USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 785 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 64 THR OG1 : rot 34:sc= 0.339 USER MOD Set 1.2: A 98 GLN : amide:sc= -0.25 K(o=0.09,f=-0.8) USER MOD Set 2.1: A 45 ASN : amide:sc= 0.0177 K(o=0.035,f=-1.8!) USER MOD Set 2.2: A 47 SER OG : rot 105:sc= 0.0174 USER MOD Single : A 2 ASN : amide:sc= 0.214 K(o=0.21,f=-4.9!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0452 USER MOD Single : A 7 HIS : no HD1:sc= -0.192 X(o=-0.19,f=0.017) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 92:sc=0.000302 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 20:sc= 0.0467 USER MOD Single : A 35 ASN : amide:sc= 0.504 K(o=0.5,f=-4.9!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.33 K(o=-0.33,f=-2.8!) USER MOD Single : A 54 GLN : amide:sc= -0.019 K(o=-0.019,f=-1.7!) USER MOD Single : A 58 HIS :FLIP no HE2:sc= -1.1! C(o=-1.6!,f=-1.1!) USER MOD Single : A 59 GLN : amide:sc= -0.0366 K(o=-0.037,f=-1.6) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 1.04 K(o=1,f=-3.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-4.2!) USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0022) USER MOD Single : A 80 CYS SG : rot -170:sc= -0.336 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc=-0.00162 X(o=-0.0016,f=0) USER MOD Single : A 96 THR OG1 : rot 153:sc= 1.06 USER MOD Single : A 97 GLN : amide:sc= 0.432 X(o=0.43,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 142:sc= 0.347 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 2 6.122 -19.933 -10.895 1.00 1.00 N ATOM 18 CA ASN A 2 5.258 -18.956 -10.309 1.00 1.00 C ATOM 19 C ASN A 2 5.959 -17.989 -9.418 1.00 1.00 C ATOM 20 O ASN A 2 5.812 -16.779 -9.580 1.00 1.00 O ATOM 21 CB ASN A 2 4.052 -19.615 -9.616 1.00 1.00 C ATOM 22 CG ASN A 2 4.378 -20.848 -8.786 1.00 1.00 C ATOM 23 OD1 ASN A 2 5.492 -21.078 -8.320 1.00 1.00 O ATOM 24 ND2 ASN A 2 3.339 -21.709 -8.622 1.00 1.00 N ATOM 0 HA ASN A 2 4.880 -18.356 -11.137 1.00 1.00 H new ATOM 0 HB2 ASN A 2 3.576 -18.877 -8.970 1.00 1.00 H new ATOM 0 HB3 ASN A 2 3.322 -19.891 -10.377 1.00 1.00 H new ATOM 0 HD21 ASN A 2 3.472 -22.575 -8.100 1.00 1.00 H new ATOM 0 HD22 ASN A 2 2.427 -21.489 -9.021 1.00 1.00 H new ATOM 31 N ASP A 3 6.761 -18.472 -8.451 1.00 1.00 N ATOM 32 CA ASP A 3 7.494 -17.719 -7.482 1.00 1.00 C ATOM 33 C ASP A 3 8.406 -16.706 -8.084 1.00 1.00 C ATOM 34 O ASP A 3 8.513 -15.569 -7.626 1.00 1.00 O ATOM 35 CB ASP A 3 8.244 -18.755 -6.630 1.00 1.00 C ATOM 36 CG ASP A 3 8.908 -18.173 -5.391 1.00 1.00 C ATOM 37 OD1 ASP A 3 8.191 -17.631 -4.508 1.00 1.00 O ATOM 38 OD2 ASP A 3 10.155 -18.314 -5.268 1.00 1.00 O ATOM 0 H ASP A 3 6.907 -19.475 -8.340 1.00 1.00 H new ATOM 0 HA ASP A 3 6.817 -17.119 -6.874 1.00 1.00 H new ATOM 0 HB2 ASP A 3 7.545 -19.533 -6.323 1.00 1.00 H new ATOM 0 HB3 ASP A 3 9.005 -19.235 -7.246 1.00 1.00 H new ATOM 43 N SER A 4 9.080 -17.064 -9.191 1.00 1.00 N ATOM 44 CA SER A 4 9.922 -16.219 -9.979 1.00 1.00 C ATOM 45 C SER A 4 9.197 -15.148 -10.721 1.00 1.00 C ATOM 46 O SER A 4 9.674 -14.019 -10.825 1.00 1.00 O ATOM 47 CB SER A 4 10.723 -17.059 -10.988 1.00 1.00 C ATOM 48 OG SER A 4 9.925 -18.056 -11.610 1.00 1.00 O ATOM 0 H SER A 4 9.032 -18.013 -9.561 1.00 1.00 H new ATOM 0 HA SER A 4 10.579 -15.722 -9.265 1.00 1.00 H new ATOM 0 HB2 SER A 4 11.143 -16.404 -11.751 1.00 1.00 H new ATOM 0 HB3 SER A 4 11.562 -17.533 -10.478 1.00 1.00 H new ATOM 0 HG SER A 4 10.472 -18.565 -12.244 1.00 1.00 H new ATOM 54 N GLU A 5 7.998 -15.460 -11.244 1.00 1.00 N ATOM 55 CA GLU A 5 7.144 -14.554 -11.948 1.00 1.00 C ATOM 56 C GLU A 5 6.622 -13.515 -11.018 1.00 1.00 C ATOM 57 O GLU A 5 6.811 -12.318 -11.221 1.00 1.00 O ATOM 58 CB GLU A 5 5.981 -15.312 -12.613 1.00 1.00 C ATOM 59 CG GLU A 5 5.307 -14.592 -13.783 1.00 1.00 C ATOM 60 CD GLU A 5 6.041 -14.706 -15.111 1.00 1.00 C ATOM 61 OE1 GLU A 5 7.102 -15.379 -15.204 1.00 1.00 O ATOM 62 OE2 GLU A 5 5.534 -14.126 -16.109 1.00 1.00 O ATOM 0 H GLU A 5 7.603 -16.397 -11.171 1.00 1.00 H new ATOM 0 HA GLU A 5 7.725 -14.065 -12.730 1.00 1.00 H new ATOM 0 HB2 GLU A 5 6.353 -16.274 -12.967 1.00 1.00 H new ATOM 0 HB3 GLU A 5 5.226 -15.521 -11.855 1.00 1.00 H new ATOM 0 HG2 GLU A 5 4.300 -14.991 -13.905 1.00 1.00 H new ATOM 0 HG3 GLU A 5 5.203 -13.537 -13.531 1.00 1.00 H new ATOM 69 N PHE A 6 6.022 -13.962 -9.900 1.00 1.00 N ATOM 70 CA PHE A 6 5.623 -13.194 -8.761 1.00 1.00 C ATOM 71 C PHE A 6 6.657 -12.251 -8.249 1.00 1.00 C ATOM 72 O PHE A 6 6.386 -11.065 -8.071 1.00 1.00 O ATOM 73 CB PHE A 6 5.210 -14.156 -7.634 1.00 1.00 C ATOM 74 CG PHE A 6 4.391 -13.473 -6.593 1.00 1.00 C ATOM 75 CD1 PHE A 6 3.182 -12.928 -6.954 1.00 1.00 C ATOM 76 CD2 PHE A 6 4.820 -13.354 -5.293 1.00 1.00 C ATOM 77 CE1 PHE A 6 2.412 -12.262 -6.028 1.00 1.00 C ATOM 78 CE2 PHE A 6 4.046 -12.706 -4.359 1.00 1.00 C ATOM 79 CZ PHE A 6 2.838 -12.159 -4.726 1.00 1.00 C ATOM 0 H PHE A 6 5.797 -14.950 -9.785 1.00 1.00 H new ATOM 0 HA PHE A 6 4.793 -12.570 -9.091 1.00 1.00 H new ATOM 0 HB2 PHE A 6 4.643 -14.986 -8.055 1.00 1.00 H new ATOM 0 HB3 PHE A 6 6.102 -14.580 -7.174 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.834 -13.023 -7.972 1.00 1.00 H new ATOM 0 HD2 PHE A 6 5.772 -13.773 -5.003 1.00 1.00 H new ATOM 0 HE1 PHE A 6 1.472 -11.820 -6.325 1.00 1.00 H new ATOM 0 HE2 PHE A 6 4.386 -12.626 -3.337 1.00 1.00 H new ATOM 0 HZ PHE A 6 2.228 -11.651 -3.994 1.00 1.00 H new ATOM 89 N HIS A 7 7.892 -12.729 -8.010 1.00 1.00 N ATOM 90 CA HIS A 7 8.984 -11.924 -7.558 1.00 1.00 C ATOM 91 C HIS A 7 9.422 -10.867 -8.513 1.00 1.00 C ATOM 92 O HIS A 7 9.681 -9.741 -8.087 1.00 1.00 O ATOM 93 CB HIS A 7 10.191 -12.777 -7.133 1.00 1.00 C ATOM 94 CG HIS A 7 10.083 -13.232 -5.706 1.00 1.00 C ATOM 95 ND1 HIS A 7 10.299 -12.345 -4.684 1.00 1.00 N ATOM 96 CD2 HIS A 7 9.817 -14.435 -5.134 1.00 1.00 C ATOM 97 CE1 HIS A 7 10.185 -12.982 -3.532 1.00 1.00 C ATOM 98 NE2 HIS A 7 9.891 -14.246 -3.779 1.00 1.00 N ATOM 0 H HIS A 7 8.138 -13.711 -8.136 1.00 1.00 H new ATOM 0 HA HIS A 7 8.582 -11.403 -6.689 1.00 1.00 H new ATOM 0 HB2 HIS A 7 10.269 -13.646 -7.786 1.00 1.00 H new ATOM 0 HB3 HIS A 7 11.106 -12.199 -7.261 1.00 1.00 H new ATOM 0 HD2 HIS A 7 9.592 -15.359 -5.646 1.00 1.00 H new ATOM 0 HE1 HIS A 7 10.311 -12.543 -2.553 1.00 1.00 H new ATOM 0 HE2 HIS A 7 9.743 -14.967 -3.073 1.00 1.00 H new ATOM 106 N ARG A 8 9.503 -11.131 -9.828 1.00 1.00 N ATOM 107 CA ARG A 8 9.898 -10.127 -10.767 1.00 1.00 C ATOM 108 C ARG A 8 8.882 -9.058 -10.977 1.00 1.00 C ATOM 109 O ARG A 8 9.195 -7.875 -11.106 1.00 1.00 O ATOM 110 CB ARG A 8 10.292 -10.748 -12.119 1.00 1.00 C ATOM 111 CG ARG A 8 11.396 -9.965 -12.832 1.00 1.00 C ATOM 112 CD ARG A 8 12.823 -10.485 -12.641 1.00 1.00 C ATOM 113 NE ARG A 8 13.125 -10.650 -11.191 1.00 1.00 N ATOM 114 CZ ARG A 8 13.446 -9.647 -10.324 1.00 1.00 C ATOM 115 NH1 ARG A 8 13.698 -8.364 -10.717 1.00 1.00 N ATOM 116 NH2 ARG A 8 13.465 -9.945 -8.992 1.00 1.00 N ATOM 0 H ARG A 8 9.295 -12.040 -10.242 1.00 1.00 H new ATOM 0 HA ARG A 8 10.767 -9.647 -10.318 1.00 1.00 H new ATOM 0 HB2 ARG A 8 10.625 -11.773 -11.959 1.00 1.00 H new ATOM 0 HB3 ARG A 8 9.413 -10.795 -12.762 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.175 -9.955 -13.899 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.359 -8.931 -12.489 1.00 1.00 H new ATOM 0 HD2 ARG A 8 12.941 -11.439 -13.155 1.00 1.00 H new ATOM 0 HD3 ARG A 8 13.533 -9.791 -13.090 1.00 1.00 H new ATOM 0 HE ARG A 8 13.088 -11.597 -10.813 1.00 1.00 H new ATOM 0 HH11 ARG A 8 13.651 -8.115 -11.705 1.00 1.00 H new ATOM 0 HH12 ARG A 8 13.934 -7.655 -10.023 1.00 1.00 H new ATOM 0 HH21 ARG A 8 13.244 -10.890 -8.678 1.00 1.00 H new ATOM 0 HH22 ARG A 8 13.700 -9.223 -8.311 1.00 1.00 H new ATOM 130 N LEU A 9 7.594 -9.445 -10.972 1.00 1.00 N ATOM 131 CA LEU A 9 6.472 -8.560 -10.916 1.00 1.00 C ATOM 132 C LEU A 9 6.493 -7.719 -9.686 1.00 1.00 C ATOM 133 O LEU A 9 6.431 -6.494 -9.768 1.00 1.00 O ATOM 134 CB LEU A 9 5.158 -9.352 -11.015 1.00 1.00 C ATOM 135 CG LEU A 9 4.868 -9.946 -12.404 1.00 1.00 C ATOM 136 CD1 LEU A 9 3.680 -10.920 -12.328 1.00 1.00 C ATOM 137 CD2 LEU A 9 4.599 -8.866 -13.463 1.00 1.00 C ATOM 0 H LEU A 9 7.321 -10.427 -11.009 1.00 1.00 H new ATOM 0 HA LEU A 9 6.538 -7.886 -11.770 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.182 -10.162 -10.286 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.333 -8.697 -10.736 1.00 1.00 H new ATOM 0 HG LEU A 9 5.764 -10.484 -12.714 1.00 1.00 H new ATOM 0 HD11 LEU A 9 3.485 -11.334 -13.317 1.00 1.00 H new ATOM 0 HD12 LEU A 9 3.916 -11.729 -11.637 1.00 1.00 H new ATOM 0 HD13 LEU A 9 2.796 -10.389 -11.976 1.00 1.00 H new ATOM 0 HD21 LEU A 9 4.400 -9.340 -14.424 1.00 1.00 H new ATOM 0 HD22 LEU A 9 3.735 -8.272 -13.166 1.00 1.00 H new ATOM 0 HD23 LEU A 9 5.471 -8.218 -13.552 1.00 1.00 H new ATOM 149 N ALA A 10 6.640 -8.326 -8.495 1.00 1.00 N ATOM 150 CA ALA A 10 6.740 -7.652 -7.237 1.00 1.00 C ATOM 151 C ALA A 10 7.814 -6.619 -7.201 1.00 1.00 C ATOM 152 O ALA A 10 7.544 -5.465 -6.868 1.00 1.00 O ATOM 153 CB ALA A 10 6.944 -8.650 -6.085 1.00 1.00 C ATOM 0 H ALA A 10 6.692 -9.341 -8.405 1.00 1.00 H new ATOM 0 HA ALA A 10 5.790 -7.134 -7.108 1.00 1.00 H new ATOM 0 HB1 ALA A 10 7.016 -8.108 -5.142 1.00 1.00 H new ATOM 0 HB2 ALA A 10 6.099 -9.337 -6.045 1.00 1.00 H new ATOM 0 HB3 ALA A 10 7.862 -9.214 -6.250 1.00 1.00 H new ATOM 159 N ASP A 11 9.047 -6.966 -7.613 1.00 1.00 N ATOM 160 CA ASP A 11 10.142 -6.059 -7.770 1.00 1.00 C ATOM 161 C ASP A 11 9.842 -4.854 -8.595 1.00 1.00 C ATOM 162 O ASP A 11 10.099 -3.737 -8.152 1.00 1.00 O ATOM 163 CB ASP A 11 11.362 -6.806 -8.333 1.00 1.00 C ATOM 164 CG ASP A 11 12.352 -7.139 -7.225 1.00 1.00 C ATOM 165 OD1 ASP A 11 12.886 -6.179 -6.610 1.00 1.00 O ATOM 166 OD2 ASP A 11 12.680 -8.334 -7.000 1.00 1.00 O ATOM 0 H ASP A 11 9.292 -7.928 -7.848 1.00 1.00 H new ATOM 0 HA ASP A 11 10.355 -5.675 -6.772 1.00 1.00 H new ATOM 0 HB2 ASP A 11 11.037 -7.723 -8.824 1.00 1.00 H new ATOM 0 HB3 ASP A 11 11.850 -6.194 -9.091 1.00 1.00 H new ATOM 171 N GLN A 12 9.258 -4.999 -9.798 1.00 1.00 N ATOM 172 CA GLN A 12 8.955 -3.859 -10.607 1.00 1.00 C ATOM 173 C GLN A 12 7.873 -2.974 -10.092 1.00 1.00 C ATOM 174 O GLN A 12 7.930 -1.759 -10.276 1.00 1.00 O ATOM 175 CB GLN A 12 8.702 -4.187 -12.088 1.00 1.00 C ATOM 176 CG GLN A 12 7.436 -4.992 -12.392 1.00 1.00 C ATOM 177 CD GLN A 12 7.130 -5.034 -13.881 1.00 1.00 C ATOM 178 OE1 GLN A 12 7.324 -6.042 -14.561 1.00 1.00 O ATOM 179 NE2 GLN A 12 6.621 -3.891 -14.412 1.00 1.00 N ATOM 0 H GLN A 12 8.998 -5.896 -10.208 1.00 1.00 H new ATOM 0 HA GLN A 12 9.882 -3.291 -10.536 1.00 1.00 H new ATOM 0 HB2 GLN A 12 8.655 -3.251 -12.644 1.00 1.00 H new ATOM 0 HB3 GLN A 12 9.560 -4.741 -12.468 1.00 1.00 H new ATOM 0 HG2 GLN A 12 7.555 -6.009 -12.018 1.00 1.00 H new ATOM 0 HG3 GLN A 12 6.591 -4.553 -11.861 1.00 1.00 H new ATOM 0 HE21 GLN A 12 6.473 -3.075 -13.819 1.00 1.00 H new ATOM 0 HE22 GLN A 12 6.387 -3.850 -15.404 1.00 1.00 H new ATOM 188 N LEU A 13 6.843 -3.505 -9.409 1.00 1.00 N ATOM 189 CA LEU A 13 5.809 -2.743 -8.779 1.00 1.00 C ATOM 190 C LEU A 13 6.349 -1.948 -7.641 1.00 1.00 C ATOM 191 O LEU A 13 6.299 -0.719 -7.640 1.00 1.00 O ATOM 192 CB LEU A 13 4.767 -3.716 -8.202 1.00 1.00 C ATOM 193 CG LEU A 13 3.978 -4.500 -9.266 1.00 1.00 C ATOM 194 CD1 LEU A 13 3.187 -5.650 -8.621 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.056 -3.617 -10.122 1.00 1.00 C ATOM 0 H LEU A 13 6.726 -4.511 -9.291 1.00 1.00 H new ATOM 0 HA LEU A 13 5.376 -2.072 -9.521 1.00 1.00 H new ATOM 0 HB2 LEU A 13 5.272 -4.424 -7.545 1.00 1.00 H new ATOM 0 HB3 LEU A 13 4.065 -3.155 -7.585 1.00 1.00 H new ATOM 0 HG LEU A 13 4.720 -4.914 -9.949 1.00 1.00 H new ATOM 0 HD11 LEU A 13 2.637 -6.190 -9.391 1.00 1.00 H new ATOM 0 HD12 LEU A 13 3.877 -6.331 -8.122 1.00 1.00 H new ATOM 0 HD13 LEU A 13 2.486 -5.245 -7.891 1.00 1.00 H new ATOM 0 HD21 LEU A 13 2.532 -4.236 -10.850 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.330 -3.119 -9.480 1.00 1.00 H new ATOM 0 HD23 LEU A 13 3.652 -2.868 -10.644 1.00 1.00 H new ATOM 207 N TRP A 14 6.938 -2.659 -6.662 1.00 1.00 N ATOM 208 CA TRP A 14 7.518 -2.118 -5.473 1.00 1.00 C ATOM 209 C TRP A 14 8.467 -1.000 -5.737 1.00 1.00 C ATOM 210 O TRP A 14 8.358 0.084 -5.166 1.00 1.00 O ATOM 211 CB TRP A 14 8.211 -3.216 -4.650 1.00 1.00 C ATOM 212 CG TRP A 14 7.426 -3.813 -3.506 1.00 1.00 C ATOM 213 CD1 TRP A 14 7.784 -3.731 -2.192 1.00 1.00 C ATOM 214 CD2 TRP A 