USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 635 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 NoAdj-H: A 44 HIS HD1 : A 44 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 72 GLN : amide:sc= -0.03 X(o=-0.063,f=-0.41) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.033 X(o=-0.063,f=0) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0053 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.6!) USER MOD Single : A 32 GLN : amide:sc= -0.98 K(o=-0.98,f=-4.1!) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.414 F(o=-3.1!,f=-0.41) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -3.47 F(o=-6.1!,f=-3.5) USER MOD Single : A 41 ASN : amide:sc=-0.00136 K(o=-0.0014,f=-2) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -5.86! C(o=-5.9!,f=-11!) USER MOD Single : A 48 HIS : no HE2:sc= -7.65! C(o=-7.6!,f=-11!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0932) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.393 F(o=-2,f=-0.39) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -153:sc= -3.94! (180deg=-6.86!) USER MOD Single : A 74 LYS NZ :NH3+ -132:sc= -0.242 (180deg=-1.12) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0823 K(o=-0.082,f=-1.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.802 K(o=-0.8,f=-2.8!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0818 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.629 30.840 17.308 1.00 0.00 N ATOM 2 CA GLY A 1 -20.767 30.276 16.606 1.00 0.00 C ATOM 3 C GLY A 1 -20.613 28.790 16.351 1.00 0.00 C ATOM 4 O GLY A 1 -20.130 28.053 17.211 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.965 31.489 18.048 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.076 30.075 17.744 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.030 31.361 16.636 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.672 30.450 17.189 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.896 30.793 15.655 1.00 0.00 H new ATOM 8 N SER A 2 -21.024 28.348 15.167 1.00 0.00 N ATOM 9 CA SER A 2 -20.934 26.939 14.803 1.00 0.00 C ATOM 10 C SER A 2 -20.188 26.765 13.484 1.00 0.00 C ATOM 11 O SER A 2 -20.754 26.958 12.408 1.00 0.00 O ATOM 12 CB SER A 2 -22.333 26.328 14.696 1.00 0.00 C ATOM 13 OG SER A 2 -22.278 24.913 14.764 1.00 0.00 O ATOM 0 H SER A 2 -21.423 28.946 14.443 1.00 0.00 H new ATOM 0 HA SER A 2 -20.378 26.422 15.585 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.962 26.710 15.500 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.795 26.632 13.757 1.00 0.00 H new ATOM 0 HG SER A 2 -23.184 24.547 14.695 1.00 0.00 H new ATOM 19 N SER A 3 -18.914 26.399 13.575 1.00 0.00 N ATOM 20 CA SER A 3 -18.088 26.202 12.390 1.00 0.00 C ATOM 21 C SER A 3 -17.659 24.743 12.263 1.00 0.00 C ATOM 22 O SER A 3 -17.893 23.935 13.160 1.00 0.00 O ATOM 23 CB SER A 3 -16.854 27.105 12.447 1.00 0.00 C ATOM 24 OG SER A 3 -16.024 26.766 13.544 1.00 0.00 O ATOM 0 H SER A 3 -18.431 26.233 14.458 1.00 0.00 H new ATOM 0 HA SER A 3 -18.682 26.465 11.515 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.290 27.014 11.519 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.165 28.146 12.531 1.00 0.00 H new ATOM 0 HG SER A 3 -15.242 27.356 13.557 1.00 0.00 H new ATOM 30 N GLY A 4 -17.029 24.414 11.139 1.00 0.00 N ATOM 31 CA GLY A 4 -16.577 23.054 10.913 1.00 0.00 C ATOM 32 C GLY A 4 -15.067 22.949 10.840 1.00 0.00 C ATOM 33 O GLY A 4 -14.353 23.805 11.361 1.00 0.00 O ATOM 0 H GLY A 4 -16.824 25.065 10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.944 22.414 11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.009 22.680 9.985 1.00 0.00 H new ATOM 37 N SER A 5 -14.579 21.895 10.193 1.00 0.00 N ATOM 38 CA SER A 5 -13.143 21.678 10.059 1.00 0.00 C ATOM 39 C SER A 5 -12.466 22.896 9.438 1.00 0.00 C ATOM 40 O SER A 5 -13.006 23.525 8.528 1.00 0.00 O ATOM 41 CB SER A 5 -12.871 20.439 9.204 1.00 0.00 C ATOM 42 OG SER A 5 -11.540 19.984 9.375 1.00 0.00 O ATOM 0 H SER A 5 -15.157 21.178 9.754 1.00 0.00 H new ATOM 0 HA SER A 5 -12.729 21.522 11.055 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.568 19.646 9.476 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.047 20.672 8.154 1.00 0.00 H new ATOM 0 HG SER A 5 -11.392 19.190 8.819 1.00 0.00 H new ATOM 48 N SER A 6 -11.278 23.223 9.937 1.00 0.00 N ATOM 49 CA SER A 6 -10.527 24.368 9.436 1.00 0.00 C ATOM 50 C SER A 6 -9.103 24.366 9.983 1.00 0.00 C ATOM 51 O SER A 6 -8.862 23.949 11.115 1.00 0.00 O ATOM 52 CB SER A 6 -11.230 25.673 9.816 1.00 0.00 C ATOM 53 OG SER A 6 -10.870 26.722 8.935 1.00 0.00 O ATOM 0 H SER A 6 -10.815 22.711 10.688 1.00 0.00 H new ATOM 0 HA SER A 6 -10.480 24.292 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.310 25.528 9.792 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.968 25.946 10.838 1.00 0.00 H new ATOM 0 HG SER A 6 -11.334 27.544 9.198 1.00 0.00 H new ATOM 59 N GLY A 7 -8.162 24.835 9.170 1.00 0.00 N ATOM 60 CA GLY A 7 -6.773 24.879 9.589 1.00 0.00 C ATOM 61 C GLY A 7 -6.261 26.296 9.752 1.00 0.00 C ATOM 62 O GLY A 7 -6.982 27.173 10.227 1.00 0.00 O ATOM 0 H GLY A 7 -8.337 25.186 8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.665 24.346 10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.159 24.356 8.856 1.00 0.00 H new ATOM 66 N ALA A 8 -5.011 26.521 9.359 1.00 0.00 N ATOM 67 CA ALA A 8 -4.404 27.842 9.464 1.00 0.00 C ATOM 68 C ALA A 8 -3.783 28.267 8.138 1.00 0.00 C ATOM 69 O ALA A 8 -4.119 29.319 7.594 1.00 0.00 O ATOM 70 CB ALA A 8 -3.356 27.854 10.568 1.00 0.00 C ATOM 0 H ALA A 8 -4.400 25.806 8.965 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.188 28.557 9.714 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.910 28.846 10.636 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.826 27.601 11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.580 27.123 10.341 1.00 0.00 H new ATOM 76 N ASP A 9 -2.875 27.445 7.624 1.00 0.00 N ATOM 77 CA ASP A 9 -2.208 27.736 6.361 1.00 0.00 C ATOM 78 C ASP A 9 -2.493 26.647 5.331 1.00 0.00 C ATOM 79 O ASP A 9 -1.641 26.320 4.506 1.00 0.00 O ATOM 80 CB ASP A 9 -0.699 27.868 6.576 1.00 0.00 C ATOM 81 CG ASP A 9 -0.099 26.643 7.237 1.00 0.00 C ATOM 82 OD1 ASP A 9 -0.211 25.542 6.659 1.00 0.00 O ATOM 83 OD2 ASP A 9 0.484 26.786 8.332 1.00 0.00 O ATOM 0 H ASP A 9 -2.584 26.571 8.063 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.598 28.680 5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.211 28.035 5.616 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.498 28.745 7.192 1.00 0.00 H new ATOM 88 N ASP A 10 -3.698 26.089 5.387 1.00 0.00 N ATOM 89 CA ASP A 10 -4.097 25.037 4.459 1.00 0.00 C ATOM 90 C ASP A 10 -2.940 24.078 4.196 1.00 0.00 C ATOM 91 O ASP A 10 -2.560 23.848 3.048 1.00 0.00 O ATOM 92 CB ASP A 10 -4.581 25.646 3.142 1.00 0.00 C ATOM 93 CG ASP A 10 -3.791 26.879 2.749 1.00 0.00 C ATOM 94 OD1 ASP A 10 -4.039 27.954 3.335 1.00 0.00 O ATOM 95 OD2 ASP A 10 -2.926 26.769 1.856 1.00 0.00 O ATOM 0 H ASP A 10 -4.415 26.348 6.065 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.914 24.476 4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.503 24.901 2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.635 25.907 3.232 1.00 0.00 H new ATOM 100 N PHE A 11 -2.384 23.522 5.267 1.00 0.00 N ATOM 101 CA PHE A 11 -1.269 22.589 5.152 1.00 0.00 C ATOM 102 C PHE A 11 -1.521 21.574 4.041 1.00 0.00 C ATOM 103 O PHE A 11 -0.886 21.619 2.988 1.00 0.00 O ATOM 104 CB PHE A 11 -1.044 21.863 6.480 1.00 0.00 C ATOM 105 CG PHE A 11 -1.465 22.664 7.679 1.00 0.00 C ATOM 106 CD1 PHE A 11 -2.780 22.646 8.114 1.00 0.00 C ATOM 107 CD2 PHE A 11 -0.545 23.436 8.371 1.00 0.00 C ATOM 108 CE1 PHE A 11 -3.170 23.381 9.218 1.00 0.00 C ATOM 109 CE2 PHE A 11 -0.930 24.173 9.475 1.00 0.00 C ATOM 110 CZ PHE A 11 -2.244 24.146 9.898 1.00 0.00 C ATOM 0 H PHE A 11 -2.687 23.701 6.224 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.375 23.160 4.902 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.595 20.923 6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 11 0.013 21.612 6.573 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.509 22.051 7.584 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.484 23.462 8.044 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.198 23.357 9.548 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.203 24.770 10.006 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.547 24.723 10.760 1.00 0.00 H new ATOM 120 N ALA A 12 -2.453 20.658 4.286 1.00 0.00 N ATOM 121 CA ALA A 12 -2.792 19.633 3.307 1.00 0.00 C ATOM 122 C ALA A 12 -4.161 19.895 2.688 1.00 0.00 C ATOM 123 O ALA A 12 -4.449 19.440 1.581 1.00 0.00 O ATOM 124 CB ALA A 12 -2.757 18.255 3.952 1.00 0.00 C ATOM 0 H ALA A 12 -2.986 20.605 5.154 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.050 19.668 2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.012 17.499 3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.757 18.060 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.477 18.218 4.770 1.00 0.00 H new ATOM 130 N MET A 13 -5.000 20.630 3.409 1.00 0.00 N ATOM 131 CA MET A 13 -6.339 20.953 2.929 1.00 0.00 C ATOM 132 C MET A 13 -6.289 21.505 1.508 1.00 0.00 C ATOM 133 O MET A 13 -7.204 21.286 0.715 1.00 0.00 O ATOM 134 CB MET A 13 -7.007 21.968 3.860 1.00 0.00 C ATOM 135 CG MET A 13 -8.518 21.823 3.932 1.00 0.00 C ATOM 136 SD MET A 13 -9.320 22.121 2.345 1.00 0.00 S ATOM 137 CE MET A 13 -10.088 20.529 2.050 1.00 0.00 C ATOM 0 H MET A 13 -4.777 21.013 4.328 1.00 0.00 H new ATOM 0 HA MET A 13 -6.927 20.035 2.923 1.00 0.00 H new ATOM 0 HB2 MET A 13 -6.591 21.858 4.862 1.00 0.00 H new ATOM 0 HB3 MET A 13 -6.762 22.975 3.522 1.00 0.00 H new ATOM 0 HG2 MET A 13 -8.767 20.820 4.278 1.00 0.00 H new ATOM 0 HG3 MET A 13 -8.911 22.521 4.671 1.00 0.00 H new ATOM 0 HE1 MET A 13 -10.625 20.554 1.102 1.00 0.00 H new ATOM 0 HE2 MET A 13 -9.320 19.756 