USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 11 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 15 HIS : no HD1:sc= -0.0853 X(o=-0.085,f=-0.094) USER MOD Set 2.1: A 1 MET CE :methyl -158:sc= 0 (180deg=-0.232) USER MOD Set 2.2: A 9 CYS SG : rot 65:sc= 0.901 USER MOD Single : A 1 MET N :NH3+ -101:sc= 0.0533 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 10 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.22) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 32:sc= 0.546 USER MOD Single : A 28 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.1) USER MOD Single : A 29 HIS : no HD1:sc= -0.297 K(o=-0.3,f=-1.2) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -87:sc= 0.607 USER MOD Single : A 39 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.0084) USER MOD Single : A 43 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.034) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0481 K(o=-0.048,f=-1.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.34) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -34:sc= 1.1 USER MOD Single : A 68 THR OG1 : rot -68:sc= -0.44 USER MOD Single : A 70 MET CE :methyl -162:sc= -0.148 (180deg=-0.643) USER MOD Single : A 74 THR OG1 : rot 160:sc= -0.758 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -37:sc= -0.0298 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot -100:sc= -3.23! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.113 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.791 -1.470 -0.226 1.00 0.00 N ATOM 2 CA MET A 1 1.448 -1.023 -1.450 1.00 0.00 C ATOM 3 C MET A 1 0.718 -1.549 -2.681 1.00 0.00 C ATOM 4 O MET A 1 0.025 -2.564 -2.617 1.00 0.00 O ATOM 5 CB MET A 1 2.906 -1.487 -1.470 1.00 0.00 C ATOM 6 CG MET A 1 3.760 -0.761 -2.497 1.00 0.00 C ATOM 7 SD MET A 1 5.523 -0.868 -2.134 1.00 0.00 S ATOM 8 CE MET A 1 6.048 0.802 -2.512 1.00 0.00 C ATOM 0 H1 MET A 1 0.210 -0.698 0.158 1.00 0.00 H new ATOM 0 H2 MET A 1 0.184 -2.288 -0.437 1.00 0.00 H new ATOM 0 H3 MET A 1 1.510 -1.743 0.474 1.00 0.00 H new ATOM 0 HA MET A 1 1.421 0.066 -1.471 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.339 -1.341 -0.480 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.936 -2.557 -1.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.570 -1.182 -3.484 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.464 0.287 -2.535 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.118 0.809 -2.719 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.507 1.164 -3.386 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.839 1.450 -1.661 1.00 0.00 H new ATOM 18 N ASP A 2 0.878 -0.852 -3.801 1.00 0.00 N ATOM 19 CA ASP A 2 0.234 -1.249 -5.048 1.00 0.00 C ATOM 20 C ASP A 2 1.233 -1.920 -5.985 1.00 0.00 C ATOM 21 O ASP A 2 2.419 -1.594 -5.980 1.00 0.00 O ATOM 22 CB ASP A 2 -0.391 -0.033 -5.734 1.00 0.00 C ATOM 23 CG ASP A 2 -1.817 -0.289 -6.179 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.014 -1.122 -7.089 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.736 0.342 -5.617 1.00 0.00 O ATOM 0 H ASP A 2 1.448 -0.009 -3.871 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.552 -1.966 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.374 0.815 -5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.212 0.243 -6.599 1.00 0.00 H new ATOM 30 N ASN A 3 0.744 -2.860 -6.788 1.00 0.00 N ATOM 31 CA ASN A 3 1.595 -3.578 -7.730 1.00 0.00 C ATOM 32 C ASN A 3 2.148 -2.634 -8.793 1.00 0.00 C ATOM 33 O ASN A 3 3.237 -2.851 -9.324 1.00 0.00 O ATOM 34 CB ASN A 3 0.811 -4.711 -8.396 1.00 0.00 C ATOM 35 CG ASN A 3 0.363 -5.766 -7.403 1.00 0.00 C ATOM 36 OD1 ASN A 3 1.106 -6.133 -6.493 1.00 0.00 O ATOM 37 ND2 ASN A 3 -0.858 -6.260 -7.575 1.00 0.00 N ATOM 0 H ASN A 3 -0.236 -3.142 -6.805 1.00 0.00 H new ATOM 0 HA ASN A 3 2.432 -4.001 -7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.062 -4.297 -8.901 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.431 -5.177 -9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.214 -6.973 -6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.440 -5.926 -8.344 1.00 0.00 H new ATOM 44 N ARG A 4 1.391 -1.586 -9.097 1.00 0.00 N ATOM 45 CA ARG A 4 1.805 -0.608 -10.097 1.00 0.00 C ATOM 46 C ARG A 4 2.968 0.235 -9.583 1.00 0.00 C ATOM 47 O ARG A 4 3.980 0.397 -10.266 1.00 0.00 O ATOM 48 CB ARG A 4 0.631 0.298 -10.471 1.00 0.00 C ATOM 49 CG ARG A 4 -0.482 -0.423 -11.214 1.00 0.00 C ATOM 50 CD ARG A 4 -0.021 -0.899 -12.583 1.00 0.00 C ATOM 51 NE ARG A 4 -1.121 -1.452 -13.369 1.00 0.00 N ATOM 52 CZ ARG A 4 -1.591 -2.684 -13.210 1.00 0.00 C ATOM 53 NH1 ARG A 4 -1.061 -3.486 -12.298 1.00 0.00 N ATOM 54 NH2 ARG A 4 -2.594 -3.115 -13.964 1.00 0.00 N ATOM 0 H ARG A 4 0.487 -1.391 -8.666 1.00 0.00 H new ATOM 0 HA ARG A 4 2.135 -1.149 -10.984 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.222 0.742 -9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.998 1.117 -11.089 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.820 -1.276 -10.626 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.336 0.244 -11.328 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.428 -0.066 -13.124 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.754 -1.656 -12.462 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.552 -0.860 -14.079 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.290 -3.158 -11.716 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.424 -4.432 -12.178 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.005 -2.500 -14.666 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.954 -4.061 -13.841 1.00 0.00 H new ATOM 68 N VAL A 5 2.818 0.770 -8.376 1.00 0.00 N ATOM 69 CA VAL A 5 3.855 1.596 -7.771 1.00 0.00 C ATOM 70 C VAL A 5 5.075 0.761 -7.399 1.00 0.00 C ATOM 71 O VAL A 5 6.213 1.209 -7.540 1.00 0.00 O ATOM 72 CB VAL A 5 3.337 2.316 -6.512 1.00 0.00 C ATOM 73 CG1 VAL A 5 2.246 3.311 -6.877 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.830 1.307 -5.492 1.00 0.00 C ATOM 0 H VAL A 5 1.987 0.646 -7.797 1.00 0.00 H new ATOM 0 HA VAL A 5 4.140 2.340 -8.515 1.00 0.00 H new ATOM 0 HB VAL A 5 4.164 2.867 -6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.892 3.810 -5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.646 4.052 -7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.417 2.785 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.468 1.833 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.017 0.727 -5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.642 0.637 -5.208 1.00 0.00 H new ATOM 84 N ARG A 6 4.830 -0.456 -6.924 1.00 0.00 N ATOM 85 CA ARG A 6 5.909 -1.355 -6.531 1.00 0.00 C ATOM 86 C ARG A 6 6.898 -1.551 -7.677 1.00 0.00 C ATOM 87 O ARG A 6 8.111 -1.493 -7.478 1.00 0.00 O ATOM 88 CB ARG A 6 5.342 -2.707 -6.095 1.00 0.00 C ATOM 89 CG ARG A 6 6.327 -3.555 -5.308 1.00 0.00 C ATOM 90 CD ARG A 6 5.614 -4.460 -4.315 1.00 0.00 C ATOM 91 NE ARG A 6 6.552 -5.257 -3.529 1.00 0.00 N ATOM 92 CZ ARG A 6 7.221 -6.296 -4.016 1.00 0.00 C ATOM 93 NH1 ARG A 6 7.057 -6.662 -5.280 1.00 0.00 N ATOM 94 NH2 ARG A 6 8.057 -6.972 -3.238 1.00 0.00 N ATOM 0 H ARG A 6 3.894 -0.842 -6.802 1.00 0.00 H new ATOM 0 HA ARG A 6 6.437 -0.903 -5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.453 -2.540 -5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.024 -3.260 -6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.917 -4.161 -5.995 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.023 -2.907 -4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.004 -3.854 -3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.936 -5.123 -4.852 1.00 0.00 H new ATOM 0 HE ARG A 6 6.702 -5.002 -2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.416 -6.145 -5.881 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.572 -7.460 -5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.186 -6.694 -2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.570 -7.770 -3.613 1.00 0.00 H new ATOM 108 N GLU A 7 6.369 -1.783 -8.874 1.00 0.00 N ATOM 109 CA GLU A 7 7.206 -1.990 -10.050 1.00 0.00 C ATOM 110 C GLU A 7 7.974 -0.718 -10.401 1.00 0.00 C ATOM 111 O GLU A 7 9.154 -0.769 -10.747 1.00 0.00 O ATOM 112 CB GLU A 7 6.351 -2.427 -11.242 1.00 0.00 C ATOM 113 CG GLU A 7 7.080 -3.343 -12.210 1.00 0.00 C ATOM 114 CD GLU A 7 7.202 -4.762 -11.692 1.00 0.00 C ATOM 115 OE1 GLU A 7 6.185 -5.312 -11.220 1.00 0.00 O ATOM 116 OE2 GLU A 7 8.316 -5.324 -11.758 1.00 0.00 O ATOM 0 H GLU A 7 5.366 -1.832 -9.055 1.00 0.00 H new ATOM 0 HA GLU A 7 7.924 -2.777 -9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.461 -2.937 -10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.011 -1.541 -11.779 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.551 -3.353 -13.163 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.076 -2.944 -12.402 1.00 0.00 H new ATOM 123 N ALA A 8 7.295 0.420 -10.310 1.00 0.00 N ATOM 124 CA ALA A 8 7.913 1.705 -10.616 1.00 0.00 C ATOM 125 C ALA A 8 9.123 1.958 -9.724 1.00 0.00 C ATOM 126 O ALA A 8 10.120 2.534 -10.162 1.00 0.00 O ATOM 127 CB ALA A 8 6.898 2.828 -10.464 1.00 0.00 C ATOM 0 H ALA A 8 6.317 0.479 -10.027 1.00 0.00 H new ATOM 0 HA ALA A 8 8.256 1.678 -11.650 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.373 3.781 -10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.066 2.661 -11.148 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.527 2.847 -9.439 1.00 0.00 H new ATOM 133 N CYS A 9 9.029 1.526 -8.471 1.00 0.00 N ATOM 134 CA CYS A 9 10.117 1.708 -7.516 1.00 0.00 C ATOM 135 C CYS A 9 11.384 1.010 -7.996 1.00 0.00 C ATOM 136 O CYS A 9 12.493 1.500 -7.782 1.00 0.00 O ATOM 137 CB CYS A 9 9.712 1.170 -6.143 1.00 0.00 C ATOM 138 SG CYS A 9 8.306 2.028 -5.398 1.00 0.00 S ATOM 0 H CYS A 9 8.211 1.048 -8.093 1.00 0.00 H new ATOM 0 HA CYS A 9 10.322 2.775 -7.434 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.469 0.111 -6.237 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.566 1.243 -5.470 1.00 0.00 H new ATOM 0 HG CYS A 9 7.243 1.825 -6.118 1.00 0.00 H new ATOM 144 N GLN A 10 11.212 -0.137 -8.646 1.00 0.00 N ATOM 145 CA GLN A 10 12.344 -0.903 -9.154 1.00 0.00 C ATOM 146 C GLN A 10 13.086 -0.126 -10.236 1.00 0.00 C ATOM 147 O GLN A 10 14.316 -0.096 -10.260 1.00 0.00 O ATOM 148 CB GLN A 10 11.868 -2.247 -9.710 1.00 0.00 C ATOM 149 CG GLN A 10 12.955 -3.308 -9.749 1.00 0.00 C ATOM 150 CD GLN A 10 13.471 -3.666 -8.369 1.00 0.00 C ATOM 151 OE1 GLN A 10 14.678 -3.662 -8.125 1.00 0.00 O ATOM 152 NE2 GLN A 10 12.558 -3.978 -7.458 1.00 0.00 N ATOM 0 H GLN A 10 10.301 -0.556 -8.833 1.00 0.00 H new ATOM 0 HA GLN A 10 13.030 -1.082 -8.326 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.040 -2.610 -9.102 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.481 -2.097 -10.718 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.565 -4.205 -10.231 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.783 -2.952 -10.361 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.568 -3.968 -7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.846 -4.227 -6.512 1.00 0.00 H new ATOM 161 N TYR A 11 12.330 0.502 -11.130 1.00 0.00 N ATOM 162 CA TYR A 11 12.916 1.277 -12.217 1.00 0.00 C ATOM 163 C TYR A 11 13.590 2.538 -11.685 1.00 0.00 C ATOM 164 O TYR A 11 14.731 2.840 -12.035 1.00 0.00 O ATOM 165 CB TYR A 11 11.843 1.653 -13.240 1.00 0.00 C ATOM 166 CG TYR A 11 12.312 2.656 -14.269 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.174 2.280 -15.292 1.00 0.00 C ATOM 168 CD2 TYR A 11 11.895 3.980 -14.218 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.606 3.194 -16.234 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.320 4.901 -15.156 1.00 0.00 C ATOM 171 CZ TYR A 11 13.176 4.503 -16.162 1.00 0.00 C ATOM 172 OH TYR A 11 13.603 5.417 -17.098 1.00 0.00 O ATOM 0 H TYR A 11 11.310 0.489 -11.123 1.00 0.00 H new ATOM 0 HA TYR A 11 13.672 0.659 -12.703 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.508 0.750 -13.751 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.979 2.061 -12.715 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.512 1.256 -15.352 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.226 4.295 -13.431 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.277 2.885 -17.022 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.984 5.926 -15.102 1.00 0.00 H new ATOM 0 HH TYR A 11 13.207 6.292 -16.905 1.00 0.00 H new ATOM 182 N ILE A 12 12.876 3.269 -10.835 1.00 0.00 N ATOM 183 CA ILE A 12 13.405 4.496 -10.253 1.00 0.00 C ATOM 184 C ILE A 12 14.650 4.216 -9.419 1.00 0.00 C ATOM 185 O ILE A 12 15.647 4.932 -9.514 1.00 0.00 O ATOM 186 CB ILE A 12 12.356 5.197 -9.369 