14 6.179 -4.534 -3.527 1.00 1.00 C ATOM 215 NE1 TRP A 14 6.836 -4.312 -1.392 1.00 1.00 N ATOM 216 CE2 TRP A 14 5.827 -4.789 -2.196 1.00 1.00 C ATOM 217 CE3 TRP A 14 5.366 -4.945 -4.547 1.00 1.00 C ATOM 218 CZ2 TRP A 14 4.653 -5.420 -1.887 1.00 1.00 C ATOM 219 CZ3 TRP A 14 4.191 -5.588 -4.231 1.00 1.00 C ATOM 220 CH2 TRP A 14 3.839 -5.815 -2.922 1.00 1.00 C ATOM 0 H TRP A 14 7.013 -3.675 -6.705 1.00 1.00 H new ATOM 0 HA TRP A 14 6.690 -1.702 -4.898 1.00 1.00 H new ATOM 0 HB2 TRP A 14 8.489 -4.023 -5.328 1.00 1.00 H new ATOM 0 HB3 TRP A 14 9.137 -2.805 -4.248 1.00 1.00 H new ATOM 0 HD1 TRP A 14 8.692 -3.270 -1.831 1.00 1.00 H new ATOM 0 HE1 TRP A 14 6.872 -4.379 -0.375 1.00 1.00 H new ATOM 0 HE3 TRP A 14 5.640 -4.769 -5.577 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 4.374 -5.602 -0.860 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 3.536 -5.919 -5.023 1.00 1.00 H new ATOM 0 HH2 TRP A 14 2.906 -6.313 -2.703 1.00 1.00 H new ATOM 231 N LEU A 15 9.419 -1.208 -6.661 1.00 1.00 N ATOM 232 CA LEU A 15 10.348 -0.209 -7.090 1.00 1.00 C ATOM 233 C LEU A 15 9.702 0.972 -7.730 1.00 1.00 C ATOM 234 O LEU A 15 9.849 2.094 -7.246 1.00 1.00 O ATOM 235 CB LEU A 15 11.393 -0.825 -8.037 1.00 1.00 C ATOM 236 CG LEU A 15 12.474 0.131 -8.565 1.00 1.00 C ATOM 237 CD1 LEU A 15 13.239 0.854 -7.443 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.468 -0.640 -9.451 1.00 1.00 C ATOM 0 H LEU A 15 9.548 -2.106 -7.128 1.00 1.00 H new ATOM 0 HA LEU A 15 10.837 0.162 -6.189 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.886 -1.646 -7.516 1.00 1.00 H new ATOM 0 HB3 LEU A 15 10.870 -1.257 -8.891 1.00 1.00 H new ATOM 0 HG LEU A 15 11.959 0.896 -9.147 1.00 1.00 H new ATOM 0 HD11 LEU A 15 13.988 1.514 -7.880 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.541 1.442 -6.847 1.00 1.00 H new ATOM 0 HD13 LEU A 15 13.731 0.119 -6.806 1.00 1.00 H new ATOM 0 HD21 LEU A 15 14.231 0.044 -9.822 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.941 -1.429 -8.866 1.00 1.00 H new ATOM 0 HD23 LEU A 15 12.937 -1.082 -10.294 1.00 1.00 H new ATOM 250 N THR A 16 8.946 0.784 -8.824 1.00 1.00 N ATOM 251 CA THR A 16 8.392 1.859 -9.589 1.00 1.00 C ATOM 252 C THR A 16 7.387 2.678 -8.855 1.00 1.00 C ATOM 253 O THR A 16 7.390 3.901 -8.989 1.00 1.00 O ATOM 254 CB THR A 16 7.864 1.392 -10.914 1.00 1.00 C ATOM 255 OG1 THR A 16 8.960 0.902 -11.674 1.00 1.00 O ATOM 256 CG2 THR A 16 7.235 2.505 -11.769 1.00 1.00 C ATOM 0 H THR A 16 8.713 -0.140 -9.188 1.00 1.00 H new ATOM 0 HA THR A 16 9.229 2.531 -9.778 1.00 1.00 H new ATOM 0 HB THR A 16 7.097 0.651 -10.691 1.00 1.00 H new ATOM 0 HG1 THR A 16 9.061 -0.061 -11.520 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.879 2.084 -12.709 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.398 2.949 -11.230 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.982 3.272 -11.975 1.00 1.00 H new ATOM 264 N ILE A 17 6.537 2.071 -8.008 1.00 1.00 N ATOM 265 CA ILE A 17 5.599 2.746 -7.166 1.00 1.00 C ATOM 266 C ILE A 17 6.283 3.591 -6.146 1.00 1.00 C ATOM 267 O ILE A 17 6.032 4.793 -6.093 1.00 1.00 O ATOM 268 CB ILE A 17 4.606 1.814 -6.536 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.748 1.143 -7.623 1.00 1.00 C ATOM 270 CG2 ILE A 17 3.690 2.549 -5.543 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.930 -0.039 -7.106 1.00 1.00 C ATOM 0 H ILE A 17 6.503 1.057 -7.905 1.00 1.00 H new ATOM 0 HA ILE A 17 5.028 3.409 -7.815 1.00 1.00 H new ATOM 0 HB ILE A 17 5.167 1.057 -5.987 1.00 1.00 H new ATOM 0 HG12 ILE A 17 3.072 1.884 -8.051 1.00 1.00 H new ATOM 0 HG13 ILE A 17 4.398 0.801 -8.429 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.984 1.842 -5.107 1.00 1.00 H new ATOM 0 HG22 ILE A 17 4.294 2.994 -4.752 1.00 1.00 H new ATOM 0 HG23 ILE A 17 3.142 3.333 -6.065 1.00 1.00 H new ATOM 0 HD11 ILE A 17 2.349 -0.465 -7.924 1.00 1.00 H new ATOM 0 HD12 ILE A 17 3.601 -0.798 -6.704 1.00 1.00 H new ATOM 0 HD13 ILE A 17 2.255 0.301 -6.320 1.00 1.00 H new ATOM 283 N GLU A 18 7.203 3.025 -5.346 1.00 1.00 N ATOM 284 CA GLU A 18 7.945 3.737 -4.353 1.00 1.00 C ATOM 285 C GLU A 18 8.684 4.912 -4.896 1.00 1.00 C ATOM 286 O GLU A 18 8.552 6.034 -4.411 1.00 1.00 O ATOM 287 CB GLU A 18 8.957 2.801 -3.670 1.00 1.00 C ATOM 288 CG GLU A 18 9.784 3.395 -2.529 1.00 1.00 C ATOM 289 CD GLU A 18 11.285 3.314 -2.769 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.829 2.185 -2.904 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.956 4.380 -2.804 1.00 1.00 O ATOM 0 H GLU A 18 7.439 2.034 -5.392 1.00 1.00 H new ATOM 0 HA GLU A 18 7.209 4.106 -3.639 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.415 1.938 -3.283 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.644 2.430 -4.431 1.00 1.00 H new ATOM 0 HG2 GLU A 18 9.501 4.438 -2.389 1.00 1.00 H new ATOM 0 HG3 GLU A 18 9.542 2.872 -1.604 1.00 1.00 H new ATOM 298 N GLU A 19 9.434 4.683 -5.990 1.00 1.00 N ATOM 299 CA GLU A 19 10.132 5.671 -6.751 1.00 1.00 C ATOM 300 C GLU A 19 9.270 6.789 -7.230 1.00 1.00 C ATOM 301 O GLU A 19 9.602 7.957 -7.031 1.00 1.00 O ATOM 302 CB GLU A 19 10.821 4.981 -7.942 1.00 1.00 C ATOM 303 CG GLU A 19 11.726 5.878 -8.789 1.00 1.00 C ATOM 304 CD GLU A 19 12.332 5.061 -9.921 1.00 1.00 C ATOM 305 OE1 GLU A 19 11.588 4.715 -10.877 1.00 1.00 O ATOM 306 OE2 GLU A 19 13.554 4.761 -9.869 1.00 1.00 O ATOM 0 H GLU A 19 9.560 3.743 -6.366 1.00 1.00 H new ATOM 0 HA GLU A 19 10.863 6.131 -6.086 1.00 1.00 H new ATOM 0 HB2 GLU A 19 11.415 4.149 -7.564 1.00 1.00 H new ATOM 0 HB3 GLU A 19 10.052 4.556 -8.588 1.00 1.00 H new ATOM 0 HG2 GLU A 19 11.153 6.712 -9.194 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.516 6.304 -8.170 1.00 1.00 H new ATOM 313 N ARG A 20 8.111 6.500 -7.846 1.00 1.00 N ATOM 314 CA ARG A 20 7.194 7.477 -8.348 1.00 1.00 C ATOM 315 C ARG A 20 6.677 8.420 -7.316 1.00 1.00 C ATOM 316 O ARG A 20 6.627 9.627 -7.543 1.00 1.00 O ATOM 317 CB ARG A 20 5.991 6.809 -9.035 1.00 1.00 C ATOM 318 CG ARG A 20 4.924 7.735 -9.621 1.00 1.00 C ATOM 319 CD ARG A 20 5.265 8.440 -10.935 1.00 1.00 C ATOM 320 NE ARG A 20 6.215 9.565 -10.705 1.00 1.00 N ATOM 321 CZ ARG A 20 6.630 10.364 -11.730 1.00 1.00 C ATOM 322 NH1 ARG A 20 6.131 10.223 -12.992 1.00 1.00 N ATOM 323 NH2 ARG A 20 7.582 11.329 -11.560 1.00 1.00 N ATOM 0 H ARG A 20 7.798 5.542 -8.002 1.00 1.00 H new ATOM 0 HA ARG A 20 7.778 8.057 -9.062 1.00 1.00 H new ATOM 0 HB2 ARG A 20 6.368 6.176 -9.838 1.00 1.00 H new ATOM 0 HB3 ARG A 20 5.509 6.152 -8.311 1.00 1.00 H new ATOM 0 HG2 ARG A 20 4.016 7.152 -9.775 1.00 1.00 H new ATOM 0 HG3 ARG A 20 4.691 8.497 -8.878 1.00 1.00 H new ATOM 0 HD2 ARG A 20 5.703 7.726 -11.632 1.00 1.00 H new ATOM 0 HD3 ARG A 20 4.353 8.818 -11.397 1.00 1.00 H new ATOM 0 HE ARG A 20 6.562 9.741 -9.762 1.00 1.00 H new ATOM 0 HH11 ARG A 20 5.431 9.507 -13.187 1.00 1.00 H new ATOM 0 HH12 ARG A 20 6.458 10.833 -13.741 1.00 1.00 H new ATOM 0 HH21 ARG A 20 8.007 11.470 -10.644 1.00 1.00 H new ATOM 0 HH22 ARG A 20 7.868 11.908 -12.350 1.00 1.00 H new ATOM 337 N LEU A 21 6.260 7.905 -6.146 1.00 1.00 N ATOM 338 CA LEU A 21 5.696 8.717 -5.111 1.00 1.00 C ATOM 339 C LEU A 21 6.688 9.388 -4.222 1.00 1.00 C ATOM 340 O LEU A 21 6.402 10.465 -3.703 1.00 1.00 O ATOM 341 CB LEU A 21 4.620 7.950 -4.329 1.00 1.00 C ATOM 342 CG LEU A 21 5.097 6.672 -3.617 1.00 1.00 C ATOM 343 CD1 LEU A 21 5.516 6.925 -2.160 1.00 1.00 C ATOM 344 CD2 LEU A 21 3.982 5.613 -3.678 1.00 1.00 C ATOM 0 H LEU A 21 6.314 6.913 -5.914 1.00 1.00 H new ATOM 0 HA LEU A 21 5.213 9.548 -5.626 1.00 1.00 H new ATOM 0 HB2 LEU A 21 4.191 8.620 -3.584 1.00 1.00 H new ATOM 0 HB3 LEU A 21 3.818 7.683 -5.017 1.00 1.00 H new ATOM 0 HG LEU A 21 5.986 6.314 -4.137 1.00 1.00 H new ATOM 0 HD11 LEU A 21 5.843 5.989 -1.708 1.00 1.00 H new ATOM 0 HD12 LEU A 21 6.334 7.645 -2.136 1.00 1.00 H new ATOM 0 HD13 LEU A 21 4.668 7.321 -1.601 1.00 1.00 H new ATOM 0 HD21 LEU A 21 4.315 4.705 -3.175 1.00 1.00 H new ATOM 0 HD22 LEU A 21 3.089 5.996 -3.183 1.00 1.00 H new ATOM 0 HD23 LEU A 21 3.751 5.387 -4.719 1.00 1.00 H new ATOM 356 N ASP A 22 7.904 8.845 -4.034 1.00 1.00 N ATOM 357 CA ASP A 22 9.018 9.561 -3.491 1.00 1.00 C ATOM 358 C ASP A 22 9.447 10.711 -4.333 1.00 1.00 C ATOM 359 O ASP A 22 9.894 11.741 -3.835 1.00 1.00 O ATOM 360 CB ASP A 22 10.162 8.557 -3.272 1.00 1.00 C ATOM 361 CG ASP A 22 11.242 9.035 -2.312 1.00 1.00 C ATOM 362 OD1 ASP A 22 11.080 8.830 -1.080 1.00 1.00 O ATOM 363 OD2 ASP A 22 12.299 9.543 -2.775 1.00 1.00 O ATOM 0 H ASP A 22 8.120 7.876 -4.267 1.00 1.00 H new ATOM 0 HA ASP A 22 8.719 10.010 -2.544 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.743 7.624 -2.894 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.622 8.333 -4.235 1.00 1.00 H new ATOM 368 N ASP A 23 9.337 10.597 -5.669 1.00 1.00 N ATOM 369 CA ASP A 23 9.666 11.601 -6.632 1.00 1.00 C ATOM 370 C ASP A 23 8.734 12.765 -6.657 1.00 1.00 C ATOM 371 O ASP A 23 9.159 13.914 -6.548 1.00 1.00 O ATOM 372 CB ASP A 23 9.729 10.909 -8.003 1.00 1.00 C ATOM 373 CG ASP A 23 10.315 11.766 -9.116 1.00 1.00 C ATOM 374 OD1 ASP A 23 11.569 11.854 -9.212 1.00 1.00 O ATOM 375 OD2 ASP A 23 9.526 12.304 -9.937 1.00 1.00 O ATOM 0 H ASP A 23 8.993 9.742 -6.106 1.00 1.00 H new ATOM 0 HA ASP A 23 10.625 12.039 -6.355 1.00 1.00 H new ATOM 0 HB2 ASP A 23 10.323 10.000 -7.910 1.00 1.00 H new ATOM 0 HB3 ASP A 23 8.722 10.604 -8.288 1.00 1.00 H new ATOM 380 N TRP A 24 7.420 12.532 -6.831 1.00 1.00 N ATOM 381 CA TRP A 24 6.440 13.555 -7.025 1.00 1.00 C ATOM 382 C TRP A 24 6.141 14.322 -5.782 1.00 1.00 C ATOM 383 O TRP A 24 6.020 13.750 -4.701 1.00 1.00 O ATOM 384 CB TRP A 24 5.155 12.912 -7.572 1.00 1.00 C ATOM 385 CG TRP A 24 4.150 13.811 -8.249 1.00 1.00 C ATOM 386 CD1 TRP A 24 3.057 14.446 -7.732 1.00 1.00 C ATOM 387 CD2 TRP A 24 4.125 14.070 -9.665 1.00 1.00 C ATOM 388 NE1 TRP A 24 2.366 15.096 -8.721 1.00 1.00 N ATOM 389 CE2 TRP A 24 3.002 14.869 -9.918 1.00 1.00 C ATOM 390 CE3 TRP A 24 4.946 13.671 -10.684 1.00 1.00 C ATOM 391 CZ2 TRP A 24 2.703 15.272 -11.191 1.00 1.00 C ATOM 392 CZ3 TRP A 24 4.614 14.047 -11.963 1.00 1.00 C ATOM 393 CH2 TRP A 24 3.511 14.830 -12.212 1.00 1.00 C ATOM 0 H TRP A 24 7.025 11.592 -6.837 1.00 1.00 H new ATOM 0 HA TRP A 24 6.847 14.273 -7.737 1.00 1.00 H new ATOM 0 HB2 TRP A 24 5.444 12.138 -8.283 1.00 1.00 H new ATOM 0 HB3 TRP A 24 4.652 12.412 -6.744 1.00 1.00 H new ATOM 0 HD1 TRP A 24 2.776 14.437 -6.689 1.00 1.00 H new ATOM 0 HE1 TRP A 24 1.522 15.654 -8.591 1.00 1.00 H new ATOM 0 HE3 TRP A 24 5.828 13.079 -10.489 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 1.859 15.917 -11.388 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 5.230 13.722 -12.788 1.00 1.00 H new ATOM 0 HH2 TRP A 24 3.275 15.103 -13.230 1.00 1.00 H new ATOM 404 N ASP A 25 5.991 15.656 -5.865 1.00 1.00 N ATOM 405 CA ASP A 25 5.652 16.460 -4.731 1.00 1.00 C ATOM 406 C ASP A 25 4.182 16.492 -4.487 1.00 1.00 C ATOM 407 O ASP A 25 3.487 15.485 -4.613 1.00 1.00 O ATOM 408 CB ASP A 25 6.263 17.867 -4.839 1.00 1.00 C ATOM 409 CG ASP A 25 7.780 17.790 -4.941 1.00 1.00 C ATOM 410 OD1 ASP A 25 8.418 17.160 -4.057 1.00 1.00 O ATOM 411 OD2 ASP A 25 8.357 18.394 -5.885 1.00 1.00 O ATOM 0 H ASP A 25 6.106 16.184 -6.730 1.00 1.00 H new ATOM 0 HA ASP A 25 6.094 15.989 -3.853 1.00 1.00 H new ATOM 0 HB2 ASP A 25 5.860 18.377 -5.714 1.00 1.00 H new ATOM 0 HB3 ASP A 25 5.982 18.459 -3.968 1.00 1.00 H new ATOM 416 N GLY A 26 3.594 17.634 -4.091 1.00 1.00 N ATOM 417 CA GLY A 26 2.202 17.636 -3.759 1.00 1.00 C ATOM 418 C GLY A 26 1.758 18.837 -2.997 1.00 1.00 C ATOM 419 O GLY A 26 2.450 19.850 -2.901 1.00 1.00 O ATOM 0 H GLY A 26 4.066 18.534 -4.002 1.00 1.00 H new ATOM 0 HA2 GLY A 26 1.621 17.567 -4.678 1.00 1.00 H new ATOM 0 HA3 GLY A 26 1.978 16.745 -3.173 1.00 1.00 H new ATOM 423 N ASP A 27 0.559 18.737 -2.397 1.00 1.00 N ATOM 424 CA ASP A 27 0.033 19.665 -1.445 1.00 1.00 C ATOM 425 C ASP A 27 0.517 19.261 -0.096 1.00 1.00 C ATOM 426 O ASP A 27 1.130 20.030 0.643 1.00 1.00 O ATOM 427 CB ASP A 27 -1.504 19.628 -1.509 1.00 1.00 C ATOM 428 CG ASP A 27 -2.129 20.624 -0.542 1.00 1.00 C ATOM 429 OD1 ASP A 27 -1.884 21.850 -0.692 1.00 1.00 O ATOM 430 OD2 ASP A 27 -2.859 20.185 0.389 1.00 1.00 O ATOM 0 H ASP A 27 -0.079 17.964 -2.587 1.00 1.00 H new ATOM 0 HA ASP A 27 0.362 20.682 -1.659 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -1.832 19.851 -2.524 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -1.854 18.623 -1.274 1.00 1.00 