2.012 1.00 0.00 H new ATOM 0 HE3 MET A 13 -10.787 20.307 2.857 1.00 0.00 H new ATOM 147 N GLU A 14 -5.214 22.223 1.194 1.00 0.00 N ATOM 148 CA GLU A 14 -5.047 22.806 -0.132 1.00 0.00 C ATOM 149 C GLU A 14 -5.057 21.725 -1.208 1.00 0.00 C ATOM 150 O GLU A 14 -5.909 21.725 -2.096 1.00 0.00 O ATOM 151 CB GLU A 14 -3.741 23.600 -0.203 1.00 0.00 C ATOM 152 CG GLU A 14 -3.753 24.699 -1.252 1.00 0.00 C ATOM 153 CD GLU A 14 -4.602 25.887 -0.844 1.00 0.00 C ATOM 154 OE1 GLU A 14 -5.497 25.710 0.009 1.00 0.00 O ATOM 155 OE2 GLU A 14 -4.372 26.992 -1.377 1.00 0.00 O ATOM 0 H GLU A 14 -4.447 22.414 1.839 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.884 23.480 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.541 24.043 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.920 22.915 -0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.732 25.033 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.129 24.295 -2.192 1.00 0.00 H new ATOM 162 N MET A 15 -4.102 20.804 -1.121 1.00 0.00 N ATOM 163 CA MET A 15 -4.001 19.715 -2.087 1.00 0.00 C ATOM 164 C MET A 15 -4.110 18.361 -1.393 1.00 0.00 C ATOM 165 O MET A 15 -4.816 17.469 -1.861 1.00 0.00 O ATOM 166 CB MET A 15 -2.679 19.805 -2.851 1.00 0.00 C ATOM 167 CG MET A 15 -2.611 20.980 -3.812 1.00 0.00 C ATOM 168 SD MET A 15 -3.784 20.833 -5.173 1.00 0.00 S ATOM 169 CE MET A 15 -2.682 20.931 -6.582 1.00 0.00 C ATOM 0 H MET A 15 -3.388 20.790 -0.393 1.00 0.00 H new ATOM 0 HA MET A 15 -4.827 19.809 -2.792 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.860 19.883 -2.136 1.00 0.00 H new ATOM 0 HB3 MET A 15 -2.528 18.881 -3.409 1.00 0.00 H new ATOM 0 HG2 MET A 15 -2.808 21.903 -3.266 1.00 0.00 H new ATOM 0 HG3 MET A 15 -1.601 21.057 -4.215 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.261 20.855 -7.503 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.152 21.884 -6.564 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.961 20.114 -6.538 1.00 0.00 H new ATOM 179 N GLY A 16 -3.407 18.216 -0.274 1.00 0.00 N ATOM 180 CA GLY A 16 -3.439 16.967 0.465 1.00 0.00 C ATOM 181 C GLY A 16 -2.608 15.883 -0.192 1.00 0.00 C ATOM 182 O GLY A 16 -3.137 14.853 -0.612 1.00 0.00 O ATOM 0 H GLY A 16 -2.816 18.941 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.073 17.138 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.471 16.627 0.553 1.00 0.00 H new ATOM 186 N LEU A 17 -1.303 16.114 -0.283 1.00 0.00 N ATOM 187 CA LEU A 17 -0.396 15.149 -0.896 1.00 0.00 C ATOM 188 C LEU A 17 0.639 14.659 0.112 1.00 0.00 C ATOM 189 O LEU A 17 1.719 14.206 -0.264 1.00 0.00 O ATOM 190 CB LEU A 17 0.307 15.775 -2.102 1.00 0.00 C ATOM 191 CG LEU A 17 0.943 17.146 -1.871 1.00 0.00 C ATOM 192 CD1 LEU A 17 2.151 17.333 -2.775 1.00 0.00 C ATOM 193 CD2 LEU A 17 -0.076 18.253 -2.105 1.00 0.00 C ATOM 0 H LEU A 17 -0.849 16.961 0.060 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.985 14.295 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.083 15.089 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.416 15.864 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 17 1.278 17.200 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.591 18.314 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.889 16.560 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.841 17.259 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.394 19.222 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.441 18.201 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.912 18.130 -1.416 1.00 0.00 H new ATOM 205 N ALA A 18 0.299 14.751 1.394 1.00 0.00 N ATOM 206 CA ALA A 18 1.196 14.312 2.455 1.00 0.00 C ATOM 207 C ALA A 18 0.714 13.006 3.077 1.00 0.00 C ATOM 208 O ALA A 18 -0.488 12.767 3.191 1.00 0.00 O ATOM 209 CB ALA A 18 1.321 15.391 3.520 1.00 0.00 C ATOM 0 H ALA A 18 -0.591 15.126 1.722 1.00 0.00 H new ATOM 0 HA ALA A 18 2.178 14.134 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.994 15.050 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.719 16.301 3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.339 15.597 3.947 1.00 0.00 H new ATOM 215 N CYS A 19 1.660 12.162 3.477 1.00 0.00 N ATOM 216 CA CYS A 19 1.332 10.879 4.086 1.00 0.00 C ATOM 217 C CYS A 19 0.653 11.076 5.438 1.00 0.00 C ATOM 218 O CYS A 19 0.409 12.205 5.864 1.00 0.00 O ATOM 219 CB CYS A 19 2.596 10.034 4.257 1.00 0.00 C ATOM 220 SG CYS A 19 3.474 10.319 5.827 1.00 0.00 S ATOM 0 H CYS A 19 2.660 12.344 3.390 1.00 0.00 H new ATOM 0 HA CYS A 19 0.640 10.358 3.424 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.327 8.980 4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.275 10.243 3.430 1.00 0.00 H new ATOM 225 N VAL A 20 0.349 9.969 6.108 1.00 0.00 N ATOM 226 CA VAL A 20 -0.301 10.019 7.412 1.00 0.00 C ATOM 227 C VAL A 20 0.683 9.695 8.530 1.00 0.00 C ATOM 228 O VAL A 20 0.458 10.039 9.690 1.00 0.00 O ATOM 229 CB VAL A 20 -1.487 9.039 7.487 1.00 0.00 C ATOM 230 CG1 VAL A 20 -1.151 7.739 6.772 1.00 0.00 C ATOM 231 CG2 VAL A 20 -1.871 8.776 8.935 1.00 0.00 C ATOM 0 H VAL A 20 0.543 9.027 5.769 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.671 11.036 7.541 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.342 9.492 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.000 7.059 6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.929 7.946 5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.282 7.279 7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.711 8.082 8.968 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.021 8.344 9.464 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.157 9.714 9.412 1.00 0.00 H new ATOM 241 N VAL A 21 1.777 9.029 8.173 1.00 0.00 N ATOM 242 CA VAL A 21 2.798 8.659 9.146 1.00 0.00 C ATOM 243 C VAL A 21 3.483 9.894 9.721 1.00 0.00 C ATOM 244 O VAL A 21 3.218 10.293 10.855 1.00 0.00 O ATOM 245 CB VAL A 21 3.863 7.740 8.519 1.00 0.00 C ATOM 246 CG1 VAL A 21 4.942 7.401 9.536 1.00 0.00 C ATOM 247 CG2 VAL A 21 3.219 6.475 7.971 1.00 0.00 C ATOM 0 H VAL A 21 1.979 8.735 7.217 1.00 0.00 H new ATOM 0 HA VAL A 21 2.291 8.122 9.948 1.00 0.00 H new ATOM 0 HB VAL A 21 4.332 8.270 7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.685 6.751 9.075 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.423 8.318 9.876 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.492 6.890 10.387 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.986 5.837 7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.722 5.940 8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.487 6.740 7.208 1.00 0.00 H new ATOM 257 N CYS A 22 4.366 10.496 8.930 1.00 0.00 N ATOM 258 CA CYS A 22 5.090 11.686 9.359 1.00 0.00 C ATOM 259 C CYS A 22 4.328 12.953 8.980 1.00 0.00 C ATOM 260 O CYS A 22 4.652 14.046 9.443 1.00 0.00 O ATOM 261 CB CYS A 22 6.487 11.711 8.735 1.00 0.00 C ATOM 262 SG CYS A 22 6.495 12.040 6.944 1.00 0.00 S ATOM 0 H CYS A 22 4.597 10.179 7.989 1.00 0.00 H new ATOM 0 HA CYS A 22 5.185 11.652 10.444 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.084 12.473 9.236 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.973 10.753 8.920 1.00 0.00 H new ATOM 267 N ARG A 23 3.315 12.796 8.135 1.00 0.00 N ATOM 268 CA ARG A 23 2.507 13.926 7.692 1.00 0.00 C ATOM 269 C ARG A 23 3.358 14.936 6.929 1.00 0.00 C ATOM 270 O ARG A 23 3.359 16.126 7.244 1.00 0.00 O ATOM 271 CB ARG A 23 1.842 14.606 8.891 1.00 0.00 C ATOM 272 CG ARG A 23 0.643 13.846 9.433 1.00 0.00 C ATOM 273 CD ARG A 23 0.406 14.155 10.903 1.00 0.00 C ATOM 274 NE ARG A 23 0.100 15.566 11.124 1.00 0.00 N ATOM 275 CZ ARG A 23 -1.113 16.086 10.978 1.00 0.00 C ATOM 276 NH1 ARG A 23 -2.129 15.316 10.615 1.00 0.00 N ATOM 277 NH2 ARG A 23 -1.312 17.380 11.198 1.00 0.00 N ATOM 0 H ARG A 23 3.034 11.897 7.743 1.00 0.00 H new ATOM 0 HA ARG A 23 1.734 13.548 7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.578 14.722 9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.526 15.608 8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.245 14.107 8.857 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.802 12.775 9.306 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.417 13.543 11.274 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.291 13.882 11.478 1.00 0.00 H new ATOM 0 HE ARG A 23 0.860 16.186 11.406 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.980 14.321 10.447 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.060 15.718 10.504 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.533 17.975 11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.244 17.779 11.086 1.00 0.00 H new ATOM 291 N GLN A 24 4.082 14.453 5.924 1.00 0.00 N ATOM 292 CA GLN A 24 4.939 15.314 5.117 1.00 0.00 C ATOM 293 C GLN A 24 4.696 15.083 3.629 1.00 0.00 C ATOM 294 O GLN A 24 3.977 14.162 3.244 1.00 0.00 O ATOM 295 CB GLN A 24 6.410 15.063 5.451 1.00 0.00 C ATOM 296 CG GLN A 24 6.770 15.384 6.893 1.00 0.00 C ATOM 297 CD GLN A 24 8.261 15.566 7.095 1.00 0.00 C ATOM 298 OE1 GLN A 24 9.069 14.802 6.565 1.00 0.00 O ATOM 299 NE2 GLN A 24 8.635 16.580 7.866 1.00 0.00 N ATOM 0 H GLN A 24 4.092 13.471 5.649 1.00 0.00 H new ATOM 0 HA GLN A 24 4.693 16.350 5.350 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.646 14.018 5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.032 15.664 4.788 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.252 16.293 7.199 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.415 14.582 7.540 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.932 17.188 8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.626 16.751 8.039 1.00 0.00 H new ATOM 308 N MET A 25 5.301 15.926 2.798 1.00 0.00 N ATOM 309 CA MET A 25 5.151 15.812 1.352 1.00 0.00 C ATOM 310 C MET A 25 6.486 15.484 0.691 1.00 0.00 C ATOM 311 O MET A 25 6.548 15.226 -0.512 1.00 0.00 O ATOM 312 CB MET A 25 4.587 17.110 0.772 1.00 0.00 C ATOM 313 CG MET A 25 3.272 17.538 1.405 1.00 0.00 C