USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 843 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 Single : A 1 MET CE :methyl 141:sc= -2.57! (180deg=-6.08!) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.174 (180deg=0.13) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -143:sc= 0.886 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 163:sc= -0.111 (180deg=-0.533) USER MOD Single : A 37 LYS NZ :NH3+ -152:sc= 1.85 (180deg=0.578) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.305 K(o=-0.31,f=-6.9!) USER MOD Single : A 54 CYS SG : rot 110:sc= -0.199 USER MOD Single : A 55 ASN : amide:sc= -0.0123 K(o=-0.012,f=-0.95) USER MOD Single : A 57 MET CE :methyl -167:sc= -1.45 (180deg=-1.65) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 61 MET CE :methyl -150:sc= -0.137 (180deg=-1.12) USER MOD Single : A 64 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.39) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 82 HIS : no HD1:sc= -0.534 K(o=-0.53,f=-1.3!) USER MOD Single : A 91 HIS : no HD1:sc= -0.0466 X(o=-0.047,f=-0.0052) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 102 HIS :FLIP no HD1:sc= 0.0235 F(o=-0.77,f=0.024) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 105 HIS : no HD1:sc= -0.0849 X(o=-0.085,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.981 -10.026 -3.673 1.00 0.00 N ATOM 2 CA MET A 1 -5.797 -8.834 -4.528 1.00 0.00 C ATOM 3 C MET A 1 -4.479 -8.155 -4.176 1.00 0.00 C ATOM 4 O MET A 1 -4.102 -8.104 -3.010 1.00 0.00 O ATOM 5 CB MET A 1 -6.966 -7.865 -4.313 1.00 0.00 C ATOM 6 CG MET A 1 -6.973 -6.673 -5.250 1.00 0.00 C ATOM 7 SD MET A 1 -7.249 -7.145 -6.966 1.00 0.00 S ATOM 8 CE MET A 1 -7.474 -5.536 -7.715 1.00 0.00 C ATOM 0 H1 MET A 1 -6.755 -10.609 -4.052 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.103 -10.583 -3.660 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.215 -9.726 -2.705 1.00 0.00 H new ATOM 0 HA MET A 1 -5.773 -9.133 -5.576 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.901 -8.411 -4.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.938 -7.503 -3.285 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.751 -5.975 -4.939 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.022 -6.147 -5.170 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.990 -5.518 -8.691 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.539 -5.336 -7.834 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.031 -4.772 -7.076 1.00 0.00 H new ATOM 20 N LYS A 2 -3.761 -7.666 -5.176 1.00 0.00 N ATOM 21 CA LYS A 2 -2.530 -6.926 -4.925 1.00 0.00 C ATOM 22 C LYS A 2 -2.857 -5.468 -4.648 1.00 0.00 C ATOM 23 O LYS A 2 -3.805 -4.924 -5.215 1.00 0.00 O ATOM 24 CB LYS A 2 -1.570 -7.015 -6.119 1.00 0.00 C ATOM 25 CG LYS A 2 -0.672 -8.248 -6.136 1.00 0.00 C ATOM 26 CD LYS A 2 -1.467 -9.540 -6.137 1.00 0.00 C ATOM 27 CE LYS A 2 -0.561 -10.743 -6.342 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.295 -12.023 -6.171 1.00 0.00 N ATOM 0 H LYS A 2 -4.005 -7.766 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.040 -7.370 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.155 -6.998 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.940 -6.126 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.033 -8.217 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.016 -8.229 -5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.002 -9.641 -5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.217 -9.508 -6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.126 -10.704 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.265 -10.701 -5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.643 -12.820 -6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.689 -12.072 -5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.068 -12.075 -6.865 1.00 0.00 H new ATOM 42 N LEU A 3 -2.087 -4.842 -3.774 1.00 0.00 N ATOM 43 CA LEU A 3 -2.242 -3.419 -3.512 1.00 0.00 C ATOM 44 C LEU A 3 -1.884 -2.622 -4.763 1.00 0.00 C ATOM 45 O LEU A 3 -2.462 -1.574 -5.040 1.00 0.00 O ATOM 46 CB LEU A 3 -1.360 -3.003 -2.332 1.00 0.00 C ATOM 47 CG LEU A 3 -1.457 -1.535 -1.917 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.899 -1.146 -1.650 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.615 -1.282 -0.682 1.00 0.00 C ATOM 0 H LEU A 3 -1.349 -5.295 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.280 -3.211 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.618 -3.622 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.322 -3.223 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.079 -0.923 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.945 -0.097 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.490 -1.296 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.300 -1.765 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.693 -0.233 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.972 -1.908 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.426 -1.523 -0.896 1.00 0.00 H new ATOM 61 N SER A 4 -0.941 -3.152 -5.527 1.00 0.00 N ATOM 62 CA SER A 4 -0.536 -2.551 -6.790 1.00 0.00 C ATOM 63 C SER A 4 -1.594 -2.793 -7.871 1.00 0.00 C ATOM 64 O SER A 4 -1.593 -2.148 -8.920 1.00 0.00 O ATOM 65 CB SER A 4 0.809 -3.140 -7.211 1.00 0.00 C ATOM 66 OG SER A 4 1.205 -2.696 -8.492 1.00 0.00 O ATOM 0 H SER A 4 -0.437 -4.007 -5.291 1.00 0.00 H new ATOM 0 HA SER A 4 -0.437 -1.473 -6.662 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.570 -2.864 -6.481 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.745 -4.228 -7.209 1.00 0.00 H new ATOM 0 HG SER A 4 1.652 -3.427 -8.968 1.00 0.00 H new ATOM 72 N GLU A 5 -2.502 -3.722 -7.599 1.00 0.00 N ATOM 73 CA GLU A 5 -3.562 -4.054 -8.538 1.00 0.00 C ATOM 74 C GLU A 5 -4.778 -3.165 -8.329 1.00 0.00 C ATOM 75 O GLU A 5 -5.760 -3.252 -9.070 1.00 0.00 O ATOM 76 CB GLU A 5 -3.947 -5.526 -8.415 1.00 0.00 C ATOM 77 CG GLU A 5 -3.000 -6.447 -9.158 1.00 0.00 C ATOM 78 CD GLU A 5 -2.986 -6.157 -10.640 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.912 -6.617 -11.340 1.00 0.00 O ATOM 80 OE2 GLU A 5 -2.072 -5.449 -11.110 1.00 0.00 O ATOM 0 H GLU A 5 -2.524 -4.260 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.185 -3.877 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.965 -5.805 -7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.958 -5.665 -8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.993 -6.335 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.296 -7.483 -8.993 1.00 0.00 H new ATOM 87 N LEU A 6 -4.707 -2.302 -7.324 1.00 0.00 N ATOM 88 CA LEU A 6 -5.787 -1.368 -7.051 1.00 0.00 C ATOM 89 C LEU A 6 -5.768 -0.215 -8.044 1.00 0.00 C ATOM 90 O LEU A 6 -4.861 -0.106 -8.870 1.00 0.00 O ATOM 91 CB LEU A 6 -5.695 -0.829 -5.626 1.00 0.00 C ATOM 92 CG LEU A 6 -5.981 -1.855 -4.534 1.00 0.00 C ATOM 93 CD1 LEU A 6 -5.943 -1.201 -3.166 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.327 -2.515 -4.773 1.00 0.00 C ATOM 0 H LEU A 6 -3.914 -2.231 -6.687 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.728 -1.908 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.696 -0.422 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.396 -0.001 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.208 -2.622 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.149 -1.948 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.956 -0.770 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.696 -0.414 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.519 -3.245 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.111 -1.757 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.319 -3.017 -5.740 1.00 0.00 H new ATOM 106 N LYS A 7 -6.781 0.639 -7.966 1.00 0.00 N ATOM 107 CA LYS A 7 -6.905 1.760 -8.886 1.00 0.00 C ATOM 108 C LYS A 7 -7.240 3.029 -8.110 1.00 0.00 C ATOM 109 O LYS A 7 -7.720 2.954 -6.978 1.00 0.00 O ATOM 110 CB LYS A 7 -7.984 1.470 -9.935 1.00 0.00 C ATOM 111 CG LYS A 7 -8.109 -0.011 -10.278 1.00 0.00 C ATOM 112 CD LYS A 7 -8.923 -0.250 -11.535 1.00 0.00 C ATOM 113 CE LYS A 7 -8.148 0.150 -12.776 1.00 0.00 C ATOM 114 NZ LYS A 7 -8.819 -0.305 -14.017 1.00 0.00 N ATOM 0 H LYS A 7 -7.528 0.576 -7.275 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.956 1.904 -9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.944 1.833 -9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.757 2.028 -10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.114 -0.436 -10.408 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.573 -0.536 -9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.198 -1.303 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.851 0.319 -11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.036 1.234 -12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.145 -0.273 -12.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.258 -0.012 -14.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.903 -1.342 -14.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.767 0.119 -14.075 1.00 0.00 H new ATOM 128 N ALA A 8 -6.985 4.185 -8.713 1.00 0.00 N ATOM 129 CA ALA A 8 -7.195 5.465 -8.044 1.00 0.00 C ATOM 130 C ALA A 8 -8.661 5.659 -7.678 1.00 0.00 C ATOM 131 O ALA A 8 -9.514 5.848 -8.550 1.00 0.00 O ATOM 132 CB ALA A 8 -6.711 6.609 -8.919 1.00 0.00 C ATOM 0 H ALA A 8 -6.632 4.262 -9.667 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.614 5.461 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.875 7.556 -8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.647 6.487 -9.122 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.263 6.607 -9.859 1.00 0.00 H new ATOM 138 N GLY A 9 -8.947 5.586 -6.385 1.00 0.00 N ATOM 139 CA GLY A 9 -10.306 5.719 -5.909 1.00 0.00 C ATOM 140 C GLY A 9 -10.732 4.515 -5.097 1.00 0.00 C ATOM 141 O GLY A 9 -11.581 4.620 -4.211 1.00 0.00 O ATOM 0 H GLY A 9 -8.253 5.436 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.392 6.619 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.979 5.843 -6.758 1.00 0.00 H new ATOM 145 N ASP A 10 -10.117 3.375 -5.392 1.00 0.00 N ATOM 146 CA ASP A 10 -10.477 2.117 -4.748 1.00 0.00 C ATOM 147 C ASP A 10 -9.979 2.063 -3.310 1.00 0.00 C ATOM 148 O ASP A 10 -8.960 2.669 -2.961 1.00 0.00 O ATOM 149 CB ASP A 10 -9.925 0.921 -5.537 1.00 0.00 C ATOM 150 CG ASP A 10 -10.769 0.586 -6.752 1.00 0.00 C ATOM 151 OD1 ASP A 10 -10.554 1.192 -7.823 1.00 0.00 O ATOM 152 OD2 ASP A 10 -11.650 -0.292 -6.643 1.00 0.00 O ATOM 0 H ASP A 10 -9.364 3.296 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.565 2.061 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.906 1.140 -5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.874 0.051 -4.883 