USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 702 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 88 ASN :FLIP amide:sc= -2.36! C(o=-3!,f=-2.3!) USER MOD Set 1.2: A 89 SER OG : rot 180:sc= 0.0803 USER MOD Set 2.1: A 60 THR OG1 : rot -59:sc= 1.02 USER MOD Set 2.2: A 67 ASN : amide:sc= -3.58! C(o=-2.6!,f=-5.4!) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0505) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 170:sc= -0.0254 USER MOD Single : A 57 TYR OH : rot -53:sc= 0.811 USER MOD Single : A 58 THR OG1 : rot 23:sc= 0.235 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0509 F(o=-2.1!,f=-0.051) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= -0.0999 (180deg=-0.522) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -6.48! C(o=-6.5!,f=-7.8!) USER MOD Single : A 78 LYS NZ :NH3+ -148:sc= -0.0841 (180deg=-0.579) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 150:sc= -0.666 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.197 K(o=-0.2,f=-0.84) USER MOD Single : A 96 HIS : no HE2:sc= 0.338 K(o=0.34,f=-1.4) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 62:sc= 0.72 USER MOD Single : A 112 LYS NZ :NH3+ 159:sc= -0.0423 (180deg=-0.446) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.354 -9.218 -14.427 1.00 0.00 N ATOM 2 CA LEU A 17 2.265 -8.391 -13.602 1.00 0.00 C ATOM 3 C LEU A 17 3.672 -8.970 -13.656 1.00 0.00 C ATOM 4 O LEU A 17 4.289 -9.234 -12.641 1.00 0.00 O ATOM 5 CB LEU A 17 1.770 -8.382 -12.133 1.00 0.00 C ATOM 6 CG LEU A 17 2.091 -7.029 -11.440 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.053 -6.783 -10.351 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.481 -7.087 -10.794 1.00 0.00 C ATOM 0 HA LEU A 17 2.276 -7.372 -13.990 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.695 -8.560 -12.108 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.241 -9.196 -11.583 1.00 0.00 H new ATOM 0 HG LEU A 17 2.071 -6.228 -12.179 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.264 -5.836 -9.854 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.059 -6.745 -10.797 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.092 -7.592 -9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.698 -6.134 -10.311 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.504 -7.884 -10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.231 -7.284 -11.561 1.00 0.00 H new ATOM 22 N GLN A 18 4.156 -9.157 -14.842 1.00 0.00 N ATOM 23 CA GLN A 18 5.516 -9.715 -14.984 1.00 0.00 C ATOM 24 C GLN A 18 6.535 -8.653 -14.632 1.00 0.00 C ATOM 25 O GLN A 18 7.716 -8.920 -14.526 1.00 0.00 O ATOM 26 CB GLN A 18 5.725 -10.158 -16.445 1.00 0.00 C ATOM 27 CG GLN A 18 5.434 -8.984 -17.384 1.00 0.00 C ATOM 28 CD GLN A 18 5.492 -9.474 -18.834 1.00 0.00 C ATOM 29 OE1 GLN A 18 5.804 -10.719 -19.071 1.00 0.00 O flip ATOM 30 NE2 GLN A 18 5.251 -8.728 -19.762 1.00 0.00 N flip ATOM 0 H GLN A 18 3.671 -8.949 -15.715 1.00 0.00 H new ATOM 0 HA GLN A 18 5.637 -10.568 -14.317 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.748 -10.506 -16.587 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.068 -10.996 -16.679 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.451 -8.565 -17.168 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.162 -8.188 -17.227 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.007 -7.754 -19.583 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.293 -9.076 -20.720 1.00 0.00 H new ATOM 39 N ASP A 19 6.049 -7.456 -14.459 1.00 0.00 N ATOM 40 CA ASP A 19 6.943 -6.346 -14.114 1.00 0.00 C ATOM 41 C ASP A 19 6.140 -5.115 -13.756 1.00 0.00 C ATOM 42 O ASP A 19 6.588 -4.268 -13.010 1.00 0.00 O ATOM 43 CB ASP A 19 7.793 -6.028 -15.332 1.00 0.00 C ATOM 44 CG ASP A 19 9.263 -5.935 -14.919 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.698 -6.863 -14.258 1.00 0.00 O ATOM 46 OD2 ASP A 19 9.867 -4.940 -15.286 1.00 0.00 O ATOM 0 H ASP A 19 5.063 -7.209 -14.545 1.00 0.00 H new ATOM 0 HA ASP A 19 7.561 -6.629 -13.262 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.665 -6.801 -16.089 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.470 -5.088 -15.779 1.00 0.00 H new ATOM 51 N ALA A 20 4.965 -5.040 -14.297 1.00 0.00 N ATOM 52 CA ALA A 20 4.103 -3.869 -14.003 1.00 0.00 C ATOM 53 C ALA A 20 4.862 -2.564 -14.267 1.00 0.00 C ATOM 54 O ALA A 20 5.821 -2.541 -15.013 1.00 0.00 O ATOM 55 CB ALA A 20 3.705 -3.932 -12.514 1.00 0.00 C ATOM 0 H ALA A 20 4.563 -5.734 -14.927 1.00 0.00 H new ATOM 0 HA ALA A 20 3.222 -3.892 -14.644 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.070 -3.080 -12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.162 -4.857 -12.321 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.602 -3.903 -11.896 1.00 0.00 H new ATOM 61 N GLU A 21 4.411 -1.505 -13.653 1.00 0.00 N ATOM 62 CA GLU A 21 5.078 -0.195 -13.844 1.00 0.00 C ATOM 63 C GLU A 21 5.113 0.573 -12.531 1.00 0.00 C ATOM 64 O GLU A 21 6.132 1.109 -12.144 1.00 0.00 O ATOM 65 CB GLU A 21 4.271 0.615 -14.867 1.00 0.00 C ATOM 66 CG GLU A 21 4.717 2.075 -14.816 1.00 0.00 C ATOM 67 CD GLU A 21 4.557 2.702 -16.201 1.00 0.00 C ATOM 68 OE1 GLU A 21 3.451 2.618 -16.707 1.00 0.00 O ATOM 69 OE2 GLU A 21 5.550 3.228 -16.675 1.00 0.00 O ATOM 0 H GLU A 21 3.606 -1.495 -13.026 1.00 0.00 H new ATOM 0 HA GLU A 21 6.099 -0.355 -14.192 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.421 0.211 -15.868 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.206 0.540 -14.649 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.122 2.623 -14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.756 2.138 -14.493 1.00 0.00 H new ATOM 76 N TRP A 22 3.991 0.609 -11.867 1.00 0.00 N ATOM 77 CA TRP A 22 3.929 1.334 -10.571 1.00 0.00 C ATOM 78 C TRP A 22 4.783 0.618 -9.539 1.00 0.00 C ATOM 79 O TRP A 22 5.287 1.216 -8.610 1.00 0.00 O ATOM 80 CB TRP A 22 2.468 1.360 -10.105 1.00 0.00 C ATOM 81 CG TRP A 22 1.577 0.874 -11.263 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.218 1.640 -12.279 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.143 -0.364 -11.429 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.545 0.811 -13.090 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.451 -0.482 -12.624 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.275 -1.480 -10.618 1.00 0.00 C ATOM 87 CZ2 TRP A 22 -0.090 -1.688 -12.999 1.00 0.00 C ATOM 88 CZ3 TRP A 22 0.727 -2.682 -10.999 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.048 -2.783 -12.187 1.00 0.00 C ATOM 0 H TRP A 22 3.120 0.170 -12.165 1.00 0.00 H new ATOM 0 HA TRP A 22 4.305 2.350 -10.691 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.337 0.720 -9.232 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.184 2.369 -9.806 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.420 2.691 -12.423 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.138 1.112 -13.976 1.00 0.00 H new ATOM 0 HE3 TRP A 22 1.810 -1.405 -9.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.624 -1.773 -13.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.831 -3.548 -10.362 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.379 -3.730 -12.483 1.00 0.00 H new ATOM 100 N TYR A 23 4.922 -0.660 -9.734 1.00 0.00 N ATOM 101 CA TYR A 23 5.736 -1.480 -8.800 1.00 0.00 C ATOM 102 C TYR A 23 7.160 -1.582 -9.340 1.00 0.00 C ATOM 103 O TYR A 23 7.358 -1.903 -10.493 1.00 0.00 O ATOM 104 CB TYR A 23 5.127 -2.899 -8.758 1.00 0.00 C ATOM 105 CG TYR A 23 3.806 -2.946 -7.932 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.121 -1.788 -7.542 1.00 0.00 C ATOM 107 CD2 TYR A 23 3.268 -4.171 -7.589 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.941 -1.882 -6.836 1.00 0.00 C ATOM 109 CE2 TYR A 23 2.085 -4.252 -6.884 1.00 0.00 C ATOM 110 CZ TYR A 23 1.414 -3.112 -6.504 1.00 0.00 C ATOM 111 OH TYR A 23 0.231 -3.199 -5.799 1.00 0.00 O ATOM 0 H TYR A 23 4.503 -1.176 -10.507 1.00 0.00 H new ATOM 0 HA TYR A 23 5.746 -1.030 -7.807 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.930 -3.239 -9.775 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.850 -3.591 -8.325 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.519 -0.817 -7.796 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.780 -5.077 -7.876 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.423 -0.982 -6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.681 -5.220 -6.628 1.00 0.00 H new ATOM 0 HH TYR A 23 0.006 -4.142 -5.652 1.00 0.00 H new ATOM 121 N TRP A 24 8.130 -1.310 -8.511 1.00 0.00 N ATOM 122 CA TRP A 24 9.530 -1.397 -9.001 1.00 0.00 C ATOM 123 C TRP A 24 10.065 -2.799 -8.810 1.00 0.00 C ATOM 124 O TRP A 24 10.705 -3.353 -9.679 1.00 0.00 O ATOM 125 CB TRP A 24 10.419 -0.434 -8.190 1.00 0.00 C ATOM 126 CG TRP A 24 9.920 1.021 -8.305 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.783 1.413 -8.883 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.557 2.042 -7.799 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.771 2.743 -8.683 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.871 3.220 -8.000 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.768 2.053 -7.140 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.392 4.406 -7.544 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.293 3.243 -6.682 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.604 4.421 -6.883 1.00 0.00 C ATOM 0 H TRP A 24 8.016 -1.037 -7.535 1.00 0.00 H new ATOM 0 HA TRP A 24 9.543 -1.135 -10.059 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.426 -0.737 -7.143 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.447 -0.497 -8.547 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.047 0.807 -9.391 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.015 3.346 -9.008 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.305 1.130 -6.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.853 5.328 -7.