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.107 5.529 -10.188 1.00 0.00 C ATOM 188 CG2 ILE A 12 12.941 6.458 -8.751 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.934 5.978 -9.345 1.00 0.00 C ATOM 0 H ILE A 12 11.930 3.033 -10.534 1.00 0.00 H new ATOM 0 HA ILE A 12 13.666 5.152 -11.083 1.00 0.00 H new ATOM 0 HB ILE A 12 12.071 4.520 -8.564 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.350 6.313 -10.905 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.815 4.650 -10.763 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.188 6.942 -8.129 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.804 6.196 -8.138 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.251 7.141 -9.542 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.084 6.196 -9.991 1.00 0.00 H new ATOM 0 HD12 ILE A 12 9.664 5.186 -8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.207 6.875 -8.790 1.00 0.00 H new ATOM 201 N SER A 13 14.587 3.169 -8.603 1.00 0.00 N ATOM 202 CA SER A 13 15.709 2.795 -7.750 1.00 0.00 C ATOM 203 C SER A 13 16.961 2.536 -8.583 1.00 0.00 C ATOM 204 O SER A 13 18.074 2.857 -8.166 1.00 0.00 O ATOM 205 CB SER A 13 15.362 1.551 -6.930 1.00 0.00 C ATOM 206 OG SER A 13 16.377 1.263 -5.985 1.00 0.00 O ATOM 0 H SER A 13 13.770 2.564 -8.514 1.00 0.00 H new ATOM 0 HA SER A 13 15.910 3.624 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.414 1.704 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.228 0.698 -7.596 1.00 0.00 H new ATOM 0 HG SER A 13 16.130 0.465 -5.473 1.00 0.00 H new ATOM 212 N ASP A 14 16.770 1.953 -9.761 1.00 0.00 N ATOM 213 CA ASP A 14 17.882 1.651 -10.654 1.00 0.00 C ATOM 214 C ASP A 14 18.516 2.933 -11.186 1.00 0.00 C ATOM 215 O ASP A 14 19.685 2.946 -11.573 1.00 0.00 O ATOM 216 CB ASP A 14 17.408 0.781 -11.819 1.00 0.00 C ATOM 217 CG ASP A 14 18.482 -0.172 -12.305 1.00 0.00 C ATOM 218 OD1 ASP A 14 19.326 -0.583 -11.483 1.00 0.00 O ATOM 219 OD2 ASP A 14 18.479 -0.505 -13.509 1.00 0.00 O ATOM 0 H ASP A 14 15.855 1.680 -10.120 1.00 0.00 H new ATOM 0 HA ASP A 14 18.634 1.104 -10.085 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.533 0.210 -11.509 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.095 1.422 -12.643 1.00 0.00 H new ATOM 224 N HIS A 15 17.737 4.010 -11.202 1.00 0.00 N ATOM 225 CA HIS A 15 18.221 5.297 -11.687 1.00 0.00 C ATOM 226 C HIS A 15 18.752 6.146 -10.536 1.00 0.00 C ATOM 227 O HIS A 15 18.897 7.363 -10.664 1.00 0.00 O ATOM 228 CB HIS A 15 17.104 6.045 -12.416 1.00 0.00 C ATOM 229 CG HIS A 15 16.871 5.559 -13.813 1.00 0.00 C ATOM 230 ND1 HIS A 15 16.792 6.404 -14.900 1.00 0.00 N ATOM 231 CD2 HIS A 15 16.700 4.307 -14.298 1.00 0.00 C ATOM 232 CE1 HIS A 15 16.581 5.692 -15.993 1.00 0.00 C ATOM 233 NE2 HIS A 15 16.521 4.417 -15.655 1.00 0.00 N ATOM 0 H HIS A 15 16.768 4.017 -10.885 1.00 0.00 H new ATOM 0 HA HIS A 15 19.037 5.111 -12.385 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.180 5.946 -11.847 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.348 7.107 -12.445 1.00 0.00 H new ATOM 0 HD2 HIS A 15 16.704 3.392 -13.724 1.00 0.00 H new ATOM 0 HE1 HIS A 15 16.476 6.086 -16.993 1.00 0.00 H new ATOM 0 HE2 HIS A 15 16.367 3.640 -16.298 1.00 0.00 H new ATOM 241 N LEU A 16 19.039 5.498 -9.412 1.00 0.00 N ATOM 242 CA LEU A 16 19.553 6.194 -8.238 1.00 0.00 C ATOM 243 C LEU A 16 20.845 6.936 -8.566 1.00 0.00 C ATOM 244 O LEU A 16 21.076 8.044 -8.083 1.00 0.00 O ATOM 245 CB LEU A 16 19.796 5.202 -7.099 1.00 0.00 C ATOM 246 CG LEU A 16 20.374 5.788 -5.810 1.00 0.00 C ATOM 247 CD1 LEU A 16 19.645 5.231 -4.597 1.00 0.00 C ATOM 248 CD2 LEU A 16 21.865 5.503 -5.716 1.00 0.00 C ATOM 0 H LEU A 16 18.924 4.492 -9.289 1.00 0.00 H new ATOM 0 HA LEU A 16 18.807 6.924 -7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.851 4.714 -6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.473 4.427 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 16 20.232 6.869 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 16 20.070 5.659 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 16 18.587 5.487 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 16 19.755 4.147 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 16 22.259 5.927 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 16 22.030 4.426 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 16 22.376 5.951 -6.568 1.00 0.00 H new ATOM 260 N ALA A 17 21.682 6.318 -9.392 1.00 0.00 N ATOM 261 CA ALA A 17 22.948 6.921 -9.789 1.00 0.00 C ATOM 262 C ALA A 17 22.773 7.808 -11.017 1.00 0.00 C ATOM 263 O ALA A 17 23.593 8.687 -11.281 1.00 0.00 O ATOM 264 CB ALA A 17 23.986 5.842 -10.058 1.00 0.00 C ATOM 0 H ALA A 17 21.506 5.400 -9.799 1.00 0.00 H new ATOM 0 HA ALA A 17 23.296 7.547 -8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.926 6.307 -10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.141 5.253 -9.154 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.635 5.192 -10.859 1.00 0.00 H new ATOM 270 N ASP A 18 21.701 7.570 -11.764 1.00 0.00 N ATOM 271 CA ASP A 18 21.419 8.348 -12.965 1.00 0.00 C ATOM 272 C ASP A 18 20.788 9.690 -12.607 1.00 0.00 C ATOM 273 O ASP A 18 20.161 9.832 -11.557 1.00 0.00 O ATOM 274 CB ASP A 18 20.491 7.567 -13.898 1.00 0.00 C ATOM 275 CG ASP A 18 20.652 7.975 -15.349 1.00 0.00 C ATOM 276 OD1 ASP A 18 21.667 7.589 -15.964 1.00 0.00 O ATOM 277 OD2 ASP A 18 19.763 8.681 -15.869 1.00 0.00 O ATOM 0 H ASP A 18 21.013 6.845 -11.560 1.00 0.00 H new ATOM 0 HA ASP A 18 22.363 8.535 -13.477 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.694 6.501 -13.799 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.457 7.724 -13.592 1.00 0.00 H new ATOM 282 N SER A 19 20.959 10.671 -13.487 1.00 0.00 N ATOM 283 CA SER A 19 20.410 12.004 -13.262 1.00 0.00 C ATOM 284 C SER A 19 19.110 12.194 -14.037 1.00 0.00 C ATOM 285 O SER A 19 18.150 12.770 -13.527 1.00 0.00 O ATOM 286 CB SER A 19 21.425 13.072 -13.675 1.00 0.00 C ATOM 287 OG SER A 19 20.813 14.347 -13.767 1.00 0.00 O ATOM 0 H SER A 19 21.473 10.569 -14.362 1.00 0.00 H new ATOM 0 HA SER A 19 20.196 12.108 -12.198 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.237 13.106 -12.949 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.867 12.807 -14.636 1.00 0.00 H new ATOM 0 HG SER A 19 21.482 15.013 -14.031 1.00 0.00 H new ATOM 293 N ASN A 20 19.088 11.705 -15.272 1.00 0.00 N ATOM 294 CA ASN A 20 17.906 11.821 -16.119 1.00 0.00 C ATOM 295 C ASN A 20 16.712 11.113 -15.487 1.00 0.00 C ATOM 296 O ASN A 20 16.613 9.886 -15.524 1.00 0.00 O ATOM 297 CB ASN A 20 18.187 11.234 -17.504 1.00 0.00 C ATOM 298 CG ASN A 20 19.147 12.087 -18.310 1.00 0.00 C ATOM 299 OD1 ASN A 20 20.293 11.702 -18.541 1.00 0.00 O ATOM 300 ND2 ASN A 20 18.682 13.254 -18.742 1.00 0.00 N ATOM 0 H ASN A 20 19.875 11.225 -15.709 1.00 0.00 H new ATOM 0 HA ASN A 20 17.665 12.879 -16.222 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.601 10.232 -17.394 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.249 11.133 -18.050 1.00 0.00 H new ATOM 0 HD21 ASN A 20 19.282 13.871 -19.289 1.00 0.00 H new ATOM 0 HD22 ASN A 20 17.725 13.533 -18.527 1.00 0.00 H new ATOM 307 N PHE A 21 15.807 11.894 -14.907 1.00 0.00 N ATOM 308 CA PHE A 21 14.619 11.342 -14.265 1.00 0.00 C ATOM 309 C PHE A 21 13.350 11.842 -14.950 1.00 0.00 C ATOM 310 O PHE A 21 13.003 13.019 -14.854 1.00 0.00 O ATOM 311 CB PHE A 21 14.594 11.717 -12.782 1.00 0.00 C ATOM 312 CG PHE A 21 13.462 11.086 -12.024 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.160 9.744 -12.193 1.00 0.00 C ATOM 314 CD2 PHE A 21 12.699 11.834 -11.141 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.118 9.161 -11.497 1.00 0.00 C ATOM 316 CE2 PHE A 21 11.656 11.256 -10.442 1.00 0.00 C ATOM 317 CZ PHE A 21 11.366 9.917 -10.620 1.00 0.00 C ATOM 0 H PHE A 21 15.873 12.911 -14.868 1.00 0.00 H new ATOM 0 HA PHE A 21 14.657 10.257 -14.357 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.538 11.420 -12.324 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.523 12.801 -12.691 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.746 9.147 -12.876 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.922 12.881 -10.997 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.892 8.114 -11.639 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.069 11.850 -9.758 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.553 9.462 -10.074 1.00 0.00 H new ATOM 327 N ASP A 22 12.663 10.939 -15.640 1.00 0.00 N ATOM 328 CA ASP A 22 11.432 11.287 -16.341 1.00 0.00 C ATOM 329 C ASP A 22 10.241 10.539 -15.750 1.00 0.00 C ATOM 330 O ASP A 22 10.075 9.340 -15.976 1.00 0.00 O ATOM 331 CB ASP A 22 11.561 10.970 -17.831 1.00 0.00 C ATOM 332 CG ASP A 22 10.266 11.196 -18.586 1.00 0.00 C ATOM 333 OD1 ASP A 22 9.490 12.085 -18.178 1.00 0.00 O ATOM 334 OD2 ASP A 22 10.028 10.484 -19.584 1.00 0.00 O ATOM 0 H ASP A 22 12.937 9.961 -15.729 1.00 0.00 H new ATOM 0 HA ASP A 22 11.263 12.357 -16.219 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.344 11.591 -18.265 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.873 9.933 -17.953 1.00 0.00 H new ATOM 339 N ILE A 23 9.416 11.254 -14.993 1.00 0.00 N ATOM 340 CA ILE A 23 8.241 10.657 -14.370 1.00 0.00 C ATOM 341 C ILE A 23 7.355 9.976 -15.408 1.00 0.00 C ATOM 342 O ILE A 23 6.633 9.029 -15.097 1.00 0.00 O ATOM 343 CB ILE A 23 7.410 11.709 -13.613 1.00 0.00 C ATOM 344 CG1 ILE A 23 6.320 11.029 -12.782 1.00 0.00 C ATOM 345 CG2 ILE A 23 6.797 12.703 -14.588 1.00 0.00 C ATOM 346 CD1 ILE A 23 5.937 11.800 -11.538 1.00 0.00 C ATOM 0 H ILE A 23 9.539 12.247 -14.796 1.00 0.00 H new ATOM 0 HA ILE A 23 8.603 9.913 -13.661 1.00 0.00 H new ATOM 0 HB ILE A 23 8.070 12.253 -12.937 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.434 10.893 -13.402 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.662 10.035 -12.493 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.213 13.440 -14.037 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.590 13.208 -15.140 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.148 12.175 -15.287 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.160 11.258 -10.999 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.811 11.914 -10.897 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.564 12.784 -11.821 1.00 0.00 H new ATOM 358 N ALA A 24 7.416 10.465 -16.642 1.00 0.00 N ATOM 359 CA ALA A 24 6.623 9.901 -17.727 1.00 0.00 C ATOM 360 C ALA A 24 7.044 8.467 -18.028 1.00 0.00 C ATOM 361 O ALA A 24 6.202 7.595 -18.244 1.00 0.00 O ATOM 362 CB ALA A 24 6.748 10.763 -18.975 1.00 0.00 C ATOM 0 H ALA A 24 8.006 11.251 -16.915 1.00 0.00 H new ATOM 0 HA ALA A 24 5.580 9.886 -17.411 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.151 10.330 -19.777 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.390 11.770 -18.759 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.792 10.807 -19.283 1.00 0.00 H new ATOM 368 N SER A 25 8.352 8.230 -18.041 1.00 0.00 N ATOM 369 CA SER A 25 8.885 6.901 -18.320 1.00 0.00 C ATOM 370 C SER A 25 8.448 5.905 -17.250 1.00 0.00 C ATOM 371 O SER A 25 8.235 4.726 -17.534 1.00 0.00 O ATOM 372 CB SER A 25 10.412 6.947 -18.397 1.00 0.00 C ATOM 373 OG SER A 25 10.849 7.990 -19.251 1.00 0.00 O ATOM 0 H SER A 25 9.062 8.940 -17.862 1.00 0.00 H new ATOM 0 HA SER A 25 8.490 6.572 -19.281 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.825 7.093 -17.399 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.790 5.992 -18.762 1.00 0.00 H new ATOM 0 HG SER A 25 10.217 8.737 -19.205 1.00 0.00 H new ATOM 379 N VAL A 26 8.316 6.388 -16.019 1.00 0.00 N ATOM 380 CA VAL A 26 7.904 5.542 -14.906 1.00 0.00 C ATOM 381 C VAL A 26 6.441 5.134 -15.038 1.00 0.00 C ATOM 382 O VAL A 26 6.069 4.005 -14.718 1.00 0.00 O ATOM 383 CB VAL A 26 8.107 6.253 -13.555 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.697 5.344 -12.406 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.552 6.701 -13.401 1.00 0.00 C ATOM 0 H VAL A 26 8.489 7.361 -15.767 1.00 0.00 H new ATOM 0 HA VAL A 26 8.531 4.651 -14.937 1.00 0.00 H new ATOM 0 HB VAL A 26 7.471 7.138 -13.531 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.847 5.863 -11.460 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.645 5.077 -12.510 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.304 4.439 -12.424 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.677 7.201 -12.441 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.209 5.832 -13.446 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.807 7.391 -14.206 1.00 0.00 H new ATOM 395 N ALA A 27 5.615 6.060 -15.513 1.00 0.00 N ATOM 396 CA ALA A 27 4.192 5.797 -15.690 1.00 0.00 