H new ATOM 435 N SER A 28 0.265 17.981 0.232 1.00 1.00 N ATOM 436 CA SER A 28 0.643 17.342 1.455 1.00 1.00 C ATOM 437 C SER A 28 2.057 16.885 1.366 1.00 1.00 C ATOM 438 O SER A 28 2.756 17.138 0.386 1.00 1.00 O ATOM 439 CB SER A 28 -0.311 16.172 1.748 1.00 1.00 C ATOM 440 OG SER A 28 -0.324 15.779 3.112 1.00 1.00 O ATOM 0 H SER A 28 -0.235 17.353 -0.397 1.00 1.00 H new ATOM 0 HA SER A 28 0.569 18.050 2.280 1.00 1.00 H new ATOM 0 HB2 SER A 28 -1.321 16.454 1.450 1.00 1.00 H new ATOM 0 HB3 SER A 28 -0.024 15.318 1.135 1.00 1.00 H new ATOM 0 HG SER A 28 -0.950 15.034 3.232 1.00 1.00 H new ATOM 446 N ASP A 29 2.567 16.194 2.403 1.00 1.00 N ATOM 447 CA ASP A 29 3.875 15.616 2.400 1.00 1.00 C ATOM 448 C ASP A 29 3.740 14.165 2.094 1.00 1.00 C ATOM 449 O ASP A 29 2.639 13.651 1.899 1.00 1.00 O ATOM 450 CB ASP A 29 4.569 15.898 3.742 1.00 1.00 C ATOM 451 CG ASP A 29 6.086 15.764 3.722 1.00 1.00 C ATOM 452 OD1 ASP A 29 6.700 15.587 2.636 1.00 1.00 O ATOM 453 OD2 ASP A 29 6.676 15.795 4.835 1.00 1.00 O ATOM 0 H ASP A 29 2.053 16.033 3.269 1.00 1.00 H new ATOM 0 HA ASP A 29 4.510 16.059 1.633 1.00 1.00 H new ATOM 0 HB2 ASP A 29 4.313 16.908 4.061 1.00 1.00 H new ATOM 0 HB3 ASP A 29 4.169 15.215 4.492 1.00 1.00 H new ATOM 458 N ILE A 30 4.868 13.438 2.016 1.00 1.00 N ATOM 459 CA ILE A 30 4.924 12.067 1.612 1.00 1.00 C ATOM 460 C ILE A 30 6.114 11.467 2.277 1.00 1.00 C ATOM 461 O ILE A 30 7.230 11.981 2.233 1.00 1.00 O ATOM 462 CB ILE A 30 4.937 11.897 0.121 1.00 1.00 C ATOM 463 CG1 ILE A 30 4.882 10.427 -0.326 1.00 1.00 C ATOM 464 CG2 ILE A 30 6.115 12.628 -0.545 1.00 1.00 C ATOM 465 CD1 ILE A 30 3.596 9.711 0.086 1.00 1.00 C ATOM 0 H ILE A 30 5.784 13.824 2.245 1.00 1.00 H new ATOM 0 HA ILE A 30 4.019 11.546 1.924 1.00 1.00 H new ATOM 0 HB ILE A 30 4.016 12.366 -0.224 1.00 1.00 H new ATOM 0 HG12 ILE A 30 4.982 10.382 -1.410 1.00 1.00 H new ATOM 0 HG13 ILE A 30 5.735 9.895 0.095 1.00 1.00 H new ATOM 0 HG21 ILE A 30 6.077 12.472 -1.623 1.00 1.00 H new ATOM 0 HG22 ILE A 30 6.050 13.695 -0.330 1.00 1.00 H new ATOM 0 HG23 ILE A 30 7.054 12.236 -0.155 1.00 1.00 H new ATOM 0 HD11 ILE A 30 3.627 8.679 -0.263 1.00 1.00 H new ATOM 0 HD12 ILE A 30 3.504 9.725 1.172 1.00 1.00 H new ATOM 0 HD13 ILE A 30 2.739 10.218 -0.357 1.00 1.00 H new ATOM 477 N ASP A 31 5.885 10.349 2.990 1.00 1.00 N ATOM 478 CA ASP A 31 6.897 9.433 3.417 1.00 1.00 C ATOM 479 C ASP A 31 6.472 8.045 3.082 1.00 1.00 C ATOM 480 O ASP A 31 5.442 7.537 3.520 1.00 1.00 O ATOM 481 CB ASP A 31 7.228 9.598 4.909 1.00 1.00 C ATOM 482 CG ASP A 31 8.495 8.846 5.292 1.00 1.00 C ATOM 483 OD1 ASP A 31 9.524 9.010 4.584 1.00 1.00 O ATOM 484 OD2 ASP A 31 8.482 8.090 6.299 1.00 1.00 O ATOM 0 H ASP A 31 4.948 10.071 3.283 1.00 1.00 H new ATOM 0 HA ASP A 31 7.823 9.652 2.885 1.00 1.00 H new ATOM 0 HB2 ASP A 31 7.349 10.656 5.140 1.00 1.00 H new ATOM 0 HB3 ASP A 31 6.394 9.235 5.509 1.00 1.00 H new ATOM 489 N CYS A 32 7.261 7.352 2.240 1.00 1.00 N ATOM 490 CA CYS A 32 7.078 5.976 1.896 1.00 1.00 C ATOM 491 C CYS A 32 7.742 5.080 2.884 1.00 1.00 C ATOM 492 O CYS A 32 8.896 5.271 3.264 1.00 1.00 O ATOM 493 CB CYS A 32 7.609 5.838 0.459 1.00 1.00 C ATOM 494 SG CYS A 32 9.406 5.920 0.202 1.00 1.00 S ATOM 0 H CYS A 32 8.066 7.773 1.777 1.00 1.00 H new ATOM 0 HA CYS A 32 6.033 5.668 1.931 1.00 1.00 H new ATOM 0 HB2 CYS A 32 7.258 4.885 0.064 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.149 6.621 -0.144 1.00 1.00 H new ATOM 0 HG CYS A 32 10.016 5.675 1.323 1.00 1.00 H new ATOM 500 N GLU A 33 7.015 4.061 3.373 1.00 1.00 N ATOM 501 CA GLU A 33 7.520 3.044 4.241 1.00 1.00 C ATOM 502 C GLU A 33 7.809 1.822 3.437 1.00 1.00 C ATOM 503 O GLU A 33 7.016 1.435 2.580 1.00 1.00 O ATOM 504 CB GLU A 33 6.496 2.630 5.312 1.00 1.00 C ATOM 505 CG GLU A 33 6.287 3.652 6.432 1.00 1.00 C ATOM 506 CD GLU A 33 7.300 3.559 7.562 1.00 1.00 C ATOM 507 OE1 GLU A 33 8.026 2.536 7.676 1.00 1.00 O ATOM 508 OE2 GLU A 33 7.348 4.506 8.394 1.00 1.00 O ATOM 0 H GLU A 33 6.027 3.940 3.152 1.00 1.00 H new ATOM 0 HA GLU A 33 8.408 3.450 4.726 1.00 1.00 H new ATOM 0 HB2 GLU A 33 5.538 2.444 4.826 1.00 1.00 H new ATOM 0 HB3 GLU A 33 6.816 1.687 5.755 1.00 1.00 H new ATOM 0 HG2 GLU A 33 6.327 4.654 6.005 1.00 1.00 H new ATOM 0 HG3 GLU A 33 5.287 3.521 6.845 1.00 1.00 H new ATOM 515 N ILE A 34 8.950 1.165 3.703 1.00 1.00 N ATOM 516 CA ILE A 34 9.399 -0.035 3.066 1.00 1.00 C ATOM 517 C ILE A 34 9.705 -0.998 4.160 1.00 1.00 C ATOM 518 O ILE A 34 10.590 -0.830 4.998 1.00 1.00 O ATOM 519 CB ILE A 34 10.552 0.232 2.144 1.00 1.00 C ATOM 520 CG1 ILE A 34 11.221 -1.049 1.616 1.00 1.00 C ATOM 521 CG2 ILE A 34 11.602 1.162 2.775 1.00 1.00 C ATOM 522 CD1 ILE A 34 10.318 -1.937 0.761 1.00 1.00 C ATOM 0 H ILE A 34 9.605 1.495 4.412 1.00 1.00 H new ATOM 0 HA ILE A 34 8.637 -0.462 2.414 1.00 1.00 H new ATOM 0 HB ILE A 34 10.113 0.742 1.287 1.00 1.00 H new ATOM 0 HG12 ILE A 34 12.095 -0.770 1.027 1.00 1.00 H new ATOM 0 HG13 ILE A 34 11.581 -1.631 2.465 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.416 1.324 2.068 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.140 2.118 3.022 1.00 1.00 H new ATOM 0 HG23 ILE A 34 11.995 0.704 3.682 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.875 -2.815 0.434 1.00 1.00 H new ATOM 0 HD12 ILE A 34 9.456 -2.252 1.349 1.00 1.00 H new ATOM 0 HD13 ILE A 34 9.978 -1.378 -0.111 1.00 1.00 H new ATOM 534 N ASN A 35 8.906 -2.079 4.203 1.00 1.00 N ATOM 535 CA ASN A 35 9.053 -3.167 5.120 1.00 1.00 C ATOM 536 C ASN A 35 9.128 -4.426 4.326 1.00 1.00 C ATOM 537 O ASN A 35 9.088 -4.397 3.097 1.00 1.00 O ATOM 538 CB ASN A 35 7.913 -3.137 6.154 1.00 1.00 C ATOM 539 CG ASN A 35 8.375 -3.587 7.534 1.00 1.00 C ATOM 540 OD1 ASN A 35 8.822 -4.720 7.702 1.00 1.00 O ATOM 541 ND2 ASN A 35 8.254 -2.687 8.546 1.00 1.00 N ATOM 0 H ASN A 35 8.118 -2.200 3.567 1.00 1.00 H new ATOM 0 HA ASN A 35 9.972 -3.092 5.702 1.00 1.00 H new ATOM 0 HB2 ASN A 35 7.511 -2.126 6.219 1.00 1.00 H new ATOM 0 HB3 ASN A 35 7.102 -3.782 5.816 1.00 1.00 H new ATOM 0 HD21 ASN A 35 8.540 -2.941 9.492 1.00 1.00 H new ATOM 0 HD22 ASN A 35 7.877 -1.758 8.360 1.00 1.00 H new ATOM 548 N GLY A 36 9.269 -5.593 4.978 1.00 1.00 N ATOM 549 CA GLY A 36 9.585 -6.833 4.337 1.00 1.00 C ATOM 550 C GLY A 36 8.500 -7.434 3.512 1.00 1.00 C ATOM 551 O GLY A 36 7.721 -8.263 3.980 1.00 1.00 O ATOM 0 H GLY A 36 9.159 -5.677 5.989 1.00 1.00 H new ATOM 0 HA2 GLY A 36 10.456 -6.679 3.700 1.00 1.00 H new ATOM 0 HA3 GLY A 36 9.873 -7.553 5.103 1.00 1.00 H new ATOM 555 N GLY A 37 8.433 -7.031 2.229 1.00 1.00 N ATOM 556 CA GLY A 37 7.382 -7.351 1.315 1.00 1.00 C ATOM 557 C GLY A 37 6.200 -6.459 1.470 1.00 1.00 C ATOM 558 O GLY A 37 5.087 -6.849 1.121 1.00 1.00 O ATOM 0 H GLY A 37 9.156 -6.448 1.807 1.00 1.00 H new ATOM 0 HA2 GLY A 37 7.757 -7.277 0.294 1.00 1.00 H new ATOM 0 HA3 GLY A 37 7.075 -8.386 1.467 1.00 1.00 H new ATOM 562 N VAL A 38 6.385 -5.244 2.018 1.00 1.00 N ATOM 563 CA VAL A 38 5.315 -4.355 2.347 1.00 1.00 C ATOM 564 C VAL A 38 5.701 -2.966 1.969 1.00 1.00 C ATOM 565 O VAL A 38 6.810 -2.522 2.261 1.00 1.00 O ATOM 566 CB VAL A 38 4.999 -4.371 3.813 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.828 -3.448 4.182 1.00 1.00 C ATOM 568 CG2 VAL A 38 4.690 -5.797 4.297 1.00 1.00 C ATOM 0 H VAL A 38 7.308 -4.869 2.239 1.00 1.00 H new ATOM 0 HA VAL A 38 4.432 -4.687 1.800 1.00 1.00 H new ATOM 0 HB VAL A 38 5.892 -3.996 4.314 1.00 1.00 H new ATOM 0 HG11 VAL A 38 3.646 -3.502 5.255 1.00 1.00 H new ATOM 0 HG12 VAL A 38 4.073 -2.422 3.907 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.933 -3.764 3.646 1.00 1.00 H new ATOM 0 HG21 VAL A 38 4.465 -5.778 5.363 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.831 -6.188 3.751 1.00 1.00 H new ATOM 0 HG23 VAL A 38 5.555 -6.437 4.120 1.00 1.00 H new ATOM 578 N LEU A 39 4.800 -2.204 1.325 1.00 1.00 N ATOM 579 CA LEU A 39 4.917 -0.789 1.151 1.00 1.00 C ATOM 580 C LEU A 39 3.770 -0.125 1.832 1.00 1.00 C ATOM 581 O LEU A 39 2.641 -0.610 1.865 1.00 1.00 O ATOM 582 CB LEU A 39 4.924 -0.370 -0.330 1.00 1.00 C ATOM 583 CG LEU A 39 6.276 -0.565 -1.040 1.00 1.00 C ATOM 584 CD1 LEU A 39 6.148 -0.222 -2.534 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.429 0.235 -0.411 1.00 1.00 C ATOM 0 H LEU A 39 3.953 -2.590 0.907 1.00 1.00 H new ATOM 0 HA LEU A 39 5.870 -0.484 1.583 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.163 -0.942 -0.860 1.00 1.00 H new ATOM 0 HB3 LEU A 39 4.639 0.680 -0.399 1.00 1.00 H new ATOM 0 HG LEU A 39 6.532 -1.617 -0.918 1.00 1.00 H new ATOM 0 HD11 LEU A 39 7.111 -0.364 -3.024 1.00 1.00 H new ATOM 0 HD12 LEU A 39 5.407 -0.875 -2.995 1.00 1.00 H new ATOM 0 HD13 LEU A 39 5.835 0.816 -2.643 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.348 0.046 -0.966 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.196 1.299 -0.447 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.562 -0.072 0.626 1.00 1.00 H new ATOM 597 N THR A 40 4.032 1.034 2.462 1.00 1.00 N ATOM 598 CA THR A 40 3.003 1.783 3.115 1.00 1.00 C ATOM 599 C THR A 40 3.213 3.229 2.820 1.00 1.00 C ATOM 600 O THR A 40 4.195 3.858 3.213 1.00 1.00 O ATOM 601 CB THR A 40 2.876 1.548 4.590 1.00 1.00 C ATOM 602 OG1 THR A 40 3.291 0.241 4.957 1.00 1.00 O ATOM 603 CG2 THR A 40 1.395 1.629 4.996 1.00 1.00 C ATOM 0 H THR A 40 4.960 1.454 2.519 1.00 1.00 H new ATOM 0 HA THR A 40 2.054 1.429 2.712 1.00 1.00 H new ATOM 0 HB THR A 40 3.496 2.300 5.078 1.00 1.00 H new ATOM 0 HG1 THR A 40 3.195 0.127 5.926 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.302 1.458 6.068 1.00 1.00 H new ATOM 0 HG22 THR A 40 1.004 2.616 4.750 1.00 1.00 H new ATOM 0 HG23 THR A 40 0.828 0.870 4.457 1.00 1.00 H new ATOM 611 N ILE A 41 2.296 3.812 2.028 1.00 1.00 N ATOM 612 CA ILE A 41 2.455 5.084 1.395 1.00 1.00 C ATOM 613 C ILE A 41 1.780 6.096 2.255 1.00 1.00 C ATOM 614 O ILE A 41 0.552 6.114 2.314 1.00 1.00 O ATOM 615 CB ILE A 41 1.834 5.020 0.032 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.513 3.944 -0.833 1.00 1.00 C ATOM 617 CG2 ILE A 41 1.863 6.395 -0.657 1.00 1.00 C ATOM 618 CD1 ILE A 41 1.716 3.544 -2.075 1.00 1.00 C ATOM 0 H ILE A 41 1.399 3.374 1.819 1.00 1.00 H new ATOM 0 HA ILE A 41 3.504 5.355 1.276 1.00 1.00 H new ATOM 0 HB ILE A 41 0.788 4.736 0.153 1.00 1.00 H new ATOM 0 HG12 ILE A 41 3.492 4.309 -1.145 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.683 3.057 -0.223 1.00 1.00 H new ATOM 0 HG21 ILE A 41 1.406 6.317 -1.643 1.00 1.00 H new ATOM 0 HG22 ILE A 41 1.308 7.115 -0.056 1.00 1.00 H new ATOM 0 HG23 ILE A 41 2.896 6.728 -0.761 1.00 1.00 H new ATOM 0 HD11 ILE A 41 2.264 2.782 -2.629 1.00 1.00 H new ATOM 0 HD12 ILE A 41 0.747 3.147 -1.773 1.00 1.00 H new ATOM 0 HD13 ILE A 41 1.568 4.418 -2.710 1.00 1.00 H new ATOM 630 N THR A 42 2.535 6.925 2.998 1.00 1.00 N ATOM 631 CA THR A 42 1.996 7.667 4.095 1.00 1.00 C ATOM 632 C THR A 42 2.099 9.141 3.907 1.00 1.00 C ATOM 633 O THR A 42 3.159 9.675 3.584 1.00 1.00 O ATOM 634 CB THR A 42 2.662 7.338 5.398 1.00 1.00 C ATOM 635 OG1 THR A 42 2.753 5.931 5.576 1.00 1.00 O ATOM 636 CG2 THR A 42 1.854 7.871 6.591 1.00 1.00 C ATOM 0 H THR A 42 3.530 7.082 2.836 1.00 1.00 H new ATOM 0 HA THR A 42 0.947 7.371 4.124 1.00 1.00 H new ATOM 0 HB THR A 42 3.649 7.800 5.362 1.00 1.00 H new ATOM 0 HG1 THR A 42 3.192 5.737 6.431 1.00 1.00 H new ATOM 0 HG21 THR A 42 2.365 7.615 7.520 1.00 1.00 H new ATOM 0 HG22 THR A 42 1.763 8.954 6.514 1.00 1.00 H new ATOM 0 HG23 THR A 42 0.861 7.422 6.588 1.00 1.00 H new ATOM 644 N PHE A 43 0.997 9.882 4.125 1.00 1.00 N ATOM 645 CA PHE A 43 0.932 11.303 3.975 1.00 1.00 C ATOM 646 C PHE A 43 1.049 11.989 5.291 1.00 1.00 C ATOM 647 O PHE A 43 1.017 11.369 6.354 1.00 1.00 O ATOM 648 CB PHE A 43 -0.362 11.773 3.290 1.00 1.00 C ATOM 649 CG PHE A 43 -0.897 10.765 2.333 1.00 1.00 C ATOM 650 CD1 PHE A 43 -0.286 10.513 1.126 1.00 1.00 C ATOM 651 CD2 PHE A 43 -1.984 10.008 2.705 1.00 1.00 C ATOM 652 CE1 PHE A 43 -0.733 9.493 0.320 1.00 1.00 C ATOM 653 CE2 PHE A 43 -2.413 8.963 1.921 1.00 1.00 C ATOM 654 CZ PHE A 43 -1.788 8.708 0.724 1.00 1.00 C ATOM 0 H PHE A 43 0.111 9.471 4.419 1.00 1.00 H new ATOM 0 HA PHE A 43 1.775 11.570 3.337 1.00 1.00 H new ATOM 0 HB2 PHE A 43 -1.115 11.985 4.049 1.00 1.00 H new ATOM 0 HB3 PHE A 43 -0.171 12.707 2.761 1.00 1.00 H new ATOM 0 HD1 PHE A 43 0.550 11.120 0.810 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -2.506 10.237 3.622 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -0.256 