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.242 3.253 -6.167 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.012 5.354 -6.524 1.00 0.00 H new ATOM 145 N GLY A 25 9.791 -3.343 -7.674 1.00 0.00 N ATOM 146 CA GLY A 25 10.269 -4.718 -7.380 1.00 0.00 C ATOM 147 C GLY A 25 10.489 -4.888 -5.885 1.00 0.00 C ATOM 148 O GLY A 25 11.542 -5.303 -5.454 1.00 0.00 O ATOM 0 H GLY A 25 9.255 -2.899 -6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.540 -5.448 -7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.198 -4.910 -7.916 1.00 0.00 H new ATOM 152 N ASP A 26 9.479 -4.572 -5.132 1.00 0.00 N ATOM 153 CA ASP A 26 9.585 -4.698 -3.668 1.00 0.00 C ATOM 154 C ASP A 26 10.893 -4.080 -3.165 1.00 0.00 C ATOM 155 O ASP A 26 11.942 -4.687 -3.250 1.00 0.00 O ATOM 156 CB ASP A 26 9.555 -6.193 -3.332 1.00 0.00 C ATOM 157 CG ASP A 26 9.043 -6.970 -4.544 1.00 0.00 C ATOM 158 OD1 ASP A 26 8.046 -6.524 -5.088 1.00 0.00 O ATOM 159 OD2 ASP A 26 9.676 -7.964 -4.858 1.00 0.00 O ATOM 0 H ASP A 26 8.581 -4.230 -5.475 1.00 0.00 H new ATOM 0 HA ASP A 26 8.761 -4.172 -3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.553 -6.537 -3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.910 -6.372 -2.471 1.00 0.00 H new ATOM 164 N ILE A 27 10.797 -2.878 -2.624 1.00 0.00 N ATOM 165 CA ILE A 27 12.027 -2.197 -2.108 1.00 0.00 C ATOM 166 C ILE A 27 11.932 -1.911 -0.602 1.00 0.00 C ATOM 167 O ILE A 27 11.863 -2.817 0.200 1.00 0.00 O ATOM 168 CB ILE A 27 12.198 -0.869 -2.858 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.880 -0.030 -2.806 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.603 -1.177 -4.319 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.961 -0.292 -4.020 1.00 0.00 C ATOM 0 H ILE A 27 9.930 -2.351 -2.521 1.00 0.00 H new ATOM 0 HA ILE A 27 12.880 -2.856 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 27 12.978 -0.275 -2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.340 -0.265 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.130 1.030 -2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.729 -0.243 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.541 -1.731 -4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.825 -1.774 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.061 0.316 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.488 -0.031 -4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.685 -1.346 -4.047 1.00 0.00 H new ATOM 183 N SER A 28 11.952 -0.652 -0.250 1.00 0.00 N ATOM 184 CA SER A 28 11.864 -0.288 1.181 1.00 0.00 C ATOM 185 C SER A 28 11.655 1.214 1.339 1.00 0.00 C ATOM 186 O SER A 28 11.866 1.970 0.411 1.00 0.00 O ATOM 187 CB SER A 28 13.179 -0.677 1.871 1.00 0.00 C ATOM 188 OG SER A 28 14.172 -0.436 0.885 1.00 0.00 O ATOM 0 H SER A 28 12.026 0.134 -0.896 1.00 0.00 H new ATOM 0 HA SER A 28 11.021 -0.814 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.352 -0.079 2.766 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.172 -1.721 2.183 1.00 0.00 H new ATOM 0 HG SER A 28 15.054 -0.660 1.248 1.00 0.00 H new ATOM 194 N ARG A 29 11.232 1.620 2.512 1.00 0.00 N ATOM 195 CA ARG A 29 11.003 3.068 2.751 1.00 0.00 C ATOM 196 C ARG A 29 12.115 3.886 2.144 1.00 0.00 C ATOM 197 O ARG A 29 11.888 4.927 1.568 1.00 0.00 O ATOM 198 CB ARG A 29 10.984 3.322 4.263 1.00 0.00 C ATOM 199 CG ARG A 29 9.902 2.464 4.926 1.00 0.00 C ATOM 200 CD ARG A 29 8.581 3.221 4.900 1.00 0.00 C ATOM 201 NE ARG A 29 8.602 4.256 5.969 1.00 0.00 N ATOM 202 CZ ARG A 29 7.478 4.713 6.442 1.00 0.00 C ATOM 203 NH1 ARG A 29 6.875 5.681 5.809 1.00 0.00 N ATOM 204 NH2 ARG A 29 6.992 4.185 7.532 1.00 0.00 N ATOM 0 H ARG A 29 11.038 1.010 3.306 1.00 0.00 H new ATOM 0 HA ARG A 29 10.055 3.356 2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.958 3.088 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.794 4.377 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.801 1.514 4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.183 2.233 5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.432 3.687 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.749 2.534 5.056 1.00 0.00 H new ATOM 0 HE ARG A 29 9.490 4.605 6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.285 6.067 4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.994 6.052 6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.491 3.428 7.998 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.113 4.530 7.918 1.00 0.00 H new ATOM 218 N GLU A 30 13.298 3.398 2.277 1.00 0.00 N ATOM 219 CA GLU A 30 14.443 4.129 1.715 1.00 0.00 C ATOM 220 C GLU A 30 14.147 4.566 0.290 1.00 0.00 C ATOM 221 O GLU A 30 14.063 5.733 0.012 1.00 0.00 O ATOM 222 CB GLU A 30 15.664 3.196 1.707 1.00 0.00 C ATOM 223 CG GLU A 30 15.879 2.638 3.116 1.00 0.00 C ATOM 224 CD GLU A 30 17.215 1.892 3.166 1.00 0.00 C ATOM 225 OE1 GLU A 30 18.211 2.577 3.337 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.165 0.681 3.029 1.00 0.00 O ATOM 0 H GLU A 30 13.524 2.523 2.751 1.00 0.00 H new ATOM 0 HA GLU A 30 14.637 5.013 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.510 2.381 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.550 3.739 1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.874 3.448 3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.064 1.965 3.382 1.00 0.00 H new ATOM 233 N GLU A 31 13.972 3.615 -0.587 1.00 0.00 N ATOM 234 CA GLU A 31 13.683 3.974 -1.998 1.00 0.00 C ATOM 235 C GLU A 31 12.310 4.618 -2.132 1.00 0.00 C ATOM 236 O GLU A 31 12.192 5.734 -2.589 1.00 0.00 O ATOM 237 CB GLU A 31 13.698 2.689 -2.831 1.00 0.00 C ATOM 238 CG GLU A 31 14.809 2.763 -3.870 1.00 0.00 C ATOM 239 CD GLU A 31 16.169 2.678 -3.170 1.00 0.00 C ATOM 240 OE1 GLU A 31 16.146 2.488 -1.965 1.00 0.00 O ATOM 241 OE2 GLU A 31 17.152 2.803 -3.881 1.00 0.00 O ATOM 0 H GLU A 31 14.017 2.616 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 31 14.435 4.684 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.850 1.826 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.735 2.552 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.706 1.949 -4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.735 3.694 -4.432 1.00 0.00 H new ATOM 248 N VAL A 32 11.295 3.890 -1.751 1.00 0.00 N ATOM 249 CA VAL A 32 9.911 4.446 -1.849 1.00 0.00 C ATOM 250 C VAL A 32 9.901 5.922 -1.458 1.00 0.00 C ATOM 251 O VAL A 32 9.516 6.778 -2.230 1.00 0.00 O ATOM 252 CB VAL A 32 9.001 3.676 -0.860 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.782 4.542 -0.502 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.519 2.369 -1.506 1.00 0.00 C ATOM 0 H VAL A 32 11.361 2.943 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 32 9.557 4.342 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 32 9.568 3.448 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.142 4.000 0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.118 5.469 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.220 4.772 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.879 1.831 -0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.956 2.597 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.379 1.750 -1.760 1.00 0.00 H new ATOM 264 N ASN A 33 10.329 6.176 -0.260 1.00 0.00 N ATOM 265 CA ASN A 33 10.371 7.581 0.245 1.00 0.00 C ATOM 266 C ASN A 33 11.227 8.512 -0.636 1.00 0.00 C ATOM 267 O ASN A 33 10.709 9.410 -1.280 1.00 0.00 O ATOM 268 CB ASN A 33 10.997 7.553 1.651 1.00 0.00 C ATOM 269 CG ASN A 33 10.702 8.874 2.362 1.00 0.00 C ATOM 270 OD1 ASN A 33 11.164 9.924 1.962 1.00 0.00 O ATOM 271 ND2 ASN A 33 9.940 8.866 3.423 1.00 0.00 N ATOM 0 H ASN A 33 10.655 5.470 0.400 1.00 0.00 H new ATOM 0 HA ASN A 33 9.352 7.968 0.241 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.592 6.720 2.225 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.074 7.398 1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.736 9.738 3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.549 7.988 3.764 1.00 0.00 H new ATOM 278 N GLU A 34 12.521 8.281 -0.633 1.00 0.00 N ATOM 279 CA GLU A 34 13.446 9.139 -1.455 1.00 0.00 C ATOM 280 C GLU A 34 12.835 9.587 -2.774 1.00 0.00 C ATOM 281 O GLU A 34 13.213 10.613 -3.301 1.00 0.00 O ATOM 282 CB GLU A 34 14.767 8.360 -1.719 1.00 0.00 C ATOM 283 CG GLU A 34 14.741 7.671 -3.101 1.00 0.00 C ATOM 284 CD GLU A 34 15.113 8.677 -4.206 1.00 0.00 C ATOM 285 OE1 GLU A 34 15.371 9.813 -3.848 1.00 0.00 O ATOM 286 OE2 GLU A 34 15.112 8.247 -5.347 1.00 0.00 O ATOM 0 H GLU A 34 12.977 7.540 -0.101 1.00 0.00 H new ATOM 0 HA GLU A 34 13.641 10.045 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.613 9.045 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.914 7.612 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.440 6.834 -3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.749 7.261 -3.292 1.00 0.00 H new ATOM 293 N LYS A 35 11.923 8.823 -3.296 1.00 0.00 N ATOM 294 CA LYS A 35 11.306 9.231 -4.584 1.00 0.00 C ATOM 295 C LYS A 35 10.049 10.031 -4.337 1.00 0.00 C ATOM 296 O LYS A 35 9.765 10.991 -5.029 1.00 0.00 O ATOM 297 CB LYS A 35 10.946 7.990 -5.382 1.00 0.00 C ATOM 298 CG LYS A 35 11.337 8.212 -6.847 1.00 0.00 C ATOM 299 CD LYS A 35 10.538 9.398 -7.425 1.00 0.00 C ATOM 300 CE LYS A 35 10.560 9.317 -8.957 1.00 0.00 C ATOM 301 NZ LYS A 35 11.946 9.497 -9.466 1.00 0.00 N ATOM 0 H LYS A 35 11.582 7.949 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 35 12.019 9.844 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.466 7.120 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.878 7.788 -5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.406 8.411 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.139 7.311 -7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.511 9.372 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.971 10.341 -7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.169 8.353 -9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.909 10.083 -9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.924 9.609 -10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.367 10.344 -9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.517 8.663 -9.220 1.00 0.00 H new ATOM 315 N LEU A 36 9.323 9.621 -3.357 1.00 0.00 N ATOM 316 CA LEU A 36 8.072 10.329 -3.025 1.00 0.00 C ATOM 317 C LEU A 36 8.346 11.466 -2.053 1.00 0.00 C ATOM 318 O LEU A 36 7.448 11.952 -1.394 1.00 0.00 O ATOM 319 CB LEU A 36 7.121 9.322 -2.369 1.00 0.00 C ATOM 320 CG LEU A 36 6.290 8.654 -3.459 1.00 0.00 C ATOM 321 CD1 LEU A 36 7.223 7.952 -4.444 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.360 7.619 -2.820 1.00 0.00 C ATOM 0 H LEU A 36 9.541 8.820 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 36 7.634 10.748 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.687 8.574 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.471 9.826 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 36 5.699 9.405 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.633 7.473 -5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.895 8.683 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.808 7.198 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.763 7.138 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.954 6.867 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.699 8.114 -2.108 1.00 0.00 H new ATOM 334 N ARG A 37 9.594 11.858 -1.981 1.00 0.00 N ATOM 335 CA ARG A 37 9.979 12.964 -1.064 1.00 0.00 C ATOM 336 C ARG A 37 8.910 14.037 -0.988 1.00 0.00 C ATOM 337 O ARG A 37 8.465 14.399 0.082 1.00 0.00 O ATOM 338 CB ARG A 37 11.269 13.593 -1.580 1.00 0.00 C ATOM 339 CG ARG A 37 11.361 13.387 -3.085 1.00 0.00 C ATOM 340 CD ARG A 37 12.318 14.413 -3.649 1.00 0.00 C ATOM 341 NE ARG A 37 12.444 14.196 -5.119 1.00 0.00 N ATOM 342 CZ ARG A 37 13.101 15.060 -5.845 1.00 0.00 C ATOM 343 NH1 ARG A 37 12.522 16.185 -6.164 1.00 0.00 N ATOM 344 NH2 ARG A 37 14.313 14.766 -6.229 1.00 0.00 N ATOM 0 H ARG A 37 10.361 11.456 -2.520 1.00 0.00 H new ATOM 0 HA ARG A 37 10.109 12.548 -0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.288 14.657 -1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.130 13.142 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.710 12.379 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.378 13.493 -3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.954 15.420 -3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.293 14.324 -3.169 1.00 0.00 H new ATOM 0 HE ARG A 37 12.019 13.377 -5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.572 16.377 -5.847 