ATOM 314 SD MET A 25 3.506 18.601 2.842 1.00 0.00 S ATOM 315 CE MET A 25 2.404 19.956 2.444 1.00 0.00 C ATOM 0 H MET A 25 5.899 16.695 3.101 1.00 0.00 H new ATOM 0 HA MET A 25 4.455 14.999 1.147 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.320 17.906 0.904 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.441 16.986 -0.301 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.670 18.064 0.663 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.710 16.652 1.701 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.438 20.699 3.241 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.716 20.416 1.506 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.386 19.579 2.342 1.00 0.00 H new ATOM 325 N THR A 26 7.553 15.496 1.484 1.00 0.00 N ATOM 326 CA THR A 26 8.886 15.202 0.975 1.00 0.00 C ATOM 327 C THR A 26 8.927 13.838 0.295 1.00 0.00 C ATOM 328 O THR A 26 8.597 12.820 0.903 1.00 0.00 O ATOM 329 CB THR A 26 9.936 15.233 2.102 1.00 0.00 C ATOM 330 OG1 THR A 26 9.881 16.487 2.789 1.00 0.00 O ATOM 331 CG2 THR A 26 11.335 15.016 1.544 1.00 0.00 C ATOM 0 H THR A 26 7.519 15.706 2.482 1.00 0.00 H new ATOM 0 HA THR A 26 9.124 15.976 0.245 1.00 0.00 H new ATOM 0 HB THR A 26 9.711 14.427 2.800 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.550 16.498 3.505 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.059 15.042 2.358 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.382 14.047 1.047 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.567 15.803 0.827 1.00 0.00 H new ATOM 339 N VAL A 27 9.335 13.825 -0.970 1.00 0.00 N ATOM 340 CA VAL A 27 9.420 12.585 -1.732 1.00 0.00 C ATOM 341 C VAL A 27 10.720 12.516 -2.526 1.00 0.00 C ATOM 342 O VAL A 27 11.567 13.403 -2.426 1.00 0.00 O ATOM 343 CB VAL A 27 8.232 12.438 -2.701 1.00 0.00 C ATOM 344 CG1 VAL A 27 6.959 12.103 -1.938 1.00 0.00 C ATOM 345 CG2 VAL A 27 8.053 13.708 -3.520 1.00 0.00 C ATOM 0 H VAL A 27 9.612 14.659 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 27 9.394 11.768 -1.010 1.00 0.00 H new ATOM 0 HB VAL A 27 8.444 11.617 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.130 12.003 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.094 11.165 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.740 12.901 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.209 13.587 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.863 14.548 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.958 13.900 -4.096 1.00 0.00 H new ATOM 355 N ALA A 28 10.870 11.457 -3.315 1.00 0.00 N ATOM 356 CA ALA A 28 12.066 11.274 -4.128 1.00 0.00 C ATOM 357 C ALA A 28 11.806 10.304 -5.275 1.00 0.00 C ATOM 358 O ALA A 28 10.991 9.389 -5.155 1.00 0.00 O ATOM 359 CB ALA A 28 13.219 10.780 -3.268 1.00 0.00 C ATOM 0 H ALA A 28 10.178 10.713 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 28 12.335 12.239 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.105 10.648 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.429 11.510 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.950 9.827 -2.812 1.00 0.00 H new ATOM 365 N SER A 29 12.503 10.510 -6.388 1.00 0.00 N ATOM 366 CA SER A 29 12.344 9.655 -7.559 1.00 0.00 C ATOM 367 C SER A 29 12.160 8.198 -7.147 1.00 0.00 C ATOM 368 O SER A 29 11.353 7.474 -7.729 1.00 0.00 O ATOM 369 CB SER A 29 13.557 9.787 -8.482 1.00 0.00 C ATOM 370 OG SER A 29 13.549 11.032 -9.159 1.00 0.00 O ATOM 0 H SER A 29 13.183 11.261 -6.504 1.00 0.00 H new ATOM 0 HA SER A 29 11.452 9.978 -8.095 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.473 9.692 -7.899 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.555 8.974 -9.208 1.00 0.00 H new ATOM 0 HG SER A 29 14.335 11.093 -9.741 1.00 0.00 H new ATOM 376 N GLY A 30 12.916 7.775 -6.139 1.00 0.00 N ATOM 377 CA GLY A 30 12.823 6.406 -5.665 1.00 0.00 C ATOM 378 C GLY A 30 11.793 6.242 -4.565 1.00 0.00 C ATOM 379 O GLY A 30 11.003 5.299 -4.581 1.00 0.00 O ATOM 0 H GLY A 30 13.591 8.356 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.567 5.753 -6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.797 6.085 -5.297 1.00 0.00 H new ATOM 383 N ASN A 31 11.803 7.162 -3.606 1.00 0.00 N ATOM 384 CA ASN A 31 10.864 7.113 -2.491 1.00 0.00 C ATOM 385 C ASN A 31 9.741 8.128 -2.681 1.00 0.00 C ATOM 386 O ASN A 31 9.898 9.308 -2.367 1.00 0.00 O ATOM 387 CB ASN A 31 11.592 7.383 -1.172 1.00 0.00 C ATOM 388 CG ASN A 31 12.509 6.243 -0.775 1.00 0.00 C ATOM 389 OD1 ASN A 31 13.132 5.607 -1.625 1.00 0.00 O ATOM 390 ND2 ASN A 31 12.596 5.978 0.524 1.00 0.00 N ATOM 0 H ASN A 31 12.450 7.950 -3.578 1.00 0.00 H new ATOM 0 HA ASN A 31 10.427 6.115 -2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.175 8.300 -1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.859 7.548 -0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.197 5.222 0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.062 6.531 1.194 1.00 0.00 H new ATOM 397 N GLN A 32 8.609 7.660 -3.197 1.00 0.00 N ATOM 398 CA GLN A 32 7.460 8.526 -3.429 1.00 0.00 C ATOM 399 C GLN A 32 6.339 8.222 -2.440 1.00 0.00 C ATOM 400 O GLN A 32 6.508 7.415 -1.524 1.00 0.00 O ATOM 401 CB GLN A 32 6.950 8.361 -4.862 1.00 0.00 C ATOM 402 CG GLN A 32 8.019 8.590 -5.918 1.00 0.00 C ATOM 403 CD GLN A 32 8.191 10.056 -6.265 1.00 0.00 C ATOM 404 OE1 GLN A 32 8.740 10.831 -5.482 1.00 0.00 O ATOM 405 NE2 GLN A 32 7.721 10.444 -7.445 1.00 0.00 N ATOM 0 H GLN A 32 8.463 6.686 -3.462 1.00 0.00 H new ATOM 0 HA GLN A 32 7.780 9.557 -3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.543 7.357 -4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.130 9.059 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.968 8.191 -5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.759 8.035 -6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.273 9.767 -8.063 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.808 11.419 -7.733 1.00 0.00 H new ATOM 414 N LEU A 33 5.196 8.872 -2.630 1.00 0.00 N ATOM 415 CA LEU A 33 4.047 8.671 -1.754 1.00 0.00 C ATOM 416 C LEU A 33 3.081 7.652 -2.349 1.00 0.00 C ATOM 417 O LEU A 33 3.149 7.336 -3.537 1.00 0.00 O ATOM 418 CB LEU A 33 3.325 9.998 -1.515 1.00 0.00 C ATOM 419 CG LEU A 33 3.854 10.853 -0.364 1.00 0.00 C ATOM 420 CD1 LEU A 33 3.524 12.320 -0.592 1.00 0.00 C ATOM 421 CD2 LEU A 33 3.281 10.376 0.963 1.00 0.00 C ATOM 0 H LEU A 33 5.040 9.543 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 33 4.410 8.286 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.376 10.586 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.272 9.787 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 33 4.938 10.747 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.909 12.913 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.983 12.656 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.443 12.444 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.669 10.997 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.194 10.451 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.569 9.339 1.132 1.00 0.00 H new ATOM 433 N VAL A 34 2.179 7.142 -1.515 1.00 0.00 N ATOM 434 CA VAL A 34 1.196 6.162 -1.959 1.00 0.00 C ATOM 435 C VAL A 34 -0.175 6.446 -1.356 1.00 0.00 C ATOM 436 O VAL A 34 -0.282 7.076 -0.304 1.00 0.00 O ATOM 437 CB VAL A 34 1.623 4.730 -1.585 1.00 0.00 C ATOM 438 CG1 VAL A 34 0.726 3.709 -2.269 1.00 0.00 C ATOM 439 CG2 VAL A 34 3.082 4.497 -1.946 1.00 0.00 C ATOM 0 H VAL A 34 2.110 7.392 -0.529 1.00 0.00 H new ATOM 0 HA VAL A 34 1.136 6.244 -3.044 1.00 0.00 H new ATOM 0 HB VAL A 34 1.516 4.608 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.043 2.703 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.306 3.863 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.798 3.828 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.366 3.480 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.219 4.638 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.709 5.206 -1.404 1.00 0.00 H new ATOM 449 N GLU A 35 -1.221 5.976 -2.029 1.00 0.00 N ATOM 450 CA GLU A 35 -2.586 6.181 -1.558 1.00 0.00 C ATOM 451 C GLU A 35 -3.349 4.860 -1.513 1.00 0.00 C ATOM 452 O GLU A 35 -3.380 4.114 -2.491 1.00 0.00 O ATOM 453 CB GLU A 35 -3.317 7.174 -2.463 1.00 0.00 C ATOM 454 CG GLU A 35 -4.775 7.380 -2.088 1.00 0.00 C ATOM 455 CD GLU A 35 -5.585 7.997 -3.211 1.00 0.00 C ATOM 456 OE1 GLU A 35 -5.095 8.962 -3.835 1.00 0.00 O ATOM 457 OE2 GLU A 35 -6.709 7.516 -3.467 1.00 0.00 O ATOM 0 H GLU A 35 -1.149 5.451 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.538 6.588 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.802 8.134 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.262 6.822 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.214 6.421 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.833 8.021 -1.209 1.00 0.00 H new ATOM 464 N CYS A 36 -3.964 4.578 -0.369 1.00 0.00 N ATOM 465 CA CYS A 36 -4.727 3.349 -0.193 1.00 0.00 C ATOM 466 C CYS A 36 -6.080 3.443 -0.893 1.00 0.00 C ATOM 467 O CYS A 36 -6.539 4.533 -1.231 1.00 0.00 O ATOM 468 CB CYS A 36 -4.930 3.058 1.295 1.00 0.00 C ATOM 469 SG CYS A 36 -5.836 1.514 1.634 1.00 0.00 S ATOM 0 H CYS A 36 -3.948 5.185 0.450 1.00 0.00 H new ATOM 0 HA CYS A 36 -4.161 2.533 -0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.956 3.009 1.781 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.470 3.890 1.747 1.00 0.00 H new ATOM 474 N GLN A 37 -6.711 2.293 -1.106 1.00 0.00 N ATOM 475 CA GLN A 37 -8.011 2.246 -1.766 1.00 0.00 C ATOM 476 C GLN A 37 -9.125 1.996 -0.756 1.00 0.00 C ATOM 477 O GLN A 37 -10.247 2.474 -0.925 1.00 0.00 O ATOM 478 CB GLN A 37 -8.023 1.154 -2.837 1.00 0.00 C ATOM 479 CG GLN A 37 -7.039 1.402 -3.969 1.00 0.00 C ATOM 480 CD GLN A 37 -7.223 2.760 -4.616 1.00 0.00 C ATOM 481 OE1 GLN A 37 -6.692 3.797 -3.979 1.00 0.00 O flip ATOM 482 NE2 GLN A 37 -7.836 2.877 -5.678 1.00 0.00 N flip ATOM 0 H GLN