9.308 -0.631 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -3.238 8.345 2.245 1.00 1.00 H new ATOM 0 HZ PHE A 43 -2.125 7.892 0.101 1.00 1.00 H new ATOM 664 N GLU A 44 1.136 13.332 5.316 1.00 1.00 N ATOM 665 CA GLU A 44 1.263 14.109 6.509 1.00 1.00 C ATOM 666 C GLU A 44 0.016 14.156 7.322 1.00 1.00 C ATOM 667 O GLU A 44 0.007 14.390 8.530 1.00 1.00 O ATOM 668 CB GLU A 44 1.746 15.494 6.047 1.00 1.00 C ATOM 669 CG GLU A 44 0.724 16.626 5.913 1.00 1.00 C ATOM 670 CD GLU A 44 0.734 17.632 7.054 1.00 1.00 C ATOM 671 OE1 GLU A 44 1.585 17.522 7.978 1.00 1.00 O ATOM 672 OE2 GLU A 44 -0.118 18.561 7.030 1.00 1.00 O ATOM 0 H GLU A 44 1.117 13.899 4.468 1.00 1.00 H new ATOM 0 HA GLU A 44 1.977 13.656 7.196 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.515 15.825 6.745 1.00 1.00 H new ATOM 0 HB3 GLU A 44 2.228 15.369 5.078 1.00 1.00 H new ATOM 0 HG2 GLU A 44 0.910 17.156 4.979 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -0.272 16.190 5.840 1.00 1.00 H new ATOM 679 N ASN A 45 -1.114 13.832 6.667 1.00 1.00 N ATOM 680 CA ASN A 45 -2.405 13.618 7.241 1.00 1.00 C ATOM 681 C ASN A 45 -2.478 12.405 8.106 1.00 1.00 C ATOM 682 O ASN A 45 -3.365 12.289 8.949 1.00 1.00 O ATOM 683 CB ASN A 45 -3.369 13.505 6.050 1.00 1.00 C ATOM 684 CG ASN A 45 -4.818 13.236 6.429 1.00 1.00 C ATOM 685 OD1 ASN A 45 -5.281 12.099 6.349 1.00 1.00 O ATOM 686 ND2 ASN A 45 -5.553 14.291 6.873 1.00 1.00 N ATOM 0 H ASN A 45 -1.123 13.711 5.654 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.659 14.442 7.908 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.324 14.429 5.474 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -3.024 12.705 5.395 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -6.524 14.154 7.154 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -5.133 15.219 6.925 1.00 1.00 H new ATOM 693 N GLY A 46 -1.530 11.458 7.994 1.00 1.00 N ATOM 694 CA GLY A 46 -1.509 10.265 8.782 1.00 1.00 C ATOM 695 C GLY A 46 -2.202 9.112 8.141 1.00 1.00 C ATOM 696 O GLY A 46 -2.060 7.965 8.561 1.00 1.00 O ATOM 0 H GLY A 46 -0.754 11.524 7.335 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -0.473 9.990 8.981 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -1.976 10.468 9.746 1.00 1.00 H new ATOM 700 N SER A 47 -3.007 9.374 7.097 1.00 1.00 N ATOM 701 CA SER A 47 -3.622 8.364 6.292 1.00 1.00 C ATOM 702 C SER A 47 -2.649 7.783 5.326 1.00 1.00 C ATOM 703 O SER A 47 -1.540 8.291 5.162 1.00 1.00 O ATOM 704 CB SER A 47 -4.854 8.911 5.553 1.00 1.00 C ATOM 705 OG SER A 47 -5.961 9.005 6.440 1.00 1.00 O ATOM 0 H SER A 47 -3.238 10.323 6.802 1.00 1.00 H new ATOM 0 HA SER A 47 -3.955 7.571 6.961 1.00 1.00 H new ATOM 0 HB2 SER A 47 -4.630 9.893 5.135 1.00 1.00 H new ATOM 0 HB3 SER A 47 -5.104 8.258 4.717 1.00 1.00 H new ATOM 0 HG SER A 47 -6.112 9.944 6.676 1.00 1.00 H new ATOM 711 N LYS A 48 -3.003 6.659 4.676 1.00 1.00 N ATOM 712 CA LYS A 48 -2.021 5.845 4.029 1.00 1.00 C ATOM 713 C LYS A 48 -2.617 4.784 3.168 1.00 1.00 C ATOM 714 O LYS A 48 -3.757 4.363 3.358 1.00 1.00 O ATOM 715 CB LYS A 48 -1.087 5.185 5.056 1.00 1.00 C ATOM 716 CG LYS A 48 -1.794 4.271 6.060 1.00 1.00 C ATOM 717 CD LYS A 48 -0.912 3.873 7.246 1.00 1.00 C ATOM 718 CE LYS A 48 -0.885 4.938 8.344 1.00 1.00 C ATOM 719 NZ LYS A 48 0.061 4.557 9.418 1.00 1.00 N ATOM 0 H LYS A 48 -3.961 6.316 4.599 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.455 6.521 3.388 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -0.334 4.605 4.523 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -0.559 5.966 5.603 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -2.686 4.775 6.433 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -2.128 3.369 5.547 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -1.275 2.934 7.665 1.00 1.00 H new ATOM 0 HD3 LYS A 48 0.104 3.694 6.894 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -0.593 5.898 7.919 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -1.884 5.064 8.760 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 0.065 5.292 10.154 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -0.234 3.651 9.835 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 1.017 4.460 9.020 1.00 1.00 H new ATOM 733 N ILE A 49 -1.830 4.295 2.193 1.00 1.00 N ATOM 734 CA ILE A 49 -2.129 3.170 1.362 1.00 1.00 C ATOM 735 C ILE A 49 -1.358 2.010 1.889 1.00 1.00 C ATOM 736 O ILE A 49 -0.182 2.145 2.226 1.00 1.00 O ATOM 737 CB ILE A 49 -1.719 3.334 -0.072 1.00 1.00 C ATOM 738 CG1 ILE A 49 -1.900 4.769 -0.598 1.00 1.00 C ATOM 739 CG2 ILE A 49 -2.436 2.307 -0.964 1.00 1.00 C ATOM 740 CD1 ILE A 49 -3.341 5.276 -0.621 1.00 1.00 C ATOM 0 H ILE A 49 -0.926 4.713 1.971 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.211 3.043 1.385 1.00 1.00 H new ATOM 0 HB ILE A 49 -0.647 3.140 -0.114 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -1.304 5.443 0.018 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -1.497 4.822 -1.609 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -2.124 2.444 -1.999 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -2.179 1.299 -0.638 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -3.514 2.449 -0.888 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -3.362 6.295 -1.007 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.943 4.632 -1.262 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.748 5.263 0.390 1.00 1.00 H new ATOM 752 N ILE A 50 -1.980 0.820 1.970 1.00 1.00 N ATOM 753 CA ILE A 50 -1.396 -0.378 2.489 1.00 1.00 C ATOM 754 C ILE A 50 -1.193 -1.350 1.379 1.00 1.00 C ATOM 755 O ILE A 50 -2.151 -1.817 0.765 1.00 1.00 O ATOM 756 CB ILE A 50 -2.295 -1.046 3.487 1.00 1.00 C ATOM 757 CG1 ILE A 50 -2.945 -0.089 4.502 1.00 1.00 C ATOM 758 CG2 ILE A 50 -1.563 -2.190 4.209 1.00 1.00 C ATOM 759 CD1 ILE A 50 -1.960 0.658 5.399 1.00 1.00 C ATOM 0 H ILE A 50 -2.942 0.687 1.657 1.00 1.00 H new ATOM 0 HA ILE A 50 -0.457 -0.097 2.966 1.00 1.00 H new ATOM 0 HB ILE A 50 -3.119 -1.454 2.902 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -3.546 0.641 3.959 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -3.628 -0.659 5.132 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -2.237 -2.657 4.927 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -1.239 -2.932 3.479 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.694 -1.792 4.733 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -2.509 1.308 6.080 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.375 -0.060 5.974 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -1.292 1.260 4.783 1.00 1.00 H new ATOM 771 N ILE A 51 0.064 -1.723 1.078 1.00 1.00 N ATOM 772 CA ILE A 51 0.411 -2.655 0.052 1.00 1.00 C ATOM 773 C ILE A 51 1.247 -3.757 0.603 1.00 1.00 C ATOM 774 O ILE A 51 2.284 -3.548 1.232 1.00 1.00 O ATOM 775 CB ILE A 51 1.101 -2.011 -1.115 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.262 -0.785 -1.511 1.00 1.00 C ATOM 777 CG2 ILE A 51 1.254 -3.040 -2.247 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.485 -0.293 -2.941 1.00 1.00 C ATOM 0 H ILE A 51 0.876 -1.357 1.574 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.527 -3.066 -0.322 1.00 1.00 H new ATOM 0 HB ILE A 51 2.110 -1.676 -0.874 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.793 -1.028 -1.385 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.486 0.029 -0.822 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.755 -2.575 -3.096 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.846 -3.884 -1.894 1.00 1.00 H new ATOM 0 HG23 ILE A 51 0.269 -3.392 -2.555 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -0.148 0.574 -3.130 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.531 -0.014 -3.071 1.00 1.00 H new ATOM 0 HD13 ILE A 51 0.232 -1.088 -3.643 1.00 1.00 H new ATOM 790 N ASN A 52 0.786 -5.002 0.391 1.00 1.00 N ATOM 791 CA ASN A 52 1.327 -6.206 0.940 1.00 1.00 C ATOM 792 C ASN A 52 0.749 -7.266 0.067 1.00 1.00 C ATOM 793 O ASN A 52 -0.046 -7.001 -0.835 1.00 1.00 O ATOM 794 CB ASN A 52 0.984 -6.317 2.435 1.00 1.00 C ATOM 795 CG ASN A 52 1.395 -7.616 3.113 1.00 1.00 C ATOM 796 OD1 ASN A 52 2.428 -8.207 2.804 1.00 1.00 O ATOM 797 ND2 ASN A 52 0.560 -8.089 4.076 1.00 1.00 N ATOM 0 H ASN A 52 -0.022 -5.179 -0.206 1.00 1.00 H new ATOM 0 HA ASN A 52 2.415 -6.270 0.938 1.00 1.00 H new ATOM 0 HB2 ASN A 52 1.459 -5.489 2.960 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -0.093 -6.193 2.552 1.00 1.00 H new ATOM 0 HD21 ASN A 52 0.784 -8.956 4.564 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -0.290 -7.576 4.311 1.00 1.00 H new ATOM 804 N ARG A 53 1.196 -8.522 0.248 1.00 1.00 N ATOM 805 CA ARG A 53 1.084 -9.532 -0.756 1.00 1.00 C ATOM 806 C ARG A 53 0.713 -10.859 -0.186 1.00 1.00 C ATOM 807 O ARG A 53 0.977 -11.179 0.972 1.00 1.00 O ATOM 808 CB ARG A 53 2.417 -9.539 -1.522 1.00 1.00 C ATOM 809 CG ARG A 53 3.656 -9.219 -0.682 1.00 1.00 C ATOM 810 CD ARG A 53 4.990 -9.330 -1.424 1.00 1.00 C ATOM 811 NE ARG A 53 5.468 -10.735 -1.291 1.00 1.00 N ATOM 812 CZ ARG A 53 6.792 -11.059 -1.217 1.00 1.00 C ATOM 813 NH1 ARG A 53 7.771 -10.159 -1.530 1.00 1.00 N ATOM 814 NH2 ARG A 53 7.172 -12.299 -0.793 1.00 1.00 N ATOM 0 H ARG A 53 1.643 -8.841 1.108 1.00 1.00 H new ATOM 0 HA ARG A 53 0.267 -9.312 -1.444 1.00 1.00 H new ATOM 0 HB2 ARG A 53 2.550 -10.520 -1.977 1.00 1.00 H new ATOM 0 HB3 ARG A 53 2.353 -8.816 -2.336 1.00 1.00 H new ATOM 0 HG2 ARG A 53 3.559 -8.206 -0.291 1.00 1.00 H new ATOM 0 HG3 ARG A 53 3.678 -9.891 0.176 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.866 -9.066 -2.474 1.00 1.00 H new ATOM 0 HD3 ARG A 53 5.719 -8.637 -1.005 1.00 1.00 H new ATOM 0 HE ARG A 53 4.778 -11.485 -1.254 1.00 1.00 H new ATOM 0 HH11 ARG A 53 7.521 -9.216 -1.828 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.752 -10.430 -1.465 1.00 1.00 H new ATOM 0 HH21 ARG A 53 6.466 -12.987 -0.530 1.00 1.00 H new ATOM 0 HH22 ARG A 53 8.162 -12.538 -0.739 1.00 1.00 H new ATOM 828 N GLN A 54 0.010 -11.660 -1.006 1.00 1.00 N ATOM 829 CA GLN A 54 -0.670 -12.849 -0.595 1.00 1.00 C ATOM 830 C GLN A 54 0.072 -14.044 -1.088 1.00 1.00 C ATOM 831 O GLN A 54 1.148 -14.376 -0.592 1.00 1.00 O ATOM 832 CB GLN A 54 -2.088 -12.776 -1.182 1.00 1.00 C ATOM 833 CG GLN A 54 -2.984 -11.691 -0.583 1.00 1.00 C ATOM 834 CD GLN A 54 -3.571 -12.120 0.756 1.00 1.00 C ATOM 835 OE1 GLN A 54 -2.881 -12.459 1.716 1.00 1.00 O ATOM 836 NE2 GLN A 54 -4.929 -12.103 0.834 1.00 1.00 N ATOM 0 H GLN A 54 -0.089 -11.469 -2.003 1.00 1.00 H new ATOM 0 HA GLN A 54 -0.725 -12.933 0.490 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -2.011 -12.610 -2.256 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -2.572 -13.743 -1.043 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -2.408 -10.775 -0.451 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -3.792 -11.462 -1.278 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -5.483 -11.819 0.026 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -5.394 -12.375 1.700 1.00 1.00 H new ATOM 845 N GLU A 55 -0.478 -14.754 -2.089 1.00 1.00 N ATOM 846 CA GLU A 55 0.038 -16.007 -2.546 1.00 1.00 C ATOM 847 C GLU A 55 1.216 -15.853 -3.444 1.00 1.00 C ATOM 848 O GLU A 55 1.134 -15.037 -4.360 1.00 1.00 O ATOM 849 CB GLU A 55 -1.011 -16.809 -3.336 1.00 1.00 C ATOM 850 CG GLU A 55 -2.391 -16.948 -2.691 1.00 1.00 C ATOM 851 CD GLU A 55 -2.396 -17.733 -1.386 1.00 1.00 C ATOM 852 OE1 GLU A 55 -2.009 -18.931 -1.384 1.00 1.00 O ATOM 853 OE2 GLU A 55 -2.832 -17.157 -0.354 1.00 1.00 O ATOM 0 H GLU A 55 -1.308 -14.447 -2.596 1.00 1.00 H new ATOM 0 HA GLU A 55 0.326 -16.531 -1.635 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -1.136 -16.339 -4.312 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -0.614 -17.809 -3.512 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -2.794 -15.953 -2.504 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -3.062 -17.436 -3.398 1.00 1.00 H new ATOM 860 N PRO A 56 2.284 -16.588 -3.337 1.00 1.00 N ATOM 861 CA PRO A 56 3.264 -16.708 -4.377 1.00 1.00 C ATOM 862 C PRO A 56 2.783 -17.541 -5.514 1.00 1.00 C ATOM 863 O PRO A 56 3.352 -18.584 -5.833 1.00 1.00 O ATOM 864 CB PRO A 56 4.486 -17.291 -3.671 1.00 1.00 C ATOM 865 CG PRO A 56 3.897 -18.148 -2.538 1.00 1.00 C ATOM 866 CD PRO A 56 2.635 -17.358 -2.154 1.00 1.00 C ATOM 0 HA PRO A 56 3.494 -15.753 -4.849 1.00 1.00 H new ATOM 0 HB2 PRO A 56 5.090 -17.892 -4.351 1.00 1.00 H new ATOM 0 HB3 PRO A 56 5.132 -16.505 -3.280 1.00 