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.020 16.872 -6.730 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.731 13.875 -5.962 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.843 15.428 -6.797 1.00 0.00 H new ATOM 358 N ASP A 38 8.514 14.520 -2.120 1.00 0.00 N ATOM 359 CA ASP A 38 7.469 15.577 -2.150 1.00 0.00 C ATOM 360 C ASP A 38 7.093 15.900 -3.583 1.00 0.00 C ATOM 361 O ASP A 38 6.859 17.043 -3.923 1.00 0.00 O ATOM 362 CB ASP A 38 8.032 16.854 -1.497 1.00 0.00 C ATOM 363 CG ASP A 38 6.871 17.715 -0.995 1.00 0.00 C ATOM 364 OD1 ASP A 38 6.095 18.125 -1.843 1.00 0.00 O ATOM 365 OD2 ASP A 38 6.826 17.915 0.208 1.00 0.00 O ATOM 0 H ASP A 38 8.867 14.231 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 38 6.589 15.222 -1.613 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.692 16.593 -0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.630 17.412 -2.217 1.00 0.00 H new ATOM 370 N THR A 39 7.042 14.879 -4.398 1.00 0.00 N ATOM 371 CA THR A 39 6.685 15.091 -5.826 1.00 0.00 C ATOM 372 C THR A 39 5.270 14.609 -6.135 1.00 0.00 C ATOM 373 O THR A 39 4.878 13.525 -5.752 1.00 0.00 O ATOM 374 CB THR A 39 7.671 14.291 -6.681 1.00 0.00 C ATOM 375 OG1 THR A 39 7.163 14.356 -7.998 1.00 0.00 O ATOM 376 CG2 THR A 39 7.622 12.799 -6.318 1.00 0.00 C ATOM 0 H THR A 39 7.232 13.912 -4.135 1.00 0.00 H new ATOM 0 HA THR A 39 6.732 16.158 -6.043 1.00 0.00 H new ATOM 0 HB THR A 39 8.679 14.683 -6.547 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.755 13.860 -8.602 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.331 12.250 -6.938 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.884 12.671 -5.268 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.616 12.415 -6.490 1.00 0.00 H new ATOM 384 N ALA A 40 4.529 15.434 -6.828 1.00 0.00 N ATOM 385 CA ALA A 40 3.136 15.061 -7.185 1.00 0.00 C ATOM 386 C ALA A 40 2.261 14.889 -5.950 1.00 0.00 C ATOM 387 O ALA A 40 2.688 14.348 -4.948 1.00 0.00 O ATOM 388 CB ALA A 40 3.173 13.730 -7.952 1.00 0.00 C ATOM 0 H ALA A 40 4.832 16.349 -7.160 1.00 0.00 H new ATOM 0 HA ALA A 40 2.711 15.861 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.158 13.438 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.771 13.847 -8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.616 12.959 -7.322 1.00 0.00 H new ATOM 394 N ASP A 41 1.044 15.358 -6.050 1.00 0.00 N ATOM 395 CA ASP A 41 0.113 15.240 -4.904 1.00 0.00 C ATOM 396 C ASP A 41 -0.742 13.990 -5.046 1.00 0.00 C ATOM 397 O ASP A 41 -1.954 14.048 -4.964 1.00 0.00 O ATOM 398 CB ASP A 41 -0.807 16.471 -4.902 1.00 0.00 C ATOM 399 CG ASP A 41 -1.372 16.682 -3.498 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.970 15.739 -3.006 1.00 0.00 O ATOM 401 OD2 ASP A 41 -1.176 17.776 -2.995 1.00 0.00 O ATOM 0 H ASP A 41 0.661 15.816 -6.877 1.00 0.00 H new ATOM 0 HA ASP A 41 0.683 15.177 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.252 17.354 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.619 16.332 -5.616 1.00 0.00 H new ATOM 406 N GLY A 42 -0.096 12.880 -5.259 1.00 0.00 N ATOM 407 CA GLY A 42 -0.851 11.608 -5.414 1.00 0.00 C ATOM 408 C GLY A 42 -0.011 10.594 -6.187 1.00 0.00 C ATOM 409 O GLY A 42 -0.306 10.274 -7.322 1.00 0.00 O ATOM 0 H GLY A 42 0.918 12.798 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.109 11.207 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.788 11.793 -5.940 1.00 0.00 H new ATOM 413 N THR A 43 1.017 10.107 -5.548 1.00 0.00 N ATOM 414 CA THR A 43 1.899 9.113 -6.215 1.00 0.00 C ATOM 415 C THR A 43 1.596 7.719 -5.688 1.00 0.00 C ATOM 416 O THR A 43 0.898 7.582 -4.713 1.00 0.00 O ATOM 417 CB THR A 43 3.339 9.466 -5.854 1.00 0.00 C ATOM 418 OG1 THR A 43 3.396 10.878 -5.890 1.00 0.00 O ATOM 419 CG2 THR A 43 4.312 9.014 -6.944 1.00 0.00 C ATOM 0 H THR A 43 1.283 10.355 -4.595 1.00 0.00 H new ATOM 0 HA THR A 43 1.741 9.131 -7.293 1.00 0.00 H new ATOM 0 HB THR A 43 3.600 9.005 -4.902 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.248 11.181 -5.512 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.329 9.280 -6.657 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.241 7.934 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.060 9.506 -7.884 1.00 0.00 H new ATOM 427 N PHE A 44 2.116 6.697 -6.328 1.00 0.00 N ATOM 428 CA PHE A 44 1.817 5.336 -5.810 1.00 0.00 C ATOM 429 C PHE A 44 2.703 4.256 -6.391 1.00 0.00 C ATOM 430 O PHE A 44 2.908 4.168 -7.585 1.00 0.00 O ATOM 431 CB PHE A 44 0.353 5.003 -6.114 1.00 0.00 C ATOM 432 CG PHE A 44 0.144 4.843 -7.619 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.113 5.950 -8.446 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.081 3.587 -8.169 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.146 5.805 -9.793 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.338 3.451 -9.513 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.370 4.555 -10.323 1.00 0.00 C ATOM 0 H PHE A 44 2.711 6.746 -7.155 1.00 0.00 H new ATOM 0 HA PHE A 44 2.012 5.354 -4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.069 4.084 -5.601 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.293 5.794 -5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.292 6.933 -8.036 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.054 2.712 -7.537 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.173 6.674 -10.433 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.515 2.471 -9.931 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.571 4.444 -11.378 1.00 0.00 H new ATOM 447 N LEU A 45 3.213 3.449 -5.499 1.00 0.00 N ATOM 448 CA LEU A 45 4.091 2.345 -5.896 1.00 0.00 C ATOM 449 C LEU A 45 3.954 1.223 -4.862 1.00 0.00 C ATOM 450 O LEU A 45 2.981 1.195 -4.128 1.00 0.00 O ATOM 451 CB LEU A 45 5.551 2.854 -5.959 1.00 0.00 C ATOM 452 CG LEU A 45 5.825 3.869 -4.839 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.418 3.305 -3.478 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.310 4.138 -4.802 1.00 0.00 C ATOM 0 H LEU A 45 3.046 3.522 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 45 3.814 1.965 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.238 2.013 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.738 3.316 -6.928 1.00 0.00 H new ATOM 0 HG LEU A 45 5.252 4.775 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.622 4.043 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.353 3.071 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.988 2.398 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.530 4.857 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.843 3.208 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.630 4.543 -5.762 1.00 0.00 H new ATOM 466 N VAL A 46 4.916 0.329 -4.806 1.00 0.00 N ATOM 467 CA VAL A 46 4.823 -0.786 -3.810 1.00 0.00 C ATOM 468 C VAL A 46 5.951 -0.706 -2.793 1.00 0.00 C ATOM 469 O VAL A 46 6.930 -0.028 -2.999 1.00 0.00 O ATOM 470 CB VAL A 46 4.884 -2.144 -4.579 1.00 0.00 C ATOM 471 CG1 VAL A 46 6.131 -2.967 -4.192 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.642 -2.956 -4.223 1.00 0.00 C ATOM 0 H VAL A 46 5.748 0.323 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 46 3.883 -0.705 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 46 4.933 -1.930 -5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.136 -3.904 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.030 -2.399 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.109 -3.180 -3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.667 -3.909 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.621 -3.137 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.749 -2.403 -4.515 1.00 0.00 H new ATOM 482 N ARG A 47 5.769 -1.394 -1.704 1.00 0.00 N ATOM 483 CA ARG A 47 6.789 -1.399 -0.640 1.00 0.00 C ATOM 484 C ARG A 47 6.997 -2.832 -0.158 1.00 0.00 C ATOM 485 O ARG A 47 6.081 -3.468 0.318 1.00 0.00 O ATOM 486 CB ARG A 47 6.264 -0.513 0.510 1.00 0.00 C ATOM 487 CG ARG A 47 6.953 -0.866 1.841 1.00 0.00 C ATOM 488 CD ARG A 47 8.467 -0.833 1.664 1.00 0.00 C ATOM 489 NE ARG A 47 9.098 -0.408 2.949 1.00 0.00 N ATOM 490 CZ ARG A 47 9.014 -1.184 3.999 1.00 0.00 C ATOM 491 NH1 ARG A 47 7.842 -1.617 4.372 1.00 0.00 N ATOM 492 NH2 ARG A 47 10.107 -1.501 4.641 1.00 0.00 N ATOM 0 H ARG A 47 4.943 -1.959 -1.509 1.00 0.00 H new ATOM 0 HA ARG A 47 7.743 -1.014 -1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.439 0.537 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.186 -0.642 0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.653 -0.160 2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.638 -1.855 2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.833 -1.817 1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.738 -0.142 0.865 1.00 0.00 H new ATOM 0 HE ARG A 47 9.592 0.483 3.008 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.009 -1.350 3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.758 -2.223 5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.008 -1.144 4.322 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.060 -2.105 5.462 1.00 0.00 H new ATOM 506 N ASP A 48 8.188 -3.317 -0.304 1.00 0.00 N ATOM 507 CA ASP A 48 8.470 -4.700 0.138 1.00 0.00 C ATOM 508 C ASP A 48 7.889 -5.002 1.511 1.00 0.00 C ATOM 509 O ASP A 48 8.071 -4.249 2.447 1.00 0.00 O ATOM 510 CB ASP A 48 9.985 -4.880 0.212 1.00 0.00 C ATOM 511 CG ASP A 48 10.317 -6.371 0.277 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.502 -7.085 0.836 1.00 0.00 O ATOM 513 OD2 ASP A 48 11.369 -6.711 -0.240 1.00 0.00 O ATOM 0 H ASP A 48 8.979 -2.817 -0.710 1.00 0.00 H new ATOM 0 HA ASP A 48 8.009 -5.380 -0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.459 -4.428 -0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.380 -4.370 1.090 1.00 0.00 H new ATOM 518 N ALA A 49 7.195 -6.108 1.602 1.00 0.00 N ATOM 519 CA ALA A 49 6.592 -6.491 2.899 1.00 0.00 C ATOM 520 C ALA A 49 7.496 -7.483 3.615 1.00 0.00 C ATOM 521 O ALA A 49 8.418 -8.014 3.030 1.00 0.00 O ATOM 522 CB ALA A 49 5.243 -7.174 2.632 1.00 0.00 C ATOM 0 H ALA A 49 7.024 -6.756 0.833 1.00 0.00 H new ATOM 0 HA ALA A 49 6.461 -5.601 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.787 -7.462 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.583 -6.483 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.400 -8.062 2.020 1.00 0.00 H new ATOM 616 N ASP A 56 2.585 -10.470 0.284 1.00 0.00 N ATOM 617 CA ASP A 56 3.218 -9.962 -0.953 1.00 0.00 C ATOM 618 C ASP A 56 4.014 -8.704 -0.662 1.00 0.00 C ATOM 619 O ASP A 56 5.178 -8.770 -0.323 1.00 0.00 O ATOM 620 CB ASP A 56 2.120 -9.627 -1.960 1.00 0.00 C ATOM 621 CG ASP A 56 2.727 -8.874 -3.145 1.00 0.00 C ATOM 622 OD1 ASP A 56 3.584 -9.466 -3.781 1.00 0.00 O ATOM 623 OD2 ASP A 56 2.301 -7.749 -3.347 1.00 0.00 O ATOM 0 HA ASP A 56 3.889 -10.723 -1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.637 -10.541 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.350 -9.019 -1.485 1.00 0.00 H new ATOM 628 N TYR A 57 3.370 -7.573 -0.807 1.00 0.00 N ATOM 629 CA TYR A 57 4.062 -6.294 -0.544 1.00 0.00 C ATOM 630 C TYR A 57 3.156 -5.322 0.200 1.00 0.00 C ATOM 631 O TYR A 57 2.336 -5.720 1.003 1.00 0.00 O ATOM 632 CB TYR A 57 4.466 -5.687 -1.890 1.00 0.00 C ATOM 633 CG TYR A 57 5.275 -6.722 -2.697 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.385 -7.349 -2.149 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.901 -7.045 -3.982 1.00 0.00 C ATOM 636 CE1 TYR A 57 7.094 -8.272 -2.872 1.00 0.00 C ATOM 637 CE2 TYR A 57 5.617 -7.972 -4.706 1.00 0.00 C ATOM 638 CZ TYR A 57 6.719 -8.593 -4.157 1.00 0.00 C ATOM 639 OH TYR A 57 7.441 -9.515 -4.887 1.00 0.00 O ATOM 0 H TYR A 57 2.395 -7.489 -1.096 1.00 0.00 H new ATOM 0 HA TYR A 57 4.937 -6.479 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.578 -5.388 -2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.061 -4.787 -1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.693 -7.107 -1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.040 -6.568 -4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.955 -8.752 -2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.313 -8.215 -5.713 1.00 0.00 H new ATOM 0 HH TYR A 57 8.387 -9.258 -4.894 1.00 0.00 H new ATOM 649 N THR A 58 3.325 -4.067 -0.079 1.00 0.00 N ATOM 650 CA THR A 58 2.497 -3.048 0.593 1.00 0.00 C ATOM 651 C THR A 58 2.208 -1.873 -0.340 1.00 0.00 C ATOM 652 O THR A 58 3.112 -1.291 -0.907 1.00 0.00 O ATOM 653 CB THR A 58 3.295 -2.553 1.794 1.00 0.00 C ATOM 654 OG1 THR A 58 2.951 -3.423 2.851 1.00 0.00 O ATOM 655 CG2 THR A 58 2.818 -1.177 2.268 1.00 0.00 C ATOM 0 H THR A 58 4.005 -3.704 -0.747 1.00 0.00 H new ATOM 0 HA THR A 58 1.541 -3.478 0.890 1.00 0.00 H new ATOM 0 HB THR A 58 4.351 -2.511 1.529 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.618 -4.268 2.484 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.413 -0.861 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.933 -0.454 1.460 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.768 -1.235 2.556 1.00 0.00 H new ATOM 663 N LEU A 59 0.951 -1.548 -0.483 1.00 0.00 N ATOM 664 CA LEU A 59 0.588 -0.414 -1.373 1.00 0.00 C ATOM 665 C LEU A 59 0.755 0.906 -0.635 1.00 0.00 C ATOM 666 O LEU A 59 0.109 1.142 0.364 1.00 0.00 O ATOM 667 CB LEU A 59 -0.890 -0.583 -1.796 1.00 0.00 C ATOM 668 CG LEU A 59 -1.087 -0.047 -3.228 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.684 -1.129 -4.242 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.569 0.303 -3.448 1.00 0.00 C ATOM 0 H LEU A 59 0.168 -2.015 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 59 1.238 -0.409 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.173 -1.634 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.540 -0.047 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.470 0.841 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.824 -0.749 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.363 -1.394 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.305 -2.013 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.707 0.682 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.178 -0.590 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.873 1.065 -2.731 1.00 0.00 H new ATOM 682 N THR A 60 1.633 1.745 -1.144 1.00 0.00 N ATOM 683 CA THR A 60 1.866 3.060 -0.487 1.00 0.00 C ATOM 684 C THR A 60 1.689 4.193 -1.481 1.00 0.00 C ATOM 685 O THR A 60 2.153 4.111 -2.603 1.00 0.00 O ATOM 686 CB THR A 60 3.301 3.072 0.055 1.00 0.00 C ATOM 687 OG1 THR A 60 3.169 2.869 1.448 1.00 0.00 O ATOM 688 CG2 THR A 60 3.949 4.466 -0.066 1.00 0.00 C ATOM 0 H THR A 60 2.191 1.571 -1.980 1.00 0.00 H new ATOM 0 HA THR A 60 1.147 3.200 0.320 1.00 0.00 H new ATOM 0 HB THR A 60 3.896 2.336 -0.486 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.619 3.583 1.832 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.964 4.431 0.329 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.978 4.764 -1.114 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.364 5.190 0.501 1.00 0.00 H new ATOM 696 N LEU A 61 1.020 5.239 -1.047 1.00 0.00 N ATOM 697 CA LEU A 61 0.798 6.399 -1.951 1.00 0.00 C ATOM 698 C LEU A 61 1.211 7.686 -1.295 1.00 0.00 C ATOM 699 O LEU A 61 1.196 7.809 -0.086 1.00 0.00 O ATOM 700 CB LEU A 61 -0.694 6.506 -2.305 1.00 0.00 C ATOM 701 CG LEU A 61 -1.317 5.111 -2.438 1.00 0.00 C ATOM 702 CD1 LEU A 61 -1.912 4.673 -1.100 1.00 0.00 C ATOM 703 CD2 LEU A 61 -2.444 5.154 -3.479 1.00 0.00 C ATOM 0 H LEU A 61 0.624 5.332 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 61 1.399 6.238 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.217 7.072 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.813 7.054 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.542 4.408 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.352 3.681 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.127 4.644 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.682 5.381 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.888 4.163 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.207 5.864 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.038 5.465 -4.442 1.00 0.00 H new ATOM 715 N ARG A 62 1.574 8.631 -2.107 1.00 0.00 N ATOM 716 CA ARG A 62 1.995 9.921 -1.565 1.00 0.00 C ATOM 717 C ARG A 62 0.803 10.847 -1.463 1.00 0.00 C ATOM 718 O ARG A 62 0.251 11.274 -2.468 1.00 0.00 O ATOM 719 CB ARG A 62 3.042 10.524 -2.513 1.00 0.00 C ATOM 720 CG ARG A 62 3.567 11.838 -1.937 1.00 0.00 C ATOM 721 CD ARG A 62 4.195 11.576 -0.564 1.00 0.00 C ATOM 722 NE ARG A 62 5.305 12.537 -0.342 1.00 0.00 N ATOM 723 CZ ARG A 62 5.952 12.508 0.790 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.022 11.382 1.446 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.499 13.606 1.231 1.00 0.00 N ATOM 0 H ARG A 62 1.594 8.555 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 62 2.421 9.789 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.865 9.823 -2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.600 10.697 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.306 12.274 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.754 12.559 -1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.444 11.683 0.219 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.568 10.553 -0.511 1.00 0.00 H new ATOM 0 HE ARG A 62 5.558 13.211 -1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.575 10.545 1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.523 11.339 2.333 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.417 14.469 0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.009 13.603 2.114 1.00 0.00 H new ATOM 739 N LYS A 63 0.430 11.134 -0.242 1.00 0.00 N ATOM 740 CA LYS A 63 -0.727 12.029 0.007 1.00 0.00 C ATOM 741 C LYS A 63 -0.273 13.476 0.247 1.00 0.00 C ATOM 742 O LYS A 63 0.015 13.874 1.358 1.00 0.00 O ATOM 743 CB LYS A 63 -1.441 11.495 1.271 1.00 0.00 C ATOM 744 CG LYS A 63 -2.940 11.323 1.018 1.00 0.00 C ATOM 745 CD LYS A 63 -3.522 10.468 2.161 1.00 0.00 C ATOM 746 CE LYS A 63 -4.910 10.991 2.581 1.00 0.00 C ATOM 747 NZ LYS A 63 -4.783 11.946 3.721 1.00 0.00 N ATOM 0 H LYS A 63 0.886 10.780 0.599 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.388 12.035 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.005 10.540 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.285 12.184 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.434 12.294 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.111 10.840 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.601 9.429 1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.847 10.487 3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.390 11.485 1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.549 10.156 2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.726 12.290 3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.344 11.463 4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.190 12.751 3.435 1.00 0.00 H new ATOM 761 N GLY A 64 -0.213 14.233 -0.803 1.00 0.00 N ATOM 762 CA GLY A 64 0.218 15.656 -0.656 1.00 0.00 C ATOM 763 C GLY A 64 1.540 15.766 0.125 1.00 0.00 C ATOM 764 O GLY A 64 1.993 16.855 0.413 1.00 0.00 O ATOM 0 H GLY A 64 -0.440 13.939 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.338 16.105 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.559 16.221 -0.141 1.00 0.00 H new ATOM 768 N GLY A 65 2.131 14.641 0.447 1.00 0.00 N ATOM 769 CA GLY A 65 3.421 14.678 1.207 1.00 0.00 C ATOM 770 C GLY A 65 3.433 13.624 2.315 1.00 0.00 C ATOM 771 O GLY A 65 4.477 13.254 2.813 1.00 0.00 O ATOM 0 H GLY A 65 1.782 13.710 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.254 14.505 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.564 15.668 1.640 1.00 0.00 H new ATOM 775 N ASN A 66 2.275 13.167 2.679 1.00 0.00 N ATOM 776 CA ASN A 66 2.193 12.142 3.746 1.00 0.00 C ATOM 777 C ASN A 66 2.149 10.739 3.156 1.00 0.00 C ATOM 778 O ASN A 66 1.105 10.255 2.765 1.00 0.00 O ATOM 779 CB ASN A 66 0.908 12.386 4.554 1.00 0.00 C ATOM 780 CG ASN A 66 1.078 11.808 5.961 1.00 0.00 C ATOM 781 OD1 ASN A 66 1.912 10.822 6.145 1.00 0.00 O flip ATOM 782 ND2 ASN A 66 0.454 12.251 6.906 1.00 0.00 N flip ATOM 0 H ASN A 66 1.381 13.459 2.284 1.00 0.00 H new ATOM 0 HA ASN A 66 3.076 12.219 4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.697 13.454 4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.058 11.919 4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.200 13.022 6.769 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.584 11.852 7.836 1.00 0.00 H new ATOM 789 N ASN A 67 3.286 10.112 3.097 1.00 0.00 N ATOM 790 CA ASN A 67 3.336 8.740 2.539 1.00 0.00 C ATOM 791 C ASN A 67 2.378 7.832 3.300 1.00 0.00 C ATOM 792 O ASN A 67 2.623 7.489 4.439 1.00 0.00 O ATOM 793 CB ASN A 67 4.770 8.209 2.702 1.00 0.00 C ATOM 794 CG ASN A 67 4.915 6.893 1.943 1.00 0.00 C ATOM 795 OD1 ASN A 67 4.441 5.862 2.374 1.00 0.00 O ATOM 796 ND2 ASN A 67 5.567 6.885 0.811 1.00 0.00 N ATOM 0 H ASN A 67 4.180 10.490 3.410 1.00 0.00 H new ATOM 0 HA ASN A 67 3.047 8.757 1.488 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.485 8.940 2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.996 8.059 3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.677 6.014 0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.966 7.750 0.446 1.00 0.00 H new ATOM 803 N LYS A 68 1.301 7.455 2.661 1.00 0.00 N ATOM 804 CA LYS A 68 0.333 6.578 3.338 1.00 0.00 C ATOM 805 C LYS A 68 0.688 5.115 3.115 1.00 0.00 C ATOM 806 O LYS A 68 1.257 4.768 2.096 1.00 0.00 O ATOM 807 CB LYS A 68 -1.048 6.855 2.731 1.00 0.00 C ATOM 808 CG LYS A 68 -2.128 6.733 3.806 1.00 0.00 C ATOM 809 CD LYS A 68 -3.371 6.151 3.164 1.00 0.00 C ATOM 810 CE LYS A 68 -4.518 6.178 4.178 1.00 0.00 C ATOM 811 NZ LYS A 68 -4.904 7.583 4.494 1.00 0.00 N ATOM 0 H LYS A 68 1.061 7.721 1.706 1.00 0.00 H new ATOM 0 HA LYS A 68 0.343 6.775 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.069 7.854 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.247 6.151 1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.785 6.093 4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.345 7.709 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.640 6.725 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.182 5.128 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.377 5.640 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.216 