1.00 0.00 H new ATOM 157 N ARG A 11 -10.716 1.340 -2.481 1.00 0.00 N ATOM 158 CA ARG A 11 -10.371 1.156 -1.081 1.00 0.00 C ATOM 159 C ARG A 11 -10.236 -0.329 -0.786 1.00 0.00 C ATOM 160 O ARG A 11 -11.052 -1.131 -1.238 1.00 0.00 O ATOM 161 CB ARG A 11 -11.449 1.774 -0.187 1.00 0.00 C ATOM 162 CG ARG A 11 -11.561 3.283 -0.331 1.00 0.00 C ATOM 163 CD ARG A 11 -12.889 3.804 0.195 1.00 0.00 C ATOM 164 NE ARG A 11 -13.099 3.515 1.613 1.00 0.00 N ATOM 165 CZ ARG A 11 -14.237 3.775 2.257 1.00 0.00 C ATOM 166 NH1 ARG A 11 -15.270 4.296 1.610 1.00 0.00 N ATOM 167 NH2 ARG A 11 -14.351 3.496 3.545 1.00 0.00 N ATOM 0 H ARG A 11 -11.573 0.863 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.423 1.653 -0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.411 1.321 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.231 1.531 0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.744 3.761 0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.453 3.557 -1.381 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.937 4.882 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.700 3.362 -0.383 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.334 3.092 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.197 4.500 0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.138 4.492 2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.567 3.081 4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.223 3.696 4.035 1.00 0.00 H new ATOM 181 N ALA A 12 -9.211 -0.695 -0.039 1.00 0.00 N ATOM 182 CA ALA A 12 -8.961 -2.096 0.267 1.00 0.00 C ATOM 183 C ALA A 12 -8.458 -2.263 1.695 1.00 0.00 C ATOM 184 O ALA A 12 -8.030 -1.294 2.327 1.00 0.00 O ATOM 185 CB ALA A 12 -7.954 -2.677 -0.711 1.00 0.00 C ATOM 0 H ALA A 12 -8.538 -0.045 0.367 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.903 -2.636 0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.776 -3.725 -0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.345 -2.599 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.017 -2.125 -0.640 1.00 0.00 H new ATOM 191 N GLU A 13 -8.528 -3.488 2.199 1.00 0.00 N ATOM 192 CA GLU A 13 -7.974 -3.824 3.500 1.00 0.00 C ATOM 193 C GLU A 13 -6.755 -4.719 3.320 1.00 0.00 C ATOM 194 O GLU A 13 -6.825 -5.739 2.634 1.00 0.00 O ATOM 195 CB GLU A 13 -9.022 -4.524 4.369 1.00 0.00 C ATOM 196 CG GLU A 13 -8.531 -4.829 5.778 1.00 0.00 C ATOM 197 CD GLU A 13 -9.588 -5.473 6.653 1.00 0.00 C ATOM 198 OE1 GLU A 13 -10.458 -4.742 7.177 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.550 -6.707 6.834 1.00 0.00 O ATOM 0 H GLU A 13 -8.969 -4.272 1.718 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.674 -2.905 4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.911 -3.897 4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.321 -5.455 3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.666 -5.489 5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.195 -3.904 6.247 1.00 0.00 H new ATOM 206 N VAL A 14 -5.639 -4.321 3.913 1.00 0.00 N ATOM 207 CA VAL A 14 -4.405 -5.093 3.826 1.00 0.00 C ATOM 208 C VAL A 14 -4.513 -6.374 4.642 1.00 0.00 C ATOM 209 O VAL A 14 -4.732 -6.331 5.854 1.00 0.00 O ATOM 210 CB VAL A 14 -3.192 -4.276 4.324 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.910 -5.088 4.197 1.00 0.00 C ATOM 212 CG2 VAL A 14 -3.078 -2.963 3.561 1.00 0.00 C ATOM 0 H VAL A 14 -5.561 -3.465 4.462 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.254 -5.341 2.775 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.345 -4.044 5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.067 -4.495 4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.993 -5.996 4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.750 -5.355 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.218 -2.403 3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.951 -3.170 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.984 -2.375 3.711 1.00 0.00 H new ATOM 222 N THR A 15 -4.363 -7.511 3.981 1.00 0.00 N ATOM 223 CA THR A 15 -4.442 -8.789 4.660 1.00 0.00 C ATOM 224 C THR A 15 -3.051 -9.345 4.949 1.00 0.00 C ATOM 225 O THR A 15 -2.861 -10.092 5.908 1.00 0.00 O ATOM 226 CB THR A 15 -5.255 -9.811 3.842 1.00 0.00 C ATOM 227 OG1 THR A 15 -4.727 -9.918 2.514 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.720 -9.408 3.779 1.00 0.00 C ATOM 0 H THR A 15 -4.187 -7.572 2.978 1.00 0.00 H new ATOM 0 HA THR A 15 -4.955 -8.618 5.607 1.00 0.00 H new ATOM 0 HB THR A 15 -5.179 -10.779 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.251 -10.571 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.275 -10.144 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.128 -9.361 4.789 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.808 -8.430 3.306 1.00 0.00 H new ATOM 236 N SER A 16 -2.078 -8.973 4.126 1.00 0.00 N ATOM 237 CA SER A 16 -0.705 -9.422 4.317 1.00 0.00 C ATOM 238 C SER A 16 0.263 -8.549 3.527 1.00 0.00 C ATOM 239 O SER A 16 -0.102 -7.970 2.507 1.00 0.00 O ATOM 240 CB SER A 16 -0.566 -10.888 3.889 1.00 0.00 C ATOM 241 OG SER A 16 0.717 -11.399 4.210 1.00 0.00 O ATOM 0 H SER A 16 -2.214 -8.362 3.321 1.00 0.00 H new ATOM 0 HA SER A 16 -0.458 -9.336 5.375 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.332 -11.487 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.736 -10.973 2.816 1.00 0.00 H new ATOM 0 HG SER A 16 0.776 -12.335 3.927 1.00 0.00 H new ATOM 247 N VAL A 17 1.492 -8.447 4.010 1.00 0.00 N ATOM 248 CA VAL A 17 2.516 -7.649 3.348 1.00 0.00 C ATOM 249 C VAL A 17 3.762 -8.497 3.109 1.00 0.00 C ATOM 250 O VAL A 17 4.240 -9.175 4.019 1.00 0.00 O ATOM 251 CB VAL A 17 2.905 -6.409 4.191 1.00 0.00 C ATOM 252 CG1 VAL A 17 3.934 -5.557 3.464 1.00 0.00 C ATOM 253 CG2 VAL A 17 1.676 -5.581 4.540 1.00 0.00 C ATOM 0 H VAL A 17 1.807 -8.909 4.863 1.00 0.00 H new ATOM 0 HA VAL A 17 2.104 -7.307 2.398 1.00 0.00 H new ATOM 0 HB VAL A 17 3.352 -6.764 5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.190 -4.693 4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.831 -6.149 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.520 -5.218 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.976 -4.716 5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.193 -5.243 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.978 -6.190 5.115 1.00 0.00 H new ATOM 263 N ALA A 18 4.299 -8.443 1.899 1.00 0.00 N ATOM 264 CA ALA A 18 5.480 -9.219 1.564 1.00 0.00 C ATOM 265 C ALA A 18 6.516 -8.351 0.864 1.00 0.00 C ATOM 266 O ALA A 18 6.352 -7.963 -0.291 1.00 0.00 O ATOM 267 CB ALA A 18 5.110 -10.412 0.700 1.00 0.00 C ATOM 0 H ALA A 18 3.936 -7.871 1.136 1.00 0.00 H new ATOM 0 HA ALA A 18 5.917 -9.590 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.009 -10.980 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.411 -11.050 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.644 -10.063 -0.222 1.00 0.00 H new ATOM 273 N ALA A 19 7.569 -8.041 1.596 1.00 0.00 N ATOM 274 CA ALA A 19 8.665 -7.229 1.102 1.00 0.00 C ATOM 275 C ALA A 19 9.864 -7.464 1.997 1.00 0.00 C ATOM 276 O ALA A 19 9.744 -8.171 2.998 1.00 0.00 O ATOM 277 CB ALA A 19 8.285 -5.752 1.092 1.00 0.00 C ATOM 0 H ALA A 19 7.689 -8.349 2.561 1.00 0.00 H new ATOM 0 HA ALA A 19 8.901 -7.510 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.123 -5.163 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.420 -5.603 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.041 -5.432 2.105 1.00 0.00 H new ATOM 283 N GLU A 20 11.007 -6.883 1.648 1.00 0.00 N ATOM 284 CA GLU A 20 12.196 -6.995 2.483 1.00 0.00 C ATOM 285 C GLU A 20 11.895 -6.465 3.883 1.00 0.00 C ATOM 286 O GLU A 20 11.143 -5.499 4.037 1.00 0.00 O ATOM 287 CB GLU A 20 13.375 -6.234 1.864 1.00 0.00 C ATOM 288 CG GLU A 20 13.997 -6.930 0.655 1.00 0.00 C ATOM 289 CD GLU A 20 13.047 -7.074 -0.517 1.00 0.00 C ATOM 290 OE1 GLU A 20 12.847 -6.084 -1.253 1.00 0.00 O ATOM 291 OE2 GLU A 20 12.503 -8.180 -0.711 1.00 0.00 O ATOM 0 H GLU A 20 11.134 -6.333 0.798 1.00 0.00 H new ATOM 0 HA GLU A 20 12.475 -8.046 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.037 -5.242 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.143 -6.094 2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.874 -6.368 0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.344 -7.919 0.954 1.00 0.00 H new ATOM 298 N PRO A 21 12.477 -7.092 4.917 1.00 0.00 N ATOM 299 CA PRO A 21 12.166 -6.786 6.319 1.00 0.00 C ATOM 300 C PRO A 21 12.311 -5.302 6.648 1.00 0.00 C ATOM 301 O PRO A 21 11.463 -4.728 7.335 1.00 0.00 O ATOM 302 CB PRO A 21 13.182 -7.620 7.116 1.00 0.00 C ATOM 303 CG PRO A 21 14.198 -8.076 6.122 1.00 0.00 C ATOM 304 CD PRO A 21 13.490 -8.150 4.804 1.00 0.00 C ATOM 0 HA PRO A 21 11.129 -7.023 6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.644 -7.025 7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.698 -8.469 7.599 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.036 -7.381 6.075 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.606 -9.048 6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.169 -7.972 3.970 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.037 -9.128 4.643 1.00 0.00 H new ATOM 312 N ALA A 22 13.370 -4.685 6.135 1.00 0.00 N ATOM 313 CA ALA A 22 13.628 -3.271 6.373 1.00 0.00 C ATOM 314 C ALA A 22 12.550 -2.405 5.733 1.00 0.00 C ATOM 315 O ALA A 22 12.127 -1.394 6.298 1.00 0.00 O ATOM 316 CB ALA A 22 14.993 -2.890 5.826 1.00 0.00 C ATOM 0 H ALA A 22 14.066 -5.145 5.549 1.00 0.00 H new ATOM 0 HA ALA A 22 13.612 -3.098 7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.176 -1.831 6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.762 -3.482 6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.022 -3.083 4.754 1.00 0.00 H new ATOM 322 N VAL A 23 12.096 -2.825 4.561 1.00 0.00 N ATOM 323 CA VAL A 23 11.102 -2.082 3.808 1.00 0.00 C ATOM 324 C VAL A 23 9.729 -2.252 4.443 1.00 0.00 C ATOM 325 O VAL A 23 9.001 -1.281 4.656 1.00 0.00 O ATOM 326 CB VAL A 23 11.067 -2.558 2.339 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.979 -1.842 1.555 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.424 -2.348 1.680 1.00 0.00 C ATOM 0 H VAL A 23 12.405 -3.686 4.109 1.00 0.00 H new ATOM 0 HA VAL A 23 11.374 -1.027 3.825 1.00 0.00 H new ATOM 0 HB VAL A 23 10.837 -3.623 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.979 -2.198 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.009 -2.045 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.168 -0.769 1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.383 -2.688 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.680 -1.289 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.182 -2.916 