1.00 H new ATOM 0 HG2 PRO A 56 3.659 -19.158 -2.873 1.00 1.00 H new ATOM 0 HG3 PRO A 56 4.587 -18.245 -1.700 1.00 1.00 H new ATOM 0 HD2 PRO A 56 1.825 -18.028 -1.867 1.00 1.00 H new ATOM 0 HD3 PRO A 56 2.825 -16.705 -1.302 1.00 1.00 H new ATOM 874 N LEU A 57 1.712 -17.064 -6.174 1.00 1.00 N ATOM 875 CA LEU A 57 1.230 -17.469 -7.457 1.00 1.00 C ATOM 876 C LEU A 57 1.295 -16.207 -8.249 1.00 1.00 C ATOM 877 O LEU A 57 2.360 -15.717 -8.620 1.00 1.00 O ATOM 878 CB LEU A 57 -0.209 -18.011 -7.434 1.00 1.00 C ATOM 879 CG LEU A 57 -0.364 -19.246 -6.530 1.00 1.00 C ATOM 880 CD1 LEU A 57 -1.843 -19.625 -6.347 1.00 1.00 C ATOM 881 CD2 LEU A 57 0.448 -20.460 -7.010 1.00 1.00 C ATOM 0 H LEU A 57 1.133 -16.328 -5.770 1.00 1.00 H new ATOM 0 HA LEU A 57 1.818 -18.293 -7.862 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -0.883 -17.227 -7.089 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -0.512 -18.268 -8.449 1.00 1.00 H new ATOM 0 HG LEU A 57 0.048 -18.957 -5.563 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -1.917 -20.501 -5.703 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -2.378 -18.793 -5.890 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -2.284 -19.850 -7.318 1.00 1.00 H new ATOM 0 HD21 LEU A 57 0.292 -21.295 -6.327 1.00 1.00 H new ATOM 0 HD22 LEU A 57 0.121 -20.744 -8.010 1.00 1.00 H new ATOM 0 HD23 LEU A 57 1.507 -20.203 -7.034 1.00 1.00 H new ATOM 893 N HIS A 58 0.121 -15.581 -8.446 1.00 1.00 N ATOM 894 CA HIS A 58 -0.025 -14.201 -8.788 1.00 1.00 C ATOM 895 C HIS A 58 -1.066 -13.644 -7.878 1.00 1.00 C ATOM 896 O HIS A 58 -2.248 -13.746 -8.205 1.00 1.00 O ATOM 897 CB HIS A 58 -0.546 -13.981 -10.218 1.00 1.00 C ATOM 898 CG HIS A 58 0.369 -14.353 -11.347 1.00 1.00 C ATOM 899 ND1 HIS A 58 1.597 -14.938 -11.375 1.00 1.00 N flip ATOM 900 CD2 HIS A 58 0.018 -14.128 -12.652 1.00 1.00 C flip ATOM 901 CE1 HIS A 58 1.956 -15.046 -12.692 1.00 1.00 C flip ATOM 902 NE2 HIS A 58 0.987 -14.556 -13.441 1.00 1.00 N flip ATOM 0 H HIS A 58 -0.773 -16.064 -8.362 1.00 1.00 H new ATOM 0 HA HIS A 58 0.955 -13.731 -8.704 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -1.470 -14.548 -10.332 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -0.803 -12.927 -10.325 1.00 1.00 H new ATOM 0 HD1 HIS A 58 2.145 -15.239 -10.569 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -0.904 -13.673 -12.983 1.00 1.00 H new ATOM 0 HE1 HIS A 58 2.882 -15.464 -13.058 1.00 1.00 H new ATOM 910 N GLN A 59 -0.745 -13.070 -6.705 1.00 1.00 N ATOM 911 CA GLN A 59 -1.731 -12.409 -5.910 1.00 1.00 C ATOM 912 C GLN A 59 -1.173 -11.425 -4.940 1.00 1.00 C ATOM 913 O GLN A 59 -0.369 -11.742 -4.063 1.00 1.00 O ATOM 914 CB GLN A 59 -2.572 -13.414 -5.104 1.00 1.00 C ATOM 915 CG GLN A 59 -3.960 -12.939 -4.669 1.00 1.00 C ATOM 916 CD GLN A 59 -4.674 -14.090 -3.975 1.00 1.00 C ATOM 917 OE1 GLN A 59 -4.612 -14.249 -2.757 1.00 1.00 O ATOM 918 NE2 GLN A 59 -5.339 -14.958 -4.783 1.00 1.00 N ATOM 0 H GLN A 59 0.195 -13.064 -6.308 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.340 -11.873 -6.638 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -2.691 -14.318 -5.702 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -2.011 -13.693 -4.212 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -3.874 -12.087 -3.995 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -4.533 -12.605 -5.534 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -5.370 -14.796 -5.790 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -5.806 -15.771 -4.383 1.00 1.00 H new ATOM 927 N VAL A 60 -1.611 -10.160 -5.048 1.00 1.00 N ATOM 928 CA VAL A 60 -1.213 -9.040 -4.253 1.00 1.00 C ATOM 929 C VAL A 60 -2.422 -8.287 -3.817 1.00 1.00 C ATOM 930 O VAL A 60 -3.493 -8.406 -4.411 1.00 1.00 O ATOM 931 CB VAL A 60 -0.215 -8.189 -4.982 1.00 1.00 C ATOM 932 CG1 VAL A 60 0.230 -6.919 -4.235 1.00 1.00 C ATOM 933 CG2 VAL A 60 1.054 -9.026 -5.213 1.00 1.00 C ATOM 0 H VAL A 60 -2.302 -9.899 -5.751 1.00 1.00 H new ATOM 0 HA VAL A 60 -0.703 -9.387 -3.354 1.00 1.00 H new ATOM 0 HB VAL A 60 -0.715 -7.870 -5.896 1.00 1.00 H new ATOM 0 HG11 VAL A 60 0.951 -6.373 -4.843 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.637 -6.287 -4.044 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.692 -7.197 -3.288 1.00 1.00 H new ATOM 0 HG21 VAL A 60 1.794 -8.426 -5.742 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.462 -9.341 -4.253 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.807 -9.905 -5.808 1.00 1.00 H new ATOM 943 N TRP A 61 -2.341 -7.502 -2.727 1.00 1.00 N ATOM 944 CA TRP A 61 -3.397 -6.792 -2.077 1.00 1.00 C ATOM 945 C TRP A 61 -3.210 -5.327 -2.267 1.00 1.00 C ATOM 946 O TRP A 61 -2.080 -4.894 -2.491 1.00 1.00 O ATOM 947 CB TRP A 61 -3.481 -7.255 -0.612 1.00 1.00 C ATOM 948 CG TRP A 61 -3.328 -6.268 0.520 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.354 -5.320 0.649 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.197 -6.097 1.657 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.604 -4.509 1.726 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.716 -4.994 2.372 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.308 -6.782 2.068 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -4.354 -4.576 3.507 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -5.936 -6.353 3.213 1.00 1.00 C ATOM 956 CH2 TRP A 61 -5.468 -5.270 3.918 1.00 1.00 C ATOM 0 H TRP A 61 -1.448 -7.352 -2.258 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.368 -7.015 -2.520 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.448 -7.741 -0.485 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -2.718 -8.021 -0.474 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.502 -5.222 -0.008 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -2.061 -3.690 1.999 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -5.679 -7.630 1.512 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -3.993 -3.725 4.065 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -6.813 -6.876 3.565 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -5.986 -4.958 4.813 1.00 1.00 H new ATOM 967 N LEU A 62 -4.256 -4.486 -2.189 1.00 1.00 N ATOM 968 CA LEU A 62 -4.054 -3.137 -1.754 1.00 1.00 C ATOM 969 C LEU A 62 -5.236 -2.539 -1.071 1.00 1.00 C ATOM 970 O LEU A 62 -6.385 -2.642 -1.495 1.00 1.00 O ATOM 971 CB LEU A 62 -3.450 -2.175 -2.789 1.00 1.00 C ATOM 972 CG LEU A 62 -4.359 -1.560 -3.867 1.00 1.00 C ATOM 973 CD1 LEU A 62 -3.639 -0.362 -4.508 1.00 1.00 C ATOM 974 CD2 LEU A 62 -4.718 -2.596 -4.946 1.00 1.00 C ATOM 0 H LEU A 62 -5.219 -4.730 -2.420 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.272 -3.260 -1.004 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -2.989 -1.353 -2.242 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -2.648 -2.707 -3.301 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.286 -1.230 -3.398 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.277 0.079 -5.273 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -3.421 0.383 -3.743 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -2.707 -0.698 -4.963 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -5.361 -2.134 -5.695 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -3.806 -2.955 -5.423 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -5.241 -3.434 -4.486 1.00 1.00 H new ATOM 986 N ALA A 63 -4.970 -1.879 0.072 1.00 1.00 N ATOM 987 CA ALA A 63 -5.940 -1.235 0.900 1.00 1.00 C ATOM 988 C ALA A 63 -5.724 0.229 1.078 1.00 1.00 C ATOM 989 O ALA A 63 -4.605 0.740 1.051 1.00 1.00 O ATOM 990 CB ALA A 63 -6.059 -1.927 2.268 1.00 1.00 C ATOM 0 H ALA A 63 -4.022 -1.791 0.437 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.881 -1.338 0.359 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.805 -1.412 2.873 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -6.361 -2.965 2.126 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -5.095 -1.896 2.777 1.00 1.00 H new ATOM 996 N THR A 64 -6.829 0.983 1.216 1.00 1.00 N ATOM 997 CA THR A 64 -6.891 2.410 1.253 1.00 1.00 C ATOM 998 C THR A 64 -8.078 2.907 2.003 1.00 1.00 C ATOM 999 O THR A 64 -8.554 2.266 2.939 1.00 1.00 O ATOM 1000 CB THR A 64 -6.714 2.998 -0.116 1.00 1.00 C ATOM 1001 OG1 THR A 64 -6.637 4.416 -0.142 1.00 1.00 O ATOM 1002 CG2 THR A 64 -7.831 2.548 -1.071 1.00 1.00 C ATOM 0 H THR A 64 -7.752 0.559 1.309 1.00 1.00 H new ATOM 0 HA THR A 64 -6.043 2.774 1.833 1.00 1.00 H new ATOM 0 HB THR A 64 -5.749 2.615 -0.449 1.00 1.00 H new ATOM 0 HG1 THR A 64 -6.195 4.735 0.673 1.00 1.00 H new ATOM 0 HG21 THR A 64 -7.671 2.993 -2.053 1.00 1.00 H new ATOM 0 HG22 THR A 64 -7.819 1.462 -1.158 1.00 1.00 H new ATOM 0 HG23 THR A 64 -8.796 2.870 -0.680 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.626 4.081 1.639 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.683 4.831 2.243 1.00 1.00 C ATOM 1012 C LYS A 65 -11.003 4.140 2.246 1.00 1.00 C ATOM 1013 O LYS A 65 -11.627 3.967 3.292 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.825 6.200 1.555 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.199 7.360 2.476 1.00 1.00 C ATOM 1016 CD LYS A 65 -11.622 7.361 3.040 1.00 1.00 C ATOM 1017 CE LYS A 65 -12.008 8.672 3.729 1.00 1.00 C ATOM 1018 NZ LYS A 65 -11.236 8.881 4.975 1.00 1.00 N ATOM 0 H LYS A 65 -8.277 4.563 0.811 1.00 1.00 H new ATOM 0 HA LYS A 65 -9.395 4.950 3.288 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -8.883 6.439 1.062 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.582 6.119 0.775 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -9.501 7.368 3.314 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -10.050 8.291 1.928 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -12.325 7.165 2.230 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -11.722 6.543 3.753 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -11.835 9.506 3.049 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -13.074 8.663 3.958 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -11.523 9.778 5.415 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -11.421 8.098 5.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -10.221 8.914 4.753 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.472 3.687 1.068 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.746 3.061 0.902 1.00 1.00 C ATOM 1034 C GLN A 66 -12.699 1.617 1.265 1.00 1.00 C ATOM 1035 O GLN A 66 -13.672 0.873 1.150 1.00 1.00 O ATOM 1036 CB GLN A 66 -13.207 3.237 -0.555 1.00 1.00 C ATOM 1037 CG GLN A 66 -14.713 3.091 -0.776 1.00 1.00 C ATOM 1038 CD GLN A 66 -15.062 3.037 -2.256 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -14.732 2.083 -2.959 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -15.774 4.073 -2.774 1.00 1.00 N ATOM 0 H GLN A 66 -10.943 3.760 0.199 1.00 1.00 H new ATOM 0 HA GLN A 66 -13.459 3.538 1.574 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -12.897 4.223 -0.902 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -12.691 2.504 -1.175 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -15.067 2.184 -0.285 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -15.232 3.929 -0.310 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -16.040 4.857 -2.178 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -16.042 4.066 -3.758 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.526 1.143 1.722 1.00 1.00 N ATOM 1050 CA GLY A 67 -11.265 -0.219 2.071 1.00 1.00 C ATOM 1051 C GLY A 67 -10.200 -0.716 1.155 1.00 1.00 C ATOM 1052 O GLY A 67 -9.045 -0.872 1.547 1.00 1.00 O ATOM 0 H GLY A 67 -10.714 1.745 1.855 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -10.944 -0.295 3.110 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -12.168 -0.821 1.972 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.563 -0.946 -0.120 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.696 -1.493 -1.117 1.00 1.00 C ATOM 1058 C GLY A 68 -10.021 -2.910 -1.439 1.00 1.00 C ATOM 1059 O GLY A 68 -11.021 -3.470 -0.993 1.00 1.00 O ATOM 0 H GLY A 68 -11.499 -0.742 -0.470 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -9.766 -0.892 -2.024 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -8.664 -1.430 -0.771 1.00 1.00 H new ATOM 1063 N TYR A 69 -9.168 -3.540 -2.266 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.403 -4.849 -2.793 1.00 1.00 C ATOM 1065 C TYR A 69 -8.095 -5.372 -3.279 1.00 1.00 C ATOM 1066 O TYR A 69 -7.095 -4.658 -3.351 1.00 1.00 O ATOM 1067 CB TYR A 69 -10.445 -4.835 -3.924 