5.664 5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.876 7.601 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.255 7.969 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.851 8.160 3.631 1.00 0.00 H new ATOM 825 N LEU A 69 0.337 4.281 4.072 1.00 0.00 N ATOM 826 CA LEU A 69 0.647 2.830 3.938 1.00 0.00 C ATOM 827 C LEU A 69 -0.608 1.967 3.957 1.00 0.00 C ATOM 828 O LEU A 69 -1.464 2.116 4.807 1.00 0.00 O ATOM 829 CB LEU A 69 1.523 2.421 5.130 1.00 0.00 C ATOM 830 CG LEU A 69 1.920 0.946 4.981 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.405 0.796 5.319 1.00 0.00 C ATOM 832 CD2 LEU A 69 1.097 0.090 5.950 1.00 0.00 C ATOM 0 H LEU A 69 -0.146 4.546 4.930 1.00 0.00 H new ATOM 0 HA LEU A 69 1.148 2.677 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.414 3.047 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.981 2.572 6.064 1.00 0.00 H new ATOM 0 HG LEU A 69 1.732 0.618 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.698 -0.249 5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.997 1.407 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.580 1.123 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.381 -0.957 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.287 0.414 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.037 0.203 5.725 1.00 0.00 H new ATOM 844 N ILE A 70 -0.679 1.074 3.010 1.00 0.00 N ATOM 845 CA ILE A 70 -1.848 0.166 2.920 1.00 0.00 C ATOM 846 C ILE A 70 -1.351 -1.236 2.632 1.00 0.00 C ATOM 847 O ILE A 70 -0.520 -1.435 1.768 1.00 0.00 O ATOM 848 CB ILE A 70 -2.752 0.633 1.780 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.537 1.856 2.227 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.746 -0.497 1.425 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.473 2.903 1.126 1.00 0.00 C ATOM 0 H ILE A 70 0.030 0.936 2.290 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.408 0.174 3.855 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.143 0.882 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.573 1.586 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.122 2.255 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.394 -0.170 0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.193 -1.383 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.353 -0.736 2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.032 3.787 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.434 3.176 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.907 2.497 0.212 1.00 0.00 H new ATOM 863 N LYS A 71 -1.856 -2.184 3.351 1.00 0.00 N ATOM 864 CA LYS A 71 -1.408 -3.571 3.122 1.00 0.00 C ATOM 865 C LYS A 71 -2.173 -4.249 2.001 1.00 0.00 C ATOM 866 O LYS A 71 -3.333 -3.977 1.767 1.00 0.00 O ATOM 867 CB LYS A 71 -1.640 -4.367 4.409 1.00 0.00 C ATOM 868 CG LYS A 71 -0.563 -3.996 5.426 1.00 0.00 C ATOM 869 CD LYS A 71 -0.780 -4.812 6.699 1.00 0.00 C ATOM 870 CE LYS A 71 0.286 -4.435 7.724 1.00 0.00 C ATOM 871 NZ LYS A 71 -0.349 -3.914 8.966 1.00 0.00 N ATOM 0 H LYS A 71 -2.555 -2.060 4.083 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.355 -3.542 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.629 -4.150 4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.608 -5.436 4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.427 -4.195 5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.607 -2.930 5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.774 -4.620 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.726 -5.878 6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.898 -5.306 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.952 -3.681 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.389 -3.662 9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.914 -3.071 8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.966 -4.645 9.373 1.00 0.00 H new ATOM 885 N ILE A 72 -1.490 -5.118 1.324 1.00 0.00 N ATOM 886 CA ILE A 72 -2.112 -5.853 0.210 1.00 0.00 C ATOM 887 C ILE A 72 -2.550 -7.222 0.743 1.00 0.00 C ATOM 888 O ILE A 72 -1.742 -7.942 1.297 1.00 0.00 O ATOM 889 CB ILE A 72 -1.026 -6.024 -0.872 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.952 -4.770 -1.768 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.332 -7.260 -1.733 1.00 0.00 C ATOM 892 CD1 ILE A 72 -2.085 -4.759 -2.816 1.00 0.00 C ATOM 0 H ILE A 72 -0.513 -5.351 1.501 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.976 -5.334 -0.204 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.064 -6.158 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.018 -3.875 -1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.013 -4.738 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.560 -7.373 -2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.351 -8.148 -1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.302 -7.137 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.004 -3.862 -3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.003 -5.642 -3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.050 -4.765 -2.309 1.00 0.00 H new ATOM 904 N PHE A 73 -3.808 -7.574 0.574 1.00 0.00 N ATOM 905 CA PHE A 73 -4.243 -8.899 1.096 1.00 0.00 C ATOM 906 C PHE A 73 -4.049 -10.003 0.066 1.00 0.00 C ATOM 907 O PHE A 73 -4.793 -10.116 -0.884 1.00 0.00 O ATOM 908 CB PHE A 73 -5.734 -8.828 1.493 1.00 0.00 C ATOM 909 CG PHE A 73 -6.192 -7.361 1.590 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.456 -6.435 2.315 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.343 -6.942 0.942 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.866 -5.115 2.384 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.746 -5.622 1.013 1.00 0.00 C ATOM 914 CZ PHE A 73 -7.008 -4.711 1.731 1.00 0.00 C ATOM 0 H PHE A 73 -4.526 -7.016 0.112 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.628 -9.136 1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.339 -9.357 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.887 -9.328 2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.558 -6.746 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.929 -7.652 0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.288 -4.400 2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.644 -5.305 0.503 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.324 -3.680 1.782 1.00 0.00 H new ATOM 924 N HIS A 74 -3.026 -10.793 0.289 1.00 0.00 N ATOM 925 CA HIS A 74 -2.715 -11.917 -0.633 1.00 0.00 C ATOM 926 C HIS A 74 -2.888 -13.247 0.107 1.00 0.00 C ATOM 927 O HIS A 74 -3.020 -13.258 1.316 1.00 0.00 O ATOM 928 CB HIS A 74 -1.246 -11.768 -1.063 1.00 0.00 C ATOM 929 CG HIS A 74 -0.610 -13.150 -1.211 1.00 0.00 C ATOM 930 ND1 HIS A 74 0.108 -13.702 -0.354 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.691 -14.046 -2.255 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.491 -14.847 -0.735 1.00 0.00 C ATOM 933 NE2 HIS A 74 0.030 -15.159 -1.945 1.00 0.00 N ATOM 0 H HIS A 74 -2.390 -10.701 1.081 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.379 -11.901 -1.497 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.187 -11.227 -2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.698 -11.182 -0.325 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.356 -13.283 0.542 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.239 -13.890 -3.173 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.120 -15.497 -0.146 1.00 0.00 H new ATOM 941 N ARG A 75 -2.889 -14.345 -0.617 1.00 0.00 N ATOM 942 CA ARG A 75 -3.055 -15.655 0.073 1.00 0.00 C ATOM 943 C ARG A 75 -2.254 -16.777 -0.608 1.00 0.00 C ATOM 944 O ARG A 75 -1.120 -17.025 -0.251 1.00 0.00 O ATOM 945 CB ARG A 75 -4.552 -16.012 0.072 1.00 0.00 C ATOM 946 CG ARG A 75 -4.784 -17.253 0.941 1.00 0.00 C ATOM 947 CD ARG A 75 -6.167 -17.157 1.587 1.00 0.00 C ATOM 948 NE ARG A 75 -7.112 -16.535 0.620 1.00 0.00 N ATOM 949 CZ ARG A 75 -8.324 -17.013 0.509 1.00 0.00 C ATOM 950 NH1 ARG A 75 -8.944 -17.411 1.587 1.00 0.00 N ATOM 951 NH2 ARG A 75 -8.872 -17.077 -0.672 1.00 0.00 N ATOM 0 H ARG A 75 -2.784 -14.386 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.673 -15.563 1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.136 -15.174 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.891 -16.200 -0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.714 -18.156 0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.014 -17.324 1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.519 -18.148 1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.116 -16.562 2.499 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.817 -15.743 0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.482 -17.346 2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.890 -17.787 1.522 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.356 -16.757 -1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.817 -17.447 -0.776 1.00 0.00 H new ATOM 965 N ASP A 76 -2.843 -17.429 -1.580 1.00 0.00 N ATOM 966 CA ASP A 76 -2.104 -18.527 -2.265 1.00 0.00 C ATOM 967 C ASP A 76 -1.282 -18.000 -3.437 1.00 0.00 C ATOM 968 O ASP A 76 -0.549 -18.743 -4.062 1.00 0.00 O ATOM 969 CB ASP A 76 -3.123 -19.541 -2.797 1.00 0.00 C ATOM 970 CG ASP A 76 -2.992 -20.850 -2.013 1.00 0.00 C ATOM 971 OD1 ASP A 76 -1.952 -21.471 -2.166 1.00 0.00 O ATOM 972 OD2 ASP A 76 -3.937 -21.156 -1.304 1.00 0.00 O ATOM 0 H ASP A 76 -3.787 -17.251 -1.922 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.424 -18.987 -1.548 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.133 -19.144 -2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.954 -19.721 -3.859 1.00 0.00 H new ATOM 977 N GLY A 77 -1.412 -16.734 -3.713 1.00 0.00 N ATOM 978 CA GLY A 77 -0.637 -16.147 -4.846 1.00 0.00 C ATOM 979 C GLY A 77 -1.464 -15.088 -5.563 1.00 0.00 C ATOM 980 O GLY A 77 -0.955 -14.338 -6.374 1.00 0.00 O ATOM 0 H GLY A 77 -2.015 -16.083 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.287 -15.705 -4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.354 -16.932 -5.547 1.00 0.00 H new ATOM 984 N LYS A 78 -2.725 -15.049 -5.252 1.00 0.00 N ATOM 985 CA LYS A 78 -3.606 -14.053 -5.896 1.00 0.00 C ATOM 986 C LYS A 78 -3.543 -12.733 -5.123 1.00 0.00 C ATOM 987 O LYS A 78 -2.566 -12.469 -4.455 1.00 0.00 O ATOM 988 CB LYS A 78 -5.051 -14.623 -5.896 1.00 0.00 C ATOM 989 CG LYS A 78 -5.125 -15.826 -4.953 1.00 0.00 C ATOM 990 CD LYS A 78 -6.579 -16.290 -4.856 1.00 0.00 C ATOM 991 CE LYS A 78 -6.641 -17.796 -5.112 1.00 0.00 C ATOM 992 NZ LYS A 78 -6.202 -18.106 -6.502 1.00 0.00 N ATOM 0 H LYS A 78 -3.181 -15.665 -4.579 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.287 -13.858 -6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.756 -13.855 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.336 -14.920 -6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.495 -16.635 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.749 -15.555 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.983 -16.059 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.193 -15.759 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.005 -18.319 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.658 -18.156 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.717 -18.939 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.401 -17.293 -7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.181 -18.303 -6.508 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.564 -11.924 -5.233 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.544 -10.635 -4.503 1.00 0.00 C ATOM 1008 C TYR A 79 -5.893 -10.318 -3.921 1.00 0.00 C ATOM 1009 O TYR A 79 -6.899 -10.856 -4.337 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.172 -9.532 -5.484 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.674 -9.543 -5.701 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -2.115 -10.438 -6.576 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.866 -8.653 -5.039 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.758 -10.449 -6.794 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.506 -8.656 -5.251 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.062 -9.557 -6.134 1.00 0.00 C ATOM 1017 OH TYR A 79 1.424 -9.562 -6.353 1.00 0.00 O ATOM 0 H TYR A 79 -5.399 -12.102 -5.791 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.821 -10.706 -3.690 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.690 -9.682 -6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.488 -8.563 -5.097 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.747 -11.141 -7.099 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.300 -7.946 -4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.331 -11.160 -7.486 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.121 -7.951 -4.725 1.00 0.00 H new ATOM 0 HH TYR A 79 1.846 -8.867 -5.806 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.887 -9.443 -2.970 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.151 -9.050 -2.321 1.00 0.00 C ATOM 1029 C GLY A 80 -7.172 -7.551 -2.160 1.00 0.00 C ATOM 1030 O GLY A 80 -6.372 -6.992 -1.436 1.00 0.00 O ATOM 0 H GLY A 80 -5.052 -8.979 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.000 -9.377 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.242 -9.535 -1.349 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.071 -6.928 -2.852 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.169 -5.467 -2.761 1.00 0.00 C ATOM 1036 C PHE A 81 -9.600 -5.024 -2.980 1.00 0.00 C ATOM 1037 O PHE A 81 -10.030 -4.008 -2.473 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.289 -4.865 -3.859 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.446 -3.752 -3.253 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.487 -4.037 -2.296 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.676 -2.437 -3.599 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.783 -3.024 -1.693 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.970 -1.424 -2.997 1.00 0.00 C ATOM 1044 CZ PHE A 81 -5.022 -1.719 -2.041 1.00 0.00 C ATOM 0 H PHE A 81 -8.742 -7.374 -3.477 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.845 -5.136 -1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.647 -5.632 -4.292 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.907 -4.474 -4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.291 -5.063 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.417 -2.202 -4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.040 -3.255 -0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.158 -0.397 -3.273 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.468 -0.923 -1.566 1.00 0.00 H new ATOM 1054 N SER A 82 -10.309 -5.801 -3.736 1.00 0.00 N ATOM 1055 CA SER A 82 -11.725 -5.461 -4.017 1.00 0.00 C ATOM 1056 C SER A 82 -12.544 -6.711 -4.284 1.00 0.00 C ATOM 1057 O SER A 82 -13.758 -6.671 -4.263 1.00 0.00 O ATOM 1058 CB SER A 82 -11.773 -4.568 -5.264 1.00 0.00 C ATOM 1059 OG SER A 82 -11.438 -5.444 -6.332 1.00 0.00 O ATOM 0 H SER A 82 -9.971 -6.658 -4.173 1.00 0.00 H new ATOM 0 HA SER A 82 -12.142 -4.950 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.762 -4.130 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.066 -3.742 -5.190 1.00 0.00 H new ATOM 0 HG SER A 82 -11.883 -5.145 -7.152 1.00 0.00 H new ATOM 1065 N ASP A 83 -11.861 -7.801 -4.535 1.00 0.00 N ATOM 1066 CA ASP A 83 -12.574 -9.078 -4.812 1.00 0.00 C ATOM 1067 C ASP A 83 -12.335 -10.092 -3.676 1.00 0.00 C ATOM 1068 O ASP A 83 -11.454 -9.905 -2.860 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.003 -9.668 -6.118 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.072 -9.619 -7.212 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -13.568 -8.530 -7.438 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -13.332 -10.679 -7.761 1.00 0.00 O ATOM 0 H ASP A 83 -10.843 -7.858 -4.559 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.643 -8.884 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.123 -9.105 -6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.682 -10.697 -5.955 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.148 -11.152 -3.633 1.00 0.00 N ATOM 1078 CA PRO A 84 -13.007 -12.182 -2.597 1.00 0.00 C ATOM 1079 C PRO A 84 -11.728 -13.007 -2.826 1.00 0.00 C ATOM 1080 O PRO A 84 -11.687 -14.193 -2.559 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.254 -13.090 -2.780 1.00 0.00 C ATOM 1082 CG PRO A 84 -14.925 -12.680 -4.123 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.267 -11.367 -4.577 1.00 0.00 C ATOM 0 HA PRO A 84 -12.937 -11.752 -1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.966 -14.141 -2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.948 -12.964 -1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.790 -13.458 -4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.999 -12.547 -3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -13.908 -11.440 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.975 -10.539 -4.545 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.699 -12.354 -3.311 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.424 -13.072 -3.566 1.00 0.00 C ATOM 1093 C LEU A 85 -9.671 -14.255 -4.503 1.00 0.00 C ATOM 1094 O LEU A 85 -9.397 -15.393 -4.176 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.836 -13.568 -2.216 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.886 -12.496 -1.663 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.887 -12.549 -0.141 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.470 -12.773 -2.166 1.00 0.00 C ATOM 0 H LEU A 85 -10.693 -11.360 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.713 -12.396 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.638 -13.764 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.302 -14.507 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.217 -11.512 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.212 -11.788 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.896 -12.365 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.554 -13.533 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.791 -12.015 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.149 -13.757 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.459 -12.745 -3.256 1.00 0.00 H new ATOM 1110 N THR A 86 -10.200 -13.939 -5.662 1.00 0.00 N ATOM 1111 CA THR A 86 -10.492 -14.994 -6.667 1.00 0.00 C ATOM 1112 C THR A 86 -9.765 -14.696 -7.967 1.00 0.00 C ATOM 1113 O THR A 86 -9.316 -15.594 -8.652 1.00 0.00 O ATOM 1114 CB THR A 86 -11.997 -14.990 -6.945 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.119 -15.139 -8.344 1.00 0.00 O ATOM 1116 CG2 THR A 86 -12.603 -13.609 -6.648 1.00 0.00 C ATOM 0 H THR A 86 -10.441 -12.990 -5.950 1.00 0.00 H new ATOM 0 HA THR A 86 -10.164 -15.960 -6.283 1.00 0.00 H new ATOM 0 HB THR A 86 -12.486 -15.759 -6.346 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.067 -15.146 -8.591 1.00 0.00 H new ATOM 0 HG21 THR A 86 -13.673 -13.630 -6.853 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.439 -13.357 -5.600 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.127 -12.859 -7.280 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.667 -13.433 -8.288 1.00 0.00 N ATOM 1125 CA PHE A 87 -8.973 -13.058 -9.537 1.00 0.00 C ATOM 1126 C PHE A 87 -7.520 -13.481 -9.464 1.00 0.00 C ATOM 1127 O PHE A 87 -7.232 -14.598 -9.093 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.084 -11.521 -9.762 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.431 -10.727 -8.612 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -8.975 -10.739 -7.338 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.314 -9.945 -8.850 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.414 -9.986 -6.330 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -6.759 -9.193 -7.839 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.309 -9.215 -6.580 1.00 0.00 C ATOM 0 H PHE A 87 -10.037 -12.656 -7.740 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.442 -13.568 -10.378 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.606 -11.256 -10.705 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.134 -11.241 -9.847 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.846 -11.344 -7.133 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.874 -9.925 -9.836 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.846 -10.003 -5.340 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.889 -8.584 -8.036 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.871 -8.625 -5.788 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.616 -12.609 -9.804 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.185 -13.032 -9.734 1.00 0.00 C ATOM 1146 C ASN A 88 -4.213 -11.958 -10.212 1.00 0.00 C ATOM 1147 O ASN A 88 -3.015 -12.145 -10.118 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.005 -14.275 -10.635 1.00 0.00 C ATOM 1149 CG ASN A 88 -5.989 -14.209 -11.814 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -7.148 -14.804 -11.712 1.00 0.00 O flip ATOM 1151 ND2 ASN A 88 -5.707 -13.617 -12.837 1.00 0.00 N flip ATOM 0 H ASN A 88 -6.791 -11.654 -10.117 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.958 -13.235 -8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.981 -14.322 -11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.176 -15.183 -10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.804 -13.150 -12.924 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.373 -13.587 -13.609 1.00 0.00 H new ATOM 1158 N SER A 89 -4.721 -10.861 -10.719 1.00 0.00 N ATOM 1159 CA SER A 89 -3.793 -9.791 -11.197 1.00 0.00 C ATOM 1160 C SER A 89 -4.252 -8.396 -10.810 1.00 0.00 C ATOM 1161 O SER A 89 -5.426 -8.041 -10.921 1.00 0.00 O ATOM 1162 CB SER A 89 -3.712 -9.858 -12.715 1.00 0.00 C ATOM 1163 OG SER A 89 -4.583 -10.923 -13.070 1.00 0.00 O ATOM 0 H SER A 89 -5.716 -10.663 -10.821 1.00 0.00 H new ATOM 0 HA SER A 89 -2.826 -9.968 -10.727 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.026 -8.919 -13.171 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.693 -10.050 -13.050 1.00 0.00 H new ATOM 0 HG SER A 89 -4.588 -11.031 -14.044 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.306 -7.612 -10.398 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.634 -6.239 -9.998 1.00 0.00 C ATOM 1171 C VAL A 90 -3.734 -5.377 -11.223 1.00 0.00 C ATOM 1172 O VAL A 90 -4.551 -4.481 -11.294 