USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=15 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 66 GLN : amide:sc= 0.472 K(o=2,f=-0.64) USER MOD Set 1.2: A 97 GLN : amide:sc= 1.54 K(o=2,f=-0.64) USER MOD Single : A 2 ASN : amide:sc= 0.0736 K(o=0.074,f=-1.4) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.708 K(o=-0.71,f=-0.12) USER MOD Single : A 12 GLN : amide:sc=-0.00236 X(o=-0.0024,f=-0.0024) USER MOD Single : A 16 THR OG1 : rot 77:sc= 0.865 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= -0.215 USER MOD Single : A 35 ASN : amide:sc= -0.0382 X(o=-0.038,f=-0.44) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 144:sc= 1.28 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 159:sc= 0.52 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0.148 X(o=0.15,f=-0.19) USER MOD Single : A 54 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=-0.033) USER MOD Single : A 59 GLN : amide:sc= -0.0505 K(o=-0.05,f=-1.6!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0934 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.47 K(o=-1.5,f=0.25) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot -130:sc= -0.181 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.000216 USER MOD Single : A 93 GLN : amide:sc= -0.638 K(o=-0.64,f=0) USER MOD Single : A 96 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 98 GLN : amide:sc= 0.0648 K(o=0.065,f=-2.8!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 2 2.708 -17.366 -12.210 1.00 0.00 N ATOM 18 CA ASN A 2 3.792 -18.172 -11.740 1.00 0.00 C ATOM 19 C ASN A 2 4.476 -17.493 -10.605 1.00 0.00 C ATOM 20 O ASN A 2 4.318 -16.291 -10.396 1.00 0.00 O ATOM 21 CB ASN A 2 4.741 -18.405 -12.928 1.00 0.00 C ATOM 22 CG ASN A 2 5.804 -19.472 -12.713 1.00 0.00 C ATOM 23 OD1 ASN A 2 5.675 -20.388 -11.903 1.00 0.00 O ATOM 24 ND2 ASN A 2 6.903 -19.349 -13.505 1.00 0.00 N ATOM 0 HA ASN A 2 3.440 -19.133 -11.365 1.00 0.00 H new ATOM 0 HB2 ASN A 2 4.146 -18.679 -13.799 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.237 -17.464 -13.165 1.00 0.00 H new ATOM 0 HD21 ASN A 2 7.658 -20.032 -13.439 1.00 0.00 H new ATOM 0 HD22 ASN A 2 6.972 -18.574 -14.165 1.00 0.00 H new ATOM 31 N ASP A 3 5.289 -18.224 -9.823 1.00 0.00 N ATOM 32 CA ASP A 3 5.961 -17.783 -8.641 1.00 0.00 C ATOM 33 C ASP A 3 6.973 -16.719 -8.890 1.00 0.00 C ATOM 34 O ASP A 3 6.914 -15.626 -8.328 1.00 0.00 O ATOM 35 CB ASP A 3 6.581 -19.034 -7.995 1.00 0.00 C ATOM 36 CG ASP A 3 7.380 -18.775 -6.726 1.00 0.00 C ATOM 37 OD1 ASP A 3 6.820 -18.226 -5.739 1.00 0.00 O ATOM 38 OD2 ASP A 3 8.595 -19.107 -6.718 1.00 0.00 O ATOM 0 H ASP A 3 5.492 -19.201 -10.035 1.00 0.00 H new ATOM 0 HA ASP A 3 5.246 -17.307 -7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.782 -19.739 -7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.232 -19.516 -8.724 1.00 0.00 H new ATOM 43 N SER A 4 7.938 -16.960 -9.795 1.00 0.00 N ATOM 44 CA SER A 4 8.940 -16.000 -10.138 1.00 0.00 C ATOM 45 C SER A 4 8.377 -14.799 -10.818 1.00 0.00 C ATOM 46 O SER A 4 8.806 -13.671 -10.582 1.00 0.00 O ATOM 47 CB SER A 4 10.051 -16.606 -11.011 1.00 0.00 C ATOM 48 OG SER A 4 11.180 -15.750 -11.113 1.00 0.00 O ATOM 0 H SER A 4 8.024 -17.842 -10.300 1.00 0.00 H new ATOM 0 HA SER A 4 9.371 -15.685 -9.188 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.360 -17.563 -10.591 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.658 -16.807 -12.008 1.00 0.00 H new ATOM 0 HG SER A 4 11.862 -16.174 -11.675 1.00 0.00 H new ATOM 54 N GLU A 5 7.333 -14.999 -11.642 1.00 0.00 N ATOM 55 CA GLU A 5 6.599 -13.972 -12.315 1.00 0.00 C ATOM 56 C GLU A 5 5.955 -13.018 -11.367 1.00 0.00 C ATOM 57 O GLU A 5 6.232 -11.820 -11.406 1.00 0.00 O ATOM 58 CB GLU A 5 5.557 -14.591 -13.263 1.00 0.00 C ATOM 59 CG GLU A 5 5.147 -13.702 -14.438 1.00 0.00 C ATOM 60 CD GLU A 5 6.093 -13.768 -15.629 1.00 0.00 C ATOM 61 OE1 GLU A 5 7.171 -14.416 -15.558 1.00 0.00 O ATOM 62 OE2 GLU A 5 5.713 -13.224 -16.700 1.00 0.00 O ATOM 0 H GLU A 5 6.981 -15.933 -11.851 1.00 0.00 H new ATOM 0 HA GLU A 5 7.314 -13.396 -12.903 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.955 -15.527 -13.656 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.666 -14.841 -12.687 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.148 -13.989 -14.765 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.085 -12.670 -14.094 1.00 0.00 H new ATOM 69 N PHE A 6 5.142 -13.516 -10.418 1.00 0.00 N ATOM 70 CA PHE A 6 4.614 -12.809 -9.295 1.00 0.00 C ATOM 71 C PHE A 6 5.601 -11.981 -8.545 1.00 0.00 C ATOM 72 O PHE A 6 5.355 -10.798 -8.320 1.00 0.00 O ATOM 73 CB PHE A 6 3.945 -13.837 -8.368 1.00 0.00 C ATOM 74 CG PHE A 6 3.210 -13.251 -7.211 1.00 0.00 C ATOM 75 CD1 PHE A 6 2.293 -12.248 -7.408 1.00 0.00 C ATOM 76 CD2 PHE A 6 3.398 -13.751 -5.943 1.00 0.00 C ATOM 77 CE1 PHE A 6 1.559 -11.755 -6.354 1.00 0.00 C ATOM 78 CE2 PHE A 6 2.667 -13.261 -4.885 1.00 0.00 C ATOM 79 CZ PHE A 6 1.739 -12.268 -5.090 1.00 0.00 C ATOM 0 H PHE A 6 4.832 -14.487 -10.440 1.00 0.00 H new ATOM 0 HA PHE A 6 3.899 -12.080 -9.678 1.00 0.00 H new ATOM 0 HB2 PHE A 6 3.250 -14.437 -8.956 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.710 -14.515 -7.989 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.147 -11.843 -8.398 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.124 -14.533 -5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.841 -10.965 -6.519 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.823 -13.657 -3.892 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.154 -11.892 -4.263 1.00 0.00 H new ATOM 89 N HIS A 7 6.762 -12.538 -8.154 1.00 0.00 N ATOM 90 CA HIS A 7 7.761 -11.811 -7.436 1.00 0.00 C ATOM 91 C HIS A 7 8.403 -10.740 -8.249 1.00 0.00 C ATOM 92 O HIS A 7 8.547 -9.616 -7.772 1.00 0.00 O ATOM 93 CB HIS A 7 8.827 -12.754 -6.850 1.00 0.00 C ATOM 94 CG HIS A 7 10.085 -12.078 -6.394 1.00 0.00 C ATOM 95 ND1 HIS A 7 10.358 -11.616 -5.133 1.00 0.00 N ATOM 96 CD2 HIS A 7 11.118 -11.683 -7.187 1.00 0.00 C ATOM 97 CE1 HIS A 7 11.503 -10.960 -5.163 1.00 0.00 C ATOM 98 NE2 HIS A 7 11.988 -10.987 -6.389 1.00 0.00 N ATOM 0 H HIS A 7 7.010 -13.510 -8.340 1.00 0.00 H new ATOM 0 HA HIS A 7 7.240 -11.316 -6.616 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.393 -13.290 -6.006 1.00 0.00 H new ATOM 0 HB3 HIS A 7 9.085 -13.500 -7.602 1.00 0.00 H new ATOM 0 HD2 HIS A 7 11.231 -11.880 -8.243 1.00 0.00 H new ATOM 0 HE1 HIS A 7 11.969 -10.477 -4.317 1.00 0.00 H new ATOM 0 HE2 HIS A 7 12.864 -10.561 -6.692 1.00 0.00 H new ATOM 106 N ARG A 8 8.804 -11.014 -9.503 1.00 0.00 N ATOM 107 CA ARG A 8 9.462 -10.060 -10.343 1.00 0.00 C ATOM 108 C ARG A 8 8.617 -8.875 -10.662 1.00 0.00 C ATOM 109 O ARG A 8 9.056 -7.731 -10.549 1.00 0.00 O ATOM 110 CB ARG A 8 9.924 -10.696 -11.665 1.00 0.00 C ATOM 111 CG ARG A 8 11.024 -9.896 -12.365 1.00 0.00 C ATOM 112 CD ARG A 8 11.369 -10.434 -13.755 1.00 0.00 C ATOM 113 NE ARG A 8 12.566 -9.694 -14.246 1.00 0.00 N ATOM 114 CZ ARG A 8 13.202 -10.047 -15.401 1.00 0.00 C ATOM 115 NH1 ARG A 8 12.596 -10.825 -16.344 1.00 0.00 N ATOM 116 NH2 ARG A 8 14.460 -9.589 -15.676 1.00 0.00 N ATOM 0 H ARG A 8 8.667 -11.923 -9.945 1.00 0.00 H new ATOM 0 HA ARG A 8 10.323 -9.723 -9.766 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.286 -11.705 -11.468 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.069 -10.789 -12.335 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.708 -8.856 -12.453 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.921 -9.905 -11.746 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.573 -11.504 -13.711 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.529 -10.298 -14.437 1.00 0.00 H new ATOM 0 HE ARG A 8 12.919 -8.904 -13.705 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.644 -11.158 -16.195 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.095 -11.073 -17.198 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.935 -8.975 -15.014 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.924 -9.861 -16.543 1.00 0.00 H new ATOM 130 N LEU A 9 7.346 -9.110 -11.032 1.00 0.00 N ATOM 131 CA LEU A 9 6.355 -8.100 -11.235 1.00 0.00 C ATOM 132 C LEU A 9 6.120 -7.270 -10.020 1.00 0.00 C ATOM 133 O LEU A 9 6.146 -6.042 -10.095 1.00 0.00 O ATOM 134 CB LEU A 9 5.031 -8.747 -11.674 1.00 0.00 C ATOM 135 CG LEU A 9 5.011 -9.308 -13.107 1.00 0.00 C ATOM 136 CD1 LEU A 9 3.748 -10.159 -13.322 1.00 0.00 C ATOM 137 CD2 LEU A 9 5.082 -8.198 -14.169 1.00 0.00 C ATOM 0 H LEU A 9 6.992 -10.052 -11.198 1.00 0.00 H new ATOM 0 HA LEU A 9 6.733 -7.438 -12.015 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.795 -9.556 -10.982 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.237 -8.007 -11.581 1.00 0.00 H new ATOM 0 HG LEU A 9 5.899 -9.929 -13.224 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.743 -10.552 -14.339 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.742 -10.987 -12.613 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.863 -9.542 -13.167 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.065 -8.644 -15.163 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.227 -7.531 -14.056 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.004 -7.631 -14.042 1.00 0.00 H new ATOM 149 N ALA A 10 5.936 -7.897 -8.846 1.00 0.00 N ATOM 150 CA ALA A 10 5.733 -7.233 -7.594 1.00 0.00 C ATOM 151 C ALA A 10 6.850 -6.326 -7.209 1.00 0.00 C ATOM 152 O ALA A 10 6.618 -5.164 -6.879 1.00 0.00 O ATOM 153 CB ALA A 10 5.474 -8.249 -6.470 1.00 0.00 C ATOM 0 H ALA A 10 5.928 -8.914 -8.764 1.00 0.00 H new ATOM 0 HA ALA A 10 4.853 -6.605 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.323 -7.720 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.584 -8.833 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.331 -8.916 -6.378 1.00 0.00 H new ATOM 159 N ASP A 11 8.110 -6.792 -7.277 1.00 0.00 N ATOM 160 CA ASP A 11 9.283 -6.014 -7.019 1.00 0.00 C ATOM 161 C ASP A 11 9.478 -4.874 -7.960 1.00 0.00 C ATOM 162 O ASP A 11 9.912 -3.797 -7.555 1.00 0.00 O ATOM 163 CB ASP A 11 10.515 -6.933 -6.981 1.00 0.00 C ATOM 164 CG ASP A 11 10.861 -7.304 -5.547 1.00 0.00 C ATOM 165 OD1 ASP A 11 9.987 -7.784 -4.778 1.00 0.00 O ATOM 166 OD2 ASP A 11 12.039 -7.079 -5.160 1.00 0.00 O ATOM 0 H ASP A 11 8.321 -7.759 -7.524 1.00 0.00 H new ATOM 0 HA ASP A 11 9.144 -5.547 -6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.320 -7.836 -7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.363 -6.433 -7.448 1.00 0.00 H new ATOM 171 N GLN A 12 9.137 -5.030 -9.251 1.00 0.00 N ATOM 172 CA GLN A 12 9.161 -3.987 -10.229 1.00 0.00 C ATOM 173 C GLN A 12 8.194 -2.881 -9.975 1.00 0.00 C ATOM 174 O GLN A 12 8.549 -1.704 -10.022 1.00 0.00 O ATOM 175 CB GLN A 12 8.936 -4.562 -11.636 1.00 0.00 C ATOM 176 CG GLN A 12 10.198 -5.173 -12.247 1.00 0.00 C ATOM 177 CD GLN A 12 11.102 -4.078 -12.795 1.00 0.00 C ATOM 178 OE1 GLN A 12 10.855 -3.564 -13.884 1.00 0.00 O ATOM 179 NE2 GLN A 12 12.158 -3.691 -12.030 1.00 0.00 N ATOM 0 H GLN A 12 8.830 -5.925 -9.631 1.00 0.00 H new ATOM 0 HA GLN A 12 10.154 -3.544 -10.154 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.157 -5.323 -11.590 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.570 -3.771 -12.290 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.732 -5.752 -11.493 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.926 -5.863 -13.045 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.329 -4.142 -11.132 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.778 -2.949 -12.355 1.00 0.00 H new ATOM 188 N LEU A 13 6.920 -3.190 -9.677 1.00 0.00 N ATOM 189 CA LEU A 13 5.948 -2.198 -9.337 1.00 0.00 C ATOM 190 C LEU A 13 6.188 -1.545 -8.020 1.00 0.00 C ATOM 191 O LEU A 13 6.104 -0.320 -7.945 1.00 0.00 O ATOM 192 CB LEU A 13 4.516 -2.715 -9.564 1.00 0.00 C ATOM 193 CG LEU A 13 4.000 -3.920 -8.760 1.00 0.00 C ATOM 194 CD1 LEU A 13 3.141 -3.466 -7.567 1.00 0.00 C ATOM 195 CD2 LEU A 13 3.169 -4.852 -9.659 1.00 0.00 C ATOM 0 H LEU A 13 6.559 -4.144 -9.672 1.00 0.00 H new ATOM 0 HA LEU A 13 6.073 -1.370 -10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.837 -1.884 -9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.425 -2.967 -10.621 1.00 0.00 H new ATOM 0 HG LEU A 13 4.869 -4.459 -8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.790 -4.340 -7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.739 -2.838 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.284 -2.898 -7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.812 -5.699 -9.073 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.317 -4.304 -10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.789 -5.214 -10.480 1.00 0.00 H new ATOM 207 N TRP A 14 6.600 -2.290 -6.978 1.00 0.00 N ATOM 208 CA TRP A 14 7.167 -1.828 -5.749 1.00 0.00 C ATOM 209 C TRP A 14 8.135 -0.707 -5.917 1.00 0.00 C ATOM 210 O TRP A 14 7.966 0.383 -5.373 1.00 0.00 O ATOM 211 CB TRP A 14 7.940 -2.958 -5.050 1.00 0.00 C ATOM 212 CG TRP A 14 7.363 -3.694 -3.864 1.00 0.00 C ATOM 213 CD1 TRP A 14 8.081 -4.104 -2.778 1.00 0.00 C ATOM 214 CD2 TRP A 14 6.021 -4.170 -3.654 1.00 0.00 C ATOM 215 NE1 TRP A 14 7.276 -4.761 -1.886 1.00 0.00 N ATOM 216 CE2 TRP A 14 6.004 -4.811 -2.409 1.00 0.00 C ATOM 217 CE3 TRP A 14 4.886 -4.093 -4.414 1.00 0.00 C ATOM 218 CZ2 TRP A 14 4.851 -5.361 -1.920 1.00 0.00 C ATOM 219 CZ3 TRP A 14 3.735 -4.661 -3.920 1.00 0.00 C ATOM 220 CH2 TRP A 14 3.716 -5.284 -2.693 1.00 0.00 C ATOM 0 H TRP A 14 6.529 -3.307 -7.000 1.00 0.00 H new ATOM 0 HA TRP A 14 6.314 -1.483 -5.165 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.162 -3.707 -5.810 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.893 -2.538 -4.729 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.139 -3.934 -2.641 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.569 -5.147 -0.988 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.894 -3.600 -5.