C ATOM 397 C ALA A 27 3.958 4.762 -16.786 1.00 0.00 C ATOM 398 O ALA A 27 3.212 3.802 -16.596 1.00 0.00 O ATOM 399 CB ALA A 27 3.452 7.087 -16.013 1.00 0.00 C ATOM 0 H ALA A 27 5.907 7.000 -15.782 1.00 0.00 H new ATOM 0 HA ALA A 27 3.803 5.393 -14.755 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.391 6.875 -16.142 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.583 7.796 -15.196 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.851 7.515 -16.932 1.00 0.00 H new ATOM 405 N GLN A 28 4.599 4.966 -17.932 1.00 0.00 N ATOM 406 CA GLN A 28 4.459 4.050 -19.059 1.00 0.00 C ATOM 407 C GLN A 28 4.953 2.655 -18.691 1.00 0.00 C ATOM 408 O GLN A 28 4.378 1.651 -19.112 1.00 0.00 O ATOM 409 CB GLN A 28 5.232 4.576 -20.269 1.00 0.00 C ATOM 410 CG GLN A 28 6.710 4.804 -19.996 1.00 0.00 C ATOM 411 CD GLN A 28 7.450 5.344 -21.203 1.00 0.00 C ATOM 412 OE1 GLN A 28 8.231 4.632 -21.836 1.00 0.00 O ATOM 413 NE2 GLN A 28 7.209 6.608 -21.530 1.00 0.00 N ATOM 0 H GLN A 28 5.220 5.756 -18.105 1.00 0.00 H new ATOM 0 HA GLN A 28 3.401 3.985 -19.313 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.128 3.868 -21.091 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.783 5.514 -20.597 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.819 5.502 -19.166 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.167 3.865 -19.685 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.554 7.162 -20.978 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.679 7.025 -22.334 1.00 0.00 H new ATOM 422 N HIS A 29 6.023 2.600 -17.904 1.00 0.00 N ATOM 423 CA HIS A 29 6.596 1.327 -17.480 1.00 0.00 C ATOM 424 C HIS A 29 5.562 0.489 -16.734 1.00 0.00 C ATOM 425 O HIS A 29 5.550 -0.738 -16.838 1.00 0.00 O ATOM 426 CB HIS A 29 7.816 1.564 -16.589 1.00 0.00 C ATOM 427 CG HIS A 29 8.303 0.327 -15.900 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.314 -0.915 -16.500 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.799 0.145 -14.653 1.00 0.00 C ATOM 430 CE1 HIS A 29 8.795 -1.806 -15.652 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.097 -1.189 -14.524 1.00 0.00 N ATOM 0 H HIS A 29 6.511 3.422 -17.547 1.00 0.00 H new ATOM 0 HA HIS A 29 6.907 0.781 -18.371 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.624 1.975 -17.195 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.567 2.314 -15.838 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.935 0.907 -13.900 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.920 -2.861 -15.848 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.488 -1.632 -13.692 1.00 0.00 H new ATOM 439 N VAL A 30 4.695 1.158 -15.982 1.00 0.00 N ATOM 440 CA VAL A 30 3.657 0.475 -15.219 1.00 0.00 C ATOM 441 C VAL A 30 2.328 0.486 -15.967 1.00 0.00 C ATOM 442 O VAL A 30 1.273 0.243 -15.381 1.00 0.00 O ATOM 443 CB VAL A 30 3.460 1.122 -13.835 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.739 1.034 -13.017 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.010 2.568 -13.982 1.00 0.00 C ATOM 0 H VAL A 30 4.691 2.173 -15.884 1.00 0.00 H new ATOM 0 HA VAL A 30 3.988 -0.555 -15.086 1.00 0.00 H new ATOM 0 HB VAL A 30 2.680 0.575 -13.305 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.580 1.496 -12.043 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.013 -0.012 -12.882 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.541 1.555 -13.539 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.876 3.009 -12.994 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.765 3.130 -14.531 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.066 2.602 -14.526 1.00 0.00 H new ATOM 455 N CYS A 31 2.388 0.768 -17.263 1.00 0.00 N ATOM 456 CA CYS A 31 1.189 0.811 -18.093 1.00 0.00 C ATOM 457 C CYS A 31 0.127 1.709 -17.467 1.00 0.00 C ATOM 458 O CYS A 31 -1.066 1.404 -17.515 1.00 0.00 O ATOM 459 CB CYS A 31 0.630 -0.599 -18.291 1.00 0.00 C ATOM 460 SG CYS A 31 1.780 -1.743 -19.090 1.00 0.00 S ATOM 0 H CYS A 31 3.254 0.970 -17.762 1.00 0.00 H new ATOM 0 HA CYS A 31 1.463 1.225 -19.063 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.346 -1.005 -17.320 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.279 -0.537 -18.889 1.00 0.00 H new ATOM 0 HG CYS A 31 1.218 -2.909 -19.211 1.00 0.00 H new ATOM 466 N LEU A 32 0.567 2.815 -16.879 1.00 0.00 N ATOM 467 CA LEU A 32 -0.346 3.758 -16.241 1.00 0.00 C ATOM 468 C LEU A 32 0.086 5.197 -16.505 1.00 0.00 C ATOM 469 O LEU A 32 1.225 5.452 -16.894 1.00 0.00 O ATOM 470 CB LEU A 32 -0.407 3.499 -14.735 1.00 0.00 C ATOM 471 CG LEU A 32 -1.801 3.269 -14.150 1.00 0.00 C ATOM 472 CD1 LEU A 32 -1.758 2.193 -13.077 1.00 0.00 C ATOM 473 CD2 LEU A 32 -2.363 4.566 -13.585 1.00 0.00 C ATOM 0 H LEU A 32 1.550 3.082 -16.830 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.338 3.612 -16.669 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.208 2.627 -14.511 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.045 4.348 -14.222 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.459 2.929 -14.950 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.759 2.043 -12.672 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.399 1.260 -13.511 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.086 2.503 -12.277 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.355 4.383 -13.173 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.706 4.935 -12.798 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.431 5.310 -14.379 1.00 0.00 H new ATOM 485 N SER A 33 -0.832 6.134 -16.287 1.00 0.00 N ATOM 486 CA SER A 33 -0.546 7.548 -16.502 1.00 0.00 C ATOM 487 C SER A 33 0.185 8.143 -15.303 1.00 0.00 C ATOM 488 O SER A 33 0.161 7.602 -14.197 1.00 0.00 O ATOM 489 CB SER A 33 -1.843 8.318 -16.757 1.00 0.00 C ATOM 490 OG SER A 33 -2.163 8.336 -18.137 1.00 0.00 O ATOM 0 H SER A 33 -1.779 5.940 -15.962 1.00 0.00 H new ATOM 0 HA SER A 33 0.098 7.635 -17.377 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.658 7.859 -16.198 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.741 9.340 -16.391 1.00 0.00 H new ATOM 0 HG SER A 33 -2.997 8.833 -18.273 1.00 0.00 H new ATOM 496 N PRO A 34 0.853 9.285 -15.525 1.00 0.00 N ATOM 497 CA PRO A 34 1.604 9.980 -14.475 1.00 0.00 C ATOM 498 C PRO A 34 0.691 10.603 -13.425 1.00 0.00 C ATOM 499 O PRO A 34 0.999 10.588 -12.233 1.00 0.00 O ATOM 500 CB PRO A 34 2.359 11.069 -15.241 1.00 0.00 C ATOM 501 CG PRO A 34 1.539 11.311 -16.461 1.00 0.00 C ATOM 502 CD PRO A 34 0.925 9.986 -16.818 1.00 0.00 C ATOM 0 HA PRO A 34 2.253 9.302 -13.921 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.459 11.976 -14.645 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.367 10.745 -15.499 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.769 12.059 -16.272 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.156 11.688 -17.277 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.062 10.108 -17.265 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.536 9.441 -17.537 1.00 0.00 H new ATOM 510 N SER A 35 -0.434 11.150 -13.874 1.00 0.00 N ATOM 511 CA SER A 35 -1.390 11.782 -12.973 1.00 0.00 C ATOM 512 C SER A 35 -1.988 10.759 -12.012 1.00 0.00 C ATOM 513 O SER A 35 -2.070 10.997 -10.807 1.00 0.00 O ATOM 514 CB SER A 35 -2.505 12.460 -13.772 1.00 0.00 C ATOM 515 OG SER A 35 -1.997 13.532 -14.547 1.00 0.00 O ATOM 0 H SER A 35 -0.706 11.168 -14.857 1.00 0.00 H new ATOM 0 HA SER A 35 -0.860 12.536 -12.391 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.984 11.730 -14.425 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.271 12.830 -13.091 1.00 0.00 H new ATOM 0 HG SER A 35 -2.728 13.948 -15.050 1.00 0.00 H new ATOM 521 N ARG A 36 -2.405 9.620 -12.555 1.00 0.00 N ATOM 522 CA ARG A 36 -2.997 8.560 -11.747 1.00 0.00 C ATOM 523 C ARG A 36 -1.935 7.864 -10.901 1.00 0.00 C ATOM 524 O ARG A 36 -2.140 7.609 -9.713 1.00 0.00 O ATOM 525 CB ARG A 36 -3.701 7.540 -12.643 1.00 0.00 C ATOM 526 CG ARG A 36 -4.366 6.410 -11.873 1.00 0.00 C ATOM 527 CD ARG A 36 -5.486 6.925 -10.983 1.00 0.00 C ATOM 528 NE ARG A 36 -6.401 5.859 -10.583 1.00 0.00 N ATOM 529 CZ ARG A 36 -7.232 5.953 -9.551 1.00 0.00 C ATOM 530 NH1 ARG A 36 -7.262 7.058 -8.818 1.00 0.00 N ATOM 531 NH2 ARG A 36 -8.035 4.941 -9.250 1.00 0.00 N ATOM 0 H ARG A 36 -2.344 9.407 -13.551 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.730 9.012 -11.079 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.454 8.053 -13.241 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.975 7.117 -13.338 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.765 5.676 -12.574 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.622 5.897 -11.263 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.059 7.388 -10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.041 7.700 -11.511 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.402 4.995 -11.126 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.646 7.838 -9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.901 7.127 -8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.015 4.090 -9.811 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.673 5.014 -8.457 1.00 0.00 H new ATOM 545 N LEU A 37 -0.801 7.557 -11.520 1.00 0.00 N ATOM 546 CA LEU A 37 0.294 6.889 -10.825 1.00 0.00 C ATOM 547 C LEU A 37 0.812 7.747 -9.675 1.00 0.00 C ATOM 548 O LEU A 37 1.048 7.249 -8.574 1.00 0.00 O ATOM 549 CB LEU A 37 1.432 6.583 -11.800 1.00 0.00 C ATOM 550 CG LEU A 37 2.707 6.007 -11.184 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.556 4.513 -10.943 1.00 0.00 C ATOM 552 CD2 LEU A 37 3.906 6.286 -12.079 1.00 0.00 C ATOM 0 H LEU A 37 -0.615 7.760 -12.502 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.086 5.953 -10.414 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.064 5.880 -12.548 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.690 7.502 -12.326 1.00 0.00 H new ATOM 0 HG LEU A 37 2.875 6.494 -10.223 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.473 4.121 -10.504 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.724 4.337 -10.262 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.363 4.009 -11.890 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.804 5.869 -11.624 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.746 5.827 -13.055 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.027 7.362 -12.200 1.00 0.00 H new ATOM 564 N SER A 38 0.985 9.038 -9.937 1.00 0.00 N ATOM 565 CA SER A 38 1.476 9.965 -8.924 1.00 0.00 C ATOM 566 C SER A 38 0.536 10.005 -7.723 1.00 0.00 C ATOM 567 O SER A 38 0.979 10.078 -6.576 1.00 0.00 O ATOM 568 CB SER A 38 1.626 11.368 -9.516 1.00 0.00 C ATOM 569 OG SER A 38 0.371 11.887 -9.920 1.00 0.00 O ATOM 0 H SER A 38 0.792 9.466 -10.842 1.00 0.00 H new ATOM 0 HA SER A 38 2.452 9.614 -8.588 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.077 12.031 -8.778 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.302 11.335 -10.371 1.00 0.00 H new ATOM 0 HG SER A 38 0.176 11.597 -10.836 1.00 0.00 H new ATOM 575 N HIS A 39 -0.764 9.957 -7.995 1.00 0.00 N ATOM 576 CA HIS A 39 -1.768 9.988 -6.937 1.00 0.00 C ATOM 577 C HIS A 39 -1.589 8.810 -5.984 1.00 0.00 C ATOM 578 O HIS A 39 -1.574 8.982 -4.765 1.00 0.00 O ATOM 579 CB HIS A 39 -3.174 9.963 -7.539 1.00 0.00 C ATOM 580 CG HIS A 39 -4.263 10.112 -6.522 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.975 11.280 -6.347 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.762 9.231 -5.623 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.864 11.111 -5.385 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.755 9.876 -4.929 1.00 0.00 N ATOM 0 H HIS A 39 -1.147 9.897 -8.938 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.638 10.912 -6.373 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.261 10.765 -8.272 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.314 9.024 -8.075 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.439 8.211 -5.479 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.561 11.856 -5.031 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.318 9.468 -4.182 1.00 0.00 H new ATOM 592 N LEU A 40 -1.454 7.614 -6.548 1.00 0.00 N ATOM 593 CA LEU A 40 -1.277 6.407 -5.748 1.00 0.00 C ATOM 594 C LEU A 40 0.107 6.378 -5.106 1.00 0.00 C ATOM 595 O LEU A 40 0.283 5.846 -4.010 1.00 0.00 O ATOM 596 CB LEU A 40 -1.476 5.163 -6.615 1.00 0.00 C ATOM 597 CG LEU A 40 -2.794 5.087 -7.386 1.00 0.00 C ATOM 598 CD1 LEU A 40 -2.833 3.838 -8.253 1.00 0.00 C ATOM 599 CD2 LEU A 40 -3.975 5.110 -6.427 1.00 0.00 C ATOM 0 H LEU A 40 -1.464 7.455 -7.555 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.025 6.413 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.656 