A 37 -6.344 1.382 -0.832 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.185 3.212 -2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.793 0.196 -2.370 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.028 1.074 -3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.022 1.322 -3.585 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.157 0.625 -4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.228 2.053 -6.134 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.951 3.798 -6.101 1.00 0.00 H new ATOM 491 N GLU A 38 -8.808 1.245 0.294 1.00 0.00 N ATOM 492 CA GLU A 38 -9.785 0.931 1.331 1.00 0.00 C ATOM 493 C GLU A 38 -9.965 2.109 2.283 1.00 0.00 C ATOM 494 O GLU A 38 -11.070 2.626 2.449 1.00 0.00 O ATOM 495 CB GLU A 38 -9.350 -0.310 2.113 1.00 0.00 C ATOM 496 CG GLU A 38 -10.505 -1.062 2.753 1.00 0.00 C ATOM 497 CD GLU A 38 -11.293 -0.204 3.723 1.00 0.00 C ATOM 498 OE1 GLU A 38 -10.700 0.263 4.719 1.00 0.00 O ATOM 499 OE2 GLU A 38 -12.502 0.001 3.488 1.00 0.00 O ATOM 0 H GLU A 38 -7.884 0.843 0.449 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.740 0.729 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.816 -0.983 1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.647 -0.011 2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.172 -1.428 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.119 -1.936 3.278 1.00 0.00 H new ATOM 506 N CYS A 39 -8.870 2.530 2.909 1.00 0.00 N ATOM 507 CA CYS A 39 -8.904 3.646 3.846 1.00 0.00 C ATOM 508 C CYS A 39 -8.755 4.976 3.113 1.00 0.00 C ATOM 509 O CYS A 39 -9.326 5.989 3.519 1.00 0.00 O ATOM 510 CB CYS A 39 -7.795 3.498 4.889 1.00 0.00 C ATOM 511 SG CYS A 39 -7.415 1.772 5.330 1.00 0.00 S ATOM 0 H CYS A 39 -7.947 2.114 2.783 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.870 3.635 4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.890 3.973 4.511 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -8.085 4.037 5.791 1.00 0.00 H new ATOM 516 N HIS A 40 -7.984 4.966 2.030 1.00 0.00 N ATOM 517 CA HIS A 40 -7.760 6.171 1.240 1.00 0.00 C ATOM 518 C HIS A 40 -6.817 7.128 1.963 1.00 0.00 C ATOM 519 O HIS A 40 -7.011 8.342 1.939 1.00 0.00 O ATOM 520 CB HIS A 40 -9.088 6.869 0.948 1.00 0.00 C ATOM 521 CG HIS A 40 -10.177 5.932 0.525 1.00 0.00 C ATOM 522 ND1 HIS A 40 -10.976 5.117 1.252 1.00 0.00 N flip ATOM 523 CD2 HIS A 40 -10.547 5.753 -0.792 1.00 0.00 C flip ATOM 524 CE1 HIS A 40 -11.807 4.469 0.372 1.00 0.00 C flip ATOM 525 NE2 HIS A 40 -11.528 4.871 -0.855 1.00 0.00 N flip ATOM 0 H HIS A 40 -7.504 4.137 1.680 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.298 5.877 0.298 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.409 7.408 1.839 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.934 7.611 0.165 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.104 6.256 -1.639 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.565 3.748 0.639 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.992 4.554 -1.707 1.00 0.00 H new ATOM 534 N ASN A 41 -5.796 6.571 2.607 1.00 0.00 N ATOM 535 CA ASN A 41 -4.824 7.375 3.339 1.00 0.00 C ATOM 536 C ASN A 41 -3.481 7.397 2.615 1.00 0.00 C ATOM 537 O ASN A 41 -3.107 6.432 1.946 1.00 0.00 O ATOM 538 CB ASN A 41 -4.642 6.828 4.756 1.00 0.00 C ATOM 539 CG ASN A 41 -5.877 7.025 5.614 1.00 0.00 C ATOM 540 OD1 ASN A 41 -6.946 6.491 5.316 1.00 0.00 O ATOM 541 ND2 ASN A 41 -5.735 7.795 6.687 1.00 0.00 N ATOM 0 H ASN A 41 -5.621 5.567 2.637 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.203 8.395 3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.404 5.766 4.705 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.793 7.323 5.227 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.531 7.964 7.302 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.830 8.217 6.896 1.00 0.00 H new ATOM 548 N LEU A 42 -2.760 8.504 2.752 1.00 0.00 N ATOM 549 CA LEU A 42 -1.457 8.653 2.112 1.00 0.00 C ATOM 550 C LEU A 42 -0.357 8.029 2.964 1.00 0.00 C ATOM 551 O LEU A 42 -0.232 8.331 4.152 1.00 0.00 O ATOM 552 CB LEU A 42 -1.153 10.132 1.868 1.00 0.00 C ATOM 553 CG LEU A 42 -1.997 10.823 0.796 1.00 0.00 C ATOM 554 CD1 LEU A 42 -1.606 12.287 0.670 1.00 0.00 C ATOM 555 CD2 LEU A 42 -1.847 10.112 -0.541 1.00 0.00 C ATOM 0 H LEU A 42 -3.055 9.312 3.300 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.488 8.132 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.284 10.669 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.103 10.226 1.591 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.044 10.773 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.217 12.762 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.766 12.790 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.554 12.360 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.454 10.617 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.801 10.131 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.178 9.078 -0.442 1.00 0.00 H new ATOM 567 N TYR A 43 0.439 7.161 2.351 1.00 0.00 N ATOM 568 CA TYR A 43 1.530 6.495 3.053 1.00 0.00 C ATOM 569 C TYR A 43 2.814 6.536 2.230 1.00 0.00 C ATOM 570 O TYR A 43 2.875 5.995 1.126 1.00 0.00 O ATOM 571 CB TYR A 43 1.155 5.045 3.362 1.00 0.00 C ATOM 572 CG TYR A 43 0.332 4.887 4.621 1.00 0.00 C ATOM 573 CD1 TYR A 43 0.944 4.745 5.860 1.00 0.00 C ATOM 574 CD2 TYR A 43 -1.056 4.878 4.571 1.00 0.00 C ATOM 575 CE1 TYR A 43 0.197 4.599 7.013 1.00 0.00 C ATOM 576 CE2 TYR A 43 -1.811 4.734 5.719 1.00 0.00 C ATOM 577 CZ TYR A 43 -1.180 4.595 6.937 1.00 0.00 C ATOM 578 OH TYR A 43 -1.929 4.451 8.083 1.00 0.00 O ATOM 0 H TYR A 43 0.349 6.902 1.369 1.00 0.00 H new ATOM 0 HA TYR A 43 1.703 7.026 3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.597 4.635 2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.067 4.455 3.458 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.022 4.749 5.923 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.554 4.985 3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.689 4.489 7.968 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.890 4.730 5.663 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.882 4.470 7.855 1.00 0.00 H new ATOM 588 N HIS A 44 3.839 7.183 2.777 1.00 0.00 N ATOM 589 CA HIS A 44 5.123 7.294 2.095 1.00 0.00 C ATOM 590 C HIS A 44 5.738 5.917 1.865 1.00 0.00 C ATOM 591 O HIS A 44 5.879 5.127 2.798 1.00 0.00 O ATOM 592 CB HIS A 44 6.083 8.164 2.909 1.00 0.00 C ATOM 593 CG HIS A 44 6.115 9.595 2.468 1.00 0.00 C ATOM 594 ND1 HIS A 44 5.711 10.639 3.272 1.00 0.00 N ATOM 595 CD2 HIS A 44 6.508 10.152 1.298 1.00 0.00 C ATOM 596 CE1 HIS A 44 5.852 11.777 2.615 1.00 0.00 C ATOM 597 NE2 HIS A 44 6.335 11.509 1.416 1.00 0.00 N ATOM 0 H HIS A 44 3.805 7.638 3.689 1.00 0.00 H new ATOM 0 HA HIS A 44 4.952 7.762 1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.796 8.123 3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 44 7.088 7.748 2.837 1.00 0.00 H new ATOM 0 HD2 HIS A 44 6.887 9.627 0.434 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.613 12.759 2.995 1.00 0.00 H new ATOM 0 HE2 HIS A 44 6.546 12.198 0.694 1.00 0.00 H new ATOM 605 N GLN A 45 6.099 5.637 0.617 1.00 0.00 N ATOM 606 CA GLN A 45 6.697 4.354 0.265 1.00 0.00 C ATOM 607 C GLN A 45 7.618 3.860 1.375 1.00 0.00 C ATOM 608 O GLN A 45 7.796 2.655 1.557 1.00 0.00 O ATOM 609 CB GLN A 45 7.477 4.474 -1.046 1.00 0.00 C ATOM 610 CG GLN A 45 6.589 4.546 -2.278 1.00 0.00 C ATOM 611 CD GLN A 45 7.375 4.804 -3.548 1.00 0.00 C ATOM 612 OE1 GLN A 45 6.816 5.220 -4.564 1.00 0.00 O ATOM 613 NE2 GLN A 45 8.679 4.557 -3.499 1.00 0.00 N ATOM 0 H GLN A 45 5.988 6.280 -0.167 1.00 0.00 H new ATOM 0 HA GLN A 45 5.893 3.630 0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.102 5.366 -1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.146 3.619 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.038 3.611 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.852 5.337 -2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.101 4.213 -2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.259 4.711 -4.324 1.00 0.00 H new ATOM 622 N ASP A 46 8.201 4.797 2.115 1.00 0.00 N ATOM 623 CA ASP A 46 9.103 4.456 3.208 1.00 0.00 C ATOM 624 C ASP A 46 8.349 4.378 4.532 1.00 0.00 C ATOM 625 O ASP A 46 8.264 3.316 5.149 1.00 0.00 O ATOM 626 CB ASP A 46 10.229 5.486 3.309 1.00 0.00 C ATOM 627 CG ASP A 46 10.957 5.421 4.637 1.00 0.00 C ATOM 628 OD1 ASP A 46 11.686 4.432 4.866 1.00 0.00 O ATOM 629 OD2 ASP A 46 10.799 6.358 5.447 1.00 0.00 O ATOM 0 H ASP A 46 8.065 5.798 1.977 1.00 0.00 H new ATOM 0 HA ASP A 46 9.534 3.477 2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.941 5.322 2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.816 6.486 3.173 1.00 0.00 H new ATOM 634 N CYS A 47 7.802 5.510 4.962 1.00 0.00 N ATOM 635 CA CYS A 47 7.055 5.572 6.213 1.00 0.00 C ATOM 636 C CYS A 47 6.251 4.293 6.431 1.00 0.00 C ATOM 637 O CYS A 47 6.155 3.790 7.550 1.00 0.00 O ATOM 638 CB CYS A 47 6.119 6.782 6.213 1.00 0.00 C ATOM 639 SG CYS A 47 6.979 8.388 6.263 1.00 0.00 S ATOM 0 H CYS A 47 7.862 6.397 4.462 1.00 0.00 H new ATOM 0 HA CYS A 47 7.770 5.674 7.029 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.494 6.744 5.321 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.452 6.712 7.072 1.00 0.00 H new ATOM 644 N HIS A 48 5.676 3.772 5.352 1.00 0.00 N ATOM 645 CA HIS A 48 4.881 2.551 5.424 1.00 0.00 C ATOM 646 C HIS A 48 5.736 1.372 5.876 1.00 0.00 C ATOM 647 O HIS A 48 6.964 1.414 5.795 1.00 0.00 O ATOM 648 CB HIS A 48 4.250 2.247 4.064 1.00 0.00 C ATOM 649 CG HIS A 48 2.936 1.535 4.160 1.00 0.00 C ATOM 650 ND1 HIS A 48 2.615 0.440 3.386 1.00 0.00 N ATOM 651 CD2 HIS A 48 1.858 1.767 4.946 1.00 0.00 C ATOM 652 CE1 HIS A 48 1.397 0.030 3.690 1.00 0.00 C ATOM 653 NE2 HIS A 48 0.916 0.818 4.635 1.00 0.00 N ATOM 0 H HIS A 48 5.745 4.176 4.418 1.00 0.00 H