2.219 1.00 0.00 H new ATOM 338 N ARG A 24 9.399 -3.492 4.775 1.00 0.00 N ATOM 339 CA ARG A 24 8.126 -3.808 5.404 1.00 0.00 C ATOM 340 C ARG A 24 8.022 -3.133 6.770 1.00 0.00 C ATOM 341 O ARG A 24 6.945 -2.696 7.171 1.00 0.00 O ATOM 342 CB ARG A 24 7.968 -5.324 5.529 1.00 0.00 C ATOM 343 CG ARG A 24 6.659 -5.760 6.175 1.00 0.00 C ATOM 344 CD ARG A 24 6.383 -7.237 5.941 1.00 0.00 C ATOM 345 NE ARG A 24 7.538 -8.071 6.263 1.00 0.00 N ATOM 346 CZ ARG A 24 7.841 -9.203 5.624 1.00 0.00 C ATOM 347 NH1 ARG A 24 7.025 -9.685 4.693 1.00 0.00 N ATOM 348 NH2 ARG A 24 8.944 -9.869 5.941 1.00 0.00 N ATOM 0 H ARG A 24 10.001 -4.300 4.617 1.00 0.00 H new ATOM 0 HA ARG A 24 7.318 -3.427 4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.037 -5.769 4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.799 -5.718 6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.698 -5.562 7.246 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.838 -5.168 5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.533 -7.547 6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.104 -7.392 4.899 1.00 0.00 H new ATOM 0 HE ARG A 24 8.150 -7.770 7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.163 -9.190 4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.260 -10.550 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.560 -9.516 6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.176 -10.734 5.453 1.00 0.00 H new ATOM 362 N ARG A 25 9.150 -3.022 7.462 1.00 0.00 N ATOM 363 CA ARG A 25 9.196 -2.330 8.744 1.00 0.00 C ATOM 364 C ARG A 25 8.814 -0.867 8.566 1.00 0.00 C ATOM 365 O ARG A 25 8.064 -0.317 9.365 1.00 0.00 O ATOM 366 CB ARG A 25 10.590 -2.438 9.372 1.00 0.00 C ATOM 367 CG ARG A 25 10.727 -1.703 10.700 1.00 0.00 C ATOM 368 CD ARG A 25 9.742 -2.220 11.740 1.00 0.00 C ATOM 369 NE ARG A 25 9.975 -3.624 12.070 1.00 0.00 N ATOM 370 CZ ARG A 25 9.110 -4.394 12.727 1.00 0.00 C ATOM 371 NH1 ARG A 25 7.934 -3.913 13.118 1.00 0.00 N ATOM 372 NH2 ARG A 25 9.427 -5.653 12.994 1.00 0.00 N ATOM 0 H ARG A 25 10.046 -3.403 7.156 1.00 0.00 H new ATOM 0 HA ARG A 25 8.480 -2.805 9.414 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.829 -3.491 9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.325 -2.042 8.671 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.744 -1.817 11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.563 -0.637 10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.822 -1.618 12.645 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.725 -2.100 11.366 1.00 0.00 H new ATOM 0 HE ARG A 25 10.858 -4.042 11.778 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.686 -2.945 12.915 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.279 -4.512 13.621 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.329 -6.026 12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.769 -6.249 13.497 1.00 0.00 H new ATOM 386 N ARG A 26 9.320 -0.249 7.505 1.00 0.00 N ATOM 387 CA ARG A 26 9.003 1.142 7.207 1.00 0.00 C ATOM 388 C ARG A 26 7.525 1.302 6.867 1.00 0.00 C ATOM 389 O ARG A 26 6.891 2.279 7.259 1.00 0.00 O ATOM 390 CB ARG A 26 9.873 1.657 6.060 1.00 0.00 C ATOM 391 CG ARG A 26 11.288 1.994 6.490 1.00 0.00 C ATOM 392 CD ARG A 26 12.126 2.497 5.327 1.00 0.00 C ATOM 393 NE ARG A 26 13.332 3.174 5.793 1.00 0.00 N ATOM 394 CZ ARG A 26 14.499 3.169 5.158 1.00 0.00 C ATOM 395 NH1 ARG A 26 14.650 2.504 4.016 1.00 0.00 N ATOM 396 NH2 ARG A 26 15.519 3.844 5.673 1.00 0.00 N ATOM 0 H ARG A 26 9.952 -0.690 6.837 1.00 0.00 H new ATOM 0 HA ARG A 26 9.214 1.735 8.097 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.909 0.904 5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.409 2.545 5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.259 2.753 7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.757 1.110 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.402 1.659 4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.534 3.182 4.720 1.00 0.00 H new ATOM 0 HE ARG A 26 13.275 3.689 6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.864 1.990 3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.551 2.508 3.539 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.401 4.358 6.546 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.420 3.849 5.196 1.00 0.00 H new ATOM 410 N LEU A 27 6.980 0.331 6.146 1.00 0.00 N ATOM 411 CA LEU A 27 5.565 0.336 5.799 1.00 0.00 C ATOM 412 C LEU A 27 4.714 0.198 7.055 1.00 0.00 C ATOM 413 O LEU A 27 3.774 0.969 7.272 1.00 0.00 O ATOM 414 CB LEU A 27 5.252 -0.802 4.822 1.00 0.00 C ATOM 415 CG LEU A 27 6.024 -0.758 3.501 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.654 -1.948 2.628 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.753 0.545 2.764 1.00 0.00 C ATOM 0 H LEU A 27 7.498 -0.472 5.789 1.00 0.00 H new ATOM 0 HA LEU A 27 5.329 1.285 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.462 -1.751 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.185 -0.787 4.601 1.00 0.00 H new ATOM 0 HG LEU A 27 7.089 -0.811 3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.212 -1.901 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.899 -2.873 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.585 -1.924 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.311 0.556 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.687 0.628 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.066 1.385 3.383 1.00 0.00 H new ATOM 429 N MET A 28 5.067 -0.771 7.893 1.00 0.00 N ATOM 430 CA MET A 28 4.353 -1.006 9.145 1.00 0.00 C ATOM 431 C MET A 28 4.494 0.188 10.081 1.00 0.00 C ATOM 432 O MET A 28 3.552 0.545 10.790 1.00 0.00 O ATOM 433 CB MET A 28 4.871 -2.272 9.832 1.00 0.00 C ATOM 434 CG MET A 28 4.576 -3.552 9.064 1.00 0.00 C ATOM 435 SD MET A 28 5.294 -5.013 9.844 1.00 0.00 S ATOM 436 CE MET A 28 4.453 -5.008 11.428 1.00 0.00 C ATOM 0 H MET A 28 5.846 -1.409 7.728 1.00 0.00 H new ATOM 0 HA MET A 28 3.297 -1.141 8.909 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.948 -2.183 9.972 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.426 -2.344 10.824 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.497 -3.682 8.983 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.963 -3.460 8.049 1.00 0.00 H new ATOM 0 HE1 MET A 28 4.552 -5.988 11.896 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.898 -4.251 12.074 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.397 -4.782 11.279 1.00 0.00 H new ATOM 446 N ASP A 29 5.673 0.798 10.076 1.00 0.00 N ATOM 447 CA ASP A 29 5.934 1.980 10.892 1.00 0.00 C ATOM 448 C ASP A 29 4.965 3.098 10.537 1.00 0.00 C ATOM 449 O ASP A 29 4.374 3.723 11.416 1.00 0.00 O ATOM 450 CB ASP A 29 7.372 2.466 10.689 1.00 0.00 C ATOM 451 CG ASP A 29 7.747 3.600 11.624 1.00 0.00 C ATOM 452 OD1 ASP A 29 7.331 4.754 11.382 1.00 0.00 O ATOM 453 OD2 ASP A 29 8.478 3.345 12.602 1.00 0.00 O ATOM 0 H ASP A 29 6.467 0.493 9.514 1.00 0.00 H new ATOM 0 HA ASP A 29 5.795 1.706 11.938 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.057 1.633 10.843 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.497 2.795 9.657 1.00 0.00 H new ATOM 458 N LEU A 30 4.783 3.323 9.240 1.00 0.00 N ATOM 459 CA LEU A 30 3.915 4.390 8.761 1.00 0.00 C ATOM 460 C LEU A 30 2.471 4.124 9.162 1.00 0.00 C ATOM 461 O LEU A 30 1.747 5.039 9.557 1.00 0.00 O ATOM 462 CB LEU A 30 4.023 4.527 7.239 1.00 0.00 C ATOM 463 CG LEU A 30 5.401 4.939 6.715 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.404 4.984 5.194 1.00 0.00 C ATOM 465 CD2 LEU A 30 5.805 6.290 7.288 1.00 0.00 C ATOM 0 H LEU A 30 5.227 2.778 8.501 1.00 0.00 H new ATOM 0 HA LEU A 30 4.238 5.325 9.219 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.750 3.575 6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.291 5.262 6.904 1.00 0.00 H new ATOM 0 HG LEU A 30 6.128 4.194 7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.392 5.279 4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.157 3.998 4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.665 5.708 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.787 6.568 6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.074 7.043 6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.844 6.227 8.376 1.00 0.00 H new ATOM 477 N GLY A 31 2.068 2.867 9.073 1.00 0.00 N ATOM 478 CA GLY A 31 0.733 2.488 9.476 1.00 0.00 C ATOM 479 C GLY A 31 0.153 1.393 8.606 1.00 0.00 C ATOM 480 O GLY A 31 -0.983 0.965 8.812 1.00 0.00 O ATOM 0 H GLY A 31 2.645 2.100 8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.752 2.152 10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.083 3.362 9.436 1.00 0.00 H new ATOM 484 N LEU A 32 0.931 0.934 7.635 1.00 0.00 N ATOM 485 CA LEU A 32 0.470 -0.093 6.715 1.00 0.00 C ATOM 486 C LEU A 32 0.697 -1.475 7.319 1.00 0.00 C ATOM 487 O LEU A 32 1.799 -2.026 7.260 1.00 0.00 O ATOM 488 CB LEU A 32 1.192 0.044 5.367 1.00 0.00 C ATOM 489 CG LEU A 32 0.456 -0.534 4.149 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.112 -0.054 2.868 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.435 -2.057 4.189 1.00 0.00 C ATOM 0 H LEU A 32 1.883 1.257 7.465 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.599 0.033 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.381 1.102 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.163 -0.445 5.446 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.575 -0.182 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.583 -0.469 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.074 1.035 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.151 -0.382 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.093 -2.437 3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.457 -2.435 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.075 -2.390 5.093 1.00 0.00 H new ATOM 503 N VAL A 33 -0.348 -2.010 7.930 1.00 0.00 N ATOM 504 CA VAL A 33 -0.288 -3.318 8.566 1.00 0.00 C ATOM 505 C VAL A 33 -1.517 -4.141 8.203 1.00 0.00 C ATOM 506 O VAL A 33 -2.416 -3.655 7.518 1.00 0.00 O ATOM 507 CB VAL A 33 -0.202 -3.201 10.106 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.110 -2.565 10.534 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.375 -2.402 10.655 1.00 0.00 C ATOM 0 H VAL A 33 -1.257 -1.553 7.999 1.00 0.00 H new ATOM 0 HA VAL A 33 0.613 -3.811 8.202 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.245 -4.210 10.516 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.143 -2.495 11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.942 -3.176 10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.188 -1.566 10.104 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.293 -2.333 11.740 