5.108 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.401 4.283 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.863 5.959 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.778 3.800 -8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.008 3.863 -8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.741 2.954 -7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.905 5.055 -6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.911 4.258 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.956 6.034 -5.849 1.00 0.00 H new ATOM 611 N PHE A 41 1.085 6.955 -5.795 1.00 0.00 N ATOM 612 CA PHE A 41 2.453 6.996 -5.292 1.00 0.00 C ATOM 613 C PHE A 41 2.549 7.875 -4.048 1.00 0.00 C ATOM 614 O PHE A 41 3.068 7.452 -3.015 1.00 0.00 O ATOM 615 CB PHE A 41 3.402 7.518 -6.374 1.00 0.00 C ATOM 616 CG PHE A 41 4.643 6.688 -6.535 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.757 6.924 -5.746 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.695 5.672 -7.475 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.901 6.162 -5.892 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.836 4.906 -7.626 1.00 0.00 C ATOM 621 CZ PHE A 41 6.940 5.151 -6.832 1.00 0.00 C ATOM 0 H PHE A 41 0.956 7.401 -6.703 1.00 0.00 H new ATOM 0 HA PHE A 41 2.745 5.981 -5.022 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.871 7.552 -7.326 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.688 8.542 -6.132 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.731 7.712 -5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.834 5.476 -8.097 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.763 6.357 -5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.864 4.117 -8.363 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.832 4.553 -6.946 1.00 0.00 H new ATOM 631 N ARG A 42 2.046 9.100 -4.157 1.00 0.00 N ATOM 632 CA ARG A 42 2.076 10.039 -3.042 1.00 0.00 C ATOM 633 C ARG A 42 1.111 9.608 -1.941 1.00 0.00 C ATOM 634 O ARG A 42 1.313 9.922 -0.769 1.00 0.00 O ATOM 635 CB ARG A 42 1.721 11.447 -3.524 1.00 0.00 C ATOM 636 CG ARG A 42 2.536 12.543 -2.858 1.00 0.00 C ATOM 637 CD ARG A 42 1.651 13.683 -2.379 1.00 0.00 C ATOM 638 NE ARG A 42 1.533 14.741 -3.379 1.00 0.00 N ATOM 639 CZ ARG A 42 0.841 15.859 -3.188 1.00 0.00 C ATOM 640 NH1 ARG A 42 0.209 16.063 -2.041 1.00 0.00 N ATOM 641 NH2 ARG A 42 0.780 16.775 -4.146 1.00 0.00 N ATOM 0 H ARG A 42 1.613 9.465 -5.005 1.00 0.00 H new ATOM 0 HA ARG A 42 3.086 10.046 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.869 11.501 -4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.663 11.629 -3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.085 12.127 -2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.276 12.926 -3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.660 13.297 -2.141 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.061 14.098 -1.458 1.00 0.00 H new ATOM 0 HE ARG A 42 2.008 14.615 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.253 15.361 -1.302 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.322 16.922 -1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.265 16.621 -5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.248 17.633 -3.998 1.00 0.00 H new ATOM 655 N GLN A 43 0.064 8.888 -2.329 1.00 0.00 N ATOM 656 CA GLN A 43 -0.932 8.415 -1.375 1.00 0.00 C ATOM 657 C GLN A 43 -0.420 7.198 -0.611 1.00 0.00 C ATOM 658 O GLN A 43 -0.621 7.084 0.598 1.00 0.00 O ATOM 659 CB GLN A 43 -2.236 8.068 -2.096 1.00 0.00 C ATOM 660 CG GLN A 43 -3.364 7.671 -1.158 1.00 0.00 C ATOM 661 CD GLN A 43 -3.852 8.828 -0.309 1.00 0.00 C ATOM 662 OE1 GLN A 43 -3.960 8.715 0.912 1.00 0.00 O ATOM 663 NE2 GLN A 43 -4.149 9.951 -0.953 1.00 0.00 N ATOM 0 H GLN A 43 -0.117 8.620 -3.296 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.122 9.216 -0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.553 8.926 -2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.050 7.251 -2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.196 7.278 -1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.024 6.866 -0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.045 10.001 -1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.481 10.764 -0.434 1.00 0.00 H new ATOM 672 N GLN A 44 0.240 6.292 -1.325 1.00 0.00 N ATOM 673 CA GLN A 44 0.780 5.083 -0.714 1.00 0.00 C ATOM 674 C GLN A 44 2.103 5.372 -0.013 1.00 0.00 C ATOM 675 O GLN A 44 2.377 4.840 1.063 1.00 0.00 O ATOM 676 CB GLN A 44 0.974 3.995 -1.771 1.00 0.00 C ATOM 677 CG GLN A 44 -0.326 3.509 -2.390 1.00 0.00 C ATOM 678 CD GLN A 44 -0.935 2.346 -1.631 1.00 0.00 C ATOM 679 OE1 GLN A 44 -0.587 2.093 -0.477 1.00 0.00 O ATOM 680 NE2 GLN A 44 -1.850 1.632 -2.276 1.00 0.00 N ATOM 0 H GLN A 44 0.414 6.372 -2.327 1.00 0.00 H new ATOM 0 HA GLN A 44 0.066 4.731 0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.621 4.378 -2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.490 3.148 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.040 4.332 -2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.143 3.209 -3.422 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.108 1.878 -3.232 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.295 0.838 -1.816 1.00 0.00 H new ATOM 689 N LEU A 45 2.922 6.216 -0.631 1.00 0.00 N ATOM 690 CA LEU A 45 4.218 6.575 -0.067 1.00 0.00 C ATOM 691 C LEU A 45 4.094 7.781 0.860 1.00 0.00 C ATOM 692 O LEU A 45 4.988 8.057 1.659 1.00 0.00 O ATOM 693 CB LEU A 45 5.217 6.878 -1.186 1.00 0.00 C ATOM 694 CG LEU A 45 5.435 5.765 -2.211 1.00 0.00 C ATOM 695 CD1 LEU A 45 6.847 5.825 -2.772 1.00 0.00 C ATOM 696 CD2 LEU A 45 5.164 4.404 -1.586 1.00 0.00 C ATOM 0 H LEU A 45 2.711 6.664 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 45 4.580 5.728 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.881 7.770 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.178 7.120 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 45 4.734 5.911 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.984 5.025 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.005 6.788 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.566 5.705 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.324 3.624 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.840 4.248 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.133 4.364 -1.234 1.00 0.00 H new ATOM 708 N GLY A 46 2.978 8.494 0.748 1.00 0.00 N ATOM 709 CA GLY A 46 2.756 9.660 1.583 1.00 0.00 C ATOM 710 C GLY A 46 3.732 10.781 1.284 1.00 0.00 C ATOM 711 O GLY A 46 3.812 11.758 2.030 1.00 0.00 O ATOM 0 H GLY A 46 2.224 8.285 0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.738 10.020 1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.845 9.375 2.631 1.00 0.00 H new ATOM 715 N ILE A 47 4.476 10.641 0.192 1.00 0.00 N ATOM 716 CA ILE A 47 5.451 11.650 -0.202 1.00 0.00 C ATOM 717 C ILE A 47 5.617 11.692 -1.717 1.00 0.00 C ATOM 718 O ILE A 47 5.163 10.794 -2.427 1.00 0.00 O ATOM 719 CB ILE A 47 6.824 11.390 0.446 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.422 10.084 -0.081 1.00 0.00 C ATOM 721 CG2 ILE A 47 6.694 11.346 1.961 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.785 9.768 0.494 1.00 0.00 C ATOM 0 H ILE A 47 4.422 9.839 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 47 5.070 12.610 0.146 1.00 0.00 H new ATOM 0 HB ILE A 47 7.495 12.207 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.741 9.264 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.499 10.141 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.672 11.161 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.306 12.299 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.010 10.546 2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.147 8.829 0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.480 10.569 0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.711 9.678 1.578 1.00 0.00 H new ATOM 734 N SER A 48 6.272 12.739 -2.207 1.00 0.00 N ATOM 735 CA SER A 48 6.497 12.900 -3.639 1.00 0.00 C ATOM 736 C SER A 48 7.629 11.996 -4.116 1.00 0.00 C ATOM 737 O SER A 48 8.465 11.558 -3.325 1.00 0.00 O ATOM 738 CB SER A 48 6.822 14.359 -3.965 1.00 0.00 C ATOM 739 OG SER A 48 6.408 14.692 -5.279 1.00 0.00 O ATOM 0 H SER A 48 6.657 13.489 -1.633 1.00 0.00 H new ATOM 0 HA SER A 48 5.583 12.614 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.328 15.014 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.894 14.527 -3.864 1.00 0.00 H new ATOM 0 HG SER A 48 6.625 15.630 -5.463 1.00 0.00 H new ATOM 745 N VAL A 49 7.650 11.720 -5.416 1.00 0.00 N ATOM 746 CA VAL A 49 8.680 10.869 -6.000 1.00 0.00 C ATOM 747 C VAL A 49 10.075 11.376 -5.653 1.00 0.00 C ATOM 748 O VAL A 49 10.973 10.593 -5.344 1.00 0.00 O ATOM 749 CB VAL A 49 8.541 10.792 -7.532 1.00 0.00 C ATOM 750 CG1 VAL A 49 7.299 10.001 -7.917 1.00 0.00 C ATOM 751 CG2 VAL A 49 8.501 12.188 -8.135 1.00 0.00 C ATOM 0 H VAL A 49 6.966 12.073 -6.085 1.00 0.00 H new ATOM 0 HA VAL A 49 8.544 9.873 -5.579 1.00 0.00 H new ATOM 0 HB VAL A 49 9.412 10.273 -7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.218 9.957 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.374 8.989 -7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.415 10.489 -7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.403 12.114 -9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.650 12.735 -7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.422 12.717 -7.890 1.00 0.00 H new ATOM 761 N LEU A 50 10.249 12.692 -5.704 1.00 0.00 N ATOM 762 CA LEU A 50 11.536 13.306 -5.394 1.00 0.00 C ATOM 763 C LEU A 50 11.937 13.030 -3.949 1.00 0.00 C ATOM 764 O LEU A 50 13.119 12.880 -3.639 1.00 0.00 O ATOM 765 CB LEU A 50 11.476 14.815 -5.639 1.00 0.00 C ATOM 766 CG LEU A 50 12.796 15.486 -6.018 1.00 0.00 C ATOM 767 CD1 LEU A 50 13.301 14.956 -7.351 1.00 0.00 C ATOM 768 CD2 LEU A 50 12.629 16.998 -6.072 1.00 0.00 C ATOM 0 H LEU A 50 9.516 13.354 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 50 12.287 12.867 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.754 15.006 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.093 15.294 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 50 13.535 15.249 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 50 14.242 15.445 -7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.460 13.880 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 50 12.564 15.162 -8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.579 17.459 -6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.875 17.254 -6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.314 17.364 -5.095 1.00 0.00 H new ATOM 780 N SER A 51 10.944 12.961 -3.068 1.00 0.00 N ATOM 781 CA SER A 51 11.193 12.704 -1.654 1.00 0.00 C ATOM 782 C SER A 51 11.591 11.248 -1.428 1.00 0.00 C ATOM 783 O SER A 51 12.572 10.961 -0.742 1.00 0.00 O ATOM 784 CB SER A 51 9.950 13.038 -0.826 1.00 0.00 C ATOM 785 OG SER A 51 9.891 14.423 -0.532 1.00 0.00 O ATOM 0 H SER A 51 9.960 13.079 -3.308 1.00 0.00 H new ATOM 0 HA SER A 51 12.017 13.342 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.055 12.740 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.963 12.466 0.102 1.00 0.00 H new ATOM 0 HG SER A 51 9.087 14.611 -0.004 1.00 0.00 H new ATOM 791 N TRP A 52 10.824 10.335 -2.011 1.00 0.00 N ATOM 792 CA TRP A 52 11.096 8.908 -1.875 1.00 0.00 C ATOM 793 C TRP A 52 12.416 8.539 -2.542 1.00 0.00 C ATOM 794 O TRP A 52 13.219 7.795 -1.980 1.00 0.00 O ATOM 795 CB TRP A 52 9.956 8.090 -2.483 1.00 0.00 C ATOM 796 CG TRP A 52 10.209 6.613 -2.466 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.080 5.772 -1.398 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.638 5.804 -3.567 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.402 4.488 -1.768 1.00 0.00 N ATOM 800 CE2 TRP A 52 10.747 4.481 -3.094 1.00 0.00 C ATOM 801 CE3 TRP A 52 10.937 6.067 -4.906 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.144 3.429 -3.914 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.332 5.021 -5.718 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.431 3.715 -5.221 1.00 0.00 C ATOM 0 H TRP A 52 10.009 10.556 -2.583 1.00 0.00 H new ATOM 0 HA TRP A 52 11.171 8.678 -0.812 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.036 8.300 -1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.796 8.412 -3.512 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.770 6.072 -0.408 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.387 3.673 -1.155 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.861 7.070 -5.