1.00 1.00 C ATOM 1068 CG TYR A 69 -11.439 -5.931 -3.749 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -11.209 -7.173 -4.293 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -12.593 -5.723 -3.030 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -12.111 -8.194 -4.110 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -13.506 -6.734 -2.851 1.00 1.00 C ATOM 1073 CZ TYR A 69 -13.255 -7.981 -3.378 1.00 1.00 C ATOM 1074 OH TYR A 69 -14.140 -9.059 -3.159 1.00 1.00 O ATOM 0 H TYR A 69 -8.289 -3.127 -2.578 1.00 1.00 H new ATOM 0 HA TYR A 69 -9.812 -5.493 -2.014 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -10.958 -3.873 -3.939 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -9.944 -4.944 -4.886 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -10.312 -7.348 -4.869 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -12.784 -4.751 -2.600 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -11.921 -9.165 -4.542 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -14.416 -6.551 -2.299 1.00 1.00 H new ATOM 0 HH TYR A 69 -14.902 -8.753 -2.624 1.00 1.00 H new ATOM 1084 N HIS A 70 -8.017 -6.668 -3.630 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.833 -7.219 -4.214 1.00 1.00 C ATOM 1086 C HIS A 70 -6.672 -6.944 -5.669 1.00 1.00 C ATOM 1087 O HIS A 70 -7.581 -6.543 -6.395 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.626 -8.702 -3.862 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.829 -9.562 -4.119 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -8.200 -9.968 -5.374 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -8.765 -10.040 -3.257 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -9.316 -10.666 -5.278 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -9.687 -10.713 -4.012 1.00 1.00 N ATOM 0 H HIS A 70 -8.777 -7.337 -3.509 1.00 1.00 H new ATOM 0 HA HIS A 70 -6.019 -6.670 -3.741 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.786 -9.088 -4.439 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.353 -8.781 -2.810 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -7.698 -9.765 -6.238 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -8.778 -9.913 -2.185 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -9.841 -11.125 -6.103 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.399 -7.084 -6.078 1.00 1.00 N ATOM 1102 CA PHE A 71 -4.786 -6.521 -7.242 1.00 1.00 C ATOM 1103 C PHE A 71 -4.474 -7.651 -8.160 1.00 1.00 C ATOM 1104 O PHE A 71 -3.642 -8.498 -7.839 1.00 1.00 O ATOM 1105 CB PHE A 71 -3.511 -5.903 -6.643 1.00 1.00 C ATOM 1106 CG PHE A 71 -2.667 -5.099 -7.571 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -3.105 -3.863 -7.984 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -1.407 -5.520 -7.922 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -2.301 -3.061 -8.760 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -0.596 -4.724 -8.697 1.00 1.00 C ATOM 1111 CZ PHE A 71 -1.046 -3.497 -9.120 1.00 1.00 C ATOM 0 H PHE A 71 -4.737 -7.645 -5.542 1.00 1.00 H new ATOM 0 HA PHE A 71 -5.374 -5.798 -7.807 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -3.800 -5.267 -5.806 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -2.900 -6.708 -6.236 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -4.088 -3.519 -7.697 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -1.051 -6.483 -7.587 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -2.653 -2.093 -9.086 1.00 1.00 H new ATOM 0 HE2 PHE A 71 0.392 -5.063 -8.972 1.00 1.00 H new ATOM 0 HZ PHE A 71 -0.414 -2.874 -9.736 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.132 -7.721 -9.331 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.987 -8.837 -10.213 1.00 1.00 C ATOM 1123 C ASP A 72 -4.791 -8.373 -11.616 1.00 1.00 C ATOM 1124 O ASP A 72 -5.137 -7.251 -11.983 1.00 1.00 O ATOM 1125 CB ASP A 72 -6.130 -9.856 -10.077 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.263 -10.473 -8.693 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -6.857 -9.883 -7.752 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -5.787 -11.632 -8.543 1.00 1.00 O ATOM 0 H ASP A 72 -5.769 -6.999 -9.669 1.00 1.00 H new ATOM 0 HA ASP A 72 -4.088 -9.377 -9.916 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.069 -9.366 -10.334 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -5.977 -10.654 -10.804 1.00 1.00 H new ATOM 1133 N LEU A 73 -4.151 -9.186 -12.474 1.00 1.00 N ATOM 1134 CA LEU A 73 -3.659 -8.763 -13.749 1.00 1.00 C ATOM 1135 C LEU A 73 -4.606 -9.100 -14.849 1.00 1.00 C ATOM 1136 O LEU A 73 -5.140 -10.204 -14.943 1.00 1.00 O ATOM 1137 CB LEU A 73 -2.265 -9.370 -13.976 1.00 1.00 C ATOM 1138 CG LEU A 73 -1.494 -8.859 -15.205 1.00 1.00 C ATOM 1139 CD1 LEU A 73 0.009 -8.769 -14.895 1.00 1.00 C ATOM 1140 CD2 LEU A 73 -1.698 -9.758 -16.434 1.00 1.00 C ATOM 0 H LEU A 73 -3.970 -10.170 -12.275 1.00 1.00 H new ATOM 0 HA LEU A 73 -3.573 -7.676 -13.755 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.660 -9.181 -13.089 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -2.372 -10.451 -14.064 1.00 1.00 H new ATOM 0 HG LEU A 73 -1.890 -7.870 -15.436 1.00 1.00 H new ATOM 0 HD11 LEU A 73 0.541 -8.406 -15.774 1.00 1.00 H new ATOM 0 HD12 LEU A 73 0.169 -8.081 -14.065 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.385 -9.756 -14.626 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -1.134 -9.357 -17.276 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -1.348 -10.766 -16.210 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.757 -9.791 -16.689 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.868 -8.129 -15.743 1.00 1.00 N ATOM 1153 CA LYS A 74 -5.661 -8.314 -16.918 1.00 1.00 C ATOM 1154 C LYS A 74 -4.770 -8.449 -18.105 1.00 1.00 C ATOM 1155 O LYS A 74 -4.800 -9.450 -18.819 1.00 1.00 O ATOM 1156 CB LYS A 74 -6.617 -7.113 -17.031 1.00 1.00 C ATOM 1157 CG LYS A 74 -7.562 -7.165 -18.231 1.00 1.00 C ATOM 1158 CD LYS A 74 -8.642 -6.084 -18.144 1.00 1.00 C ATOM 1159 CE LYS A 74 -9.873 -6.314 -19.025 1.00 1.00 C ATOM 1160 NZ LYS A 74 -9.505 -6.407 -20.456 1.00 1.00 N ATOM 0 H LYS A 74 -4.513 -7.178 -15.643 1.00 1.00 H new ATOM 0 HA LYS A 74 -6.254 -9.227 -16.865 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -7.211 -7.051 -16.119 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -6.026 -6.199 -17.089 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -6.991 -7.037 -19.151 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -8.032 -8.147 -18.282 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -8.968 -6.003 -17.107 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -8.197 -5.127 -18.414 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -10.376 -7.231 -18.717 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -10.582 -5.498 -18.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -10.363 -6.546 -21.027 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -9.032 -5.529 -20.750 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -8.861 -7.212 -20.597 1.00 1.00 H new ATOM 1174 N GLY A 75 -3.900 -7.452 -18.345 1.00 1.00 N ATOM 1175 CA GLY A 75 -2.940 -7.517 -19.404 1.00 1.00 C ATOM 1176 C GLY A 75 -1.783 -6.616 -19.143 1.00 1.00 C ATOM 1177 O GLY A 75 -0.872 -6.950 -18.387 1.00 1.00 O ATOM 0 H GLY A 75 -3.862 -6.591 -17.799 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -2.587 -8.542 -19.515 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -3.415 -7.239 -20.345 1.00 1.00 H new ATOM 1181 N ASP A 76 -1.797 -5.399 -19.718 1.00 1.00 N ATOM 1182 CA ASP A 76 -0.757 -4.432 -19.555 1.00 1.00 C ATOM 1183 C ASP A 76 -1.012 -3.552 -18.380 1.00 1.00 C ATOM 1184 O ASP A 76 -0.433 -2.476 -18.237 1.00 1.00 O ATOM 1185 CB ASP A 76 -0.692 -3.514 -20.787 1.00 1.00 C ATOM 1186 CG ASP A 76 -0.584 -4.292 -22.091 1.00 1.00 C ATOM 1187 OD1 ASP A 76 0.448 -4.974 -22.332 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -1.522 -4.169 -22.923 1.00 1.00 O ATOM 0 H ASP A 76 -2.558 -5.078 -20.316 1.00 1.00 H new ATOM 0 HA ASP A 76 0.172 -4.986 -19.418 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -1.583 -2.886 -20.815 1.00 1.00 H new ATOM 0 HB3 ASP A 76 0.165 -2.847 -20.694 1.00 1.00 H new ATOM 1193 N GLU A 77 -1.922 -3.964 -17.479 1.00 1.00 N ATOM 1194 CA GLU A 77 -2.551 -3.098 -16.530 1.00 1.00 C ATOM 1195 C GLU A 77 -3.165 -4.070 -15.581 1.00 1.00 C ATOM 1196 O GLU A 77 -3.745 -5.080 -15.974 1.00 1.00 O ATOM 1197 CB GLU A 77 -3.574 -2.166 -17.199 1.00 1.00 C ATOM 1198 CG GLU A 77 -4.143 -1.048 -16.321 1.00 1.00 C ATOM 1199 CD GLU A 77 -4.946 -0.057 -17.151 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -5.878 -0.502 -17.874 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -4.643 1.166 -17.128 1.00 1.00 O ATOM 0 H GLU A 77 -2.231 -4.934 -17.409 1.00 1.00 H new ATOM 0 HA GLU A 77 -1.871 -2.403 -16.037 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -3.105 -1.712 -18.072 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -4.404 -2.772 -17.563 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -4.778 -1.477 -15.546 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -3.329 -0.529 -15.815 1.00 1.00 H new ATOM 1208 N TRP A 78 -2.959 -3.818 -14.277 1.00 1.00 N ATOM 1209 CA TRP A 78 -3.558 -4.589 -13.230 1.00 1.00 C ATOM 1210 C TRP A 78 -4.883 -3.964 -12.955 1.00 1.00 C ATOM 1211 O TRP A 78 -5.061 -2.754 -13.084 1.00 1.00 O ATOM 1212 CB TRP A 78 -2.665 -4.647 -11.980 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.334 -5.346 -12.142 1.00 1.00 C ATOM 1214 CD1 TRP A 78 -0.220 -4.951 -12.824 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -0.961 -6.541 -11.432 1.00 1.00 C ATOM 1216 NE1 TRP A 78 0.814 -5.820 -12.597 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.385 -6.793 -11.726 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.649 -7.344 -10.565 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.037 -7.850 -11.152 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.981 -8.393 -9.982 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.342 -8.640 -10.267 1.00 1.00 C ATOM 0 H TRP A 78 -2.363 -3.062 -13.941 1.00 1.00 H new ATOM 0 HA TRP A 78 -3.683 -5.629 -13.531 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -2.478 -3.627 -11.645 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -3.220 -5.146 -11.186 1.00 1.00 H new ATOM 0 HD1 TRP A 78 -0.162 -4.076 -13.454 1.00 1.00 H new ATOM 0 HE1 TRP A 78 1.746 -5.756 -13.006 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.690 -7.158 -10.345 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.070 -8.058 -11.388 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -1.503 -9.035 -9.288 1.00 1.00 H new ATOM 0 HH2 TRP A 78 0.843 -9.468 -9.788 1.00 1.00 H new ATOM 1232 N ILE A 79 -5.907 -4.767 -12.616 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.194 -4.297 -12.209 1.00 1.00 C ATOM 1234 C ILE A 79 -7.246 -4.428 -10.726 1.00 1.00 C ATOM 1235 O ILE A 79 -6.400 -5.067 -10.103 1.00 1.00 O ATOM 1236 CB ILE A 79 -8.315 -5.044 -12.870 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.477 -6.500 -12.401 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -8.098 -4.918 -14.388 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -9.492 -7.321 -13.195 1.00 1.00 C ATOM 0 H ILE A 79 -5.835 -5.784 -12.626 1.00 1.00 H new ATOM 0 HA ILE A 79 -7.328 -3.260 -12.516 1.00 1.00 H new ATOM 0 HB ILE A 79 -9.266 -4.598 -12.577 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -7.507 -6.995 -12.457 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -8.774 -6.498 -11.352 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -8.892 -5.448 -14.914 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -8.114 -3.866 -14.672 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -7.134 -5.351 -14.655 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -9.537 -8.333 -12.792 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -10.475 -6.856 -13.119 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -9.189 -7.361 -14.241 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.252 -3.818 -10.071 1.00 1.00 N ATOM 1252 CA CYS A 80 -8.675 -4.301 -8.794 1.00 1.00 C ATOM 1253 C CYS A 80 -9.738 -5.315 -9.037 1.00 1.00 C ATOM 1254 O CYS A 80 -10.620 -5.055 -9.855 1.00 1.00 O ATOM 1255 CB CYS A 80 -9.242 -3.229 -7.848 1.00 1.00 C ATOM 1256 SG CYS A 80 -7.970 -2.532 -6.752 1.00 1.00 S ATOM 0 H CYS A 80 -8.763 -3.006 -10.418 1.00 1.00 H new ATOM 0 HA CYS A 80 -7.790 -4.699 -8.297 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -9.689 -2.428 -8.437 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -10.039 -3.665 -7.245 1.00 1.00 H new ATOM 0 HG CYS A 80 -8.537 -1.795 -5.844 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.740 -6.482 -8.367 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.647 -7.559 -8.617 1.00 1.00 C ATOM 1264 C ASP A 81 -12.088 -7.225 -8.439 1.00 1.00 C ATOM 1265 O ASP A 81 -12.931 -7.645 -9.228 1.00 1.00 O ATOM 1266 CB ASP A 81 -10.203 -8.741 -7.740 1.00 1.00 C ATOM 1267 CG ASP A 81 -10.913 -10.059 -8.010 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -10.833 -10.608 -9.141 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -11.530 -10.597 -7.052 1.00 1.00 O ATOM 0 H ASP A 81 -9.079 -6.683 -7.617 1.00 1.00 H new ATOM 0 HA ASP A 81 -10.593 -7.814 -9.675 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -9.132 -8.890 -7.877 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -10.356 -8.473 -6.695 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.406 -6.417 -7.410 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.653 -5.855 -6.994 1.00 1.00 C ATOM 1276 C ARG A 82 -14.828 -5.982 -7.903 1.00 1.00 C ATOM 1277 O ARG A 82 -15.625 -6.908 -7.753 1.00 1.00 O ATOM 1278 CB ARG A 82 -13.385 -4.407 -6.550 1.00 1.00 C ATOM 1279 CG ARG A 82 -14.356 -3.793 -5.540 1.00 1.00 C ATOM 1280 CD ARG A 82 -15.641 -3.205 -6.123 1.00 1.00 C ATOM 1281 NE ARG A 82 -16.153 -2.188 -5.162 1.00 1.00 N ATOM 1282 CZ ARG A 82 -15.558 -0.973 -4.981 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -14.726 -0.430 -5.917 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -15.790 -0.317 -3.806 1.00 1.00 N ATOM 0 H ARG A 82 -11.666 -6.116 -6.776 1.00 1.00 H new ATOM 0 HA ARG A 82 -14.001 -6.478 -6.170 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -12.383 -4.365 -6.123 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -13.380 -3.777 -7.439 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -14.627 -4.559 -4.813 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -13.834 -3.007 -4.995 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -15.447 -2.749 -7.094 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -16.382 -3.988 -6.281 1.00 1.00 H new ATOM 0 HE ARG A 82 -16.985 -2.410 -4.615 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -14.533 -0.935 -6.782 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -14.297 0.480 -5.751 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -16.392 -0.737 -3.098 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -15.362 0.593 -3.637 1.00 1.00 H new ATOM 1298 N SER A 83 -15.000 -5.088 -8.891 1.00 1.00 N ATOM 1299 CA SER A 83 -15.787 -5.354 -10.057 1.00 1.00 C ATOM 1300 C SER A 83 -14.898 -5.451 -11.248 1.00 1.00 C ATOM 1301 O SER A 83 -15.317 -5.892 -12.317 1.00 1.00 O ATOM 1302 CB SER A 83 -16.833 -4.271 -10.364 1.00 1.00 C ATOM 1303 OG SER A 83 -17.861 -4.254 -9.383 1.00 1.00 O ATOM 0 H SER A 83 -14.583 -4.157 -8.881 1.00 1.00 H new ATOM 0 HA SER A 83 -16.313 -6.286 -9.848 1.00 1.00 H new ATOM 0 HB2 SER A 83 -16.349 -3.295 -10.403 1.00 1.00 H new ATOM 0 HB3 SER A 83 -17.268 -4.451 -11.347 1.00 1.00 H new ATOM 0 HG SER A 83 -18.511 -3.555 -9.603 1.00 1.00 H new ATOM 1309 N GLY A 84 -13.625 -5.034 -11.129 1.00 1.00 N ATOM 1310 CA GLY A 84 -12.710 -4.948 -12.224 1.00 1.00 C ATOM 1311 C GLY A 84 -12.348 -3.513 -12.412 1.00 1.00 C ATOM 1312 O GLY A 84 -12.848 -2.850 -13.320 1.00 1.00 O ATOM 0 H GLY A 84 -13.219 -4.747 -10.239 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -11.819 -5.542 -12.023 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -13.163 -5.349 -13.131 1.00 1.00 H new ATOM 1316 N GLU A 85 -11.475 -2.988 -11.537 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.121 -1.602 -11.556 1.00 1.00 C ATOM 1318 C GLU A 85 -9.800 -1.444 -12.229 1.00 1.00 C ATOM 1319 O GLU A 85 -9.548 -2.078 -13.253 1.00 1.00 O ATOM 1320 CB GLU A 85 -11.191 -0.894 -10.192 1.00 1.00 C ATOM 1321 CG GLU A 85 -12.212 -1.422 -9.182 1.00 1.00 C ATOM 1322 CD GLU A 85 -13.674 -1.377 -9.601 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -14.167 -0.333 -10.106 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -14.371 -2.388 -9.319 1.00 1.00 O ATOM 0 H GLU A 85 -11.009 -3.529 -10.808 1.00 1.00 H new ATOM 0 HA GLU A 85 -11.885 -1.083 -12.134 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -10.204 -0.946 -9.733 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -11.405 0.160 -10.369 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -11.957 -2.456 -8.949 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -12.105 -0.851 -8.260 1.00 1.00 H new ATOM 1331 N THR A 86 -8.877 -0.622 -11.699 1.00 1.00 N ATOM 1332 CA THR A 86 -7.678 -0.307 -12.412 1.00 1.00 C ATOM 1333 C THR A 86 -6.590 0.061 -11.462 1.00 1.00 C ATOM 1334 O THR A 86 -6.815 0.892 -10.584 1.00 1.00 O ATOM 1335 CB THR A 86 -7.836 0.903 -13.284 1.00 1.00 C ATOM 1336 OG1 THR A 86 -8.850 0.735 -14.266 1.00 1.00 O ATOM 1337 CG2 THR A 86 -6.569 1.229 -14.093 1.00 1.00 C ATOM 0 H THR A 86 -8.959 -0.178 -10.784 1.00 1.00 H new ATOM 0 HA THR A 86 -7.450 -1.194 -13.002 1.00 1.00 H new ATOM 0 HB THR A 86 -8.076 1.697 -12.577 1.00 1.00 H new ATOM 0 HG1 THR A 86 -8.918 1.548 -14.809 1.00 1.00 H new ATOM 0 HG21 THR A 86 -6.745 2.114 -14.704 1.00 1.00 H new ATOM 0 HG22 THR A 86 -5.740 1.418 -13.411 1.00 1.00 H new ATOM 0 HG23 THR A 86 -6.322 0.386 -14.738 1.00 1.00 H new ATOM 1345 N PHE A 87 -5.368 -0.473 -11.633 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.140 -0.108 -10.994 1.00 1.00 C ATOM 1347 C PHE A 87 -3.937 1.349 -10.762 1.00 1.00 C ATOM 1348 O PHE A 87 -4.327 1.882 -9.724 1.00 1.00 O ATOM 1349 CB PHE A 87 -2.994 -0.700 -11.830 1.00 1.00 C ATOM 1350 CG PHE A 87 -1.598 -0.622 -11.315 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -1.235 -0.093 -10.099 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -0.618 -1.140 -12.132 1.00 1.00 C ATOM 1353 CE1 PHE A 87 0.081 -0.079 -9.701 1.00 1.00 C ATOM 1354 CE2 PHE A 87 0.697 -1.153 -11.735 1.00 1.00 C ATOM 1355 CZ PHE A 87 1.046 -0.622 -10.515 1.00 1.00 C ATOM 0 H PHE A 87 -5.227 -1.242 -12.289 1.00 1.00 H new ATOM 0 HA PHE A 87 -4.169 -0.517 -9.984 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -3.222 -1.752 -11.999 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.012 -0.210 -12.803 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -1.993 0.317 -9.448 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -0.887 -1.541 -13.098 1.00 1.00 H new ATOM 0 HE1 PHE A 87 0.355 0.357 -8.752 1.00 1.00 H new ATOM 0 HE2 PHE A 87 1.453 -1.578 -12.378 1.00 1.00 H new ATOM 0 HZ PHE A 87 2.078 -0.632 -10.197 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.287 2.039 -11.715 1.00 1.00 N ATOM 1366 CA TRP A 88 -2.768 3.365 -11.577 1.00 1.00 C ATOM 1367 C TRP A 88 -3.820 4.391 -11.332 1.00 1.00 C ATOM 1368 O TRP A 88 -3.611 5.377 -10.625 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.013 3.730 -12.866 1.00 1.00 C ATOM 1370 CG TRP A 88 -1.024 2.720 -13.396 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -1.102 1.977 -14.538 1.00 1.00 C ATOM 1372 CD2 TRP A 88 0.277 2.457 -12.837 1.00 1.00 C ATOM 1373 NE1 TRP A 88 0.079 1.320 -14.761 1.00 1.00 N ATOM 1374 CE2 TRP A 88 0.941 1.613 -13.733 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.889 2.887 -11.691 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 2.234 1.224 -13.499 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 2.181 2.479 -11.459 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.845 1.670 -12.352 1.00 1.00 C ATOM 0 H TRP A 88 -3.113 1.646 -12.640 1.00 1.00 H new ATOM 0 HA TRP A 88 -2.114 3.366 -10.705 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -2.750 3.923 -13.646 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -1.481 4.665 -12.692 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -1.972 1.916 -15.176 1.00 1.00 H new ATOM 0 HE1 TRP A 88 0.284 0.715 -15.556 1.00 1.00 H new ATOM 0 HE3 TRP A 88 0.373 3.527 -10.991 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 2.757 0.586 -14.196 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 2.684 2.800 -10.559 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.865 1.380 -12.148 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.011 4.162 -11.914 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.128 5.054 -11.879 1.00 1.00 C ATOM 1391 C ASP A 89 -6.866 5.013 -10.586 1.00 1.00 C ATOM 1392 O ASP A 89 -7.232 6.046 -10.024 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.029 4.745 -13.086 1.00 1.00 C ATOM 1394 CG ASP A 89 -8.123 5.787 -13.277 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -7.798 6.986 -13.483 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -9.324 5.406 -13.240 1.00 1.00 O ATOM 0 H ASP A 89 -5.204 3.308 -12.437 1.00 1.00 H new ATOM 0 HA ASP A 89 -5.767 6.080 -11.950 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -6.419 4.694 -13.988 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -7.485 3.764 -12.954 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.114 3.823 -10.009 1.00 1.00 N ATOM 1402 CA LEU A 90 -7.807 3.742 -8.761 1.00 1.00 C ATOM 1403 C LEU A 90 -6.926 4.136 -7.625 1.00 1.00 C ATOM 1404 O LEU A 90 -7.324 4.837 -6.696 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.363 2.332 -8.503 1.00 1.00 C ATOM 1406 CG LEU A 90 -9.270 2.244 -7.262 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -10.502 3.158 -7.362 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -9.719 0.797 -7.001 1.00 1.00 C ATOM 0 H LEU A 90 -6.837 2.924 -10.403 1.00 1.00 H new ATOM 0 HA LEU A 90 -8.642 4.439 -8.828 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -8.926 2.007 -9.378 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -7.531 1.639 -8.384 1.00 1.00 H new ATOM 0 HG LEU A 90 -8.667 2.590 -6.423 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -11.105 3.055 -6.460 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -10.179 4.194 -7.467 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -11.096 2.874 -8.230 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -10.358 0.768 -6.118 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -10.274 0.427 -7.863 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -8.844 0.169 -6.836 1.00 1.00 H new ATOM 1420 N LEU A 91 -5.650 3.721 -7.708 1.00 1.00 N ATOM 1421 CA LEU A 91 -4.562 4.157 -6.888 1.00 1.00 C ATOM 1422 C LEU A 91 -4.376 5.636 -6.879 1.00 1.00 C ATOM 1423 O LEU A 91 -4.139 6.222 -5.824 1.00 1.00 O ATOM 1424 CB LEU A 91 -3.261 3.447 -7.302 1.00 1.00 C ATOM 1425 CG LEU A 91 -2.023 3.699 -6.426 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -2.212 3.245 -4.969 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -0.789 3.011 -7.035 1.00 1.00 C ATOM 0 H LEU A 91 -5.358 3.030 -8.399 1.00 1.00 H new ATOM 0 HA LEU A 91 -4.818 3.881 -5.865 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -3.451 2.374 -7.320 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.021 3.746 -8.322 1.00 1.00 H new ATOM 0 HG LEU A 91 -1.873 4.778 -6.404 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -1.303 3.450 -4.403 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -3.046 3.787 -4.524 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -2.420 2.175 -4.945 1.00 1.00 H new ATOM 0 HD21 LEU A 91 0.080 3.198 -6.404 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -0.966 1.937 -7.100 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -0.606 3.410 -8.033 1.00 1.00 H new ATOM 1439 N GLU A 92 -4.555 6.314 -8.027 1.00 1.00 N ATOM 1440 CA GLU A 92 -4.696 7.733 -8.118 1.00 1.00 C ATOM 1441 C GLU A 92 -5.826 8.237 -7.288 1.00 1.00 C ATOM 1442 O GLU A 92 -5.581 8.998 -6.354 1.00 1.00 O ATOM 1443 CB GLU A 92 -4.796 8.248 -9.564 1.00 1.00 C ATOM 1444 CG GLU A 92 -4.815 9.768 -9.731 1.00 1.00 C ATOM 1445 CD GLU A 92 -6.197 10.390 -9.879 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -6.881 10.112 -10.900 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -6.587 11.217 -9.013 1.00 1.00 O ATOM 0 H GLU A 92 -4.604 5.850 -8.934 1.00 1.00 H new ATOM 0 HA GLU A 92 -3.771 8.141 -7.711 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -3.954 7.850 -10.130 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -5.702 7.841 -10.012 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -4.323 10.218 -8.869 