new ATOM 0 HA HIS A 48 4.089 2.705 6.157 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.109 3.182 3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.941 1.640 3.479 1.00 0.00 H new ATOM 0 HD1 HIS A 48 3.223 0.013 2.687 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.758 2.552 5.681 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.882 -0.807 3.242 1.00 0.00 H new ATOM 662 N LYS A 49 5.080 0.320 6.353 1.00 0.00 N ATOM 663 CA LYS A 49 5.779 -0.872 6.818 1.00 0.00 C ATOM 664 C LYS A 49 6.520 -1.551 5.671 1.00 0.00 C ATOM 665 O LYS A 49 7.750 -1.585 5.628 1.00 0.00 O ATOM 666 CB LYS A 49 4.790 -1.854 7.452 1.00 0.00 C ATOM 667 CG LYS A 49 4.711 -1.744 8.965 1.00 0.00 C ATOM 668 CD LYS A 49 5.997 -2.212 9.626 1.00 0.00 C ATOM 669 CE LYS A 49 5.969 -3.707 9.905 1.00 0.00 C ATOM 670 NZ LYS A 49 6.787 -4.064 11.097 1.00 0.00 N ATOM 0 H LYS A 49 4.064 0.269 6.428 1.00 0.00 H new ATOM 0 HA LYS A 49 6.509 -0.565 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.799 -1.682 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.078 -2.871 7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.512 -0.710 9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.875 -2.340 9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.845 -1.977 8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.146 -1.669 10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.939 -4.028 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.342 -4.246 9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.742 -5.091 11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.775 -3.781 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.416 -3.570 11.933 1.00 0.00 H new ATOM 684 N PRO A 50 5.756 -2.104 4.717 1.00 0.00 N ATOM 685 CA PRO A 50 6.319 -2.790 3.550 1.00 0.00 C ATOM 686 C PRO A 50 7.000 -1.827 2.584 1.00 0.00 C ATOM 687 O PRO A 50 6.339 -1.021 1.929 1.00 0.00 O ATOM 688 CB PRO A 50 5.096 -3.432 2.892 1.00 0.00 C ATOM 689 CG PRO A 50 3.947 -2.587 3.321 1.00 0.00 C ATOM 690 CD PRO A 50 4.283 -2.101 4.703 1.00 0.00 C ATOM 0 HA PRO A 50 7.093 -3.504 3.831 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.193 -3.447 1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.970 -4.465 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.802 -1.750 2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.020 -3.161 3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.881 -1.105 4.887 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.872 -2.757 5.471 1.00 0.00 H new ATOM 698 N GLN A 51 8.323 -1.917 2.500 1.00 0.00 N ATOM 699 CA GLN A 51 9.092 -1.052 1.613 1.00 0.00 C ATOM 700 C GLN A 51 8.485 -1.029 0.214 1.00 0.00 C ATOM 701 O GLN A 51 8.681 -1.954 -0.574 1.00 0.00 O ATOM 702 CB GLN A 51 10.546 -1.521 1.543 1.00 0.00 C ATOM 703 CG GLN A 51 11.432 -0.923 2.625 1.00 0.00 C ATOM 704 CD GLN A 51 12.636 -1.788 2.938 1.00 0.00 C ATOM 705 OE1 GLN A 51 12.841 -2.834 2.321 1.00 0.00 O ATOM 706 NE2 GLN A 51 13.442 -1.356 3.901 1.00 0.00 N ATOM 0 H GLN A 51 8.885 -2.580 3.035 1.00 0.00 H new ATOM 0 HA GLN A 51 9.063 -0.041 2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.573 -2.608 1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.955 -1.263 0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.771 0.063 2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.845 -0.782 3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.234 -0.483 4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 51 14.269 -1.897 4.155 1.00 0.00 H new ATOM 715 N VAL A 52 7.747 0.034 -0.088 1.00 0.00 N ATOM 716 CA VAL A 52 7.111 0.178 -1.392 1.00 0.00 C ATOM 717 C VAL A 52 8.083 0.754 -2.416 1.00 0.00 C ATOM 718 O VAL A 52 8.832 1.687 -2.123 1.00 0.00 O ATOM 719 CB VAL A 52 5.868 1.084 -1.314 1.00 0.00 C ATOM 720 CG1 VAL A 52 5.139 1.107 -2.649 1.00 0.00 C ATOM 721 CG2 VAL A 52 4.942 0.622 -0.199 1.00 0.00 C ATOM 0 H VAL A 52 7.575 0.809 0.553 1.00 0.00 H new ATOM 0 HA VAL A 52 6.804 -0.820 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 52 6.193 2.099 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.264 1.752 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.806 1.489 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.824 0.096 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.069 1.273 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.622 -0.402 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.470 0.663 0.753 1.00 0.00 H new ATOM 731 N THR A 53 8.065 0.194 -3.622 1.00 0.00 N ATOM 732 CA THR A 53 8.945 0.651 -4.690 1.00 0.00 C ATOM 733 C THR A 53 8.193 1.531 -5.682 1.00 0.00 C ATOM 734 O THR A 53 6.995 1.769 -5.532 1.00 0.00 O ATOM 735 CB THR A 53 9.573 -0.535 -5.447 1.00 0.00 C ATOM 736 OG1 THR A 53 8.549 -1.306 -6.085 1.00 0.00 O ATOM 737 CG2 THR A 53 10.366 -1.422 -4.499 1.00 0.00 C ATOM 0 H THR A 53 7.450 -0.577 -3.883 1.00 0.00 H new ATOM 0 HA THR A 53 9.738 1.233 -4.220 1.00 0.00 H new ATOM 0 HB THR A 53 10.252 -0.138 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.956 -2.057 -6.565 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.800 -2.253 -5.055 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.163 -0.839 -4.036 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.704 -1.810 -3.725 1.00 0.00 H new ATOM 745 N ASP A 54 8.904 2.012 -6.696 1.00 0.00 N ATOM 746 CA ASP A 54 8.304 2.865 -7.714 1.00 0.00 C ATOM 747 C ASP A 54 7.399 2.055 -8.638 1.00 0.00 C ATOM 748 O ASP A 54 6.255 2.433 -8.892 1.00 0.00 O ATOM 749 CB ASP A 54 9.392 3.564 -8.531 1.00 0.00 C ATOM 750 CG ASP A 54 10.513 2.623 -8.927 1.00 0.00 C ATOM 751 OD1 ASP A 54 11.205 2.112 -8.022 1.00 0.00 O ATOM 752 OD2 ASP A 54 10.699 2.399 -10.142 1.00 0.00 O ATOM 0 H ASP A 54 9.897 1.825 -6.834 1.00 0.00 H new ATOM 0 HA ASP A 54 7.698 3.618 -7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.948 3.994 -9.429 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.803 4.391 -7.951 1.00 0.00 H new ATOM 757 N LYS A 55 7.919 0.939 -9.137 1.00 0.00 N ATOM 758 CA LYS A 55 7.159 0.074 -10.032 1.00 0.00 C ATOM 759 C LYS A 55 5.701 -0.014 -9.595 1.00 0.00 C ATOM 760 O LYS A 55 4.800 -0.123 -10.427 1.00 0.00 O ATOM 761 CB LYS A 55 7.777 -1.325 -10.069 1.00 0.00 C ATOM 762 CG LYS A 55 7.592 -2.037 -11.398 1.00 0.00 C ATOM 763 CD LYS A 55 7.542 -3.546 -11.220 1.00 0.00 C ATOM 764 CE LYS A 55 8.930 -4.163 -11.301 1.00 0.00 C ATOM 765 NZ LYS A 55 9.644 -4.095 -9.995 1.00 0.00 N ATOM 0 H LYS A 55 8.864 0.612 -8.937 1.00 0.00 H new ATOM 0 HA LYS A 55 7.195 0.507 -11.032 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.843 -1.248 -9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.334 -1.930 -9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.671 -1.695 -11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.410 -1.776 -12.069 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.092 -3.785 -10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.903 -3.983 -11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.847 -5.203 -11.616 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.514 -3.645 -12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.482 -4.710 -10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.940 -3.115 -9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.009 -4.412 -9.235 1.00 0.00 H new ATOM 779 N GLU A 56 5.476 0.035 -8.286 1.00 0.00 N ATOM 780 CA GLU A 56 4.125 -0.039 -7.740 1.00 0.00 C ATOM 781 C GLU A 56 3.360 1.255 -8.005 1.00 0.00 C ATOM 782 O GLU A 56 2.455 1.294 -8.839 1.00 0.00 O ATOM 783 CB GLU A 56 4.174 -0.317 -6.237 1.00 0.00 C ATOM 784 CG GLU A 56 4.400 -1.780 -5.895 1.00 0.00 C ATOM 785 CD GLU A 56 3.457 -2.706 -6.639 1.00 0.00 C ATOM 786 OE1 GLU A 56 3.789 -3.106 -7.774 1.00 0.00 O ATOM 787 OE2 GLU A 56 2.386 -3.030 -6.084 1.00 0.00 O ATOM 0 H GLU A 56 6.211 0.126 -7.584 1.00 0.00 H new ATOM 0 HA GLU A 56 3.603 -0.857 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.971 0.279 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.239 0.013 -5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.429 -2.050 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.272 -1.922 -4.822 1.00 0.00 H new ATOM 794 N VAL A 57 3.730 2.311 -7.288 1.00 0.00 N ATOM 795 CA VAL A 57 3.080 3.607 -7.445 1.00 0.00 C ATOM 796 C VAL A 57 2.926 3.970 -8.918 1.00 0.00 C ATOM 797 O VAL A 57 2.029 4.725 -9.291 1.00 0.00 O ATOM 798 CB VAL A 57 3.869 4.721 -6.733 1.00 0.00 C ATOM 799 CG1 VAL A 57 4.098 4.363 -5.272 1.00 0.00 C ATOM 800 CG2 VAL A 57 5.191 4.973 -7.442 1.00 0.00 C ATOM 0 H VAL A 57 4.476 2.295 -6.593 1.00 0.00 H new ATOM 0 HA VAL A 57 2.093 3.523 -6.989 1.00 0.00 H new ATOM 0 HB VAL A 57 3.282 5.639 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.657 5.162 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.137 4.237 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.664 3.434 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.736 5.763 -6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.786 4.060 -7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.000 5.277 -8.471 1.00 0.00 H new ATOM 810 N ASN A 58 3.807 3.426 -9.751 1.00 0.00 N ATOM 811 CA ASN A 58 3.769 3.693 -11.184 1.00 0.00 C ATOM 812 C ASN A 58 2.490 3.141 -11.807 1.00 0.00 C ATOM 813 O ASN A 58 1.784 3.846 -12.528 1.00 0.00 O ATOM 814 CB ASN A 58 4.990 3.077 -11.871 1.00 0.00 C ATOM 815 CG ASN A 58 6.222 3.954 -11.755 1.00 0.00 C ATOM 816 OD1 ASN A 58 7.341 3.354 -11.367 1.00 0.00 O flip ATOM 817 ND2 ASN A 58 6.167 5.157 -12.011 1.00 0.00 N flip ATOM 0 H ASN A 58 4.556 2.798 -9.459 1.00 0.00 H new ATOM 0 HA ASN A 58 3.785 4.773 -11.327 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.198 2.102 -11.430 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.765 2.909 -12.924 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.285 5.576 -12.306 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.003 