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.832 -5.843 -0.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.829 -4.617 -4.506 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.796 -5.719 -2.332 1.00 0.00 H new ATOM 231 N LEU A 15 9.200 -0.950 -6.699 1.00 0.00 N ATOM 232 CA LEU A 15 10.267 -0.040 -6.977 1.00 0.00 C ATOM 233 C LEU A 15 9.832 1.178 -7.716 1.00 0.00 C ATOM 234 O LEU A 15 10.211 2.306 -7.401 1.00 0.00 O ATOM 235 CB LEU A 15 11.325 -0.836 -7.759 1.00 0.00 C ATOM 236 CG LEU A 15 12.622 -0.101 -8.142 1.00 0.00 C ATOM 237 CD1 LEU A 15 13.344 0.509 -6.929 1.00 0.00 C ATOM 238 CD2 LEU A 15 13.568 -1.068 -8.875 1.00 0.00 C ATOM 0 H LEU A 15 9.324 -1.846 -7.170 1.00 0.00 H new ATOM 0 HA LEU A 15 10.671 0.348 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.595 -1.710 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.862 -1.203 -8.675 1.00 0.00 H new ATOM 0 HG LEU A 15 12.341 0.725 -8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.251 1.014 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.688 1.228 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.606 -0.282 -6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.485 -0.545 -9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.808 -1.907 -8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.082 -1.438 -9.778 1.00 0.00 H new ATOM 250 N THR A 16 8.969 1.004 -8.734 1.00 0.00 N ATOM 251 CA THR A 16 8.368 2.059 -9.491 1.00 0.00 C ATOM 252 C THR A 16 7.529 2.972 -8.665 1.00 0.00 C ATOM 253 O THR A 16 7.707 4.189 -8.704 1.00 0.00 O ATOM 254 CB THR A 16 7.593 1.544 -10.668 1.00 0.00 C ATOM 255 OG1 THR A 16 8.434 0.743 -11.485 1.00 0.00 O ATOM 256 CG2 THR A 16 7.087 2.694 -11.555 1.00 0.00 C ATOM 0 H THR A 16 8.675 0.078 -9.045 1.00 0.00 H new ATOM 0 HA THR A 16 9.202 2.650 -9.869 1.00 0.00 H new ATOM 0 HB THR A 16 6.752 0.976 -10.271 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.548 -0.138 -11.072 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.530 2.285 -12.398 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.436 3.345 -10.971 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.936 3.268 -11.925 1.00 0.00 H new ATOM 264 N ILE A 17 6.613 2.430 -7.842 1.00 0.00 N ATOM 265 CA ILE A 17 5.811 3.138 -6.893 1.00 0.00 C ATOM 266 C ILE A 17 6.620 3.931 -5.926 1.00 0.00 C ATOM 267 O ILE A 17 6.426 5.140 -5.799 1.00 0.00 O ATOM 268 CB ILE A 17 4.848 2.226 -6.193 1.00 0.00 C ATOM 269 CG1 ILE A 17 3.805 1.700 -7.194 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.116 2.924 -5.034 1.00 0.00 C ATOM 271 CD1 ILE A 17 2.992 0.527 -6.648 1.00 0.00 C ATOM 0 H ILE A 17 6.421 1.428 -7.841 1.00 0.00 H new ATOM 0 HA ILE A 17 5.227 3.859 -7.465 1.00 0.00 H new ATOM 0 HB ILE A 17 5.432 1.405 -5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.128 2.510 -7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.311 1.390 -8.108 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.431 2.221 -4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.844 3.271 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.554 3.775 -5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.274 0.201 -7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.662 -0.298 -6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.460 0.840 -5.750 1.00 0.00 H new ATOM 283 N GLU A 18 7.581 3.291 -5.236 1.00 0.00 N ATOM 284 CA GLU A 18 8.416 3.894 -4.245 1.00 0.00 C ATOM 285 C GLU A 18 9.170 5.076 -4.752 1.00 0.00 C ATOM 286 O GLU A 18 9.022 6.177 -4.225 1.00 0.00 O ATOM 287 CB GLU A 18 9.341 2.841 -3.611 1.00 0.00 C ATOM 288 CG GLU A 18 9.648 3.030 -2.124 1.00 0.00 C ATOM 289 CD GLU A 18 10.706 4.077 -1.804 1.00 0.00 C ATOM 290 OE1 GLU A 18 11.883 3.883 -2.208 1.00 0.00 O ATOM 291 OE2 GLU A 18 10.379 5.048 -1.072 1.00 0.00 O ATOM 0 H GLU A 18 7.785 2.302 -5.377 1.00 0.00 H new ATOM 0 HA GLU A 18 7.761 4.287 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.888 1.859 -3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.283 2.836 -4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.725 3.302 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.971 2.074 -1.713 1.00 0.00 H new ATOM 298 N GLU A 19 9.945 4.933 -5.842 1.00 0.00 N ATOM 299 CA GLU A 19 10.710 6.013 -6.384 1.00 0.00 C ATOM 300 C GLU A 19 9.931 7.125 -6.997 1.00 0.00 C ATOM 301 O GLU A 19 10.322 8.287 -6.894 1.00 0.00 O ATOM 302 CB GLU A 19 11.761 5.539 -7.401 1.00 0.00 C ATOM 303 CG GLU A 19 12.745 4.526 -6.812 1.00 0.00 C ATOM 304 CD GLU A 19 13.998 4.389 -7.665 1.00 0.00 C ATOM 305 OE1 GLU A 19 13.892 4.103 -8.888 1.00 0.00 O ATOM 306 OE2 GLU A 19 15.114 4.585 -7.115 1.00 0.00 O ATOM 0 H GLU A 19 10.042 4.056 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 19 11.190 6.420 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.255 5.092 -8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.314 6.401 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.024 4.835 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.257 3.555 -6.725 1.00 0.00 H new ATOM 313 N ARG A 20 8.790 6.859 -7.657 1.00 0.00 N ATOM 314 CA ARG A 20 7.954 7.890 -8.189 1.00 0.00 C ATOM 315 C ARG A 20 7.356 8.744 -7.126 1.00 0.00 C ATOM 316 O ARG A 20 7.300 9.967 -7.252 1.00 0.00 O ATOM 317 CB ARG A 20 6.857 7.329 -9.110 1.00 0.00 C ATOM 318 CG ARG A 20 6.009 8.370 -9.844 1.00 0.00 C ATOM 319 CD ARG A 20 6.739 9.244 -10.866 1.00 0.00 C ATOM 320 NE ARG A 20 7.022 8.418 -12.072 1.00 0.00 N ATOM 321 CZ ARG A 20 7.967 8.724 -13.008 1.00 0.00 C ATOM 322 NH1 ARG A 20 8.923 9.677 -12.803 1.00 0.00 N ATOM 323 NH2 ARG A 20 7.966 8.055 -14.198 1.00 0.00 N ATOM 0 H ARG A 20 8.442 5.915 -7.824 1.00 0.00 H new ATOM 0 HA ARG A 20 8.608 8.522 -8.790 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.326 6.682 -9.851 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.194 6.702 -8.514 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.198 7.851 -10.355 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.551 9.023 -9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.129 10.107 -11.132 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.667 9.628 -10.443 1.00 0.00 H new ATOM 0 HE ARG A 20 6.474 7.568 -12.207 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.949 10.192 -11.923 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.611 9.874 -13.530 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.265 7.337 -14.379 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.666 8.274 -14.907 1.00 0.00 H new ATOM 337 N LEU A 21 6.924 8.145 -6.003 1.00 0.00 N ATOM 338 CA LEU A 21 6.390 8.858 -4.883 1.00 0.00 C ATOM 339 C LEU A 21 7.411 9.569 -4.064 1.00 0.00 C ATOM 340 O LEU A 21 7.204 10.726 -3.705 1.00 0.00 O ATOM 341 CB LEU A 21 5.575 7.910 -3.986 1.00 0.00 C ATOM 342 CG LEU A 21 4.264 7.449 -4.646 1.00 0.00 C ATOM 343 CD1 LEU A 21 3.697 6.255 -3.863 1.00 0.00 C ATOM 344 CD2 LEU A 21 3.218 8.574 -4.721 1.00 0.00 C ATOM 0 H LEU A 21 6.946 7.134 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 21 5.749 9.630 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.181 7.037 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.347 8.413 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 21 4.491 7.156 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.768 5.924 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.418 5.438 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.502 6.555 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.312 8.197 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.984 8.921 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.616 9.403 -5.307 1.00 0.00 H new ATOM 356 N ASP A 22 8.567 8.948 -3.767 1.00 0.00 N ATOM 357 CA ASP A 22 9.698 9.558 -3.138 1.00 0.00 C ATOM 358 C ASP A 22 10.185 10.780 -3.837 1.00 0.00 C ATOM 359 O ASP A 22 10.653 11.728 -3.209 1.00 0.00 O ATOM 360 CB ASP A 22 10.787 8.481 -2.998 1.00 0.00 C ATOM 361 CG ASP A 22 11.947 8.840 -2.081 1.00 0.00 C ATOM 362 OD1 ASP A 22 12.878 9.554 -2.543 1.00 0.00 O ATOM 363 OD2 ASP A 22 11.997 8.355 -0.919 1.00 0.00 O ATOM 0 H ASP A 22 8.721 7.962 -3.979 1.00 0.00 H new ATOM 0 HA ASP A 22 9.404 9.926 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.324 7.566 -2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.184 8.259 -3.989 1.00 0.00 H new ATOM 368 N ASP A 23 10.063 10.863 -5.175 1.00 0.00 N ATOM 369 CA ASP A 23 10.391 12.038 -5.923 1.00 0.00 C ATOM 370 C ASP A 23 9.380 13.132 -5.901 1.00 0.00 C ATOM 371 O ASP A 23 9.676 14.263 -6.280 1.00 0.00 O ATOM 372 CB ASP A 23 10.682 11.568 -7.357 1.00 0.00 C ATOM 373 CG ASP A 23 11.312 12.636 -8.241 1.00 0.00 C ATOM 374 OD1 ASP A 23 12.366 13.207 -7.852 1.00 0.00 O ATOM 375 OD2 ASP A 23 10.770 12.892 -9.348 1.00 0.00 O ATOM 0 H ASP A 23 9.727 10.092 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 23 11.252 12.509 -5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.346 10.705 -7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.751 11.234 -7.815 1.00 0.00 H new ATOM 380 N TRP A 24 8.126 12.895 -5.475 1.00 0.00 N ATOM 381 CA TRP A 24 7.057 13.835 -5.612 1.00 0.00 C ATOM 382 C TRP A 24 6.927 14.740 -4.435 1.00 0.00 C ATOM 383 O TRP A 24 6.738 14.300 -3.302 1.00 0.00 O ATOM 384 CB TRP A 24 5.742 13.070 -5.839 1.00 0.00 C ATOM 385 CG TRP A 24 4.651 13.776 -6.609 1.00 0.00 C ATOM 386 CD1 TRP A 24 3.434 14.217 -6.177 1.00 0.00 C ATOM 387 CD2 TRP A 24 4.663 13.968 -8.036 1.00 0.00 C ATOM 388 NE1 TRP A 24 2.686 14.662 -7.235 1.00 0.00 N ATOM 389 CE2 TRP A 24 3.419 14.505 -8.387 1.00 0.00 C ATOM 390 CE3 TRP A 24 5.607 13.699 -8.990 1.00 0.00 C ATOM 391 CZ2 TRP A 24 3.120 14.777 -9.694 1.00 0.00 C ATOM 392 CZ3 TRP A 24 5.303 13.998 -10.298 1.00 0.00 C ATOM 393 CH2 TRP A 24 4.082 14.527 -10.644 1.00 0.00 C ATOM 0 H TRP A 24 7.848 12.024 -5.022 1.00 0.00 H new ATOM 0 HA TRP A 24 7.283 14.470 -6.468 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.978 12.143 -6.362 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.341 12.793 -4.864 1.00 0.00 H new ATOM 0 HD1 TRP A 24 3.107 14.215 -5.148 1.00 0.00 H new ATOM 0 HE1 TRP A 24 1.743 15.046 -7.177 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.560 13.266 -8.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.156 15.177 -9.