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.223 2.422 -3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.569 5.214 -6.754 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.740 2.919 -5.882 1.00 0.00 H new ATOM 815 N ARG A 53 12.633 9.064 -3.744 1.00 0.00 N ATOM 816 CA ARG A 53 13.856 8.788 -4.488 1.00 0.00 C ATOM 817 C ARG A 53 15.086 9.210 -3.689 1.00 0.00 C ATOM 818 O ARG A 53 16.049 8.454 -3.569 1.00 0.00 O ATOM 819 CB ARG A 53 13.835 9.516 -5.833 1.00 0.00 C ATOM 820 CG ARG A 53 14.966 9.109 -6.764 1.00 0.00 C ATOM 821 CD ARG A 53 15.194 10.148 -7.851 1.00 0.00 C ATOM 822 NE ARG A 53 15.904 11.320 -7.347 1.00 0.00 N ATOM 823 CZ ARG A 53 16.090 12.428 -8.057 1.00 0.00 C ATOM 824 NH1 ARG A 53 15.620 12.514 -9.293 1.00 0.00 N ATOM 825 NH2 ARG A 53 16.747 13.453 -7.529 1.00 0.00 N ATOM 0 H ARG A 53 11.978 9.682 -4.223 1.00 0.00 H new ATOM 0 HA ARG A 53 13.909 7.714 -4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.882 9.323 -6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.890 10.590 -5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 53 15.882 8.976 -6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.734 8.147 -7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.764 9.701 -8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.234 10.456 -8.265 1.00 0.00 H new ATOM 0 HE ARG A 53 16.278 11.287 -6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.114 11.729 -9.702 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.764 13.366 -9.835 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.110 13.391 -6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.889 14.303 -8.075 1.00 0.00 H new ATOM 839 N GLU A 54 15.044 10.422 -3.144 1.00 0.00 N ATOM 840 CA GLU A 54 16.155 10.944 -2.358 1.00 0.00 C ATOM 841 C GLU A 54 16.333 10.145 -1.070 1.00 0.00 C ATOM 842 O GLU A 54 17.456 9.888 -0.636 1.00 0.00 O ATOM 843 CB GLU A 54 15.926 12.420 -2.027 1.00 0.00 C ATOM 844 CG GLU A 54 16.873 12.961 -0.968 1.00 0.00 C ATOM 845 CD GLU A 54 17.046 14.465 -1.054 1.00 0.00 C ATOM 846 OE1 GLU A 54 17.012 15.002 -2.181 1.00 0.00 O ATOM 847 OE2 GLU A 54 17.216 15.104 0.005 1.00 0.00 O ATOM 0 H GLU A 54 14.253 11.060 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 54 17.063 10.849 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.038 13.009 -2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.899 12.552 -1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.495 12.698 0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.845 12.480 -1.076 1.00 0.00 H new ATOM 854 N ASP A 55 15.217 9.755 -0.464 1.00 0.00 N ATOM 855 CA ASP A 55 15.248 8.985 0.774 1.00 0.00 C ATOM 856 C ASP A 55 16.099 7.729 0.612 1.00 0.00 C ATOM 857 O ASP A 55 16.793 7.315 1.539 1.00 0.00 O ATOM 858 CB ASP A 55 13.829 8.604 1.198 1.00 0.00 C ATOM 859 CG ASP A 55 13.786 7.977 2.578 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.961 6.744 2.677 1.00 0.00 O ATOM 861 OD2 ASP A 55 13.577 8.720 3.560 1.00 0.00 O ATOM 0 H ASP A 55 14.280 9.959 -0.810 1.00 0.00 H new ATOM 0 HA ASP A 55 15.696 9.607 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.198 9.493 1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.411 7.907 0.472 1.00 0.00 H new ATOM 866 N GLN A 56 16.038 7.129 -0.573 1.00 0.00 N ATOM 867 CA GLN A 56 16.801 5.919 -0.855 1.00 0.00 C ATOM 868 C GLN A 56 18.292 6.226 -0.948 1.00 0.00 C ATOM 869 O GLN A 56 19.129 5.406 -0.569 1.00 0.00 O ATOM 870 CB GLN A 56 16.318 5.278 -2.158 1.00 0.00 C ATOM 871 CG GLN A 56 15.172 4.298 -1.965 1.00 0.00 C ATOM 872 CD GLN A 56 15.642 2.936 -1.493 1.00 0.00 C ATOM 873 OE1 GLN A 56 16.835 2.634 -1.522 1.00 0.00 O ATOM 874 NE2 GLN A 56 14.704 2.106 -1.053 1.00 0.00 N ATOM 0 H GLN A 56 15.469 7.461 -1.352 1.00 0.00 H new ATOM 0 HA GLN A 56 16.643 5.220 -0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 56 16.002 6.064 -2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.153 4.760 -2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.468 4.706 -1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.632 4.186 -2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.727 2.398 -1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.961 1.176 -0.721 1.00 0.00 H new ATOM 883 N ARG A 57 18.617 7.410 -1.454 1.00 0.00 N ATOM 884 CA ARG A 57 20.008 7.824 -1.598 1.00 0.00 C ATOM 885 C ARG A 57 20.702 7.879 -0.240 1.00 0.00 C ATOM 886 O ARG A 57 21.811 7.368 -0.079 1.00 0.00 O ATOM 887 CB ARG A 57 20.087 9.192 -2.279 1.00 0.00 C ATOM 888 CG ARG A 57 19.193 9.317 -3.501 1.00 0.00 C ATOM 889 CD ARG A 57 19.360 10.668 -4.178 1.00 0.00 C ATOM 890 NE ARG A 57 19.324 11.769 -3.219 1.00 0.00 N ATOM 891 CZ ARG A 57 19.654 13.020 -3.523 1.00 0.00 C ATOM 892 NH1 ARG A 57 20.042 13.326 -4.753 1.00 0.00 N ATOM 893 NH2 ARG A 57 19.596 13.967 -2.595 1.00 0.00 N ATOM 0 H ARG A 57 17.936 8.100 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 57 20.518 7.087 -2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 57 19.813 9.963 -1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 57 21.119 9.383 -2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 57 19.429 8.523 -4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.152 9.182 -3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 57 20.307 10.688 -4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 57 18.569 10.804 -4.916 1.00 0.00 H new ATOM 0 HE ARG A 57 19.029 11.567 -2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 57 20.088 12.601 -5.469 1.00 0.00 H new ATOM 0 HH12 ARG A 57 20.295 14.287 -4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 57 19.298 13.735 -1.648 1.00 0.00 H new ATOM 0 HH22 ARG A 57 19.849 14.927 -2.829 1.00 0.00 H new ATOM 907 N ILE A 58 20.043 8.501 0.731 1.00 0.00 N ATOM 908 CA ILE A 58 20.597 8.622 2.074 1.00 0.00 C ATOM 909 C ILE A 58 20.537 7.290 2.815 1.00 0.00 C ATOM 910 O ILE A 58 21.493 6.896 3.482 1.00 0.00 O ATOM 911 CB ILE A 58 19.850 9.688 2.897 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.915 11.045 2.193 1.00 0.00 C ATOM 913 CG2 ILE A 58 20.438 9.783 4.297 1.00 0.00 C ATOM 914 CD1 ILE A 58 21.325 11.562 2.006 1.00 0.00 C ATOM 0 H ILE A 58 19.125 8.929 0.613 1.00 0.00 H new ATOM 0 HA ILE A 58 21.638 8.926 1.960 1.00 0.00 H new ATOM 0 HB ILE A 58 18.804 9.394 2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.435 10.963 1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.343 11.772 2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.900 10.540 4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.345 8.819 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.491 10.058 4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.295 12.527 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.803 11.677 2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.895 10.855 1.403 1.00 0.00 H new ATOM 926 N SER A 59 19.407 6.600 2.691 1.00 0.00 N ATOM 927 CA SER A 59 19.221 5.313 3.350 1.00 0.00 C ATOM 928 C SER A 59 20.235 4.292 2.844 1.00 0.00 C ATOM 929 O SER A 59 20.737 3.469 3.609 1.00 0.00 O ATOM 930 CB SER A 59 17.800 4.797 3.116 1.00 0.00 C ATOM 931 OG SER A 59 17.499 3.720 3.986 1.00 0.00 O ATOM 0 H SER A 59 18.607 6.911 2.140 1.00 0.00 H new ATOM 0 HA SER A 59 19.377 5.454 4.419 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.086 5.605 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.693 4.473 2.081 1.00 0.00 H new ATOM 0 HG SER A 59 16.585 3.409 3.818 1.00 0.00 H new ATOM 937 N GLN A 60 20.530 4.352 1.549 1.00 0.00 N ATOM 938 CA GLN A 60 21.484 3.433 0.940 1.00 0.00 C ATOM 939 C GLN A 60 22.908 3.752 1.383 1.00 0.00 C ATOM 940 O GLN A 60 23.679 2.855 1.722 1.00 0.00 O ATOM 941 CB GLN A 60 21.385 3.498 -0.585 1.00 0.00 C ATOM 942 CG GLN A 60 22.095 2.354 -1.291 1.00 0.00 C ATOM 943 CD GLN A 60 21.688 0.996 -0.755 1.00 0.00 C ATOM 944 OE1 GLN A 60 20.586 0.516 -1.020 1.00 0.00 O ATOM 945 NE2 GLN A 60 22.579 0.368 0.004 1.00 0.00 N ATOM 0 H GLN A 60 20.122 5.027 0.902 1.00 0.00 H new ATOM 0 HA GLN A 60 21.238 2.424 1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.334 3.495 -0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.806 4.443 -0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.877 2.399 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.172 2.476 -1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.481 0.803 0.198 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.361 -0.550 0.393 1.00 0.00 H new ATOM 954 N ALA A 61 23.250 5.036 1.378 1.00 0.00 N ATOM 955 CA ALA A 61 24.581 5.474 1.781 1.00 0.00 C ATOM 956 C ALA A 61 24.816 5.219 3.265 1.00 0.00 C ATOM 957 O ALA A 61 25.867 4.713 3.660 1.00 0.00 O ATOM 958 CB ALA A 61 24.771 6.949 1.460 1.00 0.00 C ATOM 0 H ALA A 61 22.624 5.791 1.099 1.00 0.00 H new ATOM 0 HA ALA A 61 25.313 4.894 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.769 7.262 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.654 7.106 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 61 24.026 7.537 1.996 1.00 0.00 H new ATOM 964 N LYS A 62 23.832 5.573 4.085 1.00 0.00 N ATOM 965 CA LYS A 62 23.932 5.382 5.527 1.00 0.00 C ATOM 966 C LYS A 62 23.931 3.899 5.881 1.00 0.00 C ATOM 967 O LYS A 62 24.569 3.480 6.849 1.00 0.00 O ATOM 968 CB LYS A 62 22.773 6.087 6.237 1.00 0.00 C ATOM 969 CG LYS A 62 21.447 5.357 6.109 1.00 0.00 C ATOM 970 CD LYS A 62 20.310 6.155 6.725 1.00 0.00 C ATOM 971 CE LYS A 62 20.537 6.396 8.209 1.00 0.00 C ATOM 972 NZ LYS A 62 19.312 6.122 9.009 1.00 0.00 N ATOM 0 H LYS A 62 22.956 5.994 3.775 1.00 0.00 H new ATOM 0 HA LYS A 62 24.874 5.817 5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 62 23.018 6.196 7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.666 7.092 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 62 21.233 5.170 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.517 4.385 6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.215 7.111 6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.370 5.621 6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.350 5.760 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.850 7.428 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.508 6.298 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.543 6.746 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.028 5.130 8.880 1.00 0.00 H new ATOM 986 N LEU A 63 23.212 3.107 5.092 1.00 0.00 N ATOM 987 CA LEU A 63 23.130 1.669 5.322 1.00 0.00 C ATOM 988 C LEU A 63 24.495 1.011 5.147 1.00 0.00 C ATOM 989 O LEU A 63 24.962 0.283 6.024 1.00 0.00 O ATOM 990 CB LEU A 63 22.120 1.037 4.363 1.00 0.00 C ATOM 991 CG LEU A 63 22.037 -0.490 4.386 1.00 0.00 C ATOM 992 CD1 LEU A 63 20.615 -0.951 4.106 1.00 0.00 C ATOM 993 CD2 LEU A 63 23.004 -1.092 3.377 1.00 0.00 C ATOM 0 H LEU A 63 22.678 3.437 4.288 1.00 0.00 H new ATOM 0 HA LEU A 63 22.798 1.508 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.132 1.438 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.366 1.352 3.349 1.00 0.00 H new ATOM 0 HG LEU A 63 22.320 -0.836 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 63 20.575 -2.040 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.946 -0.549 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 63 20.304 -0.595 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 63 22.931 -2.179 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 63 22.753 -0.739 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 63 24.022 -0.789 3.623 1.00 0.00 H new ATOM 1005 N LEU A 64 25.130 1.272 4.010 1.00 0.00 N ATOM 1006 CA LEU A 64 26.444 0.707 3.720 1.00 0.00 C ATOM 1007 C LEU A 64 27.521 1.365 4.577 1.00 0.00 C ATOM 1008 O LEU A 64 28.456 0.705 5.033 1.00 0.00 O ATOM 1009 CB LEU A 64 26.779 0.879 2.238 1.00 0.00 C ATOM 1010 CG LEU A 64 27.221 2.278 1.808 1.00 0.00 C ATOM 1011 CD1 LEU A 64 28.730 2.423 1.933 1.00 0.00 C ATOM 1012 CD2 LEU A 64 26.772 2.564 0.382 1.00 0.00 C ATOM 0 H LEU A 64 24.757 1.871 3.274 1.00 0.00 H new ATOM 0 HA LEU A 64 26.416 -0.356 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 64 27.570 0.175 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 64 25.902 0.601 1.653 1.00 0.00 H new ATOM 0 HG LEU A 64 26.751 3.006 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 64 29.026 3.425 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 64 29.026 2.262 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 64 29.220 1.686 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 64 27.095 3.564 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 64 27.214 1.830 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 64 25.685 2.503 0.323 1.00 0.00 H new ATOM 1024 N LEU A 65 27.382 2.668 4.794 1.00 0.00 N ATOM 1025 CA LEU A 65 28.342 3.416 5.598 