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.521 -5.694 -9.088 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.929 -4.313 -8.560 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -2.320 -6.645 -7.906 1.00 0.00 C ATOM 0 H VAL A 90 -2.322 -7.868 -10.323 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.583 -6.231 -9.463 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.594 -5.612 -9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.142 -3.923 -7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.080 -3.633 -9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.855 -4.400 -7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.531 -6.260 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.248 -6.722 -7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.037 -7.631 -8.276 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.902 -5.665 -12.181 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.938 -4.876 -13.404 1.00 0.00 C ATOM 1187 C VAL A 91 -4.360 -4.835 -13.879 1.00 0.00 C ATOM 1188 O VAL A 91 -4.791 -3.898 -14.504 1.00 0.00 O ATOM 1189 CB VAL A 91 -2.062 -5.557 -14.465 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.380 -4.486 -15.317 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.987 -6.416 -13.791 1.00 0.00 C ATOM 0 H VAL A 91 -2.208 -6.412 -12.156 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.566 -3.867 -13.227 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.690 -6.192 -15.090 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.756 -4.964 -16.072 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.137 -3.874 -15.806 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.759 -3.855 -14.680 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.372 -6.894 -14.554 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.359 -5.785 -13.161 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.464 -7.181 -13.178 1.00 0.00 H new ATOM 1201 N GLU A 92 -5.065 -5.877 -13.556 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.479 -5.960 -13.957 1.00 0.00 C ATOM 1203 C GLU A 92 -7.283 -5.009 -13.097 1.00 0.00 C ATOM 1204 O GLU A 92 -8.026 -4.185 -13.593 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.973 -7.394 -13.707 1.00 0.00 C ATOM 1206 CG GLU A 92 -8.295 -7.602 -14.437 1.00 0.00 C ATOM 1207 CD GLU A 92 -9.250 -8.394 -13.543 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -9.165 -9.610 -13.604 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -10.013 -7.740 -12.852 1.00 0.00 O ATOM 0 H GLU A 92 -4.715 -6.677 -13.028 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.592 -5.700 -15.009 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.233 -8.113 -14.058 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.103 -7.566 -12.638 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.736 -6.639 -14.696 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.127 -8.137 -15.372 1.00 0.00 H new ATOM 1216 N LEU A 93 -7.116 -5.146 -11.808 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.857 -4.255 -10.876 1.00 0.00 C ATOM 1218 C LEU A 93 -7.381 -2.818 -11.052 1.00 0.00 C ATOM 1219 O LEU A 93 -8.118 -1.955 -11.504 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.546 -4.738 -9.423 1.00 0.00 C ATOM 1221 CG LEU A 93 -8.011 -3.698 -8.364 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.868 -4.407 -7.325 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.787 -3.096 -7.645 1.00 0.00 C ATOM 0 H LEU A 93 -6.503 -5.831 -11.366 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.928 -4.292 -11.075 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.043 -5.691 -9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.475 -4.912 -9.318 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.574 -2.908 -8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.201 -3.688 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.736 -4.852 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.282 -5.189 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.121 -2.369 -6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.230 -3.890 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.143 -2.603 -8.373 1.00 0.00 H new ATOM 1235 N ILE A 94 -6.163 -2.592 -10.687 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.600 -1.248 -10.811 1.00 0.00 C ATOM 1237 C ILE A 94 -5.968 -0.611 -12.145 1.00 0.00 C ATOM 1238 O ILE A 94 -6.169 0.576 -12.216 1.00 0.00 O ATOM 1239 CB ILE A 94 -4.066 -1.377 -10.661 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.577 -0.530 -9.483 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -3.336 -0.926 -11.961 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.764 0.964 -9.776 1.00 0.00 C ATOM 0 H ILE A 94 -5.530 -3.294 -10.304 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.007 -0.597 -10.038 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.835 -2.426 -10.477 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.126 -0.801 -8.581 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.525 -0.739 -9.290 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.259 -1.027 -11.827 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.658 -1.550 -12.794 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.579 0.115 -12.172 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.410 1.548 -8.927 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.194 1.235 -10.665 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.821 1.172 -9.945 1.00 0.00 H new ATOM 1254 N ASN A 95 -6.039 -1.398 -13.181 1.00 0.00 N ATOM 1255 CA ASN A 95 -6.396 -0.810 -14.494 1.00 0.00 C ATOM 1256 C ASN A 95 -7.814 -0.280 -14.464 1.00 0.00 C ATOM 1257 O ASN A 95 -8.077 0.834 -14.888 1.00 0.00 O ATOM 1258 CB ASN A 95 -6.312 -1.894 -15.573 1.00 0.00 C ATOM 1259 CG ASN A 95 -7.102 -1.435 -16.801 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -8.295 -1.648 -16.900 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -6.479 -0.804 -17.757 1.00 0.00 N ATOM 0 H ASN A 95 -5.868 -2.404 -13.175 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.704 0.004 -14.711 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.272 -2.078 -15.842 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.715 -2.834 -15.195 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.992 -0.492 -18.581 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.478 -0.622 -17.680 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.713 -1.083 -13.954 1.00 0.00 N ATOM 1269 CA HIS A 96 -10.116 -0.640 -13.891 1.00 0.00 C ATOM 1270 C HIS A 96 -10.236 0.660 -13.109 1.00 0.00 C ATOM 1271 O HIS A 96 -11.213 1.372 -13.244 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.943 -1.729 -13.191 1.00 0.00 C ATOM 1273 CG HIS A 96 -12.343 -1.766 -13.808 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.961 -0.768 -14.234 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -13.186 -2.840 -14.021 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -14.099 -1.086 -14.694 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -14.336 -2.396 -14.600 1.00 0.00 N ATOM 0 H HIS A 96 -8.528 -2.016 -13.585 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.483 -0.470 -14.903 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.458 -2.699 -13.300 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.008 -1.524 -12.122 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -12.596 0.184 -14.214 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -12.968 -3.867 -13.769 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.797 -0.377 -15.114 1.00 0.00 H new ATOM 1285 N TYR A 97 -9.240 0.949 -12.298 1.00 0.00 N ATOM 1286 CA TYR A 97 -9.294 2.210 -11.500 1.00 0.00 C ATOM 1287 C TYR A 97 -8.445 3.313 -12.125 1.00 0.00 C ATOM 1288 O TYR A 97 -8.832 4.466 -12.128 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.759 1.917 -10.093 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.898 1.372 -9.225 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -11.020 2.137 -8.975 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.820 0.107 -8.686 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -12.045 1.647 -8.203 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.846 -0.386 -7.911 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.969 0.380 -7.663 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.996 -0.114 -6.885 1.00 0.00 O ATOM 0 H TYR A 97 -8.409 0.375 -12.159 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.328 2.553 -11.471 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.946 1.193 -10.144 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.350 2.825 -9.650 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -11.092 3.131 -9.391 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.948 -0.503 -8.872 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.916 2.258 -8.018 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.772 -1.379 -7.494 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.775 -1.022 -6.589 1.00 0.00 H new ATOM 1306 N ARG A 98 -7.307 2.949 -12.646 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.437 3.974 -13.268 1.00 0.00 C ATOM 1308 C ARG A 98 -7.234 4.814 -14.252 1.00 0.00 C ATOM 1309 O ARG A 98 -7.064 6.011 -14.329 1.00 0.00 O ATOM 1310 CB ARG A 98 -5.298 3.261 -14.017 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.953 3.705 -13.423 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.809 2.942 -14.106 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.247 3.786 -15.199 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.021 3.580 -15.604 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -0.547 2.363 -15.587 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -0.312 4.597 -16.011 1.00 0.00 N ATOM 0 H ARG A 98 -6.948 1.995 -12.666 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.034 4.627 -12.494 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.409 2.180 -13.930 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.338 3.501 -15.079 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.820 4.778 -13.560 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.939 3.517 -12.349 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.032 2.699 -13.381 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.174 1.998 -14.510 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.814 4.518 -15.627 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.131 1.593 -15.262 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.407 2.183 -15.899 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.716 5.534 -16.010 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.646 4.455 -16.330 1.00 0.00 H new ATOM 1330 N ASN A 99 -8.094 4.168 -14.985 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.912 4.914 -15.968 1.00 0.00 C ATOM 1332 C ASN A 99 -10.033 5.661 -15.265 1.00 0.00 C ATOM 1333 O ASN A 99 -10.603 6.586 -15.808 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.532 3.910 -16.933 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.959 4.130 -18.335 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -8.032 3.461 -18.750 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -9.479 