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.038 13.814 -11.068 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.875 14.750 -11.680 1.00 0.00 H new ATOM 404 N ASP A 25 7.026 16.066 -4.633 1.00 0.00 N ATOM 405 CA ASP A 25 7.020 17.029 -3.576 1.00 0.00 C ATOM 406 C ASP A 25 5.890 17.987 -3.741 1.00 0.00 C ATOM 407 O ASP A 25 5.176 17.971 -4.743 1.00 0.00 O ATOM 408 CB ASP A 25 8.393 17.716 -3.518 1.00 0.00 C ATOM 409 CG ASP A 25 8.728 18.219 -2.120 1.00 0.00 C ATOM 410 OD1 ASP A 25 8.686 17.402 -1.163 1.00 0.00 O ATOM 411 OD2 ASP A 25 9.046 19.427 -1.960 1.00 0.00 O ATOM 0 H ASP A 25 7.113 16.482 -5.560 1.00 0.00 H new ATOM 0 HA ASP A 25 6.855 16.537 -2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.162 17.015 -3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.408 18.553 -4.216 1.00 0.00 H new ATOM 416 N GLY A 26 5.634 18.856 -2.747 1.00 0.00 N ATOM 417 CA GLY A 26 4.500 19.725 -2.802 1.00 0.00 C ATOM 418 C GLY A 26 4.254 20.485 -1.545 1.00 0.00 C ATOM 419 O GLY A 26 5.157 21.051 -0.928 1.00 0.00 O ATOM 0 H GLY A 26 6.208 18.957 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.637 20.432 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.614 19.134 -3.036 1.00 0.00 H new ATOM 423 N ASP A 27 2.976 20.531 -1.131 1.00 0.00 N ATOM 424 CA ASP A 27 2.511 21.161 0.067 1.00 0.00 C ATOM 425 C ASP A 27 2.670 20.207 1.200 1.00 0.00 C ATOM 426 O ASP A 27 3.075 20.560 2.307 1.00 0.00 O ATOM 427 CB ASP A 27 1.037 21.534 -0.163 1.00 0.00 C ATOM 428 CG ASP A 27 0.491 22.610 0.764 1.00 0.00 C ATOM 429 OD1 ASP A 27 1.270 23.285 1.490 1.00 0.00 O ATOM 430 OD2 ASP A 27 -0.749 22.832 0.719 1.00 0.00 O ATOM 0 H ASP A 27 2.220 20.102 -1.665 1.00 0.00 H new ATOM 0 HA ASP A 27 3.077 22.061 0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.920 21.870 -1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.429 20.636 -0.050 1.00 0.00 H new ATOM 435 N SER A 28 2.381 18.925 0.916 1.00 0.00 N ATOM 436 CA SER A 28 2.432 17.850 1.859 1.00 0.00 C ATOM 437 C SER A 28 3.668 17.035 1.694 1.00 0.00 C ATOM 438 O SER A 28 4.124 16.786 0.579 1.00 0.00 O ATOM 439 CB SER A 28 1.251 16.875 1.711 1.00 0.00 C ATOM 440 OG SER A 28 0.024 17.500 2.065 1.00 0.00 O ATOM 0 H SER A 28 2.098 18.623 -0.016 1.00 0.00 H new ATOM 0 HA SER A 28 2.402 18.334 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.197 16.517 0.683 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.414 16.003 2.344 1.00 0.00 H new ATOM 0 HG SER A 28 -0.711 16.860 1.961 1.00 0.00 H new ATOM 446 N ASP A 29 4.244 16.551 2.808 1.00 0.00 N ATOM 447 CA ASP A 29 5.365 15.663 2.804 1.00 0.00 C ATOM 448 C ASP A 29 4.884 14.258 2.678 1.00 0.00 C ATOM 449 O ASP A 29 3.720 13.947 2.930 1.00 0.00 O ATOM 450 CB ASP A 29 6.201 15.873 4.077 1.00 0.00 C ATOM 451 CG ASP A 29 7.629 15.359 3.958 1.00 0.00 C ATOM 452 OD1 ASP A 29 8.076 15.021 2.829 1.00 0.00 O ATOM 453 OD2 ASP A 29 8.344 15.348 4.996 1.00 0.00 O ATOM 0 H ASP A 29 3.918 16.786 3.745 1.00 0.00 H new ATOM 0 HA ASP A 29 6.009 15.875 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.225 16.936 4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.711 15.371 4.911 1.00 0.00 H new ATOM 458 N ILE A 30 5.784 13.356 2.250 1.00 0.00 N ATOM 459 CA ILE A 30 5.464 12.026 1.834 1.00 0.00 C ATOM 460 C ILE A 30 6.693 11.195 1.969 1.00 0.00 C ATOM 461 O ILE A 30 7.716 11.400 1.319 1.00 0.00 O ATOM 462 CB ILE A 30 4.833 11.969 0.474 1.00 0.00 C ATOM 463 CG1 ILE A 30 4.295 10.583 0.082 1.00 0.00 C ATOM 464 CG2 ILE A 30 5.701 12.617 -0.618 1.00 0.00 C ATOM 465 CD1 ILE A 30 5.305 9.599 -0.507 1.00 0.00 C ATOM 0 H ILE A 30 6.781 13.563 2.191 1.00 0.00 H new ATOM 0 HA ILE A 30 4.690 11.614 2.481 1.00 0.00 H new ATOM 0 HB ILE A 30 3.941 12.590 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.851 10.127 0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.492 10.721 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.191 12.544 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.869 13.666 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.659 12.100 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.804 8.660 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.734 10.019 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.099 9.415 0.217 1.00 0.00 H new ATOM 477 N ASP A 31 6.641 10.206 2.880 1.00 0.00 N ATOM 478 CA ASP A 31 7.645 9.200 3.028 1.00 0.00 C ATOM 479 C ASP A 31 6.968 7.881 2.873 1.00 0.00 C ATOM 480 O ASP A 31 5.935 7.620 3.487 1.00 0.00 O ATOM 481 CB ASP A 31 8.318 9.217 4.410 1.00 0.00 C ATOM 482 CG ASP A 31 8.758 10.613 4.829 1.00 0.00 C ATOM 483 OD1 ASP A 31 9.785 11.131 4.312 1.00 0.00 O ATOM 484 OD2 ASP A 31 8.103 11.166 5.751 1.00 0.00 O ATOM 0 H ASP A 31 5.869 10.104 3.539 1.00 0.00 H new ATOM 0 HA ASP A 31 8.419 9.383 2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.625 8.820 5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.184 8.556 4.396 1.00 0.00 H new ATOM 489 N CYS A 32 7.498 6.960 2.047 1.00 0.00 N ATOM 490 CA CYS A 32 6.998 5.622 2.007 1.00 0.00 C ATOM 491 C CYS A 32 7.766 4.752 2.940 1.00 0.00 C ATOM 492 O CYS A 32 8.950 4.957 3.202 1.00 0.00 O ATOM 493 CB CYS A 32 7.091 5.075 0.574 1.00 0.00 C ATOM 494 SG CYS A 32 6.091 5.991 -0.638 1.00 0.00 S ATOM 0 H CYS A 32 8.272 7.143 1.408 1.00 0.00 H new ATOM 0 HA CYS A 32 5.954 5.626 2.320 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.134 5.094 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.776 4.031 0.574 1.00 0.00 H new ATOM 0 HG CYS A 32 6.237 5.456 -1.814 1.00 0.00 H new ATOM 500 N GLU A 33 7.089 3.737 3.507 1.00 0.00 N ATOM 501 CA GLU A 33 7.614 2.827 4.477 1.00 0.00 C ATOM 502 C GLU A 33 7.938 1.532 3.814 1.00 0.00 C ATOM 503 O GLU A 33 7.160 1.066 2.983 1.00 0.00 O ATOM 504 CB GLU A 33 6.570 2.551 5.572 1.00 0.00 C ATOM 505 CG GLU A 33 6.174 3.804 6.355 1.00 0.00 C ATOM 506 CD GLU A 33 5.082 3.541 7.385 1.00 0.00 C ATOM 507 OE1 GLU A 33 5.262 2.656 8.264 1.00 0.00 O ATOM 508 OE2 GLU A 33 4.034 4.240 7.356 1.00 0.00 O ATOM 0 H GLU A 33 6.116 3.541 3.273 1.00 0.00 H new ATOM 0 HA GLU A 33 8.506 3.270 4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.679 2.119 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.966 1.808 6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.054 4.204 6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.832 4.569 5.658 1.00 0.00 H new ATOM 515 N ILE A 34 9.082 0.910 4.148 1.00 0.00 N ATOM 516 CA ILE A 34 9.554 -0.299 3.546 1.00 0.00 C ATOM 517 C ILE A 34 9.782 -1.284 4.640 1.00 0.00 C ATOM 518 O ILE A 34 10.691 -1.192 5.464 1.00 0.00 O ATOM 519 CB ILE A 34 10.808 -0.194 2.729 1.00 0.00 C ATOM 520 CG1 ILE A 34 10.796 0.975 1.731 1.00 0.00 C ATOM 521 CG2 ILE A 34 11.018 -1.512 1.965 1.00 0.00 C ATOM 522 CD1 ILE A 34 11.263 2.304 2.322 1.00 0.00 C ATOM 0 H ILE A 34 9.707 1.266 4.871 1.00 0.00 H new ATOM 0 HA ILE A 34 8.785 -0.595 2.833 1.00 0.00 H new ATOM 0 HB ILE A 34 11.625 -0.002 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.434 0.722 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.785 1.097 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.927 -1.445 1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.110 -2.334 2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.166 -1.692 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.225 3.077 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.612 2.583 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.286 2.202 2.684 1.00 0.00 H new ATOM 534 N ASN A 35 8.894 -2.294 4.669 1.00 0.00 N ATOM 535 CA ASN A 35 8.882 -3.371 5.610 1.00 0.00 C ATOM 536 C ASN A 35 8.765 -4.678 4.905 1.00 0.00 C ATOM 537 O ASN A 35 7.749 -5.366 4.970 1.00 0.00 O ATOM 538 CB ASN A 35 7.776 -3.113 6.646 1.00 0.00 C ATOM 539 CG ASN A 35 7.688 -4.177 7.731 1.00 0.00 C ATOM 540 OD1 ASN A 35 8.663 -4.835 8.087 1.00 0.00 O ATOM 541 ND2 ASN A 35 6.466 -4.363 8.300 1.00 0.00 N ATOM 0 H ASN A 35 8.135 -2.362 3.991 1.00 0.00 H new ATOM 0 HA ASN A 35 9.824 -3.423 6.156 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.949 -2.144 7.114 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.817 -3.052 6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.347 -5.059 9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.669 -3.807 7.990 1.00 0.00 H new ATOM 548 N GLY A 36 9.826 -5.118 4.206 1.00 0.00 N ATOM 549 CA GLY A 36 9.893 -6.400 3.576 1.00 0.00 C ATOM 550 C GLY A 36 9.040 -6.539 2.360 1.00 0.00 C ATOM 551 O GLY A 36 9.388 -6.079 1.274 1.00 0.00 O ATOM 0 H GLY A 36 10.669 -4.560 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.929 -6.602 3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.600 -7.161 4.299 1.00 0.00 H new ATOM 555 N GLY A 37 7.875 -7.195 2.507 1.00 0.00 N ATOM 556 CA GLY A 37 6.881 -7.303 1.485 1.00 0.00 C ATOM 557 C GLY A 37 5.711 -6.429 1.772 1.00 0.00 C ATOM 558 O GLY A 37 4.596 -6.685 1.321 1.00 0.00 O ATOM 0 H GLY A 37 7.615 -7.669 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.315 -7.029 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.552 -8.339 1.403 1.00 0.00 H new ATOM 562 N VAL A 38 5.933 -5.360 2.560 1.00 0.00 N ATOM 563 CA VAL A 38 4.978 -4.340 2.866 1.00 0.00 C ATOM 564 C VAL A 38 5.552 -3.034 2.432 1.00 0.00 C ATOM 565 O VAL A 38 6.636 -2.648 2.864 1.00 0.00 O ATOM 566 CB VAL A 38 4.694 -4.268 4.337 1.00 0.00 C ATOM 567 CG1 VAL A 38 3.743 -3.105 4.664 1.00 0.00 C ATOM 568 CG2 VAL A 38 4.097 -5.586 4.856 1.00 0.00 C ATOM 0 H VAL A 38 6.834 -5.200 3.010 1.00 0.00 H new ATOM 0 HA VAL A 38 4.044 -4.568 2.352 1.00 0.00 H new ATOM 0 HB VAL A 38 5.646 -4.094 4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.556 -3.079 5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.197 -2.165 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.800 -3.246 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.903 -5.501 5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.164 -5.794 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.801 -6.399 4.679 1.00 0.00 H new ATOM 578 N LEU A 39 4.829 -2.282 1.582 1.00 0.00 N ATOM 579 CA LEU A 39 5.053 -0.886 1.375 1.00 0.00 C ATOM 580 C LEU A 39 3.882 -0.154 1.934 1.00 0.00 C ATOM 581 O LEU A 39 2.731 -0.580 1.845 1.00 0.00 O ATOM 582 CB LEU A 39 5.204 -0.527 -0.113 1.00 0.00 C ATOM 583 CG LEU A 39 6.556 -0.930 -0.727 1.00 0.00 C ATOM 584 CD1 LEU A 39 6.491 -0.785 -2.257 1.00 0.00 C ATOM 585 CD2 LEU A 39 7.723 -0.091 -0.178 1.00 0.00 C ATOM 0 H LEU A 39 4.064 -2.658 1.021 1.00 0.00 H new ATOM 0 HA LEU A 39 5.984 -0.608 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.405 -1.011 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.071 0.548 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 39 6.743 -1.968 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.449 -1.071 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.707 -1.432 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.270 0.251 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.654 -0.415 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.552 0.962 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.791 -0.225 0.902 1.00 0.00 H new ATOM 597 N THR A 40 4.131 0.996 2.584 1.00 0.00 N ATOM 598 CA THR A 40 3.063 1.811 3.078 1.00 0.00 C ATOM 599 C THR A 40 3.358 3.225 2.715 1.00 0.00 C ATOM 600 O THR A 40 4.432 3.749 3.007 1.00 0.00 O ATOM 601 CB THR A 40 2.804 1.747 4.554 1.00 0.00 C ATOM 602 OG1 THR A 40 3.072 0.455 5.074 1.00 0.00 O ATOM 603 CG2 THR A 40 1.307 2.015 4.782 1.00 0.00 C ATOM 0 H THR A 40 5.066 1.361 2.767 1.00 0.00 H new ATOM 0 HA THR A 40 2.159 1.416 2.615 1.00 0.00 H new ATOM 0 HB THR A 40 3.447 2.476 5.047 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.895 0.447 6.038 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.089 1.975 5.849 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.051 3.002 4.396 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.719 1.259 4.262 1.00 0.00 H new ATOM 611 N ILE A 41 2.418 3.896 2.023 1.00 0.00 N ATOM 612 CA ILE A 41 2.642 5.226 1.547 1.00 0.00 C ATOM 613 C ILE A 41 2.049 6.158 2.546 1.00 0.00 C ATOM 614 O ILE A 41 0.843 6.114 2.790 1.00 0.00 O ATOM 615 CB ILE A 41 2.066 5.447 0.181 1.00 0.00 C ATOM 616 CG1 ILE A 41 2.589 4.388 -0.804 1.00 0.00 C ATOM 617 CG2 ILE A 41 2.355 6.880 -0.299 1.00 0.00 C ATOM 618 CD1 ILE A 41 1.730 4.263 -2.063 1.00 0.00 C ATOM 0 H ILE A 41 1.500 3.515 1.793 1.00 0.00 H new ATOM 0 HA ILE A 41 3.712 5.405 1.442 1.00 0.00 H new ATOM 0 HB ILE A 41 0.983 5.334 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.610 4.641 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.629 3.422 -0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.930 7.024 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.908 7.593 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.432 7.040 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.152 3.500 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.715 3.981 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.710 5.219 -2.586 1.00 0.00 H new ATOM 630 N THR A 42 2.910 6.980 3.170 1.00 0.00 N ATOM 631 CA THR A 42 2.526 7.764 4.303 1.00 0.00 C ATOM 632 C THR A 42 2.847 9.210 4.149 1.00 0.00 C ATOM 633 O THR A 42 3.992 9.658 4.143 1.00 0.00 O ATOM 634 CB THR A 42 3.118 