1.00 0.00 C ATOM 1026 C LEU A 65 28.402 2.871 7.021 1.00 0.00 C ATOM 1027 O LEU A 65 29.436 2.952 7.685 1.00 0.00 O ATOM 1028 CB LEU A 65 27.970 4.900 5.624 1.00 0.00 C ATOM 1029 CG LEU A 65 28.952 5.826 6.342 1.00 0.00 C ATOM 1030 CD1 LEU A 65 29.331 6.997 5.449 1.00 0.00 C ATOM 1031 CD2 LEU A 65 28.356 6.322 7.651 1.00 0.00 C ATOM 0 H LEU A 65 26.614 3.228 4.425 1.00 0.00 H new ATOM 0 HA LEU A 65 29.326 3.302 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 65 27.862 5.245 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 65 26.994 5.001 6.098 1.00 0.00 H new ATOM 0 HG LEU A 65 29.856 5.261 6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 65 30.030 7.645 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 65 29.799 6.623 4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 65 28.436 7.563 5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 65 29.068 6.980 8.149 1.00 0.00 H new ATOM 0 HD22 LEU A 65 27.436 6.871 7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 65 28.136 5.471 8.296 1.00 0.00 H new ATOM 1043 N SER A 66 27.288 2.313 7.483 1.00 0.00 N ATOM 1044 CA SER A 66 27.213 1.755 8.828 1.00 0.00 C ATOM 1045 C SER A 66 27.948 0.420 8.905 1.00 0.00 C ATOM 1046 O SER A 66 28.424 0.019 9.967 1.00 0.00 O ATOM 1047 CB SER A 66 25.753 1.571 9.247 1.00 0.00 C ATOM 1048 OG SER A 66 25.635 0.601 10.273 1.00 0.00 O ATOM 0 H SER A 66 26.425 2.235 6.946 1.00 0.00 H new ATOM 0 HA SER A 66 27.694 2.455 9.511 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.348 2.522 9.593 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.160 1.267 8.385 1.00 0.00 H new ATOM 0 HG SER A 66 24.693 0.503 10.524 1.00 0.00 H new ATOM 1054 N THR A 67 28.037 -0.265 7.769 1.00 0.00 N ATOM 1055 CA THR A 67 28.713 -1.555 7.705 1.00 0.00 C ATOM 1056 C THR A 67 30.053 -1.439 6.989 1.00 0.00 C ATOM 1057 O THR A 67 30.716 -2.442 6.722 1.00 0.00 O ATOM 1058 CB THR A 67 27.848 -2.607 6.985 1.00 0.00 C ATOM 1059 OG1 THR A 67 28.539 -3.860 6.939 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.512 -2.155 5.572 1.00 0.00 C ATOM 0 H THR A 67 27.649 0.052 6.881 1.00 0.00 H new ATOM 0 HA THR A 67 28.881 -1.875 8.733 1.00 0.00 H new ATOM 0 HB THR A 67 26.919 -2.725 7.542 1.00 0.00 H new ATOM 0 HG1 THR A 67 29.502 -3.700 6.848 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.901 -2.914 5.083 1.00 0.00 H new ATOM 0 HG22 THR A 67 26.961 -1.215 5.612 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.433 -2.012 5.007 1.00 0.00 H new ATOM 1068 N THR A 68 30.450 -0.208 6.680 1.00 0.00 N ATOM 1069 CA THR A 68 31.712 0.040 5.994 1.00 0.00 C ATOM 1070 C THR A 68 32.491 1.165 6.665 1.00 0.00 C ATOM 1071 O THR A 68 31.905 2.063 7.271 1.00 0.00 O ATOM 1072 CB THR A 68 31.485 0.399 4.514 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.793 1.648 4.413 1.00 0.00 O ATOM 1074 CG2 THR A 68 30.686 -0.687 3.809 1.00 0.00 C ATOM 0 H THR A 68 29.915 0.633 6.894 1.00 0.00 H new ATOM 0 HA THR A 68 32.290 -0.882 6.052 1.00 0.00 H new ATOM 0 HB THR A 68 32.459 0.483 4.031 1.00 0.00 H new ATOM 0 HG1 THR A 68 29.880 1.545 4.754 1.00 0.00 H new ATOM 0 HG21 THR A 68 30.539 -0.411 2.765 1.00 0.00 H new ATOM 0 HG22 THR A 68 31.229 -1.630 3.861 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.717 -0.799 4.295 1.00 0.00 H new ATOM 1082 N ARG A 69 33.814 1.111 6.553 1.00 0.00 N ATOM 1083 CA ARG A 69 34.673 2.127 7.149 1.00 0.00 C ATOM 1084 C ARG A 69 35.316 2.996 6.072 1.00 0.00 C ATOM 1085 O ARG A 69 36.312 3.675 6.322 1.00 0.00 O ATOM 1086 CB ARG A 69 35.759 1.469 8.004 1.00 0.00 C ATOM 1087 CG ARG A 69 36.442 2.428 8.965 1.00 0.00 C ATOM 1088 CD ARG A 69 37.195 1.681 10.055 1.00 0.00 C ATOM 1089 NE ARG A 69 37.876 2.592 10.971 1.00 0.00 N ATOM 1090 CZ ARG A 69 39.004 3.227 10.673 1.00 0.00 C ATOM 1091 NH1 ARG A 69 39.574 3.051 9.489 1.00 0.00 N ATOM 1092 NH2 ARG A 69 39.564 4.040 11.560 1.00 0.00 N ATOM 0 H ARG A 69 34.314 0.375 6.055 1.00 0.00 H new ATOM 0 HA ARG A 69 34.055 2.763 7.783 1.00 0.00 H new ATOM 0 HB2 ARG A 69 35.316 0.652 8.573 1.00 0.00 H new ATOM 0 HB3 ARG A 69 36.510 1.030 7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 69 37.134 3.065 8.414 1.00 0.00 H new ATOM 0 HG3 ARG A 69 35.698 3.082 9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 69 36.498 1.057 10.615 1.00 0.00 H new ATOM 0 HD3 ARG A 69 37.925 1.013 9.599 1.00 0.00 H new ATOM 0 HE ARG A 69 37.463 2.749 11.890 1.00 0.00 H new ATOM 0 HH11 ARG A 69 39.146 2.427 8.805 1.00 0.00 H new ATOM 0 HH12 ARG A 69 40.440 3.540 9.262 1.00 0.00 H new ATOM 0 HH21 ARG A 69 39.128 4.178 12.472 1.00 0.00 H new ATOM 0 HH22 ARG A 69 40.430 4.527 11.330 1.00 0.00 H new ATOM 1106 N MET A 70 34.739 2.969 4.875 1.00 0.00 N ATOM 1107 CA MET A 70 35.256 3.756 3.761 1.00 0.00 C ATOM 1108 C MET A 70 35.054 5.247 4.009 1.00 0.00 C ATOM 1109 O MET A 70 34.206 5.660 4.799 1.00 0.00 O ATOM 1110 CB MET A 70 34.568 3.345 2.458 1.00 0.00 C ATOM 1111 CG MET A 70 35.147 2.085 1.836 1.00 0.00 C ATOM 1112 SD MET A 70 34.607 1.840 0.133 1.00 0.00 S ATOM 1113 CE MET A 70 32.854 2.173 0.282 1.00 0.00 C ATOM 0 H MET A 70 33.914 2.412 4.652 1.00 0.00 H new ATOM 0 HA MET A 70 36.325 3.562 3.676 1.00 0.00 H new ATOM 0 HB2 MET A 70 33.506 3.190 2.650 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.646 4.163 1.742 1.00 0.00 H new ATOM 0 HG2 MET A 70 36.235 2.138 1.864 1.00 0.00 H new ATOM 0 HG3 MET A 70 34.854 1.222 2.434 1.00 0.00 H new ATOM 0 HE1 MET A 70 32.331 1.763 -0.582 1.00 0.00 H new ATOM 0 HE2 MET A 70 32.471 1.709 1.191 1.00 0.00 H new ATOM 0 HE3 MET A 70 32.691 3.250 0.328 1.00 0.00 H new ATOM 1123 N PRO A 71 35.851 6.076 3.318 1.00 0.00 N ATOM 1124 CA PRO A 71 35.779 7.534 3.447 1.00 0.00 C ATOM 1125 C PRO A 71 34.499 8.106 2.845 1.00 0.00 C ATOM 1126 O PRO A 71 33.918 7.522 1.930 1.00 0.00 O ATOM 1127 CB PRO A 71 37.001 8.021 2.665 1.00 0.00 C ATOM 1128 CG PRO A 71 37.278 6.936 1.681 1.00 0.00 C ATOM 1129 CD PRO A 71 36.885 5.653 2.359 1.00 0.00 C ATOM 0 HA PRO A 71 35.770 7.851 4.490 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.799 8.968 2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.853 8.185 3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.706 7.084 0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 71 38.331 6.923 1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 71 36.498 4.924 1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.733 5.188 2.862 1.00 0.00 H new ATOM 1137 N ILE A 72 34.067 9.250 3.364 1.00 0.00 N ATOM 1138 CA ILE A 72 32.857 9.901 2.876 1.00 0.00 C ATOM 1139 C ILE A 72 32.938 10.157 1.375 1.00 0.00 C ATOM 1140 O ILE A 72 31.924 10.151 0.679 1.00 0.00 O ATOM 1141 CB ILE A 72 32.605 11.236 3.601 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.614 11.029 5.117 1.00 0.00 C ATOM 1143 CG2 ILE A 72 31.283 11.841 3.152 1.00 0.00 C ATOM 1144 CD1 ILE A 72 31.597 10.016 5.594 1.00 0.00 C ATOM 0 H ILE A 72 34.536 9.745 4.122 1.00 0.00 H new ATOM 0 HA ILE A 72 32.028 9.223 3.082 1.00 0.00 H new ATOM 0 HB ILE A 72 33.406 11.929 3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 72 33.608 10.707 5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 72 32.422 11.983 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 72 31.119 12.784 3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 72 31.311 12.020 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.470 11.152 3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 72 31.660 9.920 6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 72 30.596 10.347 5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.801 9.050 5.132 1.00 0.00 H new ATOM 1156 N ALA A 73 34.152 10.380 0.883 1.00 0.00 N ATOM 1157 CA ALA A 73 34.366 10.635 -0.536 1.00 0.00 C ATOM 1158 C ALA A 73 34.048 9.398 -1.370 1.00 0.00 C ATOM 1159 O ALA A 73 33.351 9.481 -2.381 1.00 0.00 O ATOM 1160 CB ALA A 73 35.799 11.084 -0.781 1.00 0.00 C ATOM 0 H ALA A 73 35.002 10.389 1.446 1.00 0.00 H new ATOM 0 HA ALA A 73 33.689 11.432 -0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.945 11.271 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.994 11.999 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 73 36.486 10.304 -0.452 1.00 0.00 H new ATOM 1166 N THR A 74 34.564 8.251 -0.939 1.00 0.00 N ATOM 1167 CA THR A 74 34.337 6.997 -1.647 1.00 0.00 C ATOM 1168 C THR A 74 32.893 6.533 -1.493 1.00 0.00 C ATOM 1169 O THR A 74 32.269 6.083 -2.453 1.00 0.00 O ATOM 1170 CB THR A 74 35.278 5.888 -1.141 1.00 0.00 C ATOM 1171 OG1 THR A 74 36.642 6.267 -1.356 1.00 0.00 O ATOM 1172 CG2 THR A 74 34.994 4.572 -1.850 1.00 0.00 C ATOM 0 H THR A 74 35.142 8.165 -0.103 1.00 0.00 H new ATOM 0 HA THR A 74 34.545 7.186 -2.700 1.00 0.00 H new ATOM 0 HB THR A 74 35.103 5.752 -0.074 1.00 0.00 H new ATOM 0 HG1 THR A 74 37.224 5.742 -0.768 1.00 0.00 H new ATOM 0 HG21 THR A 74 35.671 3.804 -1.476 1.00 0.00 H new ATOM 0 HG22 THR A 74 33.964 4.271 -1.660 1.00 0.00 H new ATOM 0 HG23 THR A 74 35.144 4.697 -2.922 1.00 0.00 H new ATOM 1180 N VAL A 75 32.367 6.646 -0.277 1.00 0.00 N ATOM 1181 CA VAL A 75 30.995 6.239 0.003 1.00 0.00 C ATOM 1182 C VAL A 75 30.011 6.958 -0.913 1.00 0.00 C ATOM 1183 O VAL A 75 29.048 6.364 -1.396 1.00 0.00 O ATOM 1184 CB VAL A 75 30.614 6.520 1.469 1.00 0.00 C ATOM 1185 CG1 VAL A 75 29.173 6.111 1.734 1.00 0.00 C ATOM 1186 CG2 VAL A 75 31.564 5.798 2.413 1.00 0.00 C ATOM 0 H VAL A 75 32.870 7.016 0.529 1.00 0.00 H new ATOM 0 HA VAL A 75 30.940 5.166 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 75 30.701 7.591 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.922 6.317 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 75 28.508 6.677 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 75 29.055 5.046 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 75 31.281 6.007 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 75 31.510 4.724 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 75 32.583 6.144 2.239 1.00 0.00 H new ATOM 1196 N GLY A 76 30.260 8.243 -1.148 1.00 0.00 N ATOM 1197 CA GLY A 76 29.387 9.023 -2.006 1.00 0.00 C ATOM 1198 C GLY A 76 29.263 8.433 -3.397 1.00 0.00 C ATOM 1199 O GLY A 76 28.180 8.428 -3.982 1.00 0.00 O ATOM 0 H GLY A 76 31.050 8.758 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 76 28.398 9.086 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.770 10.041 -2.079 1.00 0.00 H new ATOM 1203 N ARG A 77 30.376 7.936 -3.929 1.00 0.00 N ATOM 1204 CA ARG A 77 30.387 7.344 -5.261 1.00 0.00 C ATOM 1205 C ARG A 77 29.374 6.208 -5.360 1.00 0.00 C ATOM 1206 O ARG A 77 28.786 5.978 -6.416 1.00 0.00 O ATOM 1207 CB ARG A 77 31.786 6.825 -5.599 1.00 0.00 C ATOM 1208 CG ARG A 77 32.782 7.926 -5.926 1.00 0.00 C ATOM 1209 CD ARG A 77 34.057 7.362 -6.532 1.00 0.00 C ATOM 1210 NE ARG A 77 33.796 6.614 -7.758 1.00 0.00 N ATOM 1211 CZ ARG A 77 34.749 6.057 -8.497 1.00 0.00 C ATOM 1212 NH1 ARG A 77 36.020 6.164 -8.135 1.00 0.00 N ATOM 1213 NH2 ARG A 77 34.432 5.391 -9.600 1.00 0.00 N ATOM 0 H ARG A 77 31.281 7.932 -3.458 1.00 0.00 H new ATOM 0 HA ARG A 77 30.110 8.117 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 77 32.162 6.245 -4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 77 31.717 6.145 -6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 77 32.329 8.633 -6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 77 33.023 8.481 -5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 77 34.748 8.177 -6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 77 34.546 6.711 -5.807 1.00 0.00 H new ATOM 0 HE ARG A 77 32.828 6.513 -8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 77 36.268 6.675 -7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 77 36.750 5.735 -8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 77 33.455 5.306 -9.882 1.00 0.00 H new ATOM 0 HH22 ARG A 77 35.165 4.964 -10.166 1.00 0.00 H new ATOM 1227 N ASN A 78 29.175 5.501 -4.252 1.00 0.00 N ATOM 1228 CA ASN A 78 28.234 4.388 -4.215 1.00 0.00 C ATOM 1229 C ASN A 78 26.802 4.879 -4.404 1.00 0.00 C ATOM 1230 O ASN A 78 25.920 4.118 -4.799 1.00 0.00 O ATOM 1231 CB ASN A 78 28.355 3.634 -2.888 1.00 0.00 C ATOM 1232 CG ASN A 78 29.091 2.317 -3.037 1.00 0.00 C ATOM 1233 OD1 ASN A 78 28.489 1.287 -3.339 1.00 0.00 O ATOM 1234 ND2 ASN A 78 30.402 2.344 -2.824 1.00 0.00 N ATOM 0 H ASN A 78 29.653 5.679 -3.369 1.00 0.00 H new ATOM 0 HA ASN A 78 28.478 3.711 -5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 78 28.878 4.259 -2.164 1.00 0.00 H new ATOM 0 HB3 ASN A 78 27.359 3.447 -2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 78 30.950 1.488 -2.909 1.00 0.00 H new ATOM 0 HD22 ASN A 78 30.860 3.221 -2.576 1.00 0.00 H new ATOM 1241 