5.054 -19.096 1.00 0.00 N ATOM 0 H ASN A 99 -8.263 3.163 -14.945 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.281 5.630 -16.494 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.325 2.893 -16.599 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.616 4.026 -16.949 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.108 5.212 -20.033 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.257 5.618 -18.754 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.322 5.233 -14.063 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.403 5.883 -13.275 1.00 0.00 C ATOM 1346 C GLU A 100 -10.869 6.504 -11.983 1.00 0.00 C ATOM 1347 O GLU A 100 -10.346 7.599 -11.993 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.443 4.811 -12.929 1.00 0.00 C ATOM 1349 CG GLU A 100 -13.001 4.233 -14.229 1.00 0.00 C ATOM 1350 CD GLU A 100 -14.488 3.917 -14.051 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.755 2.885 -13.459 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -15.272 4.726 -14.519 1.00 0.00 O ATOM 0 H GLU A 100 -9.852 4.458 -13.595 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.840 6.686 -13.869 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.988 4.023 -12.329 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -13.246 5.242 -12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.865 4.944 -15.044 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.456 3.329 -14.501 1.00 0.00 H new ATOM 1359 N SER A 101 -11.010 5.791 -10.895 1.00 0.00 N ATOM 1360 CA SER A 101 -10.518 6.324 -9.591 1.00 0.00 C ATOM 1361 C SER A 101 -11.120 5.530 -8.445 1.00 0.00 C ATOM 1362 O SER A 101 -12.225 5.032 -8.548 1.00 0.00 O ATOM 1363 CB SER A 101 -10.970 7.787 -9.450 1.00 0.00 C ATOM 1364 OG SER A 101 -9.848 8.543 -9.884 1.00 0.00 O ATOM 0 H SER A 101 -11.442 4.868 -10.854 1.00 0.00 H new ATOM 0 HA SER A 101 -9.431 6.248 -9.562 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.849 7.993 -10.061 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.235 8.024 -8.420 1.00 0.00 H new ATOM 0 HG SER A 101 -9.658 8.336 -10.823 1.00 0.00 H new ATOM 1370 N LEU A 102 -10.392 5.421 -7.378 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.918 4.660 -6.219 1.00 0.00 C ATOM 1372 C LEU A 102 -11.662 5.589 -5.273 1.00 0.00 C ATOM 1373 O LEU A 102 -11.093 6.113 -4.335 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.731 4.018 -5.480 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.774 3.405 -6.513 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -7.564 4.313 -6.676 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.302 2.030 -6.034 1.00 0.00 C ATOM 0 H LEU A 102 -9.462 5.822 -7.257 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.609 3.893 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.211 4.766 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.086 3.250 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.295 3.299 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.882 3.882 -7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.890 5.295 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.053 4.413 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.624 1.601 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.783 2.135 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.163 1.373 -5.908 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.228 9.439 -6.769 1.00 0.00 N ATOM 1535 CA LYS A 112 -6.900 9.007 -8.157 1.00 0.00 C ATOM 1536 C LYS A 112 -5.398 8.812 -8.282 1.00 0.00 C ATOM 1537 O LYS A 112 -4.645 9.764 -8.214 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.328 10.114 -9.135 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.371 11.009 -8.469 1.00 0.00 C ATOM 1540 CD LYS A 112 -9.016 11.899 -9.534 1.00 0.00 C ATOM 1541 CE LYS A 112 -9.842 12.988 -8.849 1.00 0.00 C ATOM 1542 NZ LYS A 112 -8.950 13.967 -8.169 1.00 0.00 N ATOM 0 HA LYS A 112 -7.418 8.075 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.462 10.706 -9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.739 9.673 -10.043 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.130 10.401 -7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.904 11.622 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.247 12.350 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.651 11.301 -10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.461 13.501 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.518 12.537 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.463 14.860 -8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.651 13.584 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.112 14.142 -8.760 1.00 0.00 H new ATOM 1556 N LEU A 113 -4.984 7.589 -8.463 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.526 7.330 -8.589 1.00 0.00 C ATOM 1558 C LEU A 113 -3.094 7.344 -10.057 1.00 0.00 C ATOM 1559 O LEU A 113 -2.815 6.315 -10.640 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.188 5.950 -7.952 1.00 0.00 C ATOM 1561 CG LEU A 113 -4.418 5.034 -7.943 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -4.814 4.712 -9.389 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.056 3.736 -7.221 1.00 0.00 C ATOM 0 H LEU A 113 -5.585 6.768 -8.528 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.985 8.119 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.381 5.476 -8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.829 6.094 -6.933 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.248 5.525 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.688 4.061 -9.390 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.049 5.637 -9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.986 4.209 -9.890 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.922 3.074 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.234 3.247 -7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.754 3.961 -6.198 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.057 8.528 -10.624 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.652 8.663 -12.039 1.00 0.00 C ATOM 1577 C LEU A 114 -1.230 9.216 -12.160 1.00 0.00 C ATOM 1578 O LEU A 114 -0.896 9.877 -13.125 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.631 9.644 -12.704 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.886 8.881 -13.106 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -6.099 9.811 -13.044 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -4.706 8.386 -14.525 1.00 0.00 C ATOM 0 H LEU A 114 -3.293 9.403 -10.156 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.672 7.685 -12.519 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.883 10.451 -12.016 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.171 10.103 -13.579 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.047 8.043 -12.428 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.995 9.261 -13.332 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.217 10.188 -12.028 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.951 10.647 -13.727 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.595 7.836 -14.834 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.556 9.236 -15.191 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.837 7.729 -14.574 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.417 8.934 -11.181 1.00 0.00 N ATOM 1595 CA TYR A 115 0.983 9.435 -11.225 1.00 0.00 C ATOM 1596 C TYR A 115 1.941 8.434 -10.588 1.00 0.00 C ATOM 1597 O TYR A 115 2.448 8.656 -9.507 1.00 0.00 O ATOM 1598 CB TYR A 115 1.046 10.741 -10.427 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.107 11.636 -10.858 1.00 0.00 C ATOM 1600 CD1 TYR A 115 0.038 12.494 -11.924 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.317 11.585 -10.198 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -1.009 13.292 -12.329 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.366 12.383 -10.601 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.221 13.243 -11.670 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.269 14.044 -12.075 1.00 0.00 O ATOM 0 H TYR A 115 -0.659 8.382 -10.358 1.00 0.00 H new ATOM 0 HA TYR A 115 1.275 9.586 -12.264 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.984 10.534 -9.359 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.998 11.243 -10.599 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.981 12.542 -12.448 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.443 10.915 -9.360 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.881 13.960 -13.168 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.309 12.335 -10.076 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.046 13.880 -11.501 1.00 0.00 H new ATOM 1615 N PRO A 116 2.174 7.338 -11.279 1.00 0.00 N ATOM 1616 CA PRO A 116 3.066 6.302 -10.787 1.00 0.00 C ATOM 1617 C PRO A 116 4.508 6.681 -11.041 1.00 0.00 C ATOM 1618 O PRO A 116 4.829 7.228 -12.077 1.00 0.00 O ATOM 1619 CB PRO A 116 2.726 5.072 -11.634 1.00 0.00 C ATOM 1620 CG PRO A 116 1.908 5.582 -12.866 1.00 0.00 C ATOM 1621 CD PRO A 116 1.564 7.058 -12.590 1.00 0.00 C ATOM 0 HA PRO A 116 2.947 6.140 -9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.634 4.563 -11.957 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.146 4.353 -11.056 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.489 5.485 -13.783 1.00 0.00 H new ATOM 0 HG3 PRO A 116 1.001 4.992 -12.999 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.968 7.711 -13.364 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.486 7.217 -12.569 1.00 0.00 H new ATOM 1629 N VAL A 117 5.358 6.392 -10.109 1.00 0.00 N ATOM 1630 CA VAL A 117 6.769 6.744 -10.323 1.00 0.00 C ATOM 1631 C VAL A 117 7.423 5.673 -11.182 1.00 0.00 C ATOM 1632 O VAL A 117 6.745 4.795 -11.676 1.00 0.00 O ATOM 1633 CB VAL A 117 7.462 6.834 -8.961 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.270 8.243 -8.401 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.833 5.828 -8.002 1.00 0.00 C ATOM 0 H VAL A 117 5.139 5.935 -9.224 1.00 0.00 H new ATOM 0 HA VAL A 117 6.853 7.704 -10.833 1.00 0.00 H new ATOM 0 HB VAL A 117 8.524 6.616 -9.074 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.760 8.319 -7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.707 8.969 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.205 8.447 -8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.327 5.892 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.772 6.051 -7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.950 4.821 -8.403 1.00 0.00 H new ATOM 1645 N SER A 118 8.715 5.753 -11.363 1.00 0.00 N ATOM 1646 CA SER A 118 9.382 4.721 -12.201 1.00 0.00 C ATOM 1647 C SER A 118 10.751 4.355 -11.679 1.00 0.00 C ATOM 1648 O SER A 118 11.240 4.919 -10.722 1.00 0.00 O ATOM 1649 CB SER A 118 9.541 5.279 -13.608 1.00 0.00 C ATOM 1650 OG SER A 118 10.299 4.296 -14.299 1.00 0.00 O ATOM 0 H SER A 118 9.324 6.473 -10.975 1.00 0.00 H new ATOM 0 HA SER A 118 8.765 3.823 -12.184 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.573 5.439 -14.083 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.054 6.241 -13.598 1.00 0.00 H new ATOM 0 HG SER A 118 10.444 4.585 -15.224 1.00 0.00 H new