7.278 5.592 1.00 0.00 C ATOM 635 OG1 THR A 42 2.723 5.931 5.805 1.00 0.00 O ATOM 636 CG2 THR A 42 2.622 8.073 6.812 1.00 0.00 C ATOM 0 H THR A 42 3.882 7.103 2.887 1.00 0.00 H new ATOM 0 HA THR A 42 1.444 7.642 4.347 1.00 0.00 H new ATOM 0 HB THR A 42 4.198 7.395 5.502 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.459 5.436 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.084 7.677 7.717 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.892 9.123 6.696 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.538 7.983 6.889 1.00 0.00 H new ATOM 644 N PHE A 43 1.777 10.017 4.030 1.00 0.00 N ATOM 645 CA PHE A 43 1.795 11.440 3.892 1.00 0.00 C ATOM 646 C PHE A 43 1.062 12.122 4.995 1.00 0.00 C ATOM 647 O PHE A 43 0.241 11.545 5.707 1.00 0.00 O ATOM 648 CB PHE A 43 1.372 11.927 2.497 1.00 0.00 C ATOM 649 CG PHE A 43 0.183 11.245 1.911 1.00 0.00 C ATOM 650 CD1 PHE A 43 0.331 10.040 1.265 1.00 0.00 C ATOM 651 CD2 PHE A 43 -1.053 11.845 1.932 1.00 0.00 C ATOM 652 CE1 PHE A 43 -0.745 9.423 0.671 1.00 0.00 C ATOM 653 CE2 PHE A 43 -2.129 11.241 1.324 1.00 0.00 C ATOM 654 CZ PHE A 43 -1.981 10.024 0.701 1.00 0.00 C ATOM 0 H PHE A 43 0.828 9.644 4.031 1.00 0.00 H new ATOM 0 HA PHE A 43 2.840 11.736 3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.165 12.996 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.214 11.800 1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.304 9.573 1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.180 12.796 2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.619 8.468 0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.094 11.725 1.336 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.830 9.543 0.238 1.00 0.00 H new ATOM 664 N GLU A 44 1.372 13.418 5.178 1.00 0.00 N ATOM 665 CA GLU A 44 1.064 14.249 6.301 1.00 0.00 C ATOM 666 C GLU A 44 -0.346 14.348 6.773 1.00 0.00 C ATOM 667 O GLU A 44 -0.597 14.597 7.952 1.00 0.00 O ATOM 668 CB GLU A 44 1.580 15.666 6.002 1.00 0.00 C ATOM 669 CG GLU A 44 3.105 15.711 6.113 1.00 0.00 C ATOM 670 CD GLU A 44 3.609 17.136 6.294 1.00 0.00 C ATOM 671 OE1 GLU A 44 3.701 17.892 5.290 1.00 0.00 O ATOM 672 OE2 GLU A 44 3.935 17.501 7.455 1.00 0.00 O ATOM 0 H GLU A 44 1.890 13.933 4.467 1.00 0.00 H new ATOM 0 HA GLU A 44 1.558 13.740 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.273 15.968 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.137 16.376 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.428 15.100 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.549 15.278 5.217 1.00 0.00 H new ATOM 679 N ASN A 45 -1.334 14.114 5.891 1.00 0.00 N ATOM 680 CA ASN A 45 -2.727 14.126 6.210 1.00 0.00 C ATOM 681 C ASN A 45 -3.149 13.027 7.123 1.00 0.00 C ATOM 682 O ASN A 45 -4.269 13.022 7.631 1.00 0.00 O ATOM 683 CB ASN A 45 -3.531 14.081 4.899 1.00 0.00 C ATOM 684 CG ASN A 45 -4.842 14.844 5.016 1.00 0.00 C ATOM 685 OD1 ASN A 45 -5.864 14.336 5.477 1.00 0.00 O ATOM 686 ND2 ASN A 45 -4.827 16.137 4.596 1.00 0.00 N ATOM 0 H ASN A 45 -1.152 13.907 4.909 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.927 15.046 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.934 14.505 4.091 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.736 13.044 4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.673 16.704 4.660 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.970 16.540 4.217 1.00 0.00 H new ATOM 693 N GLY A 46 -2.269 12.049 7.401 1.00 0.00 N ATOM 694 CA GLY A 46 -2.524 10.971 8.305 1.00 0.00 C ATOM 695 C GLY A 46 -3.027 9.777 7.572 1.00 0.00 C ATOM 696 O GLY A 46 -3.754 8.937 8.099 1.00 0.00 O ATOM 0 H GLY A 46 -1.342 12.008 6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.610 10.716 8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.256 11.281 9.051 1.00 0.00 H new ATOM 700 N SER A 47 -2.658 9.715 6.279 1.00 0.00 N ATOM 701 CA SER A 47 -3.159 8.785 5.316 1.00 0.00 C ATOM 702 C SER A 47 -2.374 7.521 5.254 1.00 0.00 C ATOM 703 O SER A 47 -1.256 7.431 5.760 1.00 0.00 O ATOM 704 CB SER A 47 -3.147 9.424 3.916 1.00 0.00 C ATOM 705 OG SER A 47 -3.833 10.667 3.948 1.00 0.00 O ATOM 0 H SER A 47 -1.968 10.354 5.884 1.00 0.00 H new ATOM 0 HA SER A 47 -4.172 8.537 5.634 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.120 9.574 3.583 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.621 8.755 3.197 1.00 0.00 H new ATOM 0 HG SER A 47 -3.545 11.219 3.191 1.00 0.00 H new ATOM 711 N LYS A 48 -2.953 6.476 4.636 1.00 0.00 N ATOM 712 CA LYS A 48 -2.369 5.171 4.696 1.00 0.00 C ATOM 713 C LYS A 48 -2.712 4.370 3.487 1.00 0.00 C ATOM 714 O LYS A 48 -3.792 3.791 3.383 1.00 0.00 O ATOM 715 CB LYS A 48 -2.880 4.484 5.973 1.00 0.00 C ATOM 716 CG LYS A 48 -2.236 3.141 6.324 1.00 0.00 C ATOM 717 CD LYS A 48 -2.689 2.656 7.703 1.00 0.00 C ATOM 718 CE LYS A 48 -2.021 3.385 8.871 1.00 0.00 C ATOM 719 NZ LYS A 48 -2.576 2.947 10.170 1.00 0.00 N ATOM 0 H LYS A 48 -3.818 6.533 4.099 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.282 5.252 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.730 5.165 6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.955 4.332 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.500 2.400 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.151 3.240 6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.769 2.778 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.481 1.589 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.947 3.199 8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.160 4.460 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.102 3.460 10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.596 3.147 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.421 1.925 10.287 1.00 0.00 H new ATOM 733 N ILE A 49 -1.788 4.294 2.512 1.00 0.00 N ATOM 734 CA ILE A 49 -1.970 3.464 1.362 1.00 0.00 C ATOM 735 C ILE A 49 -1.140 2.255 1.623 1.00 0.00 C ATOM 736 O ILE A 49 0.088 2.333 1.623 1.00 0.00 O ATOM 737 CB ILE A 49 -1.482 4.091 0.090 1.00 0.00 C ATOM 738 CG1 ILE A 49 -1.671 5.617 0.051 1.00 0.00 C ATOM 739 CG2 ILE A 49 -2.077 3.380 -1.137 1.00 0.00 C ATOM 740 CD1 ILE A 49 -3.107 6.127 0.149 1.00 0.00 C ATOM 0 H ILE A 49 -0.909 4.811 2.521 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.033 3.267 1.224 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.402 3.947 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.097 6.053 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.238 5.991 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.708 3.854 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.781 2.331 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.164 3.451 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.110 7.216 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.691 5.733 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.547 5.796 1.090 1.00 0.00 H new ATOM 752 N ILE A 50 -1.749 1.091 1.914 1.00 0.00 N ATOM 753 CA ILE A 50 -1.031 -0.053 2.382 1.00 0.00 C ATOM 754 C ILE A 50 -1.054 -1.110 1.333 1.00 0.00 C ATOM 755 O ILE A 50 -2.090 -1.556 0.843 1.00 0.00 O ATOM 756 CB ILE A 50 -1.494 -0.433 3.757 1.00 0.00 C ATOM 757 CG1 ILE A 50 -0.932 -1.789 4.220 1.00 0.00 C ATOM 758 CG2 ILE A 50 -3.021 -0.376 3.925 1.00 0.00 C ATOM 759 CD1 ILE A 50 0.575 -1.740 4.455 1.00 0.00 C ATOM 0 H ILE A 50 -2.754 0.942 1.823 1.00 0.00 H new ATOM 0 HA ILE A 50 0.029 0.156 2.529 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.080 0.332 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.432 -2.092 5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.156 -2.548 3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.286 -0.663 4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.371 0.638 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.490 -1.063 3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.925 -2.720 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.079 -1.464 3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.799 -1.001 5.224 1.00 0.00 H new ATOM 771 N ILE A 51 0.156 -1.503 0.894 1.00 0.00 N ATOM 772 CA ILE A 51 0.397 -2.408 -0.186 1.00 0.00 C ATOM 773 C ILE A 51 1.240 -3.543 0.286 1.00 0.00 C ATOM 774 O ILE A 51 2.348 -3.392 0.798 1.00 0.00 O ATOM 775 CB ILE A 51 1.009 -1.734 -1.379 1.00 0.00 C ATOM 776 CG1 ILE A 51 0.153 -0.493 -1.682 1.00 0.00 C ATOM 777 CG2 ILE A 51 1.064 -2.722 -2.555 1.00 0.00 C ATOM 778 CD1 ILE A 51 0.203 -0.016 -3.133 1.00 0.00 C ATOM 0 H ILE A 51 1.019 -1.167 1.321 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.567 -2.792 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 51 2.036 -1.419 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.883 -0.712 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.479 0.322 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.509 -2.232 -3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.668 -3.586 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.054 -3.050 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.431 0.863 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.229 0.240 -3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.153 -0.810 -3.789 1.00 0.00 H new ATOM 790 N ASN A 52 0.693 -4.764 0.150 1.00 0.00 N ATOM 791 CA ASN A 52 1.258 -5.967 0.681 1.00 0.00 C ATOM 792 C ASN A 52 0.684 -7.097 -0.104 1.00 0.00 C ATOM 793 O ASN A 52 -0.322 -6.999 -0.805 1.00 0.00 O ATOM 794 CB ASN A 52 1.024 -6.038 2.199 1.00 0.00 C ATOM 795 CG ASN A 52 1.295 -7.348 2.926 1.00 0.00 C ATOM 796 OD1 ASN A 52 0.417 -7.891 3.594 1.00 0.00 O ATOM 797 ND2 ASN A 52 2.545 -7.874 2.833 1.00 0.00 N ATOM 0 H ASN A 52 -0.181 -4.920 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 52 2.342 -6.009 0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.642 -5.270 2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.015 -5.767 2.385 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.772 -8.739 3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.256 -7.404 2.272 1.00 0.00 H new ATOM 804 N ARG A 53 1.427 -8.216 -0.044 1.00 0.00 N ATOM 805 CA ARG A 53 1.338 -9.345 -0.917 1.00 0.00 C ATOM 806 C ARG A 53 1.319 -10.619 -0.145 1.00 0.00 C ATOM 807 O ARG A 53 2.023 -10.799 0.848 1.00 0.00 O ATOM 808 CB ARG A 53 2.504 -9.239 -1.914 1.00 0.00 C ATOM 809 CG ARG A 53 3.925 -9.166 -1.349 1.00 0.00 C ATOM 810 CD ARG A 53 4.990 -8.966 -2.429 1.00 0.00 C ATOM 811 NE ARG A 53 6.322 -9.069 -1.770 1.00 0.00 N ATOM 812 CZ ARG A 53 7.516 -8.781 -2.366 1.00 0.00 C ATOM 813 NH1 ARG A 53 7.627 -8.028 -3.499 1.00 0.00 N ATOM 814 NH2 ARG A 53 8.643 -9.285 -1.784 1.00 0.00 N ATOM 0 H ARG A 53 2.145 -8.340 0.670 1.00 0.00 H new ATOM 0 HA ARG A 53 0.401 -9.349 -1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.453 -10.100 -2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.341 -8.352 -2.526 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.983 -8.346 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.139 -10.084 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.890 -9.719 -3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.873 -7.993 -2.907 1.00 0.00 H new ATOM 0 HE ARG A 53 6.344 -9.379 -0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.791 -7.649 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.546 -7.844 -3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.571 -9.851 -0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.557 -9.096 -2.195 1.00 0.00 H new ATOM 828 N GLN A 54 0.445 -11.537 -0.592 1.00 0.00 N ATOM 829 CA GLN A 54 0.310 -12.848 -0.036 1.00 0.00 C ATOM 830 C GLN A 54 1.038 -13.811 -0.911 1.00 0.00 C ATOM 831 O GLN A 54 1.014 -13.737 -2.137 1.00 0.00 O ATOM 832 CB GLN A 54 -1.167 -13.233 0.151 1.00 0.00 C ATOM 833 CG GLN A 54 -2.071 -13.011 -1.062 1.00 0.00 C ATOM 834 CD GLN A 54 -3.479 -13.489 -0.736 1.00 0.00 C ATOM 835 OE1 GLN A 54 -4.264 -12.784 -0.106 1.00 0.00 O ATOM 836 NE2 GLN A 54 -3.803 -14.747 -1.139 1.00 0.00 N ATOM 0 H GLN A 54 -0.192 -11.361 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 54 0.751 -12.872 0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.216 -14.286 0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.568 -12.663 0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.086 -11.954 -1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.681 -13.553 -1.924 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.127 -15.305 -1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.722 -15.132 -0.920 1.00 0.00 H new ATOM 845 N GLU A 55 