N VAL A 79 26.579 6.159 -4.119 1.00 0.00 N ATOM 1242 CA VAL A 79 25.256 6.754 -4.259 1.00 0.00 C ATOM 1243 C VAL A 79 25.230 7.778 -5.388 1.00 0.00 C ATOM 1244 O VAL A 79 24.295 8.569 -5.501 1.00 0.00 O ATOM 1245 CB VAL A 79 24.805 7.434 -2.953 1.00 0.00 C ATOM 1246 CG1 VAL A 79 24.290 6.401 -1.962 1.00 0.00 C ATOM 1247 CG2 VAL A 79 25.947 8.239 -2.351 1.00 0.00 C ATOM 0 H VAL A 79 27.298 6.803 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 79 24.568 5.942 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 79 23.989 8.119 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.976 6.901 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 79 23.441 5.872 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 79 25.083 5.689 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 79 25.611 8.713 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 79 26.785 7.576 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 79 26.264 9.005 -3.058 1.00 0.00 H new ATOM 1257 N GLY A 80 26.265 7.756 -6.223 1.00 0.00 N ATOM 1258 CA GLY A 80 26.341 8.688 -7.333 1.00 0.00 C ATOM 1259 C GLY A 80 26.810 10.064 -6.904 1.00 0.00 C ATOM 1260 O GLY A 80 26.928 10.972 -7.727 1.00 0.00 O ATOM 0 H GLY A 80 27.051 7.110 -6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 80 27.022 8.294 -8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 80 25.360 8.771 -7.801 1.00 0.00 H new ATOM 1264 N PHE A 81 27.076 10.220 -5.611 1.00 0.00 N ATOM 1265 CA PHE A 81 27.531 11.497 -5.074 1.00 0.00 C ATOM 1266 C PHE A 81 29.048 11.624 -5.185 1.00 0.00 C ATOM 1267 O PHE A 81 29.793 10.852 -4.582 1.00 0.00 O ATOM 1268 CB PHE A 81 27.103 11.641 -3.612 1.00 0.00 C ATOM 1269 CG PHE A 81 25.613 11.649 -3.422 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.773 12.060 -4.445 1.00 0.00 C ATOM 1271 CD2 PHE A 81 25.052 11.246 -2.221 1.00 0.00 C ATOM 1272 CE1 PHE A 81 23.402 12.069 -4.273 1.00 0.00 C ATOM 1273 CE2 PHE A 81 23.681 11.253 -2.043 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.855 11.664 -3.071 1.00 0.00 C ATOM 0 H PHE A 81 26.984 9.479 -4.916 1.00 0.00 H new ATOM 0 HA PHE A 81 27.073 12.293 -5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 81 27.531 10.822 -3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.518 12.565 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 81 25.195 12.377 -5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 81 25.693 10.923 -1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.759 12.392 -5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 81 23.256 10.938 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.784 11.669 -2.935 1.00 0.00 H new ATOM 1284 N ASP A 82 29.497 12.604 -5.962 1.00 0.00 N ATOM 1285 CA ASP A 82 30.925 12.834 -6.154 1.00 0.00 C ATOM 1286 C ASP A 82 31.454 13.841 -5.138 1.00 0.00 C ATOM 1287 O ASP A 82 32.611 13.772 -4.725 1.00 0.00 O ATOM 1288 CB ASP A 82 31.197 13.332 -7.574 1.00 0.00 C ATOM 1289 CG ASP A 82 31.141 12.217 -8.599 1.00 0.00 C ATOM 1290 OD1 ASP A 82 30.840 11.069 -8.211 1.00 0.00 O ATOM 1291 OD2 ASP A 82 31.398 12.492 -9.790 1.00 0.00 O ATOM 0 H ASP A 82 28.893 13.252 -6.469 1.00 0.00 H new ATOM 0 HA ASP A 82 31.444 11.887 -6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 82 30.466 14.097 -7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 82 32.179 13.804 -7.608 1.00 0.00 H new ATOM 1296 N ASP A 83 30.599 14.777 -4.740 1.00 0.00 N ATOM 1297 CA ASP A 83 30.980 15.800 -3.772 1.00 0.00 C ATOM 1298 C ASP A 83 30.701 15.330 -2.348 1.00 0.00 C ATOM 1299 O ASP A 83 29.555 15.061 -1.987 1.00 0.00 O ATOM 1300 CB ASP A 83 30.227 17.102 -4.051 1.00 0.00 C ATOM 1301 CG ASP A 83 30.798 17.859 -5.234 1.00 0.00 C ATOM 1302 OD1 ASP A 83 32.014 18.141 -5.226 1.00 0.00 O ATOM 1303 OD2 ASP A 83 30.028 18.170 -6.167 1.00 0.00 O ATOM 0 H ASP A 83 29.637 14.849 -5.073 1.00 0.00 H new ATOM 0 HA ASP A 83 32.050 15.981 -3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 83 29.177 16.878 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 83 30.264 17.736 -3.165 1.00 0.00 H new ATOM 1308 N GLN A 84 31.755 15.234 -1.544 1.00 0.00 N ATOM 1309 CA GLN A 84 31.622 14.796 -0.160 1.00 0.00 C ATOM 1310 C GLN A 84 30.764 15.770 0.640 1.00 0.00 C ATOM 1311 O GLN A 84 29.992 15.364 1.509 1.00 0.00 O ATOM 1312 CB GLN A 84 33.001 14.661 0.489 1.00 0.00 C ATOM 1313 CG GLN A 84 33.833 15.931 0.418 1.00 0.00 C ATOM 1314 CD GLN A 84 35.170 15.793 1.120 1.00 0.00 C ATOM 1315 OE1 GLN A 84 36.222 16.040 0.531 1.00 0.00 O ATOM 1316 NE2 GLN A 84 35.135 15.397 2.387 1.00 0.00 N ATOM 0 H GLN A 84 32.710 15.454 -1.827 1.00 0.00 H new ATOM 0 HA GLN A 84 31.131 13.823 -0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 84 32.876 14.377 1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.545 13.852 0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 84 34.001 16.193 -0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 84 33.274 16.752 0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 84 34.240 15.203 2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 84 36.003 15.287 2.911 1.00 0.00 H new ATOM 1325 N LEU A 85 30.903 17.057 0.341 1.00 0.00 N ATOM 1326 CA LEU A 85 30.140 18.090 1.032 1.00 0.00 C ATOM 1327 C LEU A 85 28.658 17.996 0.686 1.00 0.00 C ATOM 1328 O LEU A 85 27.796 18.289 1.515 1.00 0.00 O ATOM 1329 CB LEU A 85 30.674 19.476 0.667 1.00 0.00 C ATOM 1330 CG LEU A 85 32.097 19.791 1.130 1.00 0.00 C ATOM 1331 CD1 LEU A 85 32.669 20.959 0.341 1.00 0.00 C ATOM 1332 CD2 LEU A 85 32.118 20.091 2.622 1.00 0.00 C ATOM 0 H LEU A 85 31.537 17.410 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 85 30.254 17.934 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.634 19.585 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.002 20.224 1.088 1.00 0.00 H new ATOM 0 HG LEU A 85 32.720 18.916 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.682 21.169 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 85 32.690 20.706 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 85 32.045 21.840 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 85 33.138 20.313 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 85 31.480 20.950 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 85 31.750 19.225 3.172 1.00 0.00 H new ATOM 1344 N TYR A 86 28.368 17.583 -0.543 1.00 0.00 N ATOM 1345 CA TYR A 86 26.989 17.450 -0.999 1.00 0.00 C ATOM 1346 C TYR A 86 26.250 16.383 -0.197 1.00 0.00 C ATOM 1347 O TYR A 86 25.140 16.610 0.285 1.00 0.00 O ATOM 1348 CB TYR A 86 26.954 17.100 -2.488 1.00 0.00 C ATOM 1349 CG TYR A 86 25.556 17.024 -3.059 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.766 15.898 -2.867 1.00 0.00 C ATOM 1351 CD2 TYR A 86 25.026 18.080 -3.790 1.00 0.00 C ATOM 1352 CE1 TYR A 86 23.489 15.824 -3.388 1.00 0.00 C ATOM 1353 CE2 TYR A 86 23.749 18.016 -4.314 1.00 0.00 C ATOM 1354 CZ TYR A 86 22.985 16.886 -4.110 1.00 0.00 C ATOM 1355 OH TYR A 86 21.712 16.817 -4.630 1.00 0.00 O ATOM 0 H TYR A 86 29.069 17.335 -1.241 1.00 0.00 H new ATOM 0 HA TYR A 86 26.488 18.406 -0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.524 17.846 -3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.452 16.142 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 86 25.157 15.066 -2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 86 25.622 18.966 -3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.889 14.940 -3.231 1.00 0.00 H new ATOM 0 HE2 TYR A 86 23.352 18.846 -4.880 1.00 0.00 H new ATOM 0 HH TYR A 86 21.509 17.647 -5.110 1.00 0.00 H new ATOM 1365 N PHE A 87 26.875 15.219 -0.057 1.00 0.00 N ATOM 1366 CA PHE A 87 26.278 14.115 0.686 1.00 0.00 C ATOM 1367 C PHE A 87 26.166 14.456 2.169 1.00 0.00 C ATOM 1368 O PHE A 87 25.142 14.198 2.801 1.00 0.00 O ATOM 1369 CB PHE A 87 27.108 12.842 0.505 1.00 0.00 C ATOM 1370 CG PHE A 87 26.716 11.733 1.439 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.401 11.300 1.507 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.661 11.124 2.248 1.00 0.00 C ATOM 1373 CE1 PHE A 87 25.038 10.280 2.366 1.00 0.00 C ATOM 1374 CE2 PHE A 87 27.303 10.103 3.108 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.990 9.680 3.167 1.00 0.00 C ATOM 0 H PHE A 87 27.795 15.015 -0.448 1.00 0.00 H new ATOM 0 HA PHE A 87 25.276 13.945 0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 87 27.005 12.494 -0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 87 28.161 13.080 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.652 11.764 0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.690 11.451 2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 87 24.010 9.952 2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 87 28.050 9.636 3.733 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.708 8.882 3.838 1.00 0.00 H new ATOM 1385 N SER A 88 27.228 15.037 2.719 1.00 0.00 N ATOM 1386 CA SER A 88 27.252 15.410 4.128 1.00 0.00 C ATOM 1387 C SER A 88 26.228 16.503 4.419 1.00 0.00 C ATOM 1388 O SER A 88 25.577 16.497 5.463 1.00 0.00 O ATOM 1389 CB SER A 88 28.650 15.885 4.528 1.00 0.00 C ATOM 1390 OG SER A 88 28.930 17.163 3.984 1.00 0.00 O ATOM 0 H SER A 88 28.083 15.259 2.210 1.00 0.00 H new ATOM 0 HA SER A 88 26.993 14.529 4.716 1.00 0.00 H new ATOM 0 HB2 SER A 88 28.727 15.924 5.615 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.394 15.168 4.181 1.00 0.00 H new ATOM 0 HG SER A 88 28.537 17.231 3.089 1.00 0.00 H new ATOM 1396 N ARG A 89 26.093 17.441 3.487 1.00 0.00 N ATOM 1397 CA ARG A 89 25.151 18.542 3.642 1.00 0.00 C ATOM 1398 C ARG A 89 23.719 18.023 3.737 1.00 0.00 C ATOM 1399 O ARG A 89 22.975 18.386 4.648 1.00 0.00 O ATOM 1400 CB ARG A 89 25.274 19.517 2.469 1.00 0.00 C ATOM 1401 CG ARG A 89 26.343 20.578 2.669 1.00 0.00 C ATOM 1402 CD ARG A 89 26.747 21.219 1.350 1.00 0.00 C ATOM 1403 NE ARG A 89 25.593 21.728 0.614 1.00 0.00 N ATOM 1404 CZ ARG A 89 24.964 22.857 0.923 1.00 0.00 C ATOM 1405 NH1 ARG A 89 25.375 23.589 1.949 1.00 0.00 N ATOM 1406 NH2 ARG A 89 23.921 23.255 0.205 1.00 0.00 N ATOM 0 H ARG A 89 26.624 17.460 2.617 1.00 0.00 H new ATOM 0 HA ARG A 89 25.392 19.065 4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 89 25.497 18.955 1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 89 24.313 20.007 2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 89 25.973 21.345 3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 89 27.218 20.130 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 89 27.444 22.035 1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 89 27.274 20.487 0.738 1.00 0.00 H new ATOM 0 HE ARG A 89 25.251 21.187 -0.181 1.00 0.00 H new ATOM 0 HH11 ARG A 89 26.176 23.286 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 89 24.890 24.455 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 89 23.602 22.694 -0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 89 23.439 24.122 0.443 1.00 0.00 H new ATOM 1420 N VAL A 90 23.339 17.172 2.789 1.00 0.00 N ATOM 1421 CA VAL A 90 21.998 16.602 2.766 1.00 0.00 C ATOM 1422 C VAL A 90 21.804 15.605 3.903 1.00 0.00 C ATOM 1423 O VAL A 90 20.784 15.623 4.592 1.00 0.00 O ATOM 1424 CB VAL A 90 21.710 15.898 1.427 1.00 0.00 C ATOM 1425 CG1 VAL A 90 20.322 15.276 1.437 1.00 0.00 C ATOM 1426 CG2 VAL A 90 21.857 16.874 0.269 1.00 0.00 C ATOM 0 H VAL A 90 23.942 16.862 2.027 1.00 0.00 H new ATOM 0 HA VAL A 90 21.301 17.431 2.890 1.00 0.00 H new ATOM 0 HB VAL A 90 22.439 15.099 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.137 14.783 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.257 14.544 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.576 16.055 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 90 21.650 16.359 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.153 17.697 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 90 22.874 17.266 0.251 1.00 0.00 H new ATOM 1436 N PHE A 91 22.791 14.737 4.096 1.00 0.00 N ATOM 1437 CA PHE A 91 22.730 13.731 5.150 1.00 0.00 C ATOM 1438 C PHE A 91 22.643 14.389 6.524 1.00 0.00 C ATOM 1439 O PHE A 91 21.960 13.893 7.421 1.00 0.00 O ATOM 1440 CB PHE A 91 23.956 12.819 5.086 1.00 0.00 C ATOM 1441 CG PHE A 91 24.030 11.833 6.216 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.623 12.181 7.419 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.506 10.558 6.077 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.693 11.276 8.462 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.572 9.649 7.116 1.00 0.00 C ATOM 1446 CZ PHE A 91 24.167 10.008 8.309 1.00 0.00 C ATOM 0 H PHE A 91 23.643 14.710 3.536 1.00 0.00 H new ATOM 0 HA PHE A 91 21.833 13.132 4.995 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.946 