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.365 -1.400 10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.309 -2.900 10.393 1.00 0.00 H new ATOM 519 N ARG A 34 -1.553 -5.387 8.656 1.00 0.00 N ATOM 520 CA ARG A 34 -2.717 -6.238 8.452 1.00 0.00 C ATOM 521 C ARG A 34 -3.936 -5.641 9.149 1.00 0.00 C ATOM 522 O ARG A 34 -3.908 -5.379 10.354 1.00 0.00 O ATOM 523 CB ARG A 34 -2.443 -7.654 8.972 1.00 0.00 C ATOM 524 CG ARG A 34 -3.672 -8.549 8.995 1.00 0.00 C ATOM 525 CD ARG A 34 -3.331 -9.946 9.483 1.00 0.00 C ATOM 526 NE ARG A 34 -2.548 -10.687 8.498 1.00 0.00 N ATOM 527 CZ ARG A 34 -1.614 -11.587 8.801 1.00 0.00 C ATOM 528 NH1 ARG A 34 -1.292 -11.822 10.066 1.00 0.00 N ATOM 529 NH2 ARG A 34 -0.991 -12.247 7.831 1.00 0.00 N ATOM 0 H ARG A 34 -0.790 -5.831 9.167 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.922 -6.297 7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.679 -8.118 8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.035 -7.588 9.980 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.431 -8.111 9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.101 -8.606 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.772 -9.879 10.416 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.250 -10.490 9.701 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.729 -10.503 7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.761 -11.312 10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.576 -12.513 10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.228 -12.064 6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.275 -12.937 8.061 1.00 0.00 H new ATOM 543 N GLY A 35 -4.991 -5.413 8.384 1.00 0.00 N ATOM 544 CA GLY A 35 -6.192 -4.816 8.927 1.00 0.00 C ATOM 545 C GLY A 35 -6.342 -3.369 8.512 1.00 0.00 C ATOM 546 O GLY A 35 -7.410 -2.771 8.670 1.00 0.00 O ATOM 0 H GLY A 35 -5.037 -5.633 7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.062 -5.381 8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.169 -4.881 10.015 1.00 0.00 H new ATOM 550 N ALA A 36 -5.267 -2.808 7.972 1.00 0.00 N ATOM 551 CA ALA A 36 -5.264 -1.419 7.547 1.00 0.00 C ATOM 552 C ALA A 36 -6.086 -1.242 6.282 1.00 0.00 C ATOM 553 O ALA A 36 -5.872 -1.934 5.287 1.00 0.00 O ATOM 554 CB ALA A 36 -3.840 -0.925 7.328 1.00 0.00 C ATOM 0 H ALA A 36 -4.385 -3.297 7.819 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.717 -0.823 8.339 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.861 0.117 7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.279 -1.009 8.258 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.360 -1.529 6.558 1.00 0.00 H new ATOM 560 N LYS A 37 -7.034 -0.326 6.336 1.00 0.00 N ATOM 561 CA LYS A 37 -7.856 -0.007 5.184 1.00 0.00 C ATOM 562 C LYS A 37 -7.418 1.326 4.608 1.00 0.00 C ATOM 563 O LYS A 37 -7.293 2.313 5.333 1.00 0.00 O ATOM 564 CB LYS A 37 -9.331 0.022 5.580 1.00 0.00 C ATOM 565 CG LYS A 37 -9.927 -1.367 5.745 1.00 0.00 C ATOM 566 CD LYS A 37 -11.248 -1.342 6.496 1.00 0.00 C ATOM 567 CE LYS A 37 -11.036 -1.290 8.002 1.00 0.00 C ATOM 568 NZ LYS A 37 -10.225 -2.442 8.486 1.00 0.00 N ATOM 0 H LYS A 37 -7.255 0.214 7.172 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.731 -0.775 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.440 0.572 6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.895 0.566 4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.079 -1.814 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.220 -2.002 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.830 -0.476 6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.829 -2.228 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.538 -0.358 8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.003 -1.289 8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.479 -2.656 9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.414 -3.274 7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.215 -2.202 8.434 1.00 0.00 H new ATOM 582 N LEU A 38 -7.170 1.352 3.313 1.00 0.00 N ATOM 583 CA LEU A 38 -6.584 2.521 2.685 1.00 0.00 C ATOM 584 C LEU A 38 -7.289 2.872 1.381 1.00 0.00 C ATOM 585 O LEU A 38 -7.866 2.006 0.717 1.00 0.00 O ATOM 586 CB LEU A 38 -5.087 2.296 2.420 1.00 0.00 C ATOM 587 CG LEU A 38 -4.737 1.202 1.404 1.00 0.00 C ATOM 588 CD1 LEU A 38 -3.305 1.373 0.926 1.00 0.00 C ATOM 589 CD2 LEU A 38 -4.913 -0.187 2.002 1.00 0.00 C ATOM 0 H LEU A 38 -7.364 0.579 2.676 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.708 3.356 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.655 3.235 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.604 2.052 3.366 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.419 1.300 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.066 0.591 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.193 2.349 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.627 1.302 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.657 -0.939 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.259 -0.296 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.949 -0.321 2.312 1.00 0.00 H new ATOM 601 N LYS A 39 -7.235 4.150 1.032 1.00 0.00 N ATOM 602 CA LYS A 39 -7.780 4.642 -0.226 1.00 0.00 C ATOM 603 C LYS A 39 -6.644 4.974 -1.184 1.00 0.00 C ATOM 604 O LYS A 39 -5.743 5.741 -0.841 1.00 0.00 O ATOM 605 CB LYS A 39 -8.634 5.897 0.012 1.00 0.00 C ATOM 606 CG LYS A 39 -9.063 6.599 -1.272 1.00 0.00 C ATOM 607 CD LYS A 39 -9.656 7.972 -0.993 1.00 0.00 C ATOM 608 CE LYS A 39 -9.912 8.735 -2.286 1.00 0.00 C ATOM 609 NZ LYS A 39 -10.352 10.134 -2.040 1.00 0.00 N ATOM 0 H LYS A 39 -6.812 4.875 1.612 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.409 3.865 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.523 5.619 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.070 6.598 0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.204 6.702 -1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.797 5.985 -1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.590 7.862 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.977 8.542 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.002 8.743 -2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.673 8.214 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.514 10.612 -2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.235 10.129 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.616 10.641 -1.508 1.00 0.00 H new ATOM 623 N VAL A 40 -6.673 4.396 -2.373 1.00 0.00 N ATOM 624 CA VAL A 40 -5.670 4.706 -3.379 1.00 0.00 C ATOM 625 C VAL A 40 -5.911 6.105 -3.931 1.00 0.00 C ATOM 626 O VAL A 40 -6.992 6.398 -4.444 1.00 0.00 O ATOM 627 CB VAL A 40 -5.681 3.686 -4.533 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.574 3.994 -5.530 1.00 0.00 C ATOM 629 CG2 VAL A 40 -5.540 2.274 -3.990 1.00 0.00 C ATOM 0 H VAL A 40 -7.374 3.715 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.693 4.657 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.636 3.761 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.598 3.263 -6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.722 4.993 -5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.608 3.947 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.549 1.564 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.600 2.186 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.370 2.058 -3.317 1.00 0.00 H new ATOM 639 N LEU A 41 -4.913 6.969 -3.812 1.00 0.00 N ATOM 640 CA LEU A 41 -5.069 8.364 -4.190 1.00 0.00 C ATOM 641 C LEU A 41 -4.636 8.612 -5.629 1.00 0.00 C ATOM 642 O LEU A 41 -5.456 8.976 -6.475 1.00 0.00 O ATOM 643 CB LEU A 41 -4.271 9.266 -3.243 1.00 0.00 C ATOM 644 CG LEU A 41 -4.697 9.208 -1.777 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.807 10.103 -0.932 1.00 0.00 C ATOM 646 CD2 LEU A 41 -6.155 9.620 -1.629 1.00 0.00 C ATOM 0 H LEU A 41 -3.988 6.728 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.129 8.606 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.218 8.994 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.357 10.296 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.591 8.181 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.123 10.051 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.772 9.770 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.886 11.132 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.442 9.573 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.284 10.639 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.785 8.944 -2.207 1.00 0.00 H new ATOM 658 N ARG A 42 -3.357 8.403 -5.915 1.00 0.00 N ATOM 659 CA ARG A 42 -2.815 8.773 -7.210 1.00 0.00 C ATOM 660 C ARG A 42 -1.755 7.785 -7.664 1.00 0.00 C ATOM 661 O ARG A 42 -1.150 7.081 -6.853 1.00 0.00 O ATOM 662 CB ARG A 42 -2.193 10.168 -7.140 1.00 0.00 C ATOM 663 CG ARG A 42 -2.337 10.974 -8.424 1.00 0.00 C ATOM 664 CD ARG A 42 -3.491 11.964 -8.336 1.00 0.00 C ATOM 665 NE ARG A 42 -4.723 11.343 -7.843 1.00 0.00 N ATOM 666 CZ ARG A 42 -5.815 12.025 -7.499 1.00 0.00 C ATOM 667 NH1 ARG A 42 -5.868 13.338 -7.677 1.00 0.00 N ATOM 668 NH2 ARG A 42 -6.862 11.390 -6.990 1.00 0.00 N ATOM 0 H ARG A 42 -2.684 7.984 -5.273 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.636 8.765 -7.927 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.656 10.721 -6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.134 10.071 -6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.410 11.511 -8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.500 10.298 -9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.212 12.785 -7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.673 12.394 -9.321 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.746 10.327 -7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.071 13.831 -8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.706 13.855 -7.412 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.832 10.379 -6.861 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.697 11.913 -6.727 1.00 0.00 H new ATOM 682 N PHE A 43 -1.545 7.748 -8.964 1.00 0.00 N ATOM 683 CA PHE A 43 -0.464 6.980 -9.558 1.00 0.00 C ATOM 684 C PHE A 43 0.402 7.905 -10.391 1.00 0.00 C ATOM 685 O PHE A 43 -0.112 8.819 -11.047 1.00 0.00 O ATOM 686 CB PHE A 43 -0.990 5.858 -10.461 1.00 0.00 C ATOM 687 CG PHE A 43 -1.723 4.760 -9.747 1.00 0.00 C ATOM 688 CD1 PHE A 43 -1.041 3.648 -9.283 1.00 0.00 C ATOM 689 CD2 PHE A 43 -3.093 4.828 -9.561 1.00 0.00 C ATOM 690 CE1 PHE A 43 -1.711 2.625 -8.642 1.00 0.00 C ATOM 691 CE2 PHE A 43 -3.768 3.807 -8.923 1.00 0.00 C ATOM 692 CZ PHE A 43 -3.076 2.704 -8.461 1.00 0.00 C ATOM 0 H PHE A 43 -2.119 8.250 -9.642 1.00 0.00 H new ATOM 0 HA PHE