1.764 -14.738 -0.260 1.00 0.00 N ATOM 846 CA GLU A 55 2.463 -15.834 -0.852 1.00 0.00 C ATOM 847 C GLU A 55 1.629 -16.798 -1.623 1.00 0.00 C ATOM 848 O GLU A 55 2.051 -17.112 -2.735 1.00 0.00 O ATOM 849 CB GLU A 55 3.299 -16.580 0.203 1.00 0.00 C ATOM 850 CG GLU A 55 4.542 -15.831 0.686 1.00 0.00 C ATOM 851 CD GLU A 55 5.861 -16.195 0.023 1.00 0.00 C ATOM 852 OE1 GLU A 55 5.934 -17.081 -0.871 1.00 0.00 O ATOM 853 OE2 GLU A 55 6.892 -15.619 0.465 1.00 0.00 O ATOM 0 H GLU A 55 1.868 -14.718 0.754 1.00 0.00 H new ATOM 0 HA GLU A 55 3.109 -15.368 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.665 -16.794 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.609 -17.539 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.373 -14.764 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.643 -15.997 1.759 1.00 0.00 H new ATOM 860 N PRO A 56 0.524 -17.350 -1.216 1.00 0.00 N ATOM 861 CA PRO A 56 -0.379 -18.014 -2.112 1.00 0.00 C ATOM 862 C PRO A 56 -1.165 -17.049 -2.931 1.00 0.00 C ATOM 863 O PRO A 56 -1.615 -16.033 -2.401 1.00 0.00 O ATOM 864 CB PRO A 56 -1.274 -18.842 -1.195 1.00 0.00 C ATOM 865 CG PRO A 56 -1.343 -18.016 0.099 1.00 0.00 C ATOM 866 CD PRO A 56 0.068 -17.412 0.164 1.00 0.00 C ATOM 0 HA PRO A 56 0.146 -18.628 -2.843 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.263 -18.989 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.855 -19.832 -1.015 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.115 -17.248 0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.563 -18.636 0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.051 -16.421 0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.732 -18.028 0.770 1.00 0.00 H new ATOM 874 N LEU A 57 -1.372 -17.349 -4.225 1.00 0.00 N ATOM 875 CA LEU A 57 -2.030 -16.530 -5.197 1.00 0.00 C ATOM 876 C LEU A 57 -1.252 -15.364 -5.700 1.00 0.00 C ATOM 877 O LEU A 57 -0.737 -14.511 -4.980 1.00 0.00 O ATOM 878 CB LEU A 57 -3.502 -16.194 -4.910 1.00 0.00 C ATOM 879 CG LEU A 57 -4.415 -17.431 -4.983 1.00 0.00 C ATOM 880 CD1 LEU A 57 -4.553 -18.164 -3.637 1.00 0.00 C ATOM 881 CD2 LEU A 57 -5.810 -17.049 -5.504 1.00 0.00 C ATOM 0 H LEU A 57 -1.054 -18.233 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.069 -17.217 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.582 -15.745 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.847 -15.449 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.933 -18.118 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.209 -19.026 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.571 -18.500 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.976 -17.487 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.438 -17.939 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.261 -16.318 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.721 -16.619 -6.502 1.00 0.00 H new ATOM 893 N HIS A 58 -1.156 -15.278 -7.040 1.00 0.00 N ATOM 894 CA HIS A 58 -0.435 -14.292 -7.784 1.00 0.00 C ATOM 895 C HIS A 58 -1.101 -12.963 -7.879 1.00 0.00 C ATOM 896 O HIS A 58 -1.062 -12.314 -8.923 1.00 0.00 O ATOM 897 CB HIS A 58 -0.175 -14.824 -9.202 1.00 0.00 C ATOM 898 CG HIS A 58 0.435 -16.195 -9.181 1.00 0.00 C ATOM 899 ND1 HIS A 58 -0.123 -17.267 -9.828 1.00 0.00 N ATOM 900 CD2 HIS A 58 1.517 -16.666 -8.508 1.00 0.00 C ATOM 901 CE1 HIS A 58 0.585 -18.349 -9.559 1.00 0.00 C ATOM 902 NE2 HIS A 58 1.586 -18.010 -8.767 1.00 0.00 N ATOM 0 H HIS A 58 -1.620 -15.952 -7.649 1.00 0.00 H new ATOM 0 HA HIS A 58 0.490 -14.122 -7.233 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -1.113 -14.852 -9.757 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.488 -14.139 -9.731 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.192 -16.093 -7.889 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.380 -19.344 -9.925 1.00 0.00 H new ATOM 0 HE2 HIS A 58 2.297 -18.646 -8.406 1.00 0.00 H new ATOM 910 N GLN A 59 -1.720 -12.492 -6.781 1.00 0.00 N ATOM 911 CA GLN A 59 -2.560 -11.342 -6.655 1.00 0.00 C ATOM 912 C GLN A 59 -2.033 -10.512 -5.536 1.00 0.00 C ATOM 913 O GLN A 59 -1.784 -11.034 -4.451 1.00 0.00 O ATOM 914 CB GLN A 59 -3.979 -11.778 -6.254 1.00 0.00 C ATOM 915 CG GLN A 59 -4.955 -12.122 -7.381 1.00 0.00 C ATOM 916 CD GLN A 59 -4.541 -13.264 -8.299 1.00 0.00 C ATOM 917 OE1 GLN A 59 -4.467 -14.429 -7.909 1.00 0.00 O ATOM 918 NE2 GLN A 59 -4.364 -12.941 -9.607 1.00 0.00 N ATOM 0 H GLN A 59 -1.618 -12.972 -5.887 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.579 -10.799 -7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.893 -12.650 -5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.421 -10.980 -5.658 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.919 -12.371 -6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.105 -11.230 -7.989 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.430 -11.968 -9.906 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.165 -13.672 -10.290 1.00 0.00 H new ATOM 927 N VAL A 60 -1.862 -9.187 -5.699 1.00 0.00 N ATOM 928 CA VAL A 60 -1.405 -8.324 -4.653 1.00 0.00 C ATOM 929 C VAL A 60 -2.513 -7.395 -4.293 1.00 0.00 C ATOM 930 O VAL A 60 -3.391 -7.138 -5.117 1.00 0.00 O ATOM 931 CB VAL A 60 -0.188 -7.530 -5.026 1.00 0.00 C ATOM 932 CG1 VAL A 60 0.399 -6.716 -3.862 1.00 0.00 C ATOM 933 CG2 VAL A 60 0.926 -8.461 -5.533 1.00 0.00 C ATOM 0 H VAL A 60 -2.046 -8.704 -6.578 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.117 -8.952 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.525 -6.839 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.276 -6.168 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.349 -6.012 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.686 -7.390 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.802 -7.869 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.192 -9.170 -4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.575 -9.004 -6.410 1.00 0.00 H new ATOM 943 N TRP A 61 -2.559 -6.856 -3.061 1.00 0.00 N ATOM 944 CA TRP A 61 -3.612 -5.981 -2.650 1.00 0.00 C ATOM 945 C TRP A 61 -3.373 -4.536 -2.921 1.00 0.00 C ATOM 946 O TRP A 61 -2.238 -4.074 -3.039 1.00 0.00 O ATOM 947 CB TRP A 61 -4.111 -6.307 -1.231 1.00 0.00 C ATOM 948 CG TRP A 61 -3.442 -5.713 -0.014 1.00 0.00 C ATOM 949 CD1 TRP A 61 -2.362 -4.880 0.052 1.00 0.00 C ATOM 950 CD2 TRP A 61 -3.964 -5.795 1.325 1.00 0.00 C ATOM 951 NE1 TRP A 61 -2.221 -4.381 1.319 1.00 0.00 N ATOM 952 CE2 TRP A 61 -3.176 -4.955 2.124 1.00 0.00 C ATOM 953 CE3 TRP A 61 -5.019 -6.483 1.856 1.00 0.00 C ATOM 954 CZ2 TRP A 61 -3.446 -4.805 3.457 1.00 0.00 C ATOM 955 CZ3 TRP A 61 -5.276 -6.331 3.199 1.00 0.00 C ATOM 956 CH2 TRP A 61 -4.504 -5.506 3.984 1.00 0.00 C ATOM 0 H TRP A 61 -1.857 -7.030 -2.342 1.00 0.00 H new ATOM 0 HA TRP A 61 -4.451 -6.195 -3.312 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -5.162 -6.021 -1.189 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -4.071 -7.391 -1.120 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -1.711 -4.648 -0.778 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.524 -3.698 1.616 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -5.631 -7.126 1.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.846 -4.155 4.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -6.099 -6.869 3.645 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.734 -5.407 5.035 1.00 0.00 H new ATOM 967 N LEU A 62 -4.462 -3.761 -3.069 1.00 0.00 N ATOM 968 CA LEU A 62 -4.507 -2.332 -3.053 1.00 0.00 C ATOM 969 C LEU A 62 -5.369 -1.988 -1.885 1.00 0.00 C ATOM 970 O LEU A 62 -6.587 -1.921 -2.036 1.00 0.00 O ATOM 971 CB LEU A 62 -5.230 -1.779 -4.293 1.00 0.00 C ATOM 972 CG LEU A 62 -4.381 -1.430 -5.528 1.00 0.00 C ATOM 973 CD1 LEU A 62 -3.612 -0.113 -5.323 1.00 0.00 C ATOM 974 CD2 LEU A 62 -3.429 -2.557 -5.966 1.00 0.00 C ATOM 0 H LEU A 62 -5.386 -4.169 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.496 -1.925 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.978 -2.511 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.768 -0.880 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.091 -1.301 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.022 0.106 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.319 0.698 -5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.950 -0.209 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.865 -2.237 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.739 -2.787 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.008 -3.447 -6.213 1.00 0.00 H new ATOM 986 N ALA A 63 -4.811 -1.766 -0.683 1.00 0.00 N ATOM 987 CA ALA A 63 -5.600 -1.383 0.448 1.00 0.00 C ATOM 988 C ALA A 63 -5.440 0.070 0.743 1.00 0.00 C ATOM 989 O ALA A 63 -4.445 0.551 1.282 1.00 0.00 O ATOM 990 CB ALA A 63 -5.308 -2.292 1.653 1.00 0.00 C ATOM 0 H ALA A 63 -3.813 -1.851 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.654 -1.526 0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.920 -1.981 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.543 -3.325 1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.254 -2.216 1.919 1.00 0.00 H new ATOM 996 N THR A 64 -6.438 0.862 0.312 1.00 0.00 N ATOM 997 CA THR A 64 -6.443 2.293 0.312 1.00 0.00 C ATOM 998 C THR A 64 -7.860 2.721 0.482 1.00 0.00 C ATOM 999 O THR A 64 -8.776 1.901 0.469 1.00 0.00 O ATOM 1000 CB THR A 64 -5.798 2.816 -0.936 1.00 0.00 C ATOM 1001 OG1 THR A 64 -5.724 4.233 -0.979 1.00 0.00 O ATOM 1002 CG2 THR A 64 -6.493 2.312 -2.211 1.00 0.00 C ATOM 0 H THR A 64 -7.303 0.474 -0.063 1.00 0.00 H new ATOM 0 HA THR A 64 -5.854 2.707 1.130 1.00 0.00 H new ATOM 0 HB THR A 64 -4.782 2.423 -0.903 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.293 4.513 -1.814 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.987 2.720 -3.086 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.451 1.223 -2.242 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.534 2.635 -2.210 1.00 0.00 H new ATOM 1010 N LYS A 65 -8.112 4.030 0.664 1.00 0.00 N ATOM 1011 CA LYS A 65 -9.342 4.607 1.109 1.00 0.00 C ATOM 1012 C LYS A 65 -10.395 4.717 0.061 1.00 0.00 C ATOM 1013 O LYS A 65 -10.960 5.778 -0.198 1.00 0.00 O ATOM 1014 CB LYS A 65 -9.030 5.976 1.739 1.00 0.00 C ATOM 1015 CG LYS A 65 -10.091 6.597 2.649 1.00 0.00 C ATOM 1016 CD LYS A 65 -10.248 5.936 4.020 1.00 0.00 C ATOM 1017 CE LYS A 65 -11.210 6.716 4.917 1.00 0.00 C ATOM 1018 NZ LYS A 65 -11.234 6.199 6.304 1.00 0.00 N ATOM 0 H LYS A 65 -7.400 4.738 0.486 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.774 3.928 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.110 5.879 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.828 6.679 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.847 7.649 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.052 6.562 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.614 4.917 3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.274 5.867 4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.920 7.767 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.215 6.667 4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.900 6.760 6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.536 5.204 6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.282 6.269 6.717 1.00 0.00 H new ATOM 1032 N GLN A 66 -10.716 3.601 -0.618 1.00 0.00 N ATOM 1033 CA GLN A 66 -11.903 3.437 -1.399 1.00 0.00 C ATOM 1034 C GLN A 66 -12.570 2.158 -1.022 1.00 0.00 C ATOM 1035 O GLN A 66 -13.776 1.980 -1.181 1.00 0.00 O ATOM 1036 CB GLN A 66 -11.554 3.479 -2.896 1.00 0.00 C ATOM 1037 CG GLN A 66 -12.671 3.204 -3.903 1.00 0.00 C ATOM 1038 CD GLN A 66 -13.804 4.219 -3.941 1.00 0.00 C ATOM 1039 OE1 GLN A 66 -13.773 5.325 -3.403 1.00 0.00 O ATOM 1040 NE2 GLN A 66 -14.881 3.831 -4.677 1.00 0.00 N ATOM 0 H GLN A 66 -10.119 2.774 -0.622 1.00 0.00 H new ATOM 0 HA GLN A 66 -12.598 4.253 -1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.143 4.464 -3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.759 2.755 -3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.229 3.146 -4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.096 2.224 -3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.893 2.911 -5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.676 4.460 -4.788 1.00 0.00 H new ATOM 1049 N GLY A 67 -11.786 1.206 -0.485 1.00 0.00 N ATOM 1050 CA GLY A 67 -12.159 -0.162 -0.297 1.00 0.00 C ATOM 1051 C GLY A 67 -11.043 -0.999 -0.818 1.00 0.00 C ATOM 1052 O GLY A 67 -10.746 -0.988 -2.012 1.00 0.00 O ATOM 0 H GLY A 67 -10.838 1.403 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.336 -0.371 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.086 -0.384 -0.826 1.00 0.00 H new ATOM 1056 N GLY A 68 -10.332 -1.730 0.060 1.00 0.00 N ATOM 1057 CA GLY A 68 -9.206 -2.520 -0.328 1.00 0.00 C ATOM 1058 C GLY A 68 -9.507 -3.747 -1.120 1.00 0.00 C ATOM 1059 O GLY A 68 -10.215 -4.642 -0.663 1.00 0.00 O ATOM 0 H GLY A 68 -10.543 -1.773 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.531 -1.893 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.668 -2.816 0.573 1.00 0.00 H new ATOM 1063 N TYR A 69 -8.952 -3.826 -2.343 1.00 0.00 N ATOM 1064 CA TYR A 69 -9.165 -4.864 -3.303 1.00 0.00 C ATOM 1065 C TYR A 69 -7.865 -5.542 -3.570 1.00 0.00 C ATOM 1066 O TYR A 69 -6.815 -5.067 -3.140 1.00 0.00 O ATOM 1067 CB TYR A 69 -9.658 -4.285 -4.639 1.00 0.00 C ATOM 1068 CG TYR A 69 -10.912 -3.483 -4.584 1.00 0.00 C ATOM 1069 CD1 TYR A 69 -11.914 -3.666 -3.660 1.00 0.00 C ATOM 1070 CD2 TYR A 69 -11.081 -2.519 -5.549 1.00 0.00 C ATOM 1071 CE1 TYR A 69 -13.048 -2.888 -3.686 1.00 0.00 C ATOM 1072 CE2 TYR A 69 -12.200 -1.719 -5.572 1.00 0.00 C ATOM 1073 CZ TYR A 69 -13.192 -1.908 -4.639 1.00 0.00 C ATOM 1074 OH TYR A 69 -14.344 -1.095 -4.684 1.00 0.00 O ATOM 0 H TYR A 69 -8.308 -3.112 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.909 -5.552 -2.903 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.868 -3.658 -5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.809 -5.110 -5.335 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -11.809 -4.430 -2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.320 -2.387 -6.304 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.827 -3.048 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -12.299 -0.946 -6.320 1.00 0.00 H new ATOM 0 HH TYR A 69 -14.266 -0.458 -5.425 1.00 0.00 H new ATOM 1084 N HIS A 70 -7.825 -6.673 -4.297 1.00 0.00 N ATOM 1085 CA HIS A 70 -6.612 -7.198 -4.842 1.00 0.00 C ATOM 1086 C HIS A 70 -6.696 -7.301 -6.326 1.00 0.00 C ATOM 1087 O HIS A 70 -7.791 -7.255 -6.884 1.00 0.00 O ATOM 1088 CB HIS A 70 -6.191 -8.538 -4.214 1.00 0.00 C ATOM 1089 CG HIS A 70 -7.302 -9.482 -3.866 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -8.077 -10.139 -4.786 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -7.754 -9.856 -2.638 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -8.966 -10.877 -4.146 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -8.800 -10.716 -2.847 1.00 0.00 N ATOM 0 H HIS A 70 -8.650 -7.233 -4.510 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.828 -6.486 -4.585 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.516 -9.043 -4.904 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.623 -8.328 -3.308 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.364 -9.537 -1.683 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.708 -11.509 -4.610 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.359 -11.159 -2.118 1.00 0.00 H new ATOM 1101 N PHE A 71 -5.542 -7.361 -7.013 1.00 0.00 N ATOM 1102 CA PHE A 71 -5.448 -7.161 -8.425 1.00 0.00 C ATOM 1103 C PHE A 71 -4.959 -8.302 -9.250 1.00 0.00 C ATOM 1104 O PHE A 71 -4.219 -9.160 -8.771 1.00 0.00 O ATOM 1105 CB PHE A 71 -4.712 -5.840 -8.712 1.00 0.00 C ATOM 1106 CG PHE A 71 -3.247 -5.666 -8.510 1.00 0.00 C ATOM 1107 CD1 PHE A 71 -2.353 -6.649 -8.155 1.00 0.00 C ATOM 1108 CD2 PHE A 71 -2.753 -4.422 -8.826 1.00 0.00 C ATOM 1109 CE1 PHE A 71 -0.998 -6.416 -8.186 1.00 0.00 C ATOM 1110 CE2 PHE A 71 -1.403 -4.164 -8.820 1.00 0.00 C ATOM 1111 CZ PHE A 71 -0.518 -5.169 -8.505 1.00 0.00 C ATOM 0 H PHE A 71 -4.644 -7.555 -6.570 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.480 -7.095 -8.771 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -4.911 -5.596 -9.755 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.200 -5.076 -8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.720 -7.617 -7.848 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.441 -3.631 -9.085 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.309 -7.216 -7.959 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.039 -3.176 -9.062 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.545 -4.979 -8.508 1.00 0.00 H new ATOM 1121 N ASP A 72 -5.357 -8.353 -10.534 1.00 0.00 N ATOM 1122 CA ASP A 72 -4.952 -9.354 -11.472 1.00 0.00 C ATOM 1123 C ASP A 72 -4.422 -8.717 -12.711 1.00 0.00 C ATOM 1124 O ASP A 72 -4.909 -7.679 -13.154 1.00 0.00 O ATOM 1125 CB ASP A 72 -6.095 -10.278 -11.923 1.00 0.00 C ATOM 1126 CG ASP A 72 -7.107 -10.596 -10.832 1.00 0.00 C ATOM 1127 OD1 ASP A 72 -6.750 -11.350 -9.889 1.00 0.00 O ATOM 1128 OD2 ASP A 72 -8.287 -10.175 -10.968 1.00 0.00 O ATOM 0 H ASP A 72 -5.991 -7.663 -10.937 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.200 -9.943 -10.947 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.615 -9.812 -12.761 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.669 -11.211 -12.291 1.00 0.00 H new ATOM 1133 N LEU A 73 -3.413 -9.316 -13.366 1.00 0.00 N ATOM 1134 CA LEU A 73 -2.801 -8.777 -14.540 1.00 0.00 C ATOM 1135 C LEU A 73 -3.385 -9.361 -15.781 1.00 0.00 C ATOM 1136 O LEU A 73 -3.226 -10.544 -16.083 1.00 0.00 O ATOM 1137 CB LEU A 73 -1.281 -9.010 -14.522 1.00 0.00 C ATOM 1138 CG LEU A 73 -0.482 -8.510 -15.737 1.00 0.00 C ATOM 1139 CD1 LEU A 73 -0.625 -6.992 -15.950 1.00 0.00 C ATOM 1140 CD2 LEU A 73 1.006 -8.862 -15.577 1.00 0.00 C ATOM 0 H LEU A 73 -3.010 -10.205 -13.069 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.997 -7.705 -14.541 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.876 -8.532 -13.630 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.104 -10.080 -14.418 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.894 -9.011 -16.613 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.042 -6.690 -16.820 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.674 -6.745 -16.113 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.261 -6.465 -15.068 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.560 -8.502 -16.444 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.397 -8.390 -14.675 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.118 -9.943 -15.498 1.00 0.00 H new ATOM 1152 N LYS A 74 -4.066 -8.523 -16.580 1.00 0.00 N ATOM 1153 CA LYS A 74 -4.592 -8.865 -17.865 1.00 0.00 C ATOM 1154 C LYS A 74 -3.583 -8.769 -18.956 1.00 0.00 C ATOM 1155 O LYS A 74 -3.801 -9.250 -20.066 1.00 0.00 O ATOM 1156 CB LYS A 74 -5.779 -7.947 -18.204 1.00 0.00 C ATOM 1157 CG LYS A 74 -7.003 -8.176 -17.313 1.00 0.00 C ATOM 1158 CD LYS A 74 -7.667 -9.539 -17.511 1.00 0.00 C ATOM 1159 CE LYS A 74 -8.844 -9.758 -16.558 1.00 0.00 C ATOM 1160 NZ LYS A 74 -9.403 -11.117 -16.732 1.00 0.00 N ATOM 0 H LYS A 74 -4.260 -7.557 -16.317 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.909 -9.906 -17.802 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.462 -6.908 -18.112 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.063 -8.103 -19.245 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.704 -8.076 -16.269 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.736 -7.394 -17.511 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.016 -9.624 -18.540 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.928 -10.326 -17.358 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.516 -9.622 -15.527 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.617 -9.013 -16.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.201 -11.250 -16.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.734 -11.233 -17.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.667 -11.824 -16.529 1.00 0.00 H new ATOM 1174 N GLY A 75 -2.414 -8.161 -18.681 1.00 0.00 N ATOM 1175 CA GLY A 75 -1.337 -8.018 -19.610 1.00 0.00 C ATOM 1176 C GLY A 75 -1.025 -6.571 -19.777 1.00 0.00 C ATOM 1177 O GLY A 75 0.069 -6.100 -19.466 1.00 0.00 O ATOM 0 H GLY A 75 -2.212 -7.751 -17.769 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.458 -8.553 -19.251 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.608 -8.457 -20.570 1.00 0.00 H new ATOM 1181 N ASP A 76 -2.018 -5.805 -20.264 1.00 0.00 N ATOM 1182 CA ASP A 76 -1.932 -4.393 -20.481 1.00 0.00 C ATOM 1183 C ASP A 76 -2.338 -3.592 -19.293 1.00 0.00 C ATOM 1184 O ASP A 76 -1.971 -2.425 -19.164 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.767 -4.045 -21.724 1.00 0.00 C ATOM 1186 CG ASP A 76 -4.193 -4.570 -21.645 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -4.402 -5.800 -21.831 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -5.109 -3.738 -21.414 1.00 0.00 O ATOM 0 H ASP A 76 -2.927 -6.190 -20.519 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.888 -4.128 -20.649 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.790 -2.962 -21.849 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.282 -4.457 -22.609 1.00 0.00 H new ATOM 1193 N GLU A 77 -3.103 -4.182 -18.356 1.00 0.00 N ATOM 1194 CA GLU A 77 -3.657 -3.500 -17.228 1.00 0.00 C ATOM 1195 C GLU A 77 -3.716 -4.481 -16.108 1.00 0.00 C ATOM 1196 O GLU A 77 -4.102 -5.636 -16.286 1.00 0.00 O ATOM 1197 CB GLU A 77 -5.051 -2.938 -17.552 1.00 0.00 C ATOM 1198 CG GLU A 77 -5.497 -1.804 -16.627 1.00 0.00 C ATOM 1199 CD GLU A 77 -4.759 -0.506 -16.921 1.00 0.00 C ATOM 1200 OE1 GLU A 77 -5.000 0.092 -18.004 1.00 0.00 O ATOM 1201 OE2 GLU A 77 -3.940 -0.057 -16.075 1.00 0.00 O ATOM 0 H GLU A 77 -3.345 -5.173 -18.386 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.037 -2.646 -16.953 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.055 -2.577 -18.580 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.779 -3.747 -17.495 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.569 -1.645 -16.739 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.324 -2.093 -15.590 1.00 0.00 H new ATOM 1208 N TRP A 78 -3.322 -4.040 -14.900 1.00 0.00 N ATOM 1209 CA TRP A 78 -3.691 -4.677 -13.673 1.00 0.00 C ATOM 1210 C TRP A 78 -5.067 -4.196 -13.360 1.00 0.00 C ATOM 1211 O TRP A 78 -5.301 -3.017 -13.100 1.00 0.00 O ATOM 1212 CB TRP A 78 -2.719 -4.352 -12.527 1.00 0.00 C ATOM 1213 CG TRP A 78 -1.341 -4.964 -12.613 1.00 0.00 C ATOM 1214 CD1 TRP A 78 -0.186 -4.430 -13.105 1.00 0.00 C ATOM 1215 CD2 TRP A 78 -0.983 -6.224 -12.015 1.00 0.00 C ATOM 1216 NE1 TRP A 78 0.865 -5.276 -12.865 1.00 0.00 N ATOM 1217 CE2 TRP A 78 0.398 -6.376 -12.185 1.00 0.00 C ATOM 1218 CE3 TRP A 78 -1.719 -7.168 -11.354 1.00 0.00 C ATOM 1219 CZ2 TRP A 78 1.044 -7.476 -11.690 1.00 0.00 C ATOM 1220 CZ3 TRP A 78 -1.063 -8.273 -10.868 1.00 0.00 C ATOM 1221 CH2 TRP A 78 0.295 -8.419 -11.024 1.00 0.00 C ATOM 0 H TRP A 78 -2.731 -3.219 -14.772 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.655 -5.761 -13.781 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.608 -3.269 -12.472 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -3.176 -4.673 -11.591 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -0.111 -3.478 -13.610 1.00 0.00 H new ATOM 0 HE1 TRP A 78 1.833 -5.116 -13.144 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -2.784 -7.049 -11.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.109 -7.600 -11.