117 -3.414 -21.082 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.244 -21.253 -5.718 1.00 0.00 H new ATOM 0 HB VAL A 117 -1.125 -22.192 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.785 -23.012 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.730 -23.814 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.059 -22.508 -5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.738 -20.646 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.107 -20.145 -5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.806 -19.769 -3.462 1.00 0.00 H new