5.735 -11.928 1.00 0.00 H new ATOM 824 N ASP A 59 2.198 1.877 -11.522 1.00 0.00 N ATOM 825 CA ASP A 59 1.003 1.231 -12.052 1.00 0.00 C ATOM 826 C ASP A 59 -0.257 1.958 -11.594 1.00 0.00 C ATOM 827 O ASP A 59 -0.625 1.935 -10.419 1.00 0.00 O ATOM 828 CB ASP A 59 0.950 -0.233 -11.610 1.00 0.00 C ATOM 829 CG ASP A 59 0.075 -1.079 -12.514 1.00 0.00 C ATOM 830 OD1 ASP A 59 -0.036 -0.748 -13.713 1.00 0.00 O ATOM 831 OD2 ASP A 59 -0.499 -2.073 -12.022 1.00 0.00 O ATOM 0 H ASP A 59 2.772 1.279 -10.927 1.00 0.00 H new ATOM 0 HA ASP A 59 1.050 1.273 -13.140 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.960 -0.643 -11.599 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.573 -0.288 -10.589 1.00 0.00 H new ATOM 836 N PRO A 60 -0.935 2.622 -12.542 1.00 0.00 N ATOM 837 CA PRO A 60 -2.164 3.370 -12.259 1.00 0.00 C ATOM 838 C PRO A 60 -3.336 2.454 -11.924 1.00 0.00 C ATOM 839 O PRO A 60 -4.157 2.771 -11.063 1.00 0.00 O ATOM 840 CB PRO A 60 -2.430 4.122 -13.566 1.00 0.00 C ATOM 841 CG PRO A 60 -1.764 3.303 -14.617 1.00 0.00 C ATOM 842 CD PRO A 60 -0.555 2.693 -13.963 1.00 0.00 C ATOM 0 HA PRO A 60 -2.055 4.020 -11.391 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.499 4.218 -13.757 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.020 5.132 -13.532 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.435 2.531 -14.994 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.477 3.920 -15.469 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.333 1.706 -14.369 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.334 3.306 -14.111 1.00 0.00 H new ATOM 850 N ARG A 61 -3.408 1.318 -12.610 1.00 0.00 N ATOM 851 CA ARG A 61 -4.480 0.356 -12.385 1.00 0.00 C ATOM 852 C ARG A 61 -4.099 -0.637 -11.291 1.00 0.00 C ATOM 853 O ARG A 61 -4.549 -1.784 -11.295 1.00 0.00 O ATOM 854 CB ARG A 61 -4.803 -0.393 -13.679 1.00 0.00 C ATOM 855 CG ARG A 61 -5.153 0.523 -14.841 1.00 0.00 C ATOM 856 CD ARG A 61 -6.024 -0.187 -15.866 1.00 0.00 C ATOM 857 NE ARG A 61 -6.670 0.752 -16.779 1.00 0.00 N ATOM 858 CZ ARG A 61 -7.743 0.453 -17.503 1.00 0.00 C ATOM 859 NH1 ARG A 61 -8.287 -0.753 -17.420 1.00 0.00 N ATOM 860 NH2 ARG A 61 -8.273 1.362 -18.312 1.00 0.00 N ATOM 0 H ARG A 61 -2.737 1.041 -13.326 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.364 0.905 -12.061 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.947 -1.008 -13.957 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.637 -1.071 -13.498 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.674 1.404 -14.467 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.238 0.872 -15.319 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.414 -0.887 -16.437 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.785 -0.774 -15.351 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.276 1.689 -16.866 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.882 -1.454 -16.799 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.111 -0.980 -17.977 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.856 2.291 -18.378 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.097 1.132 -18.868 1.00 0.00 H new ATOM 874 N LEU A 62 -3.268 -0.190 -10.357 1.00 0.00 N ATOM 875 CA LEU A 62 -2.826 -1.040 -9.256 1.00 0.00 C ATOM 876 C LEU A 62 -3.530 -0.660 -7.958 1.00 0.00 C ATOM 877 O LEU A 62 -3.575 0.512 -7.584 1.00 0.00 O ATOM 878 CB LEU A 62 -1.310 -0.930 -9.079 1.00 0.00 C ATOM 879 CG LEU A 62 -0.755 -1.410 -7.737 1.00 0.00 C ATOM 880 CD1 LEU A 62 -0.410 -2.890 -7.801 1.00 0.00 C ATOM 881 CD2 LEU A 62 0.466 -0.593 -7.342 1.00 0.00 C ATOM 0 H LEU A 62 -2.886 0.756 -10.339 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.084 -2.071 -9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.829 -1.501 -9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.023 0.112 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.523 -1.269 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.017 -3.214 -6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.307 -3.463 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.341 -3.055 -8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.847 -0.948 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.238 -0.702 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.188 0.457 -7.254 1.00 0.00 H new ATOM 893 N VAL A 63 -4.077 -1.659 -7.273 1.00 0.00 N ATOM 894 CA VAL A 63 -4.777 -1.431 -6.014 1.00 0.00 C ATOM 895 C VAL A 63 -3.829 -1.564 -4.827 1.00 0.00 C ATOM 896 O VAL A 63 -3.412 -2.667 -4.474 1.00 0.00 O ATOM 897 CB VAL A 63 -5.947 -2.416 -5.836 1.00 0.00 C ATOM 898 CG1 VAL A 63 -6.615 -2.213 -4.484 1.00 0.00 C ATOM 899 CG2 VAL A 63 -6.953 -2.257 -6.966 1.00 0.00 C ATOM 0 H VAL A 63 -4.049 -2.635 -7.569 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.170 -0.415 -6.049 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.553 -3.432 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.439 -2.918 -4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.888 -2.381 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.997 -1.194 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.773 -2.961 -6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.344 -1.239 -6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.464 -2.457 -7.919 1.00 0.00 H new ATOM 909 N TRP A 64 -3.494 -0.434 -4.215 1.00 0.00 N ATOM 910 CA TRP A 64 -2.596 -0.425 -3.066 1.00 0.00 C ATOM 911 C TRP A 64 -3.382 -0.459 -1.760 1.00 0.00 C ATOM 912 O TRP A 64 -4.509 0.032 -1.690 1.00 0.00 O ATOM 913 CB TRP A 64 -1.699 0.814 -3.104 1.00 0.00 C ATOM 914 CG TRP A 64 -0.523 0.725 -2.179 1.00 0.00 C ATOM 915 CD1 TRP A 64 0.626 0.015 -2.381 1.00 0.00 C ATOM 916 CD2 TRP A 64 -0.384 1.365 -0.906 1.00 0.00 C ATOM 917 NE1 TRP A 64 1.472 0.177 -1.310 1.00 0.00 N ATOM 918 CE2 TRP A 64 0.876 1.001 -0.393 1.00 0.00 C ATOM 919 CE3 TRP A 64 -1.199 2.212 -0.152 1.00 0.00 C ATOM 920 CZ2 TRP A 64 1.336 1.454 0.841 1.00 0.00 C ATOM 921 CZ3 TRP A 64 -0.741 2.661 1.072 1.00 0.00 C ATOM 922 CH2 TRP A 64 0.517 2.282 1.558 1.00 0.00 C ATOM 0 H TRP A 64 -3.830 0.487 -4.495 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.973 -1.318 -3.116 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -1.340 0.963 -4.123 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.292 1.691 -2.843 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.838 -0.585 -3.253 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.394 -0.248 -1.214 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.170 2.511 -0.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.305 1.162 1.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.364 3.315 1.664 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.847 2.651 2.518 1.00 0.00 H new ATOM 933 N TYR A 65 -2.781 -1.040 -0.728 1.00 0.00 N ATOM 934 CA TYR A 65 -3.427 -1.140 0.575 1.00 0.00 C ATOM 935 C TYR A 65 -2.426 -0.888 1.699 1.00 0.00 C ATOM 936 O TYR A 65 -1.258 -1.267 1.604 1.00 0.00 O ATOM 937 CB TYR A 65 -4.068 -2.518 0.747 1.00 0.00 C ATOM 938 CG TYR A 65 -5.347 -2.693 -0.040 1.00 0.00 C ATOM 939 CD1 TYR A 65 -6.338 -1.719 -0.018 1.00 0.00 C ATOM 940 CD2 TYR A 65 -5.564 -3.831 -0.806 1.00 0.00 C ATOM 941 CE1 TYR A 65 -7.509 -1.875 -0.734 1.00 0.00 C ATOM 942 CE2 TYR A 65 -6.731 -3.995 -1.527 1.00 0.00 C ATOM 943 CZ TYR A 65 -7.701 -3.015 -1.488 1.00 0.00 C ATOM 944 OH TYR A 65 -8.865 -3.173 -2.204 1.00 0.00 O ATOM 0 H TYR A 65 -1.847 -1.449 -0.768 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.204 -0.377 0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.354 -3.282 0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.276 -2.683 1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.190 -0.825 0.569 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.807 -4.601 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.270 -1.109 -0.704 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.883 -4.886 -2.118 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.842 -4.029 -2.681 1.00 0.00 H new ATOM 954 N CYS A 66 -2.893 -0.247 2.766 1.00 0.00 N ATOM 955 CA CYS A 66 -2.042 0.056 3.910 1.00 0.00 C ATOM 956 C CYS A 66 -2.204 -0.997 5.003 1.00 0.00 C ATOM 957 O CYS A 66 -3.309 -1.474 5.260 1.00 0.00 O ATOM 958 CB CYS A 66 -2.375 1.441 4.467 1.00 0.00 C ATOM 959 SG CYS A 66 -4.031 1.562 5.218 1.00 0.00 S ATOM 0 H CYS A 66 -3.857 0.073 2.862 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.006 0.047 3.573 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.628 1.709 5.214 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.298 2.173 3.663 1.00 0.00 H new ATOM 964 N ALA A 67 -1.095 -1.354 5.642 1.00 0.00 N ATOM 965 CA ALA A 67 -1.115 -2.348 6.709 1.00 0.00 C ATOM 966 C ALA A 67 -2.448 -2.333 7.449 1.00 0.00 C ATOM 967 O ALA A 67 -3.117 -3.360 7.561 1.00 0.00 O ATOM 968 CB ALA A 67 0.032 -2.103 7.678 1.00 0.00 C ATOM 0 H ALA A 67 -0.172 -0.970 5.440 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.992 -3.333 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.006 -2.852 8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.980 -2.172 7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.067 -1.109 8.115 1.00 0.00 H new ATOM 974 N ARG A 68 -2.827 -1.163 7.952 1.00 0.00 N ATOM 975 CA ARG A 68 -4.080 -1.016 8.683 1.00 0.00 C ATOM 976 C ARG A 68 -5.159 -1.924 8.101 1.00 0.00 C ATOM 977 O ARG A 68 -5.784 -2.704 8.820 1.00 0.00 O ATOM 978 CB ARG A 68 -4.549 0.440 8.646 1.00 0.00 C ATOM 979 CG ARG A 68 -4.042 1.273 9.811 1.00 0.00 C ATOM 980 CD ARG A 68 -4.861 1.030 11.069 1.00 0.00 C ATOM 981 NE ARG A 68 -6.060 1.863 11.110 1.00 0.00 N ATOM 982 CZ ARG A 68 -7.243 1.473 10.649 1.00 0.00 C ATOM 983 NH1 ARG A 68 -7.385 0.268 10.114 1.00 0.00 N ATOM 984 NH2 ARG A 68 -8.287 2.289 10.722 1.00 0.00 N ATOM 0 H ARG A 68 -2.285 -0.303 7.867 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.904 -1.308 