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.624 -9.040 -10.355 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.784 -9.291 -10.616 1.00 0.00 H new ATOM 1232 N ILE A 79 -6.081 -5.075 -13.437 1.00 0.00 N ATOM 1233 CA ILE A 79 -7.443 -4.744 -13.156 1.00 0.00 C ATOM 1234 C ILE A 79 -7.742 -5.361 -11.835 1.00 0.00 C ATOM 1235 O ILE A 79 -7.081 -6.299 -11.392 1.00 0.00 O ATOM 1236 CB ILE A 79 -8.399 -5.104 -14.256 1.00 0.00 C ATOM 1237 CG1 ILE A 79 -9.283 -6.337 -14.002 1.00 0.00 C ATOM 1238 CG2 ILE A 79 -7.659 -5.111 -15.604 1.00 0.00 C ATOM 1239 CD1 ILE A 79 -10.260 -6.647 -15.134 1.00 0.00 C ATOM 0 H ILE A 79 -5.948 -6.050 -13.704 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.583 -3.664 -13.105 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.153 -4.318 -14.286 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.642 -7.204 -13.842 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.847 -6.183 -13.082 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.356 -5.373 -16.400 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.243 -4.122 -15.796 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.852 -5.843 -15.572 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -10.846 -7.530 -14.878 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.928 -5.798 -15.281 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.705 -6.835 -16.053 1.00 0.00 H new ATOM 1251 N CYS A 80 -8.732 -4.835 -11.090 1.00 0.00 N ATOM 1252 CA CYS A 80 -8.998 -5.340 -9.779 1.00 0.00 C ATOM 1253 C CYS A 80 -9.904 -6.523 -9.811 1.00 0.00 C ATOM 1254 O CYS A 80 -10.778 -6.620 -10.672 1.00 0.00 O ATOM 1255 CB CYS A 80 -9.568 -4.249 -8.856 1.00 0.00 C ATOM 1256 SG CYS A 80 -8.433 -2.834 -8.732 1.00 0.00 S ATOM 0 H CYS A 80 -9.339 -4.072 -11.389 1.00 0.00 H new ATOM 0 HA CYS A 80 -8.041 -5.664 -9.370 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.532 -3.913 -9.238 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.745 -4.664 -7.864 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.246 -2.536 -7.480 1.00 0.00 H new ATOM 1262 N ASP A 81 -9.734 -7.480 -8.883 1.00 0.00 N ATOM 1263 CA ASP A 81 -10.514 -8.671 -8.751 1.00 0.00 C ATOM 1264 C ASP A 81 -11.922 -8.384 -8.355 1.00 0.00 C ATOM 1265 O ASP A 81 -12.870 -8.815 -9.008 1.00 0.00 O ATOM 1266 CB ASP A 81 -9.807 -9.593 -7.744 1.00 0.00 C ATOM 1267 CG ASP A 81 -10.421 -10.980 -7.609 1.00 0.00 C ATOM 1268 OD1 ASP A 81 -11.230 -11.402 -8.477 1.00 0.00 O ATOM 1269 OD2 ASP A 81 -10.106 -11.666 -6.600 1.00 0.00 O ATOM 0 H ASP A 81 -9.001 -7.417 -8.177 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.585 -9.168 -9.718 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.764 -9.700 -8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.812 -9.112 -6.766 1.00 0.00 H new ATOM 1274 N ARG A 82 -12.115 -7.605 -7.276 1.00 0.00 N ATOM 1275 CA ARG A 82 -13.387 -7.126 -6.832 1.00 0.00 C ATOM 1276 C ARG A 82 -13.956 -6.148 -7.803 1.00 0.00 C ATOM 1277 O ARG A 82 -13.268 -5.218 -8.222 1.00 0.00 O ATOM 1278 CB ARG A 82 -13.261 -6.408 -5.478 1.00 0.00 C ATOM 1279 CG ARG A 82 -12.948 -7.273 -4.256 1.00 0.00 C ATOM 1280 CD ARG A 82 -14.150 -7.996 -3.648 1.00 0.00 C ATOM 1281 NE ARG A 82 -14.320 -9.292 -4.364 1.00 0.00 N ATOM 1282 CZ ARG A 82 -15.485 -10.006 -4.389 1.00 0.00 C ATOM 1283 NH1 ARG A 82 -16.667 -9.563 -3.872 1.00 0.00 N ATOM 1284 NH2 ARG A 82 -15.501 -11.244 -4.961 1.00 0.00 N ATOM 0 H ARG A 82 -11.345 -7.294 -6.684 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.038 -7.996 -6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.480 -5.653 -5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.195 -5.879 -5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.201 -8.016 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -12.497 -6.642 -3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.993 -8.167 -2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.049 -7.387 -3.744 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.517 -9.670 -4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.719 -8.644 -3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.499 -10.150 -3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.648 -11.630 -5.366 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.366 -11.784 -4.984 1.00 0.00 H new ATOM 1298 N SER A 83 -15.219 -6.349 -8.216 1.00 0.00 N ATOM 1299 CA SER A 83 -15.953 -5.552 -9.149 1.00 0.00 C ATOM 1300 C SER A 83 -15.500 -5.660 -10.565 1.00 0.00 C ATOM 1301 O SER A 83 -16.270 -6.022 -11.452 1.00 0.00 O ATOM 1302 CB SER A 83 -16.112 -4.068 -8.776 1.00 0.00 C ATOM 1303 OG SER A 83 -16.842 -3.905 -7.569 1.00 0.00 O ATOM 0 H SER A 83 -15.771 -7.133 -7.868 1.00 0.00 H new ATOM 0 HA SER A 83 -16.937 -6.014 -9.073 1.00 0.00 H new ATOM 0 HB2 SER A 83 -15.128 -3.612 -8.670 1.00 0.00 H new ATOM 0 HB3 SER A 83 -16.622 -3.542 -9.583 1.00 0.00 H new ATOM 0 HG SER A 83 -16.922 -2.951 -7.362 1.00 0.00 H new ATOM 1309 N GLY A 84 -14.226 -5.318 -10.828 1.00 0.00 N ATOM 1310 CA GLY A 84 -13.630 -5.204 -12.124 1.00 0.00 C ATOM 1311 C GLY A 84 -13.143 -3.808 -12.306 1.00 0.00 C ATOM 1312 O GLY A 84 -13.619 -3.073 -13.170 1.00 0.00 O ATOM 0 H GLY A 84 -13.565 -5.106 -10.080 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.804 -5.908 -12.223 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.356 -5.454 -12.897 1.00 0.00 H new ATOM 1316 N GLU A 85 -12.171 -3.393 -11.475 1.00 0.00 N ATOM 1317 CA GLU A 85 -11.722 -2.038 -11.389 1.00 0.00 C ATOM 1318 C GLU A 85 -10.361 -1.962 -11.993 1.00 0.00 C ATOM 1319 O GLU A 85 -10.045 -2.752 -12.881 1.00 0.00 O ATOM 1320 CB GLU A 85 -11.799 -1.453 -9.969 1.00 0.00 C ATOM 1321 CG GLU A 85 -13.201 -1.441 -9.358 1.00 0.00 C ATOM 1322 CD GLU A 85 -13.966 -0.132 -9.484 1.00 0.00 C ATOM 1323 OE1 GLU A 85 -13.534 0.795 -10.220 1.00 0.00 O ATOM 1324 OE2 GLU A 85 -15.020 -0.007 -8.803 1.00 0.00 O ATOM 0 H GLU A 85 -11.680 -4.023 -10.840 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.400 -1.400 -11.955 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.139 -2.026 -9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.418 -0.432 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.788 -2.230 -9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.118 -1.692 -8.300 1.00 0.00 H new ATOM 1331 N THR A 86 -9.483 -1.022 -11.602 1.00 0.00 N ATOM 1332 CA THR A 86 -8.387 -0.628 -12.433 1.00 0.00 C ATOM 1333 C THR A 86 -7.244 -0.186 -11.587 1.00 0.00 C ATOM 1334 O THR A 86 -7.464 0.667 -10.727 1.00 0.00 O ATOM 1335 CB THR A 86 -8.725 0.583 -13.251 1.00 0.00 C ATOM 1336 OG1 THR A 86 -10.001 0.471 -13.863 1.00 0.00 O ATOM 1337 CG2 THR A 86 -7.712 0.760 -14.395 1.00 0.00 C ATOM 0 H THR A 86 -9.532 -0.533 -10.708 1.00 0.00 H new ATOM 0 HA THR A 86 -8.155 -1.489 -13.060 1.00 0.00 H new ATOM 0 HB THR A 86 -8.709 1.427 -12.562 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.185 1.279 -14.385 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.972 1.643 -14.978 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.712 0.881 -13.980 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.733 -0.119 -15.039 1.00 0.00 H new ATOM 1345 N PHE A 87 -5.999 -0.659 -11.768 1.00 0.00 N ATOM 1346 CA PHE A 87 -4.908 -0.309 -10.911 1.00 0.00 C ATOM 1347 C PHE A 87 -4.613 1.130 -10.664 1.00 0.00 C ATOM 1348 O PHE A 87 -4.993 1.672 -9.627 1.00 0.00 O ATOM 1349 CB PHE A 87 -3.662 -1.055 -11.417 1.00 0.00 C ATOM 1350 CG PHE A 87 -2.380 -0.893 -10.677 1.00 0.00 C ATOM 1351 CD1 PHE A 87 -2.305 -0.591 -9.337 1.00 0.00 C ATOM 1352 CD2 PHE A 87 -1.217 -1.092 -11.385 1.00 0.00 C ATOM 1353 CE1 PHE A 87 -1.084 -0.474 -8.715 1.00 0.00 C ATOM 1354 CE2 PHE A 87 0.008 -1.006 -10.767 1.00 0.00 C ATOM 1355 CZ PHE A 87 0.068 -0.698 -9.428 1.00 0.00 C ATOM 0 H PHE A 87 -5.744 -1.296 -12.523 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.229 -0.618 -9.916 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.899 -2.119 -11.437 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.489 -0.747 -12.448 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.212 -0.445 -8.769 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.267 -1.319 -12.440 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.031 -0.207 -7.670 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.915 -1.179 -11.328 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.026 -0.632 -8.935 1.00 0.00 H new ATOM 1365 N TRP A 88 -3.895 1.830 -11.561 1.00 0.00 N ATOM 1366 CA TRP A 88 -3.346 3.127 -11.311 1.00 0.00 C ATOM 1367 C TRP A 88 -4.381 4.188 -11.152 1.00 0.00 C ATOM 1368 O TRP A 88 -4.179 5.190 -10.467 1.00 0.00 O ATOM 1369 CB TRP A 88 -2.400 3.530 -12.455 1.00 0.00 C ATOM 1370 CG TRP A 88 -1.246 2.603 -12.744 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.128 1.717 -13.776 1.00 0.00 C ATOM 1372 CD2 TRP A 88 -0.004 2.534 -12.017 1.00 0.00 C ATOM 1373 NE1 TRP A 88 0.111 1.133 -13.769 1.00 0.00 N ATOM 1374 CE2 TRP A 88 0.815 1.625 -12.694 1.00 0.00 C ATOM 1375 CE3 TRP A 88 0.432 3.167 -10.886 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 2.079 1.352 -12.246 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.691 2.859 -10.426 1.00 0.00 C ATOM 1378 CH2 TRP A 88 2.505 1.977 -11.097 1.00 0.00 C ATOM 0 H TRP A 88 -3.689 1.479 -12.496 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.807 3.049 -10.367 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -2.991 3.630 -13.365 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -1.995 4.516 -12.229 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -1.904 1.506 -14.497 1.00 0.00 H new ATOM 0 HE1 TRP A 88 0.453 0.450 -14.445 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -0.191 3.884 -10.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 2.722 0.667 -12.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.048 3.320 -9.517 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.494 1.772 -10.716 1.00 0.00 H new ATOM 1389 N ASP A 89 -5.555 3.975 -11.771 1.00 0.00 N ATOM 1390 CA ASP A 89 -6.692 4.845 -11.749 1.00 0.00 C ATOM 1391 C ASP A 89 -7.472 4.753 -10.483 1.00 0.00 C ATOM 1392 O ASP A 89 -7.946 5.758 -9.956 1.00 0.00 O ATOM 1393 CB ASP A 89 -7.529 4.542 -13.003 1.00 0.00 C ATOM 1394 CG ASP A 89 -8.491 5.666 -13.357 1.00 0.00 C ATOM 1395 OD1 ASP A 89 -8.043 6.807 -13.651 1.00 0.00 O ATOM 1396 OD2 ASP A 89 -9.720 5.389 -13.409 1.00 0.00 O ATOM 0 H ASP A 89 -5.722 3.136 -12.326 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.364 5.884 -11.772 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.861 4.363 -13.845 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.094 3.623 -12.844 1.00 0.00 H new ATOM 1401 N LEU A 90 -7.610 3.555 -9.886 1.00 0.00 N ATOM 1402 CA LEU A 90 -8.212 3.378 -8.601 1.00 0.00 C ATOM 1403 C LEU A 90 -7.339 3.911 -7.518 1.00 0.00 C ATOM 1404 O LEU A 90 -7.772 4.617 -6.608 1.00 0.00 O ATOM 1405 CB LEU A 90 -8.444 1.888 -8.295 1.00 0.00 C ATOM 1406 CG LEU A 90 -9.113 1.566 -6.948 1.00 0.00 C ATOM 1407 CD1 LEU A 90 -10.588 2.002 -6.910 1.00 0.00 C ATOM 1408 CD2 LEU A 90 -9.008 0.059 -6.655 1.00 0.00 C ATOM 0 H LEU A 90 -7.293 2.683 -10.310 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.159 3.917 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.057 1.467 -9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.482 1.377 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.584 2.131 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -11.016 1.753 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.654 3.078 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.141 1.484 -7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.484 -0.160 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.507 -0.501 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.958 -0.231 -6.612 1.00 0.00 H new ATOM 1420 N LEU A 91 -6.037 3.592 -7.622 1.00 0.00 N ATOM 1421 CA LEU A 91 -4.956 4.096 -6.831 1.00 0.00 C ATOM 1422 C LEU A 91 -4.937 5.585 -6.764 1.00 0.00 C ATOM 1423 O LEU A 91 -4.892 6.152 -5.674 1.00 0.00 O ATOM 1424 CB LEU A 91 -3.654 3.487 -7.378 1.00 0.00 C ATOM 1425 CG LEU A 91 -2.324 3.895 -6.721 1.00 0.00 C ATOM 1426 CD1 LEU A 91 -1.302 2.749 -6.804 1.00 0.00 C ATOM 1427 CD2 LEU A 91 -1.711 5.135 -7.392 1.00 0.00 C ATOM 0 H LEU A 91 -5.714 2.923 -8.321 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.081 3.794 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.740 2.403 -7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.591 3.735 -8.438 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.550 4.126 -5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.369 3.059 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.695 1.873 -6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.117 2.502 -7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.773 5.390 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.521 4.923 -8.444 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.403 5.973 -7.310 1.00 0.00 H new ATOM 1439 N GLU A 92 -5.059 6.268 -7.916 1.00 0.00 N ATOM 1440 CA GLU A 92 -5.289 7.674 -8.042 1.00 0.00 C ATOM 1441 C GLU A 92 -6.466 8.154 -7.267 1.00 0.00 C ATOM 1442 O GLU A 92 -6.324 9.054 -6.440 1.00 0.00 O ATOM 1443 CB GLU A 92 -5.486 8.092 -9.508 1.00 0.00 C ATOM 1444 CG GLU A 92 -5.810 9.570 -9.734 1.00 0.00 C ATOM 1445 CD GLU A 92 -6.333 9.812 -11.144 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -5.514 9.861 -12.100 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -7.572 9.966 -11.316 1.00 0.00 O ATOM 0 H GLU A 92 -4.992 5.805 -8.822 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.390 8.135 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.580 7.848 -10.062 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.291 