A 43 0.109 6.528 -8.748 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.655 6.294 -11.206 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.149 5.422 -11.001 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.028 3.580 -9.424 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.639 5.688 -9.919 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.167 1.764 -8.283 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.837 3.870 -8.785 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.603 1.906 -7.959 1.00 0.00 H new ATOM 702 N ALA A 44 1.705 7.688 -10.360 1.00 0.00 N ATOM 703 CA ALA A 44 2.605 8.415 -11.237 1.00 0.00 C ATOM 704 C ALA A 44 2.346 8.003 -12.684 1.00 0.00 C ATOM 705 O ALA A 44 1.717 6.970 -12.926 1.00 0.00 O ATOM 706 CB ALA A 44 4.048 8.156 -10.841 1.00 0.00 C ATOM 0 H ALA A 44 2.161 7.018 -9.741 1.00 0.00 H new ATOM 0 HA ALA A 44 2.422 9.485 -11.143 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.712 8.707 -11.507 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.208 8.485 -9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.261 7.090 -10.918 1.00 0.00 H new ATOM 712 N PRO A 45 2.823 8.787 -13.667 1.00 0.00 N ATOM 713 CA PRO A 45 2.557 8.529 -15.091 1.00 0.00 C ATOM 714 C PRO A 45 3.128 7.199 -15.597 1.00 0.00 C ATOM 715 O PRO A 45 2.979 6.862 -16.772 1.00 0.00 O ATOM 716 CB PRO A 45 3.235 9.703 -15.807 1.00 0.00 C ATOM 717 CG PRO A 45 4.241 10.216 -14.840 1.00 0.00 C ATOM 718 CD PRO A 45 3.647 9.998 -13.481 1.00 0.00 C ATOM 0 HA PRO A 45 1.486 8.450 -15.275 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.708 9.379 -16.734 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.512 10.475 -16.071 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.188 9.686 -14.943 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.446 11.273 -15.012 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.417 9.850 -12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.046 10.850 -13.162 1.00 0.00 H new ATOM 726 N LEU A 46 3.762 6.442 -14.710 1.00 0.00 N ATOM 727 CA LEU A 46 4.328 5.148 -15.071 1.00 0.00 C ATOM 728 C LEU A 46 3.958 4.083 -14.041 1.00 0.00 C ATOM 729 O LEU A 46 4.573 3.018 -13.990 1.00 0.00 O ATOM 730 CB LEU A 46 5.852 5.255 -15.193 1.00 0.00 C ATOM 731 CG LEU A 46 6.357 6.172 -16.308 1.00 0.00 C ATOM 732 CD1 LEU A 46 7.867 6.320 -16.227 1.00 0.00 C ATOM 733 CD2 LEU A 46 5.951 5.631 -17.672 1.00 0.00 C ATOM 0 H LEU A 46 3.897 6.703 -13.733 1.00 0.00 H new ATOM 0 HA LEU A 46 3.912 4.851 -16.034 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.252 5.611 -14.244 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.258 4.256 -15.355 1.00 0.00 H new ATOM 0 HG LEU A 46 5.902 7.154 -16.178 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.212 6.975 -17.027 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.139 6.750 -15.263 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.335 5.341 -16.333 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.319 6.297 -18.452 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.378 4.638 -17.811 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.864 5.570 -17.730 1.00 0.00 H new ATOM 745 N GLY A 47 2.943 4.372 -13.228 1.00 0.00 N ATOM 746 CA GLY A 47 2.470 3.406 -12.244 1.00 0.00 C ATOM 747 C GLY A 47 3.423 3.250 -11.073 1.00 0.00 C ATOM 748 O GLY A 47 3.367 2.262 -10.341 1.00 0.00 O ATOM 0 H GLY A 47 2.438 5.258 -13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.494 3.719 -11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.333 2.439 -12.727 1.00 0.00 H new ATOM 752 N ASP A 48 4.286 4.235 -10.895 1.00 0.00 N ATOM 753 CA ASP A 48 5.299 4.210 -9.847 1.00 0.00 C ATOM 754 C ASP A 48 5.935 5.588 -9.733 1.00 0.00 C ATOM 755 O ASP A 48 6.438 6.125 -10.721 1.00 0.00 O ATOM 756 CB ASP A 48 6.368 3.150 -10.160 1.00 0.00 C ATOM 757 CG ASP A 48 7.493 3.103 -9.135 1.00 0.00 C ATOM 758 OD1 ASP A 48 8.334 4.031 -9.108 1.00 0.00 O ATOM 759 OD2 ASP A 48 7.569 2.111 -8.383 1.00 0.00 O ATOM 0 H ASP A 48 4.307 5.076 -11.472 1.00 0.00 H new ATOM 0 HA ASP A 48 4.831 3.949 -8.898 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.893 2.170 -10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.791 3.352 -11.144 1.00 0.00 H new ATOM 764 N PRO A 49 5.921 6.190 -8.535 1.00 0.00 N ATOM 765 CA PRO A 49 5.384 5.564 -7.329 1.00 0.00 C ATOM 766 C PRO A 49 3.859 5.648 -7.226 1.00 0.00 C ATOM 767 O PRO A 49 3.188 6.250 -8.072 1.00 0.00 O ATOM 768 CB PRO A 49 6.032 6.378 -6.210 1.00 0.00 C ATOM 769 CG PRO A 49 6.207 7.738 -6.789 1.00 0.00 C ATOM 770 CD PRO A 49 6.435 7.546 -8.266 1.00 0.00 C ATOM 0 HA PRO A 49 5.599 4.496 -7.302 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.401 6.403 -5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.988 5.949 -5.910 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.325 8.353 -6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.052 8.250 -6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.905 8.297 -8.852 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.492 7.630 -8.521 1.00 0.00 H new ATOM 778 N ILE A 50 3.328 5.026 -6.181 1.00 0.00 N ATOM 779 CA ILE A 50 1.900 5.029 -5.904 1.00 0.00 C ATOM 780 C ILE A 50 1.629 5.802 -4.620 1.00 0.00 C ATOM 781 O ILE A 50 2.351 5.643 -3.632 1.00 0.00 O ATOM 782 CB ILE A 50 1.362 3.588 -5.750 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.701 2.754 -6.989 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.144 3.598 -5.514 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.354 1.284 -6.848 1.00 0.00 C ATOM 0 H ILE A 50 3.879 4.504 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 50 1.392 5.505 -6.743 1.00 0.00 H new ATOM 0 HB ILE A 50 1.843 3.135 -4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.169 3.163 -7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.766 2.848 -7.199 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.503 2.574 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.366 4.156 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.642 4.071 -6.360 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.622 0.757 -7.764 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.906 0.859 -6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.284 1.178 -6.669 1.00 0.00 H new ATOM 797 N GLU A 51 0.608 6.643 -4.644 1.00 0.00 N ATOM 798 CA GLU A 51 0.228 7.429 -3.479 1.00 0.00 C ATOM 799 C GLU A 51 -1.100 6.930 -2.919 1.00 0.00 C ATOM 800 O GLU A 51 -2.120 6.938 -3.613 1.00 0.00 O ATOM 801 CB GLU A 51 0.127 8.909 -3.851 1.00 0.00 C ATOM 802 CG GLU A 51 1.424 9.481 -4.398 1.00 0.00 C ATOM 803 CD GLU A 51 1.282 10.916 -4.851 1.00 0.00 C ATOM 804 OE1 GLU A 51 1.141 11.804 -3.989 1.00 0.00 O ATOM 805 OE2 GLU A 51 1.322 11.165 -6.075 1.00 0.00 O ATOM 0 H GLU A 51 0.022 6.800 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 51 0.994 7.315 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.660 9.037 -4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.170 9.478 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.195 9.421 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.761 8.871 -5.236 1.00 0.00 H new ATOM 812 N VAL A 52 -1.083 6.481 -1.674 1.00 0.00 N ATOM 813 CA VAL A 52 -2.280 5.943 -1.039 1.00 0.00 C ATOM 814 C VAL A 52 -2.484 6.546 0.346 1.00 0.00 C ATOM 815 O VAL A 52 -1.525 6.901 1.024 1.00 0.00 O ATOM 816 CB VAL A 52 -2.209 4.403 -0.912 1.00 0.00 C ATOM 817 CG1 VAL A 52 -2.221 3.745 -2.284 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.971 3.980 -0.129 1.00 0.00 C ATOM 0 H VAL A 52 -0.253 6.478 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.123 6.208 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.091 4.071 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.170 2.662 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.139 4.012 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.362 4.089 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.943 2.893 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.077 4.331 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.007 4.413 0.871 1.00 0.00 H new ATOM 828 N ASN A 53 -3.736 6.671 0.753 1.00 0.00 N ATOM 829 CA ASN A 53 -4.060 7.161 2.088 1.00 0.00 C ATOM 830 C ASN A 53 -4.313 5.980 3.011 1.00 0.00 C ATOM 831 O ASN A 53 -5.372 5.354 2.949 1.00 0.00 O ATOM 832 CB ASN A 53 -5.299 8.066 2.049 1.00 0.00 C ATOM 833 CG ASN A 53 -5.578 8.752 3.380 1.00 0.00 C ATOM 834 OD1 ASN A 53 -5.227 8.253 4.450 1.00 0.00 O ATOM 835 ND2 ASN A 53 -6.234 9.899 3.321 1.00 0.00 N ATOM 0 H ASN A 53 -4.548 6.440 0.180 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.219 7.746 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.164 8.824 1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.167 7.472 1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.465 10.399 4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.509 10.283 2.417 1.00 0.00 H new ATOM 842 N CYS A 54 -3.343 5.669 3.853 1.00 0.00 N ATOM 843 CA CYS A 54 -3.447 4.528 4.743 1.00 0.00 C ATOM 844 C CYS A 54 -3.704 4.982 6.174 1.00 0.00 C ATOM 845 O CYS A 54 -2.794 5.455 6.854 1.00 0.00 O ATOM 846 CB CYS A 54 -2.172 3.681 4.674 1.00 0.00 C ATOM 847 SG CYS A 54 -2.248 2.143 5.619 1.00 0.00 S ATOM 0 H CYS A 54 -2.472 6.193 3.938 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.291 3.918 4.420 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.964 3.443 3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.334 4.276 5.038 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.291 1.133 4.802 1.00 0.00 H new ATOM 853 N ASN A 55 -4.963 4.874 6.603 1.00 0.00 N ATOM 854 CA ASN A 55 -5.358 5.182 7.982 1.00 0.00 C ATOM 855 C ASN A 55 -5.075 6.640 8.340 1.00 0.00 C ATOM 856 O ASN A 55 -4.830 6.965 9.503 1.00 0.00 O ATOM 857 CB ASN A 55 -4.639 4.253 8.972 1.00 0.00 C ATOM 858 CG ASN A 55 -5.146 2.822 8.917 1.00 0.00 C ATOM 859 OD1 ASN A 55 -6.314 2.569 8.619 1.00 0.00 O ATOM 860 ND2 ASN A 55 -4.267 1.875 9.204 1.00 0.00 N ATOM 0 H ASN A 55 -5.735 4.572 6.009 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.433 5.019 8.053 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.570 4.262 8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.767 4.640 9.983 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.548 0.895 9.183 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.308 2.125 9.446 1.00 0.00 H new ATOM 867 N GLY A 56 -5.135 7.516 7.345 1.00 0.00 N ATOM 868 CA GLY A 56 -4.898 8.927 7.582 1.00 0.00 C ATOM 869 C GLY A 56 -3.468 9.336 7.284 1.00 0.00 C ATOM 870 O GLY A 56 -3.118 10.512 7.389 1.00 0.00 O ATOM 0 H GLY A 56 -5.344 7.274 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.577 9.515 