9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.218 0.896 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.639 0.462 8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.997 1.032 10.004 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.082 2.330 9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.147 -0.021 11.118 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.247 1.234 11.946 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.985 2.796 11.515 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.585 -0.362 10.056 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.295 -0.029 9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.181 3.217 11.132 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.195 1.988 10.368 1.00 0.00 H new ATOM 998 N CYS A 69 -5.374 -1.817 6.794 1.00 0.00 N ATOM 999 CA CYS A 69 -6.377 -2.627 6.114 1.00 0.00 C ATOM 1000 C CYS A 69 -5.802 -3.982 5.713 1.00 0.00 C ATOM 1001 O CYS A 69 -6.393 -5.027 5.987 1.00 0.00 O ATOM 1002 CB CYS A 69 -6.900 -1.896 4.876 1.00 0.00 C ATOM 1003 SG CYS A 69 -5.601 -1.407 3.697 1.00 0.00 S ATOM 0 H CYS A 69 -4.866 -1.176 6.184 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.203 -2.793 6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.617 -2.538 4.364 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.441 -1.005 5.195 1.00 0.00 H new ATOM 1008 N THR A 70 -4.644 -3.957 5.060 1.00 0.00 N ATOM 1009 CA THR A 70 -3.988 -5.182 4.619 1.00 0.00 C ATOM 1010 C THR A 70 -4.147 -6.292 5.652 1.00 0.00 C ATOM 1011 O THR A 70 -4.627 -7.381 5.337 1.00 0.00 O ATOM 1012 CB THR A 70 -2.488 -4.953 4.355 1.00 0.00 C ATOM 1013 OG1 THR A 70 -2.315 -3.914 3.385 1.00 0.00 O ATOM 1014 CG2 THR A 70 -1.824 -6.229 3.863 1.00 0.00 C ATOM 0 H THR A 70 -4.141 -3.101 4.825 1.00 0.00 H new ATOM 0 HA THR A 70 -4.471 -5.482 3.689 1.00 0.00 H new ATOM 0 HB THR A 70 -2.018 -4.656 5.292 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.359 -3.773 3.224 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.765 -6.042 3.683 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.932 -7.009 4.616 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.298 -6.552 2.936 1.00 0.00 H new ATOM 1022 N ARG A 71 -3.741 -6.009 6.885 1.00 0.00 N ATOM 1023 CA ARG A 71 -3.838 -6.985 7.964 1.00 0.00 C ATOM 1024 C ARG A 71 -5.255 -7.543 8.067 1.00 0.00 C ATOM 1025 O ARG A 71 -5.447 -8.730 8.326 1.00 0.00 O ATOM 1026 CB ARG A 71 -3.431 -6.349 9.294 1.00 0.00 C ATOM 1027 CG ARG A 71 -4.393 -5.275 9.775 1.00 0.00 C ATOM 1028 CD ARG A 71 -4.039 -4.796 11.174 1.00 0.00 C ATOM 1029 NE ARG A 71 -2.900 -3.882 11.169 1.00 0.00 N ATOM 1030 CZ ARG A 71 -1.634 -4.285 11.181 1.00 0.00 C ATOM 1031 NH1 ARG A 71 -1.348 -5.580 11.199 1.00 0.00 N ATOM 1032 NH2 ARG A 71 -0.653 -3.393 11.174 1.00 0.00 N ATOM 0 H ARG A 71 -3.342 -5.112 7.162 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.158 -7.807 7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.360 -7.128 10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.437 -5.914 9.190 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.373 -4.432 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.410 -5.667 9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.902 -4.297 11.615 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.811 -5.656 11.804 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.087 -2.879 11.156 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.101 -6.268 11.204 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.375 -5.887 11.208 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.870 -2.396 11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.319 -3.703 11.183 1.00 0.00 H new ATOM 1046 N GLN A 72 -6.242 -6.677 7.863 1.00 0.00 N ATOM 1047 CA GLN A 72 -7.641 -7.083 7.934 1.00 0.00 C ATOM 1048 C GLN A 72 -7.998 -8.013 6.778 1.00 0.00 C ATOM 1049 O GLN A 72 -8.778 -8.950 6.941 1.00 0.00 O ATOM 1050 CB GLN A 72 -8.552 -5.855 7.916 1.00 0.00 C ATOM 1051 CG GLN A 72 -8.433 -4.990 9.160 1.00 0.00 C ATOM 1052 CD GLN A 72 -9.460 -3.877 9.199 1.00 0.00 C ATOM 1053 OE1 GLN A 72 -9.187 -2.749 8.786 1.00 0.00 O ATOM 1054 NE2 GLN A 72 -10.652 -4.187 9.695 1.00 0.00 N ATOM 0 H GLN A 72 -6.099 -5.690 7.647 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.789 -7.623 8.869 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.316 -5.251 7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.586 -6.182 7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.548 -5.616 10.045 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.433 -4.558 9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.836 -5.134 10.026 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.384 -3.478 9.745 1.00 0.00 H new ATOM 1063 N MET A 73 -7.420 -7.746 5.611 1.00 0.00 N ATOM 1064 CA MET A 73 -7.677 -8.560 4.429 1.00 0.00 C ATOM 1065 C MET A 73 -6.848 -9.840 4.459 1.00 0.00 C ATOM 1066 O MET A 73 -7.231 -10.854 3.875 1.00 0.00 O ATOM 1067 CB MET A 73 -7.363 -7.765 3.159 1.00 0.00 C ATOM 1068 CG MET A 73 -8.153 -6.472 3.041 1.00 0.00 C ATOM 1069 SD MET A 73 -8.359 -5.937 1.331 1.00 0.00 S ATOM 1070 CE MET A 73 -8.179 -4.164 1.507 1.00 0.00 C ATOM 0 H MET A 73 -6.772 -6.973 5.459 1.00 0.00 H new ATOM 0 HA MET A 73 -8.732 -8.832 4.428 1.00 0.00 H new ATOM 0 HB2 MET A 73 -6.298 -7.534 3.139 1.00 0.00 H new ATOM 0 HB3 MET A 73 -7.570 -8.389 2.289 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.134 -6.608 3.496 1.00 0.00 H new ATOM 0 HG3 MET A 73 -7.646 -5.688 3.604 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.726 -3.662 0.709 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.577 -3.852 2.473 1.00 0.00 H new ATOM 0 HE3 MET A 73 -7.124 -3.898 1.446 1.00 0.00 H new ATOM 1080 N LYS A 74 -5.710 -9.787 5.143 1.00 0.00 N ATOM 1081 CA LYS A 74 -4.827 -10.942 5.251 1.00 0.00 C ATOM 1082 C LYS A 74 -5.631 -12.229 5.405 1.00 0.00 C ATOM 1083 O LYS A 74 -6.706 -12.233 6.006 1.00 0.00 O ATOM 1084 CB LYS A 74 -3.879 -10.775 6.440 1.00 0.00 C ATOM 1085 CG LYS A 74 -2.764 -9.773 6.194 1.00 0.00 C ATOM 1086 CD LYS A 74 -1.778 -10.280 5.155 1.00 0.00 C ATOM 1087 CE LYS A 74 -0.586 -10.965 5.805 1.00 0.00 C ATOM 1088 NZ LYS A 74 0.124 -10.061 6.752 1.00 0.00 N ATOM 0 H LYS A 74 -5.377 -8.955 5.631 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.242 -11.008 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.454 -10.459 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.439 -11.743 6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.191 -8.827 5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.239 -9.574 7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.280 -10.979 4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.431 -9.447 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.924 -11.855 6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.107 -11.299 5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.147 -10.097 6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.217 -9.087 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.061 -10.367 7.729 1.00 0.00 H new ATOM 1102 N ARG A 75 -5.103 -13.320 4.859 1.00 0.00 N ATOM 1103 CA ARG A 75 -5.772 -14.613 4.937 1.00 0.00 C ATOM 1104 C ARG A 75 -5.833 -15.108 6.379 1.00 0.00 C ATOM 1105 O ARG A 75 -6.756 -15.827 6.760 1.00 0.00 O ATOM 1106 CB ARG A 75 -5.047 -15.639 4.064 1.00 0.00 C ATOM 1107 CG ARG A 75 -3.583 -15.824 4.429 1.00 0.00 C ATOM 1108 CD ARG A 75 -2.993 -17.054 3.759 1.00 0.00 C ATOM 1109 NE ARG A 75 -1.726 -17.453 4.365 1.00 0.00 N ATOM 1110 CZ ARG A 75 -1.218 -18.677 4.270 1.00 0.00 C ATOM 1111 NH1 ARG A 75 -1.866 -19.616 3.595 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -0.059 -18.963 4.850 1.00 0.00 N ATOM 0 H ARG A 75 -4.215 -13.334 4.358 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.791 -14.490 4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.557 -16.599 4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.116 -15.330 3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.018 -14.940 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.485 -15.916 5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.702 -17.879 3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.840 -16.851 2.699 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.202 -16.753 4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.757 -19.400 3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.474 -20.555 3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.443 -18.243 5.369 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.330 -19.903 4.776 1.00 0.00 H new ATOM 1126 N MET A 76 -4.842 -14.719 7.175 1.00 0.00 N ATOM 1127 CA MET A 76 -4.784 -15.123 8.575 1.00 0.00 C ATOM 1128 C MET A 76 -5.608 -14.181 9.447 1.00 0.00 C ATOM 1129 O MET A 76 -5.311 -13.994 10.627 1.00 0.00 O ATOM 1130 CB MET A 76 -3.334 -15.149 9.060 1.00 0.00 C ATOM 1131 CG MET A 76 -2.497 -16.244 8.419 1.00 0.00 C ATOM 1132 SD MET A 76 -0.728 -15.907 8.504 1.00 0.00 S ATOM 1133 CE MET A 76 -0.068 -17.572 8.550 1.00 0.00 C ATOM 0 H MET A 76 -4.069 -14.125 6.875 1.00 0.00 H new ATOM 0 HA MET A 76 -5.205 -16.125 8.656 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.873 -14.183 8.853 1.00 0.00 H new ATOM 0 HB3 MET A 76 -3.324 -15.282 10.142 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.706 -17.192 8.914 1.00 0.00 H new ATOM 0 HG3 MET A 76 -2.791 -16.357 7.376 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.020 -17.531 8.604 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.455 -18.093 9.426 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.367 -18.107 7.648 1.00 0.00 H new ATOM 1143 N ALA A 77 -6.643 -13.591 8.859 1.00 0.00 N ATOM 1144 CA ALA A 77 -7.510 -12.670 9.584 1.00 0.00 C ATOM 1145 C ALA A 77 -8.835 -13.333 9.946 1.00 0.00 C ATOM 1146 O ALA A 77 -9.895 -12.716 9.847 1.00 0.00 O ATOM 1147 CB ALA A 77 -7.754 -11.415 8.759 