7.492 -9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.553 9.897 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.916 10.170 -9.567 1.00 0.00 H new ATOM 1454 N GLN A 93 -7.668 7.588 -7.480 1.00 0.00 N ATOM 1455 CA GLN A 93 -8.886 7.965 -6.837 1.00 0.00 C ATOM 1456 C GLN A 93 -8.800 7.998 -5.349 1.00 0.00 C ATOM 1457 O GLN A 93 -9.098 8.994 -4.693 1.00 0.00 O ATOM 1458 CB GLN A 93 -9.998 6.979 -7.232 1.00 0.00 C ATOM 1459 CG GLN A 93 -11.393 7.351 -6.728 1.00 0.00 C ATOM 1460 CD GLN A 93 -12.500 6.403 -7.168 1.00 0.00 C ATOM 1461 OE1 GLN A 93 -13.680 6.699 -6.991 1.00 0.00 O ATOM 1462 NE2 GLN A 93 -12.143 5.242 -7.780 1.00 0.00 N ATOM 0 H GLN A 93 -7.795 6.822 -8.141 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.102 8.980 -7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.028 6.903 -8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.741 5.991 -6.851 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.374 7.386 -5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.634 8.356 -7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -11.157 5.019 -7.915 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -12.861 4.594 -8.104 1.00 0.00 H new ATOM 1471 N ALA A 94 -8.334 6.880 -4.764 1.00 0.00 N ATOM 1472 CA ALA A 94 -8.198 6.710 -3.351 1.00 0.00 C ATOM 1473 C ALA A 94 -7.168 7.593 -2.732 1.00 0.00 C ATOM 1474 O ALA A 94 -7.411 8.207 -1.696 1.00 0.00 O ATOM 1475 CB ALA A 94 -7.905 5.224 -3.083 1.00 0.00 C ATOM 0 H ALA A 94 -8.040 6.062 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.132 7.013 -2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.796 5.062 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.728 4.617 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.983 4.938 -3.589 1.00 0.00 H new ATOM 1481 N ALA A 95 -5.993 7.756 -3.367 1.00 0.00 N ATOM 1482 CA ALA A 95 -4.960 8.632 -2.908 1.00 0.00 C ATOM 1483 C ALA A 95 -5.330 10.075 -2.991 1.00 0.00 C ATOM 1484 O ALA A 95 -4.998 10.872 -2.115 1.00 0.00 O ATOM 1485 CB ALA A 95 -3.677 8.397 -3.723 1.00 0.00 C ATOM 0 H ALA A 95 -5.755 7.262 -4.227 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.802 8.398 -1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.893 9.067 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.353 7.363 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.874 8.594 -4.777 1.00 0.00 H new ATOM 1491 N THR A 96 -6.086 10.457 -4.035 1.00 0.00 N ATOM 1492 CA THR A 96 -6.641 11.761 -4.235 1.00 0.00 C ATOM 1493 C THR A 96 -7.578 12.149 -3.143 1.00 0.00 C ATOM 1494 O THR A 96 -7.456 13.227 -2.565 1.00 0.00 O ATOM 1495 CB THR A 96 -7.327 11.900 -5.561 1.00 0.00 C ATOM 1496 OG1 THR A 96 -6.378 11.724 -6.603 1.00 0.00 O ATOM 1497 CG2 THR A 96 -7.975 13.277 -5.777 1.00 0.00 C ATOM 0 H THR A 96 -6.325 9.813 -4.789 1.00 0.00 H new ATOM 0 HA THR A 96 -5.789 12.441 -4.221 1.00 0.00 H new ATOM 0 HB THR A 96 -8.111 11.143 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.268 10.768 -6.787 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.452 13.305 -6.757 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.723 13.452 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.210 14.052 -5.724 1.00 0.00 H new ATOM 1505 N GLN A 97 -8.511 11.261 -2.750 1.00 0.00 N ATOM 1506 CA GLN A 97 -9.414 11.540 -1.677 1.00 0.00 C ATOM 1507 C GLN A 97 -8.832 11.385 -0.315 1.00 0.00 C ATOM 1508 O GLN A 97 -9.406 11.840 0.673 1.00 0.00 O ATOM 1509 CB GLN A 97 -10.761 10.814 -1.833 1.00 0.00 C ATOM 1510 CG GLN A 97 -10.758 9.289 -1.701 1.00 0.00 C ATOM 1511 CD GLN A 97 -12.071 8.704 -2.201 1.00 0.00 C ATOM 1512 OE1 GLN A 97 -12.961 9.379 -2.719 1.00 0.00 O ATOM 1513 NE2 GLN A 97 -12.210 7.359 -2.054 1.00 0.00 N ATOM 0 H GLN A 97 -8.639 10.345 -3.179 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.617 12.607 -1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.448 11.215 -1.088 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.169 11.067 -2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.928 8.871 -2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -10.603 9.009 -0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.464 6.813 -1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.060 6.896 -2.375 1.00 0.00 H new ATOM 1522 N GLN A 98 -7.625 10.803 -0.190 1.00 0.00 N ATOM 1523 CA GLN A 98 -6.808 10.894 0.979 1.00 0.00 C ATOM 1524 C GLN A 98 -6.114 12.207 1.101 1.00 0.00 C ATOM 1525 O GLN A 98 -6.166 12.847 2.149 1.00 0.00 O ATOM 1526 CB GLN A 98 -5.795 9.739 1.036 1.00 0.00 C ATOM 1527 CG GLN A 98 -6.398 8.395 1.449 1.00 0.00 C ATOM 1528 CD GLN A 98 -6.376 8.139 2.951 1.00 0.00 C ATOM 1529 OE1 GLN A 98 -5.574 7.343 3.438 1.00 0.00 O ATOM 1530 NE2 GLN A 98 -7.262 8.810 3.732 1.00 0.00 N ATOM 0 H GLN A 98 -7.202 10.247 -0.934 1.00 0.00 H new ATOM 0 HA GLN A 98 -7.482 10.813 1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.330 9.630 0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.003 10.000 1.738 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.429 8.348 1.098 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.854 7.595 0.947 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.919 9.466 3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.270 8.658 4.741 1.00 0.00 H new ATOM 1539 N ALA A 99 -5.424 12.681 0.048 1.00 0.00 N ATOM 1540 CA ALA A 99 -4.636 13.873 0.093 1.00 0.00 C ATOM 1541 C ALA A 99 -5.395 15.149 -0.037 1.00 0.00 C ATOM 1542 O ALA A 99 -5.113 16.125 0.654 1.00 0.00 O ATOM 1543 CB ALA A 99 -3.586 13.817 -1.030 1.00 0.00 C ATOM 0 H ALA A 99 -5.414 12.221 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.193 13.889 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.979 14.722 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.946 12.946 -0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.088 13.743 -1.995 1.00 0.00 H new ATOM 1549 N GLY A 100 -6.369 15.210 -0.964 1.00 0.00 N ATOM 1550 CA GLY A 100 -7.097 16.394 -1.299 1.00 0.00 C ATOM 1551 C GLY A 100 -6.534 17.108 -2.480 1.00 0.00 C ATOM 1552 O GLY A 100 -6.784 18.297 -2.672 1.00 0.00 O ATOM 0 H GLY A 100 -6.662 14.396 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.135 16.131 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.100 17.067 -0.442 1.00 0.00 H new ATOM 1556 N GLU A 101 -5.765 16.399 -3.326 1.00 0.00 N ATOM 1557 CA GLU A 101 -5.254 16.878 -4.573 1.00 0.00 C ATOM 1558 C GLU A 101 -4.964 15.666 -5.388 1.00 0.00 C ATOM 1559 O GLU A 101 -4.934 14.567 -4.836 1.00 0.00 O ATOM 1560 CB GLU A 101 -4.013 17.778 -4.445 1.00 0.00 C ATOM 1561 CG GLU A 101 -2.765 17.138 -3.834 1.00 0.00 C ATOM 1562 CD GLU A 101 -1.647 18.158 -3.668 1.00 0.00 C ATOM 1563 OE1 GLU A 101 -1.176 18.733 -4.685 1.00 0.00 O ATOM 1564 OE2 GLU A 101 -1.229 18.415 -2.507 1.00 0.00 O ATOM 0 H GLU A 101 -5.485 15.438 -3.128 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.995 17.526 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.756 18.147 -5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.281 18.645 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.013 16.705 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.424 16.321 -4.470 1.00 0.00 H new ATOM 1571 N THR A 102 -4.774 15.779 -6.715 1.00 0.00 N ATOM 1572 CA THR A 102 -4.637 14.645 -7.577 1.00 0.00 C ATOM 1573 C THR A 102 -3.332 13.945 -7.417 1.00 0.00 C ATOM 1574 O THR A 102 -2.299 14.390 -7.917 1.00 0.00 O ATOM 1575 CB THR A 102 -4.819 14.946 -9.036 1.00 0.00 C ATOM 1576 OG1 THR A 102 -6.069 15.581 -9.262 1.00 0.00 O ATOM 1577 CG2 THR A 102 -4.833 13.662 -9.882 1.00 0.00 C ATOM 0 H THR A 102 -4.714 16.675 -7.199 1.00 0.00 H new ATOM 0 HA THR A 102 -5.452 13.998 -7.253 1.00 0.00 H new ATOM 0 HB THR A 102 -3.984 15.586 -9.322 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.171 15.772 -10.218 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.967 13.920 -10.933 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.889 13.133 -9.756 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.654 13.022 -9.558 1.00 0.00 H new ATOM 1585 N VAL A 103 -3.315 12.797 -6.719 1.00 0.00 N ATOM 1586 CA VAL A 103 -2.127 12.040 -6.476 1.00 0.00 C ATOM 1587 C VAL A 103 -2.033 10.919 -7.453 1.00 0.00 C ATOM 1588 O VAL A 103 -2.466 9.789 -7.230 1.00 0.00 O ATOM 1589 CB VAL A 103 -2.044 11.495 -5.081 1.00 0.00 C ATOM 1590 CG1 VAL A 103 -0.609 11.036 -4.771 1.00 0.00 C ATOM 1591 CG2 VAL A 103 -2.448 12.559 -4.047 1.00 0.00 C ATOM 0 H VAL A 103 -4.153 12.382 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.290 12.728 -6.598 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.730 10.650 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.564 10.643 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.316 10.257 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.072 11.882 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.379 12.137 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.779 13.416 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.473 12.879 -4.236 1.00 0.00 H new ATOM 1601 N SER A 104 -1.463 11.230 -8.631 1.00 0.00 N ATOM 1602 CA SER A 104 -1.434 10.393 -9.790 1.00 0.00 C ATOM 1603 C SER A 104 -0.065 9.964 -10.196 1.00 0.00 C ATOM 1604 O SER A 104 0.943 10.592 -9.878 1.00 0.00 O ATOM 1605 CB SER A 104 -2.097 11.066 -11.003 1.00 0.00 C ATOM 1606 OG SER A 104 -1.600 12.368 -11.274 1.00 0.00 O ATOM 0 H SER A 104 -0.993 12.122 -8.783 1.00 0.00 H new ATOM 0 HA SER A 104 -1.995 9.509 -9.488 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.948 10.439 -11.882 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.172 11.125 -10.832 1.00 0.00 H new ATOM 0 HG SER A 104 -2.061 12.738 -12.056 1.00 0.00 H new ATOM 1612 N PHE A 105 0.015 8.838 -10.931 1.00 0.00 N ATOM 1613 CA PHE A 105 1.161 8.395 -11.661 1.00 0.00 C ATOM 1614 C PHE A 105 0.977 8.669 -13.115 1.00 0.00 C ATOM 1615 O PHE A 105 1.941 8.951 -13.824 1.00 0.00 O ATOM 1616 CB PHE A 105 1.341 6.874 -11.515 1.00 0.00 C ATOM 1617 CG PHE A 105 1.938 6.475 -10.209 1.00 0.00 C ATOM 1618 CD1 PHE A 105 1.239 6.551 -9.027 1.00 0.00 C ATOM 1619 CD2 PHE A 105 3.215 5.962 -10.198 1.00 0.00 C ATOM 1620 CE1 PHE A 105 1.825 6.163 -7.844 1.00 0.00 C ATOM 1621 CE2 PHE A 105 3.799 5.551 -9.024 1.00 0.00 C ATOM 1622 CZ PHE A 105 3.107 5.670 -7.841 1.00 0.00 C ATOM 0 H PHE A 105 -0.774 8.197 -11.019 1.00 0.00 H new ATOM 0 HA PHE A 105 2.027 8.925 -11.265 1.00 0.00 H new ATOM 0 HB2 PHE A 105 0.372 6.388 -11.628 1.00 0.00 H new ATOM 0 HB3 PHE A 105 1.976 6.511 -12.323 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.223 6.918 -9.027 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.765 5.881 -11.124 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.277 6.246 -6.917 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.796 5.137 -9.030 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.571 5.376 -6.911 1.00 0.00 H new ATOM 1632 N ARG A 106 -0.264 8.566 -13.624 1.00 0.00 N ATOM 1633 CA ARG A 106 -0.560 8.756 -15.011 1.00 0.00 C ATOM 1634 C ARG A 106 -1.046 10.179 -15.237 1.00 0.00 C ATOM 1635 O ARG A 106 -2.154 10.532 -14.751 1.00 0.00 O ATOM 1636 CB ARG A 106 -1.622 7.797 -15.574 1.00 0.00 C ATOM 1637 CG ARG A 106 -1.322 6.304 -15.423 1.00 0.00 C ATOM 1638 CD ARG A 106 -0.005 5.874 -16.071 1.00 0.00 C ATOM 1639 NE ARG A 106 -0.064 4.395 -16.241 1.00 0.00 N ATOM 1640 CZ ARG A 106 1.012 3.643 -16.613 1.00 0.00 C ATOM 1641 NH1 ARG A 106 2.244 4.206 -16.782 1.00 0.00 N ATOM 1642 NH2 ARG A 106 0.851 2.311 -16.859 1.00 0.00 N ATOM 1643 OXT ARG A 106 -0.334 10.959 -15.926 1.00 0.00 O ATOM 0 H ARG A 106 -1.083 8.345 -13.057 1.00 0.00 H new ATOM 0 HA ARG A 106 0.371 8.548 -15.538 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.572 8.008 -15.082 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.756 8.016 -16.633 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.294 6.053 -14.363 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.138 5.732 -15.864 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.130 6.367 -17.033 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.842 6.157 -15.446 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.952 3.922 -16.071 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.373 5.206 -16.630 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.036 3.626 -17.060 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.070 1.883 -16.765 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.651 1.743 -17.137 1.00 0.00 H new