12.276 4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.856 13.433 5.091 1.00 0.00 H new ATOM 0 HD1 PHE A 91 25.036 13.171 7.543 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.040 10.271 5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 91 25.158 11.560 9.394 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.158 8.659 6.995 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.221 9.298 9.121 1.00 0.00 H new ATOM 1456 N LYS A 92 23.340 15.509 6.683 1.00 0.00 N ATOM 1457 CA LYS A 92 23.343 16.236 7.946 1.00 0.00 C ATOM 1458 C LYS A 92 21.926 16.631 8.350 1.00 0.00 C ATOM 1459 O LYS A 92 21.511 16.417 9.489 1.00 0.00 O ATOM 1460 CB LYS A 92 24.220 17.486 7.837 1.00 0.00 C ATOM 1461 CG LYS A 92 24.259 18.315 9.109 1.00 0.00 C ATOM 1462 CD LYS A 92 24.622 19.762 8.820 1.00 0.00 C ATOM 1463 CE LYS A 92 23.382 20.634 8.696 1.00 0.00 C ATOM 1464 NZ LYS A 92 23.728 22.079 8.595 1.00 0.00 N ATOM 0 H LYS A 92 23.911 15.933 5.952 1.00 0.00 H new ATOM 0 HA LYS A 92 23.751 15.578 8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.235 17.186 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.853 18.107 7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 92 23.287 18.274 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 92 24.985 17.888 9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 92 25.259 20.145 9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 92 25.200 19.816 7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.814 20.334 7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 92 22.738 20.474 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 22.856 22.640 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.248 22.372 9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.322 22.236 7.756 1.00 0.00 H new ATOM 1478 N LYS A 93 21.186 17.207 7.408 1.00 0.00 N ATOM 1479 CA LYS A 93 19.814 17.630 7.664 1.00 0.00 C ATOM 1480 C LYS A 93 18.870 16.432 7.680 1.00 0.00 C ATOM 1481 O LYS A 93 17.813 16.471 8.312 1.00 0.00 O ATOM 1482 CB LYS A 93 19.362 18.635 6.602 1.00 0.00 C ATOM 1483 CG LYS A 93 20.297 19.821 6.450 1.00 0.00 C ATOM 1484 CD LYS A 93 20.013 20.596 5.175 1.00 0.00 C ATOM 1485 CE LYS A 93 21.181 21.494 4.795 1.00 0.00 C ATOM 1486 NZ LYS A 93 20.773 22.560 3.838 1.00 0.00 N ATOM 0 H LYS A 93 21.514 17.392 6.460 1.00 0.00 H new ATOM 0 HA LYS A 93 19.784 18.107 8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.278 18.124 5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.367 18.998 6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 93 20.190 20.482 7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.330 19.472 6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.810 19.899 4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.116 21.201 5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.595 21.952 5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.973 20.891 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.597 23.150 3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.402 22.124 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.035 23.151 4.271 1.00 0.00 H new ATOM 1500 N CYS A 94 19.258 15.369 6.984 1.00 0.00 N ATOM 1501 CA CYS A 94 18.446 14.159 6.919 1.00 0.00 C ATOM 1502 C CYS A 94 18.178 13.609 8.316 1.00 0.00 C ATOM 1503 O CYS A 94 17.035 13.319 8.673 1.00 0.00 O ATOM 1504 CB CYS A 94 19.142 13.098 6.065 1.00 0.00 C ATOM 1505 SG CYS A 94 18.009 11.972 5.219 1.00 0.00 S ATOM 0 H CYS A 94 20.130 15.320 6.457 1.00 0.00 H new ATOM 0 HA CYS A 94 17.491 14.416 6.460 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.764 13.596 5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 94 19.809 12.516 6.701 1.00 0.00 H new ATOM 0 HG CYS A 94 17.935 10.854 5.879 1.00 0.00 H new ATOM 1511 N THR A 95 19.239 13.466 9.104 1.00 0.00 N ATOM 1512 CA THR A 95 19.119 12.948 10.461 1.00 0.00 C ATOM 1513 C THR A 95 19.320 14.053 11.492 1.00 0.00 C ATOM 1514 O THR A 95 19.081 13.856 12.682 1.00 0.00 O ATOM 1515 CB THR A 95 20.138 11.824 10.726 1.00 0.00 C ATOM 1516 OG1 THR A 95 21.471 12.328 10.585 1.00 0.00 O ATOM 1517 CG2 THR A 95 19.925 10.663 9.766 1.00 0.00 C ATOM 0 H THR A 95 20.191 13.702 8.825 1.00 0.00 H new ATOM 0 HA THR A 95 18.111 12.545 10.556 1.00 0.00 H new ATOM 0 HB THR A 95 19.992 11.464 11.744 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.113 11.608 10.757 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.656 9.881 9.972 1.00 0.00 H new ATOM 0 HG22 THR A 95 18.920 10.263 9.896 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.046 11.012 8.741 1.00 0.00 H new ATOM 1525 N GLY A 96 19.760 15.218 11.025 1.00 0.00 N ATOM 1526 CA GLY A 96 19.985 16.338 11.920 1.00 0.00 C ATOM 1527 C GLY A 96 21.432 16.447 12.360 1.00 0.00 C ATOM 1528 O GLY A 96 21.821 17.424 13.000 1.00 0.00 O ATOM 0 H GLY A 96 19.964 15.406 10.043 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.689 17.262 11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.348 16.231 12.798 1.00 0.00 H new ATOM 1532 N ALA A 97 22.230 15.442 12.017 1.00 0.00 N ATOM 1533 CA ALA A 97 23.642 15.429 12.380 1.00 0.00 C ATOM 1534 C ALA A 97 24.503 14.943 11.220 1.00 0.00 C ATOM 1535 O ALA A 97 24.070 14.116 10.417 1.00 0.00 O ATOM 1536 CB ALA A 97 23.863 14.557 13.607 1.00 0.00 C ATOM 0 H ALA A 97 21.923 14.626 11.488 1.00 0.00 H new ATOM 0 HA ALA A 97 23.941 16.450 12.615 1.00 0.00 H new ATOM 0 HB1 ALA A 97 24.922 14.556 13.867 1.00 0.00 H new ATOM 0 HB2 ALA A 97 23.284 14.951 14.442 1.00 0.00 H new ATOM 0 HB3 ALA A 97 23.542 13.538 13.392 1.00 0.00 H new ATOM 1542 N SER A 98 25.724 15.461 11.137 1.00 0.00 N ATOM 1543 CA SER A 98 26.645 15.082 10.072 1.00 0.00 C ATOM 1544 C SER A 98 27.029 13.610 10.184 1.00 0.00 C ATOM 1545 O SER A 98 26.856 12.974 11.224 1.00 0.00 O ATOM 1546 CB SER A 98 27.902 15.953 10.121 1.00 0.00 C ATOM 1547 OG SER A 98 28.056 16.554 11.395 1.00 0.00 O ATOM 0 H SER A 98 26.099 16.145 11.795 1.00 0.00 H new ATOM 0 HA SER A 98 26.141 15.237 9.118 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.778 15.346 9.893 1.00 0.00 H new ATOM 0 HB3 SER A 98 27.843 16.726 9.355 1.00 0.00 H new ATOM 0 HG SER A 98 28.867 17.104 11.401 1.00 0.00 H new ATOM 1553 N PRO A 99 27.563 13.053 9.086 1.00 0.00 N ATOM 1554 CA PRO A 99 27.983 11.650 9.034 1.00 0.00 C ATOM 1555 C PRO A 99 29.217 11.382 9.889 1.00 0.00 C ATOM 1556 O PRO A 99 29.375 10.295 10.444 1.00 0.00 O ATOM 1557 CB PRO A 99 28.300 11.429 7.553 1.00 0.00 C ATOM 1558 CG PRO A 99 28.644 12.782 7.034 1.00 0.00 C ATOM 1559 CD PRO A 99 27.798 13.752 7.811 1.00 0.00 C ATOM 0 HA PRO A 99 27.216 10.981 9.424 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.129 10.733 7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.445 11.007 7.024 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.705 12.994 7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.439 12.854 5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.311 14.702 7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 99 26.863 13.973 7.295 1.00 0.00 H new ATOM 1567 N SER A 100 30.088 12.381 9.992 1.00 0.00 N ATOM 1568 CA SER A 100 31.310 12.251 10.777 1.00 0.00 C ATOM 1569 C SER A 100 30.990 12.138 12.264 1.00 0.00 C ATOM 1570 O SER A 100 31.683 11.443 13.007 1.00 0.00 O ATOM 1571 CB SER A 100 32.229 13.450 10.531 1.00 0.00 C ATOM 1572 OG SER A 100 33.550 13.176 10.962 1.00 0.00 O ATOM 0 H SER A 100 29.970 13.289 9.542 1.00 0.00 H new ATOM 0 HA SER A 100 31.820 11.341 10.462 1.00 0.00 H new ATOM 0 HB2 SER A 100 32.233 13.697 9.469 1.00 0.00 H new ATOM 0 HB3 SER A 100 31.844 14.322 11.060 1.00 0.00 H new ATOM 0 HG SER A 100 34.118 13.957 10.793 1.00 0.00 H new ATOM 1578 N GLU A 101 29.936 12.826 12.691 1.00 0.00 N ATOM 1579 CA GLU A 101 29.525 12.804 14.090 1.00 0.00 C ATOM 1580 C GLU A 101 28.849 11.480 14.437 1.00 0.00 C ATOM 1581 O GLU A 101 29.167 10.855 15.448 1.00 0.00 O ATOM 1582 CB GLU A 101 28.575 13.967 14.384 1.00 0.00 C ATOM 1583 CG GLU A 101 28.257 14.134 15.861 1.00 0.00 C ATOM 1584 CD GLU A 101 28.432 15.563 16.337 1.00 0.00 C ATOM 1585 OE1 GLU A 101 29.405 16.216 15.905 1.00 0.00 O ATOM 1586 OE2 GLU A 101 27.597 16.027 17.142 1.00 0.00 O ATOM 0 H GLU A 101 29.351 13.405 12.089 1.00 0.00 H new ATOM 0 HA GLU A 101 30.418 12.909 14.706 1.00 0.00 H new ATOM 0 HB2 GLU A 101 29.017 14.890 14.009 1.00 0.00 H new ATOM 0 HB3 GLU A 101 27.645 13.814 13.836 1.00 0.00 H new ATOM 0 HG2 GLU A 101 27.231 13.816 16.046 1.00 0.00 H new ATOM 0 HG3 GLU A 101 28.904 13.479 16.445 1.00 0.00 H new ATOM 1593 N PHE A 102 27.914 11.061 13.591 1.00 0.00 N ATOM 1594 CA PHE A 102 27.191 9.813 13.808 1.00 0.00 C ATOM 1595 C PHE A 102 28.152 8.629 13.854 1.00 0.00 C ATOM 1596 O PHE A 102 28.064 7.778 14.739 1.00 0.00 O ATOM 1597 CB PHE A 102 26.155 9.600 12.702 1.00 0.00 C ATOM 1598 CG PHE A 102 25.335 8.355 12.881 1.00 0.00 C ATOM 1599 CD1 PHE A 102 25.761 7.147 12.353 1.00 0.00 C ATOM 1600 CD2 PHE A 102 24.137 8.393 13.577 1.00 0.00 C ATOM 1601 CE1 PHE A 102 25.008 5.999 12.516 1.00 0.00 C ATOM 1602 CE2 PHE A 102 23.381 7.248 13.743 1.00 0.00 C ATOM 1603 CZ PHE A 102 23.816 6.050 13.211 1.00 0.00 C ATOM 0 H PHE A 102 27.639 11.567 12.749 1.00 0.00 H new ATOM 0 HA PHE A 102 26.679 9.881 14.768 1.00 0.00 H new ATOM 0 HB2 PHE A 102 25.489 10.462 12.668 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.666 9.554 11.740 1.00 0.00 H new ATOM 0 HD1 PHE A 102 26.692 7.102 11.808 1.00 0.00 H new ATOM 0 HD2 PHE A 102 23.791 9.327 13.994 1.00 0.00 H new ATOM 0 HE1 PHE A 102 25.352 5.063 12.100 1.00 0.00 H new ATOM 0 HE2 PHE A 102 22.450 7.290 14.289 1.00 0.00 H new ATOM 0 HZ PHE A 102 23.225 5.155 13.338 1.00 0.00 H new ATOM 1613 N ARG A 103 29.070 8.581 12.893 1.00 0.00 N ATOM 1614 CA ARG A 103 30.046 7.500 12.822 1.00 0.00 C ATOM 1615 C ARG A 103 31.022 7.572 13.993 1.00 0.00 C ATOM 1616 O ARG A 103 31.527 6.550 14.456 1.00 0.00 O ATOM 1617 CB ARG A 103 30.813 7.564 11.500 1.00 0.00 C ATOM 1618 CG ARG A 103 31.830 8.692 11.440 1.00 0.00 C ATOM 1619 CD ARG A 103 32.569 8.705 10.111 1.00 0.00 C ATOM 1620 NE ARG A 103 33.484 7.574 9.983 1.00 0.00 N ATOM 1621 CZ ARG A 103 34.165 7.301 8.875 1.00 0.00 C ATOM 1622 NH1 ARG A 103 34.034 8.074 7.806 1.00 0.00 N ATOM 1623 NH2 ARG A 103 34.979 6.254 8.836 1.00 0.00 N ATOM 0 H ARG A 103 29.158 9.278 12.153 1.00 0.00 H new ATOM 0 HA ARG A 103 29.508 6.553 12.877 1.00 0.00 H new ATOM 0 HB2 ARG A 103 31.325 6.615 11.341 1.00 0.00 H new ATOM 0 HB3 ARG A 103 30.102 7.683 10.683 1.00 0.00 H new ATOM 0 HG2 ARG A 103 31.325 9.647 11.586 1.00 0.00 H new ATOM 0 HG3 ARG A 103 32.546 8.582 12.255 1.00 0.00 H new ATOM 0 HD2 ARG A 103 31.847 8.682 9.295 1.00 0.00 H new ATOM 0 HD3 ARG A 103 33.128 9.636 10.016 1.00 0.00 H new ATOM 0 HE ARG A 103 33.607 6.960 10.788 1.00 0.00 H new ATOM 0 HH11 ARG A 103 33.410 8.880 7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 103 34.558 7.863 6.957 1.00 0.00 H new ATOM 0 HH21 ARG A 103 35.083 5.658 9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 103 35.501 6.045 7.985 1.00 0.00 H new ATOM 1637 N ALA A 104 31.282 8.786 14.467 1.00 0.00 N ATOM 1638 CA ALA A 104 32.196 8.991 15.584 1.00 0.00 C ATOM 1639 C ALA A 104 31.663 8.340 16.855 1.00 0.00 C ATOM 1640 O ALA A 104 32.432 7.931 17.724 1.00 0.00 O ATOM 1641 CB ALA A 104 32.430 10.478 15.808 1.00 0.00 C ATOM 0 H ALA A 104 30.872 9.643 14.095 1.00 0.00 H new ATOM 0 HA ALA A 104 33.146 8.518 15.336 1.00 0.00 H new ATOM 0 HB1 ALA A 104 33.114 10.617 16.645 1.00 0.00 H new ATOM 0 HB2 ALA A 104 32.862 10.918 14.909 1.00 0.00 H new ATOM 0 HB3 ALA A 104 31.481 10.966 16.030 1.00 0.00 H new ATOM 1647 N GLY A 105 30.340 8.248 16.958 1.00 0.00 N ATOM 1648 CA GLY A 105 29.727 7.646 18.128 1.00 0.00 C ATOM 1649 C GLY A 105 29.385 8.669 19.193 1.00 0.00 C ATOM 1650 O GLY A 105 28.711 8.351 20.174 1.00 0.00 O ATOM 0 H GLY A 105 29.682 8.580 16.252 1.00 0.00 H new ATOM 0 HA2 GLY A 105 28.820 7.120 17.829 1.00 0.00 H new ATOM 0 HA3 GLY A 105 30.404 6.902 18.547 1.00 0.00 H new ATOM 1654 N CYS A 106 29.850 9.898 19.002 1.00 0.00 N ATOM 1655 CA CYS A 106 29.591 10.970 19.957 1.00 0.00 C ATOM 1656 C CYS A 106 28.233 11.615 19.695 1.00 0.00 C ATOM 1657 O CYS A 106 27.862 11.859 18.548 1.00 0.00 O ATOM 1658 CB CYS A 106 30.693 12.027 19.880 1.00 0.00 C ATOM 1659 SG CYS A 106 30.925 12.966 21.408 1.00 0.00 S ATOM 0 H CYS A 106 30.408 10.177 18.195 1.00 0.00 H new ATOM 0 HA CYS A 106 29.581 10.537 20.957 1.00 0.00 H new ATOM 0 HB2 CYS A 106 31.632 11.539 19.620 1.00 0.00 H new ATOM 0 HB3 CYS A 106 30.460 12.721 19.072 1.00 0.00 H new ATOM 0 HG CYS A 106 31.880 13.833 21.244 1.00 0.00 H new