1.00 0.00 C ATOM 0 H ALA A 77 -6.902 -13.734 7.883 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.008 -12.391 10.511 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.403 -10.736 9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.803 -10.923 8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.231 -11.686 7.817 1.00 0.00 H new ATOM 1153 N GLN A 78 -8.766 -14.593 10.365 1.00 0.00 N ATOM 1154 CA GLN A 78 -9.961 -15.339 10.740 1.00 0.00 C ATOM 1155 C GLN A 78 -10.723 -14.624 11.851 1.00 0.00 C ATOM 1156 O GLN A 78 -11.951 -14.688 11.917 1.00 0.00 O ATOM 1157 CB GLN A 78 -9.585 -16.752 11.191 1.00 0.00 C ATOM 1158 CG GLN A 78 -9.268 -17.693 10.040 1.00 0.00 C ATOM 1159 CD GLN A 78 -9.340 -19.152 10.443 1.00 0.00 C ATOM 1160 OE1 GLN A 78 -10.138 -19.533 11.300 1.00 0.00 O ATOM 1161 NE2 GLN A 78 -8.503 -19.979 9.826 1.00 0.00 N ATOM 0 H GLN A 78 -7.896 -15.118 10.453 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.608 -15.404 9.865 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.720 -16.695 11.852 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.406 -17.169 11.775 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.967 -17.511 9.224 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.270 -17.474 9.661 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.858 -19.620 9.122 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.505 -20.973 10.057 1.00 0.00 H new ATOM 1170 N LYS A 79 -9.987 -13.943 12.723 1.00 0.00 N ATOM 1171 CA LYS A 79 -10.592 -13.214 13.831 1.00 0.00 C ATOM 1172 C LYS A 79 -11.065 -11.835 13.383 1.00 0.00 C ATOM 1173 O LYS A 79 -10.851 -10.840 14.074 1.00 0.00 O ATOM 1174 CB LYS A 79 -9.593 -13.074 14.982 1.00 0.00 C ATOM 1175 CG LYS A 79 -8.369 -12.248 14.627 1.00 0.00 C ATOM 1176 CD LYS A 79 -7.525 -11.945 15.854 1.00 0.00 C ATOM 1177 CE LYS A 79 -6.781 -10.627 15.707 1.00 0.00 C ATOM 1178 NZ LYS A 79 -7.654 -9.459 16.010 1.00 0.00 N ATOM 0 H LYS A 79 -8.970 -13.881 12.683 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.457 -13.780 14.176 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.095 -12.616 15.834 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.272 -14.067 15.297 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.767 -12.785 13.894 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.682 -11.314 14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.164 -11.907 16.736 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.810 -12.752 16.013 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.920 -10.620 16.376 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.396 -10.539 14.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.109 -8.580 15.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.462 -9.451 15.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.001 -9.529 16.988 1.00 0.00 H new ATOM 1192 N ASN A 80 -11.709 -11.784 12.221 1.00 0.00 N ATOM 1193 CA ASN A 80 -12.212 -10.526 11.681 1.00 0.00 C ATOM 1194 C ASN A 80 -13.736 -10.483 11.735 1.00 0.00 C ATOM 1195 O ASN A 80 -14.409 -10.712 10.730 1.00 0.00 O ATOM 1196 CB ASN A 80 -11.736 -10.340 10.239 1.00 0.00 C ATOM 1197 CG ASN A 80 -11.949 -8.924 9.739 1.00 0.00 C ATOM 1198 OD1 ASN A 80 -12.803 -8.676 8.888 1.00 0.00 O ATOM 1199 ND2 ASN A 80 -11.169 -7.987 10.266 1.00 0.00 N ATOM 0 H ASN A 80 -11.895 -12.599 11.636 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.821 -9.713 12.293 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.677 -10.590 10.173 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -12.269 -11.036 9.591 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.265 -7.016 9.968 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.474 -8.238 10.969 1.00 0.00 H new ATOM 1206 N GLN A 81 -14.273 -10.186 12.914 1.00 0.00 N ATOM 1207 CA GLN A 81 -15.717 -10.112 13.099 1.00 0.00 C ATOM 1208 C GLN A 81 -16.379 -9.391 11.929 1.00 0.00 C ATOM 1209 O GLN A 81 -15.742 -8.601 11.232 1.00 0.00 O ATOM 1210 CB GLN A 81 -16.049 -9.396 14.409 1.00 0.00 C ATOM 1211 CG GLN A 81 -15.499 -10.095 15.641 1.00 0.00 C ATOM 1212 CD GLN A 81 -15.835 -11.573 15.673 1.00 0.00 C ATOM 1213 OE1 GLN A 81 -15.314 -12.358 14.881 1.00 0.00 O ATOM 1214 NE2 GLN A 81 -16.712 -11.961 16.592 1.00 0.00 N ATOM 0 H GLN A 81 -13.730 -9.993 13.755 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.105 -11.130 13.142 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.652 -8.382 14.370 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.132 -9.311 14.503 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.416 -9.972 15.671 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.899 -9.616 16.535 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -17.120 -11.277 17.229 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.978 -12.943 16.661 1.00 0.00 H new ATOM 1223 N LYS A 82 -17.662 -9.668 11.719 1.00 0.00 N ATOM 1224 CA LYS A 82 -18.412 -9.046 10.635 1.00 0.00 C ATOM 1225 C LYS A 82 -18.917 -7.666 11.044 1.00 0.00 C ATOM 1226 O LYS A 82 -19.342 -7.463 12.181 1.00 0.00 O ATOM 1227 CB LYS A 82 -19.592 -9.933 10.229 1.00 0.00 C ATOM 1228 CG LYS A 82 -20.379 -9.393 9.047 1.00 0.00 C ATOM 1229 CD LYS A 82 -21.553 -10.295 8.701 1.00 0.00 C ATOM 1230 CE LYS A 82 -22.630 -9.539 7.939 1.00 0.00 C ATOM 1231 NZ LYS A 82 -23.531 -10.461 7.192 1.00 0.00 N ATOM 0 H LYS A 82 -18.204 -10.320 12.286 1.00 0.00 H new ATOM 0 HA LYS A 82 -17.742 -8.930 9.783 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -19.221 -10.928 9.984 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -20.262 -10.044 11.081 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -20.743 -8.392 9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -19.722 -9.301 8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -21.203 -11.135 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -21.976 -10.710 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -23.218 -8.943 8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -22.162 -8.844 7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -24.251 -9.908 6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -22.974 -11.012 6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -23.997 -11.107 7.860 1.00 0.00 H new ATOM 1245 N SER A 83 -18.868 -6.722 10.110 1.00 0.00 N ATOM 1246 CA SER A 83 -19.318 -5.360 10.375 1.00 0.00 C ATOM 1247 C SER A 83 -20.246 -4.870 9.267 1.00 0.00 C ATOM 1248 O SER A 83 -21.346 -4.388 9.532 1.00 0.00 O ATOM 1249 CB SER A 83 -18.118 -4.420 10.504 1.00 0.00 C ATOM 1250 OG SER A 83 -17.316 -4.453 9.337 1.00 0.00 O ATOM 0 H SER A 83 -18.521 -6.875 9.163 1.00 0.00 H new ATOM 0 HA SER A 83 -19.871 -5.362 11.314 1.00 0.00 H new ATOM 0 HB2 SER A 83 -18.467 -3.402 10.681 1.00 0.00 H new ATOM 0 HB3 SER A 83 -17.519 -4.706 11.369 1.00 0.00 H new ATOM 0 HG SER A 83 -16.557 -3.842 9.444 1.00 0.00 H new ATOM 1256 N GLY A 84 -19.792 -4.997 8.024 1.00 0.00 N ATOM 1257 CA GLY A 84 -20.592 -4.563 6.894 1.00 0.00 C ATOM 1258 C GLY A 84 -20.817 -3.064 6.885 1.00 0.00 C ATOM 1259 O GLY A 84 -21.882 -2.572 7.258 1.00 0.00 O ATOM 0 H GLY A 84 -18.884 -5.393 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -20.098 -4.859 5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -21.556 -5.072 6.918 1.00 0.00 H new ATOM 1263 N PRO A 85 -19.795 -2.311 6.451 1.00 0.00 N ATOM 1264 CA PRO A 85 -19.861 -0.848 6.386 1.00 0.00 C ATOM 1265 C PRO A 85 -20.811 -0.359 5.298 1.00 0.00 C ATOM 1266 O PRO A 85 -20.683 -0.737 4.133 1.00 0.00 O ATOM 1267 CB PRO A 85 -18.422 -0.442 6.062 1.00 0.00 C ATOM 1268 CG PRO A 85 -17.840 -1.627 5.372 1.00 0.00 C ATOM 1269 CD PRO A 85 -18.496 -2.830 5.991 1.00 0.00 C ATOM 0 HA PRO A 85 -20.242 -0.415 7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -18.394 0.441 5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.866 -0.198 6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.031 -1.587 4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.758 -1.662 5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -18.619 -3.637 5.269 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -17.907 -3.228 6.817 1.00 0.00 H new ATOM 1277 N SER A 86 -21.763 0.484 5.685 1.00 0.00 N ATOM 1278 CA SER A 86 -22.736 1.023 4.742 1.00 0.00 C ATOM 1279 C SER A 86 -22.041 1.589 3.508 1.00 0.00 C ATOM 1280 O SER A 86 -22.372 1.233 2.377 1.00 0.00 O ATOM 1281 CB SER A 86 -23.579 2.110 5.411 1.00 0.00 C ATOM 1282 OG SER A 86 -22.756 3.094 6.014 1.00 0.00 O ATOM 0 H SER A 86 -21.881 0.808 6.645 1.00 0.00 H new ATOM 0 HA SER A 86 -23.389 0.209 4.428 1.00 0.00 H new ATOM 0 HB2 SER A 86 -24.228 2.578 4.671 1.00 0.00 H new ATOM 0 HB3 SER A 86 -24.226 1.661 6.164 1.00 0.00 H new ATOM 0 HG SER A 86 -23.318 3.779 6.433 1.00 0.00 H new ATOM 1288 N SER A 87 -21.077 2.475 3.734 1.00 0.00 N ATOM 1289 CA SER A 87 -20.336 3.095 2.641 1.00 0.00 C ATOM 1290 C SER A 87 -19.365 2.102 2.011 1.00 0.00 C ATOM 1291 O SER A 87 -18.687 1.351 2.710 1.00 0.00 O ATOM 1292 CB SER A 87 -19.574 4.322 3.145 1.00 0.00 C ATOM 1293 OG SER A 87 -18.823 4.920 2.102 1.00 0.00 O ATOM 0 H SER A 87 -20.790 2.780 4.664 1.00 0.00 H new ATOM 0 HA SER A 87 -21.052 3.408 1.881 1.00 0.00 H new ATOM 0 HB2 SER A 87 -20.277 5.048 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 87 -18.907 4.032 3.957 1.00 0.00 H new ATOM 0 HG SER A 87 -18.347 5.703 2.449 1.00 0.00 H new ATOM 1299 N GLY A 88 -19.304 2.106 0.682 1.00 0.00 N ATOM 1300 CA GLY A 88 -18.413 1.202 -0.022 1.00 0.00 C ATOM 1301 C GLY A 88 -16.953 1.473 0.281 1.00 0.00 C ATOM 1302 O GLY A 88 -16.614 1.699 1.442 1.00 0.00 O ATOM 0 H GLY A 88 -19.855 2.719 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -18.653 0.174 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.581 1.294 -1.095 1.00 0.00 H new TER 1306 GLY A 88 HETATM 1307 ZN ZN A 201 5.783 10.251 5.628 1.00 0.00 ZN HETATM 1308 ZN ZN A 401 -5.813 0.977 3.876 1.00 0.00 ZN