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.222 10.028 -10.608 1.00 1.00 H new ATOM 1454 N GLN A 93 -7.083 7.815 -7.513 1.00 1.00 N ATOM 1455 CA GLN A 93 -8.210 8.211 -6.726 1.00 1.00 C ATOM 1456 C GLN A 93 -8.078 8.040 -5.252 1.00 1.00 C ATOM 1457 O GLN A 93 -8.472 8.907 -4.474 1.00 1.00 O ATOM 1458 CB GLN A 93 -9.466 7.452 -7.189 1.00 1.00 C ATOM 1459 CG GLN A 93 -9.920 7.799 -8.607 1.00 1.00 C ATOM 1460 CD GLN A 93 -11.301 7.223 -8.882 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -11.479 6.257 -9.625 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -12.336 7.842 -8.254 1.00 1.00 N ATOM 0 H GLN A 93 -7.324 7.175 -8.270 1.00 1.00 H new ATOM 0 HA GLN A 93 -8.283 9.285 -6.894 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -9.271 6.381 -7.134 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -10.281 7.664 -6.497 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -9.939 8.881 -8.734 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -9.205 7.406 -9.330 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -12.159 8.640 -7.644 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -13.290 7.508 -8.393 1.00 1.00 H new ATOM 1471 N ALA A 94 -7.503 6.912 -4.799 1.00 1.00 N ATOM 1472 CA ALA A 94 -7.147 6.623 -3.445 1.00 1.00 C ATOM 1473 C ALA A 94 -6.181 7.593 -2.854 1.00 1.00 C ATOM 1474 O ALA A 94 -6.459 8.264 -1.862 1.00 1.00 O ATOM 1475 CB ALA A 94 -6.551 5.205 -3.431 1.00 1.00 C ATOM 0 H ALA A 94 -7.270 6.144 -5.429 1.00 1.00 H new ATOM 0 HA ALA A 94 -8.042 6.702 -2.828 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -6.264 4.941 -2.413 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -7.294 4.495 -3.794 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -5.673 5.173 -4.076 1.00 1.00 H new ATOM 1481 N ALA A 95 -4.994 7.746 -3.469 1.00 1.00 N ATOM 1482 CA ALA A 95 -3.969 8.638 -3.027 1.00 1.00 C ATOM 1483 C ALA A 95 -4.377 10.071 -3.056 1.00 1.00 C ATOM 1484 O ALA A 95 -4.251 10.775 -2.054 1.00 1.00 O ATOM 1485 CB ALA A 95 -2.698 8.397 -3.859 1.00 1.00 C ATOM 0 H ALA A 95 -4.739 7.226 -4.309 1.00 1.00 H new ATOM 0 HA ALA A 95 -3.770 8.420 -1.978 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -1.912 9.075 -3.527 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -2.368 7.366 -3.729 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -2.913 8.579 -4.912 1.00 1.00 H new ATOM 1491 N THR A 96 -4.948 10.553 -4.174 1.00 1.00 N ATOM 1492 CA THR A 96 -5.579 11.823 -4.360 1.00 1.00 C ATOM 1493 C THR A 96 -6.563 12.196 -3.304 1.00 1.00 C ATOM 1494 O THR A 96 -6.528 13.308 -2.781 1.00 1.00 O ATOM 1495 CB THR A 96 -6.264 11.895 -5.692 1.00 1.00 C ATOM 1496 OG1 THR A 96 -5.296 11.788 -6.725 1.00 1.00 O ATOM 1497 CG2 THR A 96 -7.014 13.217 -5.929 1.00 1.00 C ATOM 0 H THR A 96 -4.969 9.998 -5.029 1.00 1.00 H new ATOM 0 HA THR A 96 -4.759 12.539 -4.299 1.00 1.00 H new ATOM 0 HB THR A 96 -6.986 11.079 -5.699 1.00 1.00 H new ATOM 0 HG1 THR A 96 -5.714 11.409 -7.527 1.00 1.00 H new ATOM 0 HG21 THR A 96 -7.485 13.197 -6.912 1.00 1.00 H new ATOM 0 HG22 THR A 96 -7.779 13.344 -5.163 1.00 1.00 H new ATOM 0 HG23 THR A 96 -6.311 14.048 -5.880 1.00 1.00 H new ATOM 1505 N GLN A 97 -7.484 11.295 -2.921 1.00 1.00 N ATOM 1506 CA GLN A 97 -8.464 11.600 -1.925 1.00 1.00 C ATOM 1507 C GLN A 97 -7.932 11.657 -0.534 1.00 1.00 C ATOM 1508 O GLN A 97 -8.422 12.433 0.285 1.00 1.00 O ATOM 1509 CB GLN A 97 -9.727 10.728 -2.011 1.00 1.00 C ATOM 1510 CG GLN A 97 -9.643 9.315 -1.427 1.00 1.00 C ATOM 1511 CD GLN A 97 -10.881 8.508 -1.790 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -11.852 8.430 -1.039 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -10.849 7.890 -3.001 1.00 1.00 N ATOM 0 H GLN A 97 -7.551 10.351 -3.302 1.00 1.00 H new ATOM 0 HA GLN A 97 -8.766 12.617 -2.173 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -10.536 11.255 -1.505 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -10.008 10.644 -3.061 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -8.752 8.813 -1.804 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -9.543 9.370 -0.343 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -10.026 7.978 -3.597 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -11.648 7.339 -3.314 1.00 1.00 H new ATOM 1522 N GLN A 98 -6.891 10.877 -0.192 1.00 1.00 N ATOM 1523 CA GLN A 98 -6.272 10.974 1.095 1.00 1.00 C ATOM 1524 C GLN A 98 -5.297 12.094 1.212 1.00 1.00 C ATOM 1525 O GLN A 98 -5.227 12.759 2.243 1.00 1.00 O ATOM 1526 CB GLN A 98 -5.668 9.617 1.494 1.00 1.00 C ATOM 1527 CG GLN A 98 -6.735 8.520 1.516 1.00 1.00 C ATOM 1528 CD GLN A 98 -6.297 7.240 2.212 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -5.509 6.447 1.696 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -6.855 6.987 3.425 1.00 1.00 N ATOM 0 H GLN A 98 -6.477 10.177 -0.808 1.00 1.00 H new ATOM 0 HA GLN A 98 -7.055 11.226 1.810 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -4.879 9.347 0.792 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -5.205 9.697 2.478 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -7.626 8.904 2.013 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -7.019 8.284 0.490 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -7.506 7.656 3.837 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -6.623 6.128 3.924 1.00 1.00 H new ATOM 1539 N ALA A 99 -4.509 12.386 0.160 1.00 1.00 N ATOM 1540 CA ALA A 99 -3.529 13.427 0.138 1.00 1.00 C ATOM 1541 C ALA A 99 -4.071 14.797 -0.087 1.00 1.00 C ATOM 1542 O ALA A 99 -3.650 15.747 0.570 1.00 1.00 O ATOM 1543 CB ALA A 99 -2.477 13.117 -0.940 1.00 1.00 C ATOM 0 H ALA A 99 -4.559 11.870 -0.718 1.00 1.00 H new ATOM 0 HA ALA A 99 -3.093 13.439 1.137 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -1.729 13.910 -0.958 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -1.993 12.167 -0.713 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -2.962 13.054 -1.914 1.00 1.00 H new ATOM 1549 N GLY A 100 -5.023 14.976 -1.020 1.00 1.00 N ATOM 1550 CA GLY A 100 -5.684 16.222 -1.259 1.00 1.00 C ATOM 1551 C GLY A 100 -5.295 16.932 -2.510 1.00 1.00 C ATOM 1552 O GLY A 100 -5.561 18.124 -2.654 1.00 1.00 O ATOM 0 H GLY A 100 -5.345 14.225 -1.631 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -6.759 16.043 -1.284 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -5.491 16.882 -0.414 1.00 1.00 H new ATOM 1556 N GLU A 101 -4.669 16.225 -3.469 1.00 1.00 N ATOM 1557 CA GLU A 101 -4.237 16.745 -4.729 1.00 1.00 C ATOM 1558 C GLU A 101 -4.017 15.545 -5.585 1.00 1.00 C ATOM 1559 O GLU A 101 -3.732 14.482 -5.037 1.00 1.00 O ATOM 1560 CB GLU A 101 -2.952 17.584 -4.624 1.00 1.00 C ATOM 1561 CG GLU A 101 -2.169 17.712 -5.931 1.00 1.00 C ATOM 1562 CD GLU A 101 -1.159 18.847 -6.024 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -1.582 20.034 -5.968 1.00 1.00 O ATOM 1564 OE2 GLU A 101 0.039 18.562 -6.292 1.00 1.00 O ATOM 0 H GLU A 101 -4.453 15.234 -3.357 1.00 1.00 H new ATOM 0 HA GLU A 101 -4.982 17.427 -5.139 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -3.213 18.582 -4.272 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -2.304 17.139 -3.869 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -1.641 16.774 -6.103 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -2.885 17.828 -6.745 1.00 1.00 H new ATOM 1571 N THR A 102 -4.141 15.639 -6.922 1.00 1.00 N ATOM 1572 CA THR A 102 -3.864 14.589 -7.852 1.00 1.00 C ATOM 1573 C THR A 102 -2.509 13.983 -7.717 1.00 1.00 C ATOM 1574 O THR A 102 -1.497 14.590 -8.061 1.00 1.00 O ATOM 1575 CB THR A 102 -4.012 14.985 -9.292 1.00 1.00 C ATOM 1576 OG1 THR A 102 -5.296 15.551 -9.521 1.00 1.00 O ATOM 1577 CG2 THR A 102 -3.925 13.765 -10.224 1.00 1.00 C ATOM 0 H THR A 102 -4.452 16.497 -7.378 1.00 1.00 H new ATOM 0 HA THR A 102 -4.626 13.858 -7.582 1.00 1.00 H new ATOM 0 HB THR A 102 -3.209 15.693 -9.499 1.00 1.00 H new ATOM 0 HG1 THR A 102 -5.378 15.806 -10.464 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.036 14.089 -11.259 1.00 1.00 H new ATOM 0 HG22 THR A 102 -2.957 13.279 -10.098 1.00 1.00 H new ATOM 0 HG23 THR A 102 -4.720 13.061 -9.977 1.00 1.00 H new ATOM 1585 N VAL A 103 -2.442 12.739 -7.210 1.00 1.00 N ATOM 1586 CA VAL A 103 -1.230 11.991 -7.074 1.00 1.00 C ATOM 1587 C VAL A 103 -1.014 11.219 -8.332 1.00 1.00 C ATOM 1588 O VAL A 103 -1.747 10.302 -8.694 1.00 1.00 O ATOM 1589 CB VAL A 103 -1.228 11.074 -5.887 1.00 1.00 C ATOM 1590 CG1 VAL A 103 0.123 10.348 -5.762 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -1.492 11.895 -4.614 1.00 1.00 C ATOM 0 H VAL A 103 -3.265 12.234 -6.882 1.00 1.00 H new ATOM 0 HA VAL A 103 -0.416 12.695 -6.903 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.010 10.326 -6.018 1.00 1.00 H new ATOM 0 HG11 VAL A 103 0.103 9.688 -4.895 1.00 1.00 H new ATOM 0 HG12 VAL A 103 0.304 9.760 -6.661 1.00 1.00 H new ATOM 0 HG13 VAL A 103 0.920 11.081 -5.641 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -1.492 11.233 -3.748 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -0.711 12.646 -4.497 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -2.461 12.388 -4.693 1.00 1.00 H new ATOM 1601 N SER A 104 0.016 11.632 -9.092 1.00 1.00 N ATOM 1602 CA SER A 104 0.165 11.277 -10.469 1.00 1.00 C ATOM 1603 C SER A 104 1.022 10.076 -10.687 1.00 1.00 C ATOM 1604 O SER A 104 2.249 10.157 -10.712 1.00 1.00 O ATOM 1605 CB SER A 104 0.753 12.422 -11.310 1.00 1.00 C ATOM 1606 OG SER A 104 -0.107 13.552 -11.268 1.00 1.00 O ATOM 0 H SER A 104 0.765 12.228 -8.740 1.00 1.00 H new ATOM 0 HA SER A 104 -0.852 11.053 -10.791 1.00 1.00 H new ATOM 0 HB2 SER A 104 1.739 12.692 -10.932 1.00 1.00 H new ATOM 0 HB3 SER A 104 0.886 12.095 -12.341 1.00 1.00 H new ATOM 0 HG SER A 104 0.430 14.371 -11.232 1.00 1.00 H new ATOM 1612 N PHE A 105 0.402 8.899 -10.886 1.00 1.00 N ATOM 1613 CA PHE A 105 1.094 7.682 -11.174 1.00 1.00 C ATOM 1614 C PHE A 105 1.309 7.469 -12.633 1.00 1.00 C ATOM 1615 O PHE A 105 2.335 6.923 -13.035 1.00 1.00 O ATOM 1616 CB PHE A 105 0.310 6.491 -10.595 1.00 1.00 C ATOM 1617 CG PHE A 105 0.339 6.534 -9.106 1.00 1.00 C ATOM 1618 CD1 PHE A 105 1.456 6.103 -8.429 1.00 1.00 C ATOM 1619 CD2 PHE A 105 -0.728 7.023 -8.392 1.00 1.00 C ATOM 1620 CE1 PHE A 105 1.513 6.165 -7.057 1.00 1.00 C ATOM 1621 CE2 PHE A 105 -0.680 7.091 -7.019 1.00 1.00 C ATOM 1622 CZ PHE A 105 0.443 6.663 -6.350 1.00 1.00 C ATOM 0 H PHE A 105 -0.611 8.791 -10.845 1.00 1.00 H new ATOM 0 HA PHE A 105 2.077 7.758 -10.709 1.00 1.00 H new ATOM 0 HB2 PHE A 105 -0.721 6.519 -10.947 1.00 1.00 H new ATOM 0 HB3 PHE A 105 0.742 5.555 -10.948 1.00 1.00 H new ATOM 0 HD1 PHE A 105 2.297 5.712 -8.981 1.00 1.00 H new ATOM 0 HD2 PHE A 105 -1.613 7.357 -8.914 1.00 1.00 H new ATOM 0 HE1 PHE A 105 2.395 5.824 -6.536 1.00 1.00 H new ATOM 0 HE2 PHE A 105 -1.523 7.480 -6.467 1.00 1.00 H new ATOM 0 HZ PHE A 105 0.485 6.718 -5.272 1.00 1.00 H new ATOM 1632 N ARG A 106 0.377 7.926 -13.488 1.00 1.00 N ATOM 1633 CA ARG A 106 0.537 7.917 -14.909 1.00 1.00 C ATOM 1634 C ARG A 106 1.193 9.234 -15.299 1.00 1.00 C ATOM 1635 O ARG A 106 0.562 10.310 -15.119 1.00 1.00 O ATOM 1636 CB ARG A 106 -0.809 7.812 -15.645 1.00 1.00 C ATOM 1637 CG ARG A 106 -1.501 6.447 -15.654 1.00 1.00 C ATOM 1638 CD ARG A 106 -0.848 5.459 -16.622 1.00 1.00 C ATOM 1639 NE ARG A 106 -1.737 4.286 -16.847 1.00 1.00 N ATOM 1640 CZ ARG A 106 -1.446 3.342 -17.789 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -0.323 3.412 -18.562 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -2.265 2.276 -18.024 1.00 1.00 N ATOM 1643 OXT ARG A 106 2.350 9.224 -15.797 1.00 1.00 O ATOM 0 H ARG A 106 -0.515 8.314 -13.181 1.00 1.00 H new ATOM 0 HA ARG A 106 1.137 7.051 -15.188 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -1.494 8.534 -15.200 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -0.652 8.117 -16.680 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -1.483 6.029 -14.648 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -2.548 6.577 -15.926 1.00 1.00 H new ATOM 0 HD2 ARG A 106 -0.641 5.953 -17.571 1.00 1.00 H new ATOM 0 HD3 ARG A 106 0.109 5.126 -16.221 1.00 1.00 H new ATOM 0 HE ARG A 106 -2.582 4.186 -16.285 1.00 1.00 H new ATOM 0 HH11 ARG A 106 0.329 4.187 -18.445 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -0.136 2.689 -19.257 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -3.126 2.166 -17.488 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -2.017 1.589 -18.736 1.00 1.00 H new