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.130 9.161 8.621 1.00 0.00 H new ATOM 874 N MET A 57 -2.638 8.364 6.923 1.00 0.00 N ATOM 875 CA MET A 57 -1.264 8.636 6.529 1.00 0.00 C ATOM 876 C MET A 57 -1.100 8.432 5.030 1.00 0.00 C ATOM 877 O MET A 57 -1.301 7.330 4.520 1.00 0.00 O ATOM 878 CB MET A 57 -0.277 7.745 7.293 1.00 0.00 C ATOM 879 CG MET A 57 -0.062 8.154 8.745 1.00 0.00 C ATOM 880 SD MET A 57 -1.478 7.807 9.810 1.00 0.00 S ATOM 881 CE MET A 57 -1.492 6.018 9.780 1.00 0.00 C ATOM 0 H MET A 57 -2.896 7.377 6.896 1.00 0.00 H new ATOM 0 HA MET A 57 -1.042 9.674 6.778 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.637 6.717 7.266 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.683 7.760 6.777 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.812 7.633 9.135 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.159 9.221 8.785 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.432 5.655 10.194 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.390 5.671 8.752 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.662 5.638 10.376 1.00 0.00 H new ATOM 891 N LEU A 58 -0.759 9.502 4.328 1.00 0.00 N ATOM 892 CA LEU A 58 -0.522 9.429 2.894 1.00 0.00 C ATOM 893 C LEU A 58 0.840 8.808 2.628 1.00 0.00 C ATOM 894 O LEU A 58 1.879 9.393 2.947 1.00 0.00 O ATOM 895 CB LEU A 58 -0.605 10.817 2.245 1.00 0.00 C ATOM 896 CG LEU A 58 -2.016 11.408 2.115 1.00 0.00 C ATOM 897 CD1 LEU A 58 -2.581 11.822 3.469 1.00 0.00 C ATOM 898 CD2 LEU A 58 -2.005 12.584 1.155 1.00 0.00 C ATOM 0 H LEU A 58 -0.640 10.432 4.729 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.298 8.805 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.006 11.507 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.162 10.760 1.251 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.668 10.632 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.581 12.235 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.633 10.952 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.934 12.575 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.011 12.995 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.329 13.353 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.667 12.250 0.174 1.00 0.00 H new ATOM 910 N LEU A 59 0.831 7.609 2.072 1.00 0.00 N ATOM 911 CA LEU A 59 2.056 6.868 1.843 1.00 0.00 C ATOM 912 C LEU A 59 2.377 6.825 0.355 1.00 0.00 C ATOM 913 O LEU A 59 1.523 6.479 -0.464 1.00 0.00 O ATOM 914 CB LEU A 59 1.938 5.434 2.374 1.00 0.00 C ATOM 915 CG LEU A 59 1.199 5.253 3.706 1.00 0.00 C ATOM 916 CD1 LEU A 59 1.313 3.810 4.172 1.00 0.00 C ATOM 917 CD2 LEU A 59 1.726 6.201 4.773 1.00 0.00 C ATOM 0 H LEU A 59 -0.016 7.127 1.770 1.00 0.00 H new ATOM 0 HA LEU A 59 2.858 7.378 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.432 4.832 1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.943 5.028 2.484 1.00 0.00 H new ATOM 0 HG LEU A 59 0.149 5.495 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.786 3.691 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.872 3.150 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.364 3.553 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.178 6.043 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.786 6.009 4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.592 7.231 4.443 1.00 0.00 H new ATOM 929 N THR A 60 3.598 7.187 0.015 1.00 0.00 N ATOM 930 CA THR A 60 4.069 7.106 -1.355 1.00 0.00 C ATOM 931 C THR A 60 5.188 6.074 -1.450 1.00 0.00 C ATOM 932 O THR A 60 6.207 6.191 -0.768 1.00 0.00 O ATOM 933 CB THR A 60 4.571 8.479 -1.846 1.00 0.00 C ATOM 934 OG1 THR A 60 3.532 9.456 -1.686 1.00 0.00 O ATOM 935 CG2 THR A 60 4.987 8.417 -3.308 1.00 0.00 C ATOM 0 H THR A 60 4.289 7.544 0.675 1.00 0.00 H new ATOM 0 HA THR A 60 3.239 6.801 -1.992 1.00 0.00 H new ATOM 0 HB THR A 60 5.440 8.759 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.853 10.328 -1.997 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.337 9.398 -3.629 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.789 7.689 -3.427 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.133 8.119 -3.917 1.00 0.00 H new ATOM 943 N MET A 61 4.991 5.053 -2.271 1.00 0.00 N ATOM 944 CA MET A 61 5.954 3.960 -2.363 1.00 0.00 C ATOM 945 C MET A 61 5.984 3.369 -3.759 1.00 0.00 C ATOM 946 O MET A 61 5.228 3.786 -4.634 1.00 0.00 O ATOM 947 CB MET A 61 5.612 2.874 -1.342 1.00 0.00 C ATOM 948 CG MET A 61 4.233 2.279 -1.544 1.00 0.00 C ATOM 949 SD MET A 61 3.787 1.089 -0.273 1.00 0.00 S ATOM 950 CE MET A 61 2.125 0.685 -0.791 1.00 0.00 C ATOM 0 H MET A 61 4.179 4.956 -2.881 1.00 0.00 H new ATOM 0 HA MET A 61 6.943 4.362 -2.145 1.00 0.00 H new ATOM 0 HB2 MET A 61 6.356 2.080 -1.403 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.676 3.295 -0.338 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.496 3.082 -1.557 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.192 1.793 -2.519 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.526 0.421 0.081 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.680 1.546 -1.290 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.154 -0.159 -1.480 1.00 0.00 H new ATOM 960 N ARG A 62 6.850 2.387 -3.953 1.00 0.00 N ATOM 961 CA ARG A 62 7.102 1.853 -5.278 1.00 0.00 C ATOM 962 C ARG A 62 6.211 0.659 -5.576 1.00 0.00 C ATOM 963 O ARG A 62 5.646 0.044 -4.667 1.00 0.00 O ATOM 964 CB ARG A 62 8.582 1.481 -5.422 1.00 0.00 C ATOM 965 CG ARG A 62 9.505 2.648 -5.119 1.00 0.00 C ATOM 966 CD ARG A 62 8.969 3.925 -5.739 1.00 0.00 C ATOM 967 NE ARG A 62 9.769 5.097 -5.407 1.00 0.00 N ATOM 968 CZ ARG A 62 9.887 6.157 -6.199 1.00 0.00 C ATOM 969 NH1 ARG A 62 9.369 6.138 -7.424 1.00 0.00 N ATOM 970 NH2 ARG A 62 10.549 7.223 -5.775 1.00 0.00 N ATOM 0 H ARG A 62 7.389 1.945 -3.209 1.00 0.00 H new ATOM 0 HA ARG A 62 6.862 2.626 -6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.813 0.655 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.768 1.128 -6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.601 2.773 -4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.503 2.440 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.935 3.810 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.944 4.084 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 62 10.266 5.104 -4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.879 5.308 -7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.461 6.954 -8.029 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.966 7.228 -4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.642 8.039 -6.380 1.00 0.00 H new ATOM 984 N ARG A 63 6.090 0.342 -6.856 1.00 0.00 N ATOM 985 CA ARG A 63 5.178 -0.697 -7.307 1.00 0.00 C ATOM 986 C ARG A 63 5.536 -2.060 -6.714 1.00 0.00 C ATOM 987 O ARG A 63 4.648 -2.827 -6.349 1.00 0.00 O ATOM 988 CB ARG A 63 5.158 -0.771 -8.836 1.00 0.00 C ATOM 989 CG ARG A 63 4.091 -1.713 -9.366 1.00 0.00 C ATOM 990 CD ARG A 63 4.074 -1.784 -10.883 1.00 0.00 C ATOM 991 NE ARG A 63 3.106 -2.773 -11.359 1.00 0.00 N ATOM 992 CZ ARG A 63 2.565 -2.763 -12.577 1.00 0.00 C ATOM 993 NH1 ARG A 63 2.894 -1.818 -13.448 1.00 0.00 N ATOM 994 NH2 ARG A 63 1.690 -3.694 -12.926 1.00 0.00 N ATOM 0 H ARG A 63 6.616 0.793 -7.605 1.00 0.00 H new ATOM 0 HA ARG A 63 4.181 -0.432 -6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.989 0.227 -9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.135 -1.099 -9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.260 -2.711 -8.961 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.114 -1.386 -9.011 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.827 -0.804 -11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.068 -2.040 -11.248 1.00 0.00 H new ATOM 0 HE ARG A 63 2.828 -3.517 -10.718 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.564 -1.095 -13.187 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.477 -1.815 -14.379 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.428 -4.422 -12.262 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.278 -3.683 -13.859 1.00 0.00 H new ATOM 1008 N ASN A 64 6.833 -2.353 -6.604 1.00 0.00 N ATOM 1009 CA ASN A 64 7.284 -3.642 -6.069 1.00 0.00 C ATOM 1010 C ASN A 64 6.752 -3.856 -4.655 1.00 0.00 C ATOM 1011 O ASN A 64 6.395 -4.972 -4.275 1.00 0.00 O ATOM 1012 CB ASN A 64 8.822 -3.743 -6.063 1.00 0.00 C ATOM 1013 CG ASN A 64 9.484 -2.942 -4.948 1.00 0.00 C ATOM 1014 OD1 ASN A 64 9.683 -3.445 -3.842 1.00 0.00 O ATOM 1015 ND2 ASN A 64 9.838 -1.698 -5.230 1.00 0.00 N ATOM 0 H ASN A 64 7.586 -1.721 -6.876 1.00 0.00 H new ATOM 0 HA ASN A 64 6.889 -4.420 -6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.108 -4.790 -5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.204 -3.396 -7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.291 -1.123 -4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.657 -1.314 -6.158 1.00 0.00 H new ATOM 1022 N GLU A 65 6.683 -2.773 -3.891 1.00 0.00 N ATOM 1023 CA GLU A 65 6.206 -2.833 -2.522 1.00 0.00 C ATOM 1024 C GLU A 65 4.722 -3.166 -2.501 1.00 0.00 C ATOM 1025 O GLU A 65 4.278 -4.022 -1.743 1.00 0.00 O ATOM 1026 CB GLU A 65 6.476 -1.501 -1.817 1.00 0.00 C ATOM 1027 CG GLU A 65 7.957 -1.170 -1.710 1.00 0.00 C ATOM 1028 CD GLU A 65 8.224 0.248 -1.248 1.00 0.00 C ATOM 1029 OE1 GLU A 65 8.210 0.502 -0.026 1.00 0.00 O ATOM 1030 OE2 GLU A 65 8.479 1.115 -2.110 1.00 0.00 O ATOM 0 H GLU A 65 6.954 -1.840 -4.202 1.00 0.00 H new ATOM 0 HA GLU A 65 6.740 -3.619 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.970 -0.702 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.044 -1.532 -0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.428 -1.865 -1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.427 -1.322 -2.682 1.00 0.00 H new ATOM 1037 N ALA A 66 3.972 -2.516 -3.380 1.00 0.00 N ATOM 1038 CA ALA A 66 2.530 -2.711 -3.452 1.00 0.00 C ATOM 1039 C ALA A 66 2.176 -4.062 -4.076 1.00 0.00 C ATOM 1040 O ALA A 66 1.103 -4.609 -3.816 1.00 0.00 O ATOM 1041 CB ALA A 66 1.887 -1.574 -4.229 1.00 0.00 C ATOM 0 H ALA A 66 4.340 -1.846 -4.056 1.00 0.00 H new ATOM 0 HA ALA A 66 2.138 -2.710 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.809 -1.730 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.095 -0.628 -3.729 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.295 -1.548 -5.239 1.00 0.00 H new ATOM 1047 N GLU A 67 3.065 -4.585 -4.915 1.00 0.00 N ATOM 1048 CA GLU A 67 2.889 -5.922 -5.484 1.00 0.00 C ATOM 1049 C GLU A 67 2.946 -6.971 -4.379 1.00 0.00 C ATOM 1050 O GLU A 67 2.127 -7.893 -4.332 1.00 0.00 O ATOM 1051 CB GLU A 67 3.973 -6.216 -6.527 1.00 0.00 C ATOM 1052 CG GLU A 67 3.820 -5.443 -7.830 1.00 0.00 C ATOM 1053 CD GLU A 67 2.696 -5.969 -8.702 1.00 0.00 C ATOM 1054 OE1 GLU A 67 2.599 -7.205 -8.874 1.00 0.00 O ATOM 1055 OE2 GLU A 67 1.916 -5.150 -9.233 1.00 0.00 O ATOM 0 H GLU A 67 3.914 -4.107 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 67 1.915 -5.960 -5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.947 -5.986 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.966 -7.283 -6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.636 -4.393 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.756 -5.490 -8.386 1.00 0.00 H new ATOM 1062 N GLY A 68 3.925 -6.820 -3.496 1.00 0.00 N ATOM 1063 CA GLY A 68 4.092 -7.742 -2.389 1.00 0.00 C ATOM 1064 C GLY A 68 2.958 -7.676 -1.382 1.00 0.00 C ATOM 1065 O GLY A 68 2.731 -8.623 -0.631 1.00 0.00 O ATOM 0 H GLY A 68 4.613 -6.067 -3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.166 -8.758 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.033 -7.526 -1.883 1.00 0.00 H new ATOM 1069 N ILE A 69 2.244 -6.562 -1.362 1.00 0.00 N ATOM 1070 CA ILE A 69 1.166 -6.367 -0.402 1.00 0.00 C ATOM 1071 C ILE A 69 -0.143 -6.968 -0.908 1.00 0.00 C ATOM 1072 O ILE A 69 -0.625 -6.625 -1.990 1.00 0.00 O ATOM 1073 CB ILE A 69 0.956 -4.873 -0.085 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.257 -4.265 0.438 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.159 -4.695 0.937 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.199 -2.769 0.642 1.00 0.00 C ATOM 0 H ILE A 69 2.390 -5.779 -1.999 1.00 0.00 H new ATOM 0 HA ILE A 69 1.461 -6.881 0.512 1.00 0.00 H new ATOM 0 HB ILE A 69 0.666 -4.358 -1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.513 -4.741 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.060 -4.495 -0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.293 -3.634 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.087 -5.106 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.104 -5.218 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.160 -2.415 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.975 -2.281 -0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.420 -2.530 1.366 1.00 0.00 H new ATOM 1088 N THR A 70 -0.704 -7.866 -0.115 1.00 0.00 N ATOM 1089 CA THR A 70 -1.977 -8.486 -0.430 1.00 0.00 C ATOM 1090 C THR A 70 -3.104 -7.755 0.289 1.00 0.00 C ATOM 1091 O THR A 70 -3.062 -7.567 1.509 1.00 0.00 O ATOM 1092 CB THR A 70 -1.990 -9.972 -0.014 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.824 -10.630 -0.525 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.239 -10.679 -0.531 1.00 0.00 C ATOM 0 H THR A 70 -0.290 -8.184 0.762 1.00 0.00 H new ATOM 0 HA THR A 70 -2.123 -8.423 -1.508 1.00 0.00 H new ATOM 0 HB THR A 70 -1.994 -10.018 1.075 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.836 -11.572 -0.257 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.220 -11.724 -0.222 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.126 -10.196 -0.122 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.265 -10.623 -1.619 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.096 -7.329 -0.470 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.238 -6.615 0.075 1.00 0.00 C ATOM 1104 C VAL A 71 -6.537 -7.225 -0.433 1.00 0.00 C ATOM 1105 O VAL A 71 -6.529 -8.082 -1.320 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.207 -5.116 -0.305 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.974 -4.436 0.265 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.256 -4.938 -1.815 1.00 0.00 C ATOM 0 H VAL A 71 -4.134 -7.467 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.184 -6.703 1.160 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.090 -4.646 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.976 -3.383 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.981 -4.521 1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.079 -4.915 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.233 -3.875 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.396 -5.432 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.174 -5.379 -2.204 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.642 -6.800 0.151 1.00 0.00 N ATOM 1119 CA HIS A 72 -8.961 -7.142 -0.354 1.00 0.00 C ATOM 1120 C HIS A 72 -9.782 -5.870 -0.513 1.00 0.00 C ATOM 1121 O HIS A 72 -9.881 -5.072 0.417 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.672 -8.126 0.581 1.00 0.00 C ATOM 1123 CG HIS A 72 -11.061 -8.470 0.138 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -11.291 -9.407 -0.838 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -12.245 -7.953 0.545 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.602 -9.438 -1.004 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -13.224 -8.573 -0.189 1.00 0.00 N ATOM 0 H HIS A 72 -7.652 -6.211 0.984 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.852 -7.629 -1.323 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.083 -9.041 0.649 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.714 -7.698 1.583 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.390 -7.197 1.303 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.109 -10.080 -1.709 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -14.229 -8.408 -0.127 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.352 -5.688 -1.691 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.094 -4.476 -2.007 1.00 0.00 C ATOM 1137 C ILE A 73 -12.401 -4.413 -1.232 1.00 0.00 C ATOM 1138 O ILE A 73 -13.153 -5.385 -1.174 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.398 -4.382 -3.512 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.110 -4.514 -4.320 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.095 -3.069 -3.835 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -10.316 -4.406 -5.812 1.00 0.00 C ATOM 0 H ILE A 73 -10.316 -6.368 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.464 -3.635 -1.717 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.065 -5.200 -3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.411 -3.741 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.647 -5.475 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.302 -3.020 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.032 -3.008 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.451 -2.236 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.357 -4.509 -6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -10.990 -5.196 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.750 -3.435 -6.050 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.665 -3.257 -0.649 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.893 -3.032 0.087 1.00 0.00 C ATOM 1156 C LEU A 74 -15.018 -2.715 -0.885 1.00 0.00 C ATOM 1157 O LEU A 74 -15.397 -1.559 -1.066 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.711 -1.892 1.091 1.00 0.00 C ATOM 1159 CG LEU A 74 -12.561 -2.088 2.079 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -12.471 -0.909 3.036 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.738 -3.393 2.839 1.00 0.00 C ATOM 0 H LEU A 74 -12.037 -2.453 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 74 -14.149 -3.935 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.546 -0.965 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.637 -1.769 1.652 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.626 -2.140 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.647 -1.067 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.298 0.006 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -13.404 -0.821 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.913 -3.521 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.679 -3.370 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.749 -4.225 2.135 1.00 0.00 H new ATOM 1173 N ALA A 75 -15.512 -3.749 -1.538 1.00 0.00 N ATOM 1174 CA ALA A 75 -16.533 -3.587 -2.559 1.00 0.00 C ATOM 1175 C ALA A 75 -17.738 -4.467 -2.267 1.00 0.00 C ATOM 1176 O ALA A 75 -17.768 -5.188 -1.266 1.00 0.00 O ATOM 1177 CB ALA A 75 -15.961 -3.903 -3.932 1.00 0.00 C ATOM 0 H ALA A 75 -15.223 -4.714 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.864 -2.549 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -16.737 -3.777 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.134 -3.226 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.602 -4.932 -3.948 1.00 0.00 H new ATOM 1183 N GLY A 76 -18.721 -4.413 -3.152 1.00 0.00 N ATOM 1184 CA GLY A 76 -19.960 -5.124 -2.932 1.00 0.00 C ATOM 1185 C GLY A 76 -21.065 -4.170 -2.545 1.00 0.00 C ATOM 1186 O GLY A 76 -22.129 -4.588 -2.087 1.00 0.00 O ATOM 0 H GLY A 76 -18.681 -3.885 -4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.240 -5.664 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -19.823 -5.867 -2.146 1.00 0.00 H new ATOM 1190 N ASP A 77 -20.786 -2.880 -2.737 1.00 0.00 N ATOM 1191 CA ASP A 77 -21.720 -1.800 -2.417 1.00 0.00 C ATOM 1192 C ASP A 77 -22.134 -1.854 -0.953 1.00 0.00 C ATOM 1193 O ASP A 77 -23.177 -2.410 -0.601 1.00 0.00 O ATOM 1194 CB ASP A 77 -22.949 -1.842 -3.333 1.00 0.00 C ATOM 1195 CG ASP A 77 -22.616 -1.512 -4.777 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -21.769 -2.208 -5.377 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -23.216 -0.565 -5.327 1.00 0.00 O ATOM 0 H ASP A 77 -19.900 -2.553 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 77 -21.206 -0.854 -2.589 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.398 -2.834 -3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.695 -1.137 -2.966 1.00 0.00 H new ATOM 1202 N GLU A 78 -21.294 -1.288 -0.102 1.00 0.00 N ATOM 1203 CA GLU A 78 -21.528 -1.295 1.332 1.00 0.00 C ATOM 1204 C GLU A 78 -22.157 0.027 1.760 1.00 0.00 C ATOM 1205 O GLU A 78 -21.993 1.047 1.083 1.00 0.00 O ATOM 1206 CB GLU A 78 -20.204 -1.535 2.071 1.00 0.00 C ATOM 1207 CG GLU A 78 -20.359 -1.806 3.559 1.00 0.00 C ATOM 1208 CD GLU A 78 -19.046 -2.171 4.224 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -18.711 -3.374 4.268 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -18.336 -1.256 4.692 1.00 0.00 O ATOM 0 H GLU A 78 -20.436 -0.814 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 78 -22.217 -2.101 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -19.693 -2.380 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -19.563 -0.663 1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -20.775 -0.923 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -21.074 -2.616 3.705 1.00 0.00 H new ATOM 1217 N GLY A 79 -22.890 0.005 2.863 1.00 0.00 N ATOM 1218 CA GLY A 79 -23.543 1.203 3.345 1.00 0.00 C ATOM 1219 C GLY A 79 -22.565 2.193 3.941 1.00 0.00 C ATOM 1220 O GLY A 79 -21.497 1.803 4.423 1.00 0.00 O ATOM 0 H GLY A 79 -23.044 -0.825 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.080 1.677 2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.285 0.932 4.096 1.00 0.00 H new ATOM 1224 N HIS A 80 -22.936 3.473 3.905 1.00 0.00 N ATOM 1225 CA HIS A 80 -22.101 4.553 4.429 1.00 0.00 C ATOM 1226 C HIS A 80 -20.774 4.627 3.678 1.00 0.00 C ATOM 1227 O HIS A 80 -19.745 4.138 4.155 1.00 0.00 O ATOM 1228 CB HIS A 80 -21.851 4.391 5.937 1.00 0.00 C ATOM 1229 CG HIS A 80 -23.097 4.442 6.771 1.00 0.00 C ATOM 1230 ND1 HIS A 80 -23.720 3.296 7.204 1.00 0.00 N ATOM 1231 CD2 HIS A 80 -23.782 5.516 7.230 1.00 0.00 C ATOM 1232 CE1 HIS A 80 -24.761 3.694 7.913 1.00 0.00 C ATOM 1233 NE2 HIS A 80 -24.841 5.031 7.957 1.00 0.00 N ATOM 0 H HIS A 80 -23.823 3.790 3.512 1.00 0.00 H new ATOM 0 HA HIS A 80 -22.642 5.487 4.276 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -21.348 3.440 6.111 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -21.172 5.176 6.269 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -23.542 6.555 7.057 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -25.459 3.026 8.396 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -25.552 5.582 8.438 1.00 0.00 H new ATOM 1241 N PRO A 81 -20.787 5.218 2.473 1.00 0.00 N ATOM 1242 CA PRO A 81 -19.589 5.339 1.641 1.00 0.00 C ATOM 1243 C PRO A 81 -18.534 6.230 2.286 1.00 0.00 C ATOM 1244 O PRO A 81 -17.345 5.927 2.239 1.00 0.00 O ATOM 1245 CB PRO A 81 -20.106 5.964 0.339 1.00 0.00 C ATOM 1246 CG PRO A 81 -21.390 6.625 0.709 1.00 0.00 C ATOM 1247 CD PRO A 81 -21.972 5.805 1.825 1.00 0.00 C ATOM 0 HA PRO A 81 -19.099 4.377 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -19.393 6.684 -0.063 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -20.260 5.206 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -21.221 7.654 1.028 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.069 6.662 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -22.545 6.420 2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -22.646 5.036 1.449 1.00 0.00 H new ATOM 1255 N HIS A 82 -18.981 7.320 2.899 1.00 0.00 N ATOM 1256 CA HIS A 82 -18.081 8.260 3.553 1.00 0.00 C ATOM 1257 C HIS A 82 -18.878 9.313 4.317 1.00 0.00 C ATOM 1258 O HIS A 82 -20.107 9.381 4.204 1.00 0.00 O ATOM 1259 CB HIS A 82 -17.158 8.946 2.530 1.00 0.00 C ATOM 1260 CG HIS A 82 -17.873 9.838 1.556 1.00 0.00 C ATOM 1261 ND1 HIS A 82 -17.780 11.205 1.636 1.00 0.00 N ATOM 1262 CD2 HIS A 82 -18.674 9.510 0.512 1.00 0.00 C ATOM 1263 CE1 HIS A 82 -18.518 11.676 0.647 1.00 0.00 C ATOM 1264 NE2 HIS A 82 -19.080 10.685 -0.062 1.00 0.00 N ATOM 0 H HIS A 82 -19.967 7.575 2.956 1.00 0.00 H new ATOM 0 HA HIS A 82 -17.463 7.699 4.254 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -16.414 9.535 3.066 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -16.617 8.180 1.974 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -18.941 8.513 0.194 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -18.652 12.727 0.436 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.691 10.787 -0.872 1.00 0.00 H new ATOM 1272 N GLY A 83 -18.172 10.119 5.092 1.00 0.00 N ATOM 1273 CA GLY A 83 -18.780 11.237 5.783 1.00 0.00 C ATOM 1274 C GLY A 83 -17.846 12.426 5.786 1.00 0.00 C ATOM 1275 O GLY A 83 -17.827 13.223 6.726 1.00 0.00 O ATOM 0 H GLY A 83 -17.171 10.016 5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.719 11.505 5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.020 10.952 6.807 1.00 0.00 H new ATOM 1279 N TRP A 84 -17.067 12.531 4.720 1.00 0.00 N ATOM 1280 CA TRP A 84 -16.025 13.537 4.612 1.00 0.00 C ATOM 1281 C TRP A 84 -16.527 14.739 3.815 1.00 0.00 C ATOM 1282 O TRP A 84 -17.279 14.582 2.849 1.00 0.00 O ATOM 1283 CB TRP A 84 -14.810 12.898 3.924 1.00 0.00 C ATOM 1284 CG TRP A 84 -13.609 13.785 3.799 1.00 0.00 C ATOM 1285 CD1 TRP A 84 -13.248 14.527 2.711 1.00 0.00 C ATOM 1286 CD2 TRP A 84 -12.598 14.006 4.789 1.00 0.00 C ATOM 1287 NE1 TRP A 84 -12.080 15.202 2.967 1.00 0.00 N ATOM 1288 CE2 TRP A 84 -11.660 14.899 4.235 1.00 0.00 C ATOM 1289 CE3 TRP A 84 -12.393 13.539 6.092 1.00 0.00 C ATOM 1290 CZ2 TRP A 84 -10.538 15.332 4.936 1.00 0.00 C ATOM 1291 CZ3 TRP A 84 -11.280 13.972 6.788 1.00 0.00 C ATOM 1292 CH2 TRP A 84 -10.366 14.861 6.209 1.00 0.00 C ATOM 0 H TRP A 84 -17.141 11.920 3.906 1.00 0.00 H new ATOM 0 HA TRP A 84 -15.743 13.893 5.603 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -14.526 12.005 4.480 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -15.107 12.572 2.927 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -13.801 14.576 1.784 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -11.603 15.828 2.318 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -13.092 12.852 6.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -9.829 16.015 4.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -11.113 13.619 7.795 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -9.507 15.182 6.780 1.00 0.00 H new ATOM 1303 N PRO A 85 -16.130 15.957 4.213 1.00 0.00 N ATOM 1304 CA PRO A 85 -16.422 17.164 3.454 1.00 0.00 C ATOM 1305 C PRO A 85 -15.468 17.315 2.279 1.00 0.00 C ATOM 1306 O PRO A 85 -14.354 17.820 2.432 1.00 0.00 O ATOM 1307 CB PRO A 85 -16.215 18.305 4.466 1.00 0.00 C ATOM 1308 CG PRO A 85 -15.868 17.652 5.768 1.00 0.00 C ATOM 1309 CD PRO A 85 -15.396 16.264 5.445 1.00 0.00 C ATOM 0 HA PRO A 85 -17.426 17.152 3.030 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -15.418 18.973 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.118 18.909 4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -15.091 18.213 6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.735 17.622 6.428 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -14.317 16.227 5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.631 15.560 6.243 1.00 0.00 H new ATOM 1317 N GLY A 86 -15.888 16.845 1.115 1.00 0.00 N ATOM 1318 CA GLY A 86 -15.036 16.899 -0.053 1.00 0.00 C ATOM 1319 C GLY A 86 -15.682 16.277 -1.270 1.00 0.00 C ATOM 1320 O GLY A 86 -15.406 15.127 -1.611 1.00 0.00 O ATOM 0 H GLY A 86 -16.805 16.427 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.787 17.938 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.099 16.384 0.160 1.00 0.00 H new ATOM 1324 N PHE A 87 -16.558 17.034 -1.915 1.00 0.00 N ATOM 1325 CA PHE A 87 -17.203 16.584 -3.138 1.00 0.00 C ATOM 1326 C PHE A 87 -16.249 16.730 -4.320 1.00 0.00 C ATOM 1327 O PHE A 87 -15.315 17.538 -4.277 1.00 0.00 O ATOM 1328 CB PHE A 87 -18.486 17.383 -3.396 1.00 0.00 C ATOM 1329 CG PHE A 87 -18.262 18.856 -3.621 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -18.190 19.732 -2.550 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -18.124 19.363 -4.904 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -17.985 21.084 -2.753 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -17.919 20.715 -5.113 1.00 0.00 C ATOM 1334 CZ PHE A 87 -17.849 21.577 -4.036 1.00 0.00 C ATOM 0 H PHE A 87 -16.838 17.966 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 87 -17.466 15.533 -3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -18.991 16.966 -4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -19.157 17.255 -2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.295 19.354 -1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -18.177 18.694 -5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -17.931 21.755 -1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.814 21.096 -6.118 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.688 22.633 -4.197 1.00 0.00 H new ATOM 1344 N ARG A 88 -16.480 15.953 -5.367 1.00 0.00 N ATOM 1345 CA ARG A 88 -15.637 16.014 -6.550 1.00 0.00 C ATOM 1346 C ARG A 88 -16.393 16.636 -7.719 1.00 0.00 C ATOM 1347 O ARG A 88 -17.196 15.976 -8.382 1.00 0.00 O ATOM 1348 CB ARG A 88 -15.133 14.621 -6.929 1.00 0.00 C ATOM 1349 CG ARG A 88 -14.128 14.625 -8.073 1.00 0.00 C ATOM 1350 CD ARG A 88 -13.707 13.214 -8.444 1.00 0.00 C ATOM 1351 NE ARG A 88 -12.731 13.196 -9.531 1.00 0.00 N ATOM 1352 CZ ARG A 88 -12.843 12.431 -10.617 1.00 0.00 C ATOM 1353 NH1 ARG A 88 -13.924 11.680 -10.800 1.00 0.00 N ATOM 1354 NH2 ARG A 88 -11.882 12.434 -11.528 1.00 0.00 N ATOM 0 H ARG A 88 -17.241 15.276 -5.421 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.777 16.642 -6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.673 14.160 -6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.984 13.999 -7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.565 15.116 -8.942 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.251 15.205 -7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.283 12.722 -7.569 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.586 12.640 -8.738 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.916 13.805 -9.454 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.673 11.687 -10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.005 11.097 -11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.058 13.021 -11.398 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.966 11.849 -12.360 1.00 0.00 H new ATOM 1368 N ARG A 89 -16.148 17.916 -7.946 1.00 0.00 N ATOM 1369 CA ARG A 89 -16.728 18.628 -9.074 1.00 0.00 C ATOM 1370 C ARG A 89 -15.678 19.505 -9.729 1.00 0.00 C ATOM 1371 O ARG A 89 -14.886 20.153 -9.039 1.00 0.00 O ATOM 1372 CB ARG A 89 -17.917 19.490 -8.640 1.00 0.00 C ATOM 1373 CG ARG A 89 -19.249 18.759 -8.650 1.00 0.00 C ATOM 1374 CD ARG A 89 -20.391 19.707 -8.324 1.00 0.00 C ATOM 1375 NE ARG A 89 -21.700 19.148 -8.666 1.00 0.00 N ATOM 1376 CZ ARG A 89 -22.838 19.845 -8.611 1.00 0.00 C ATOM 1377 NH1 ARG A 89 -22.833 21.102 -8.189 1.00 0.00 N ATOM 1378 NH2 ARG A 89 -23.983 19.288 -8.981 1.00 0.00 N ATOM 0 H ARG A 89 -15.544 18.489 -7.357 1.00 0.00 H new ATOM 0 HA ARG A 89 -17.086 17.886 -9.788 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -17.730 19.869 -7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -17.985 20.355 -9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -19.414 18.308 -9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -19.228 17.946 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -20.368 19.946 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -20.247 20.643 -8.864 1.00 0.00 H new ATOM 0 HE ARG A 89 -21.745 18.173 -8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -21.957 21.541 -7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -23.705 21.630 -8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -23.998 18.323 -9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -24.849 19.825 -8.937 1.00 0.00 H new ATOM 1392 N ARG A 90 -15.668 19.510 -11.053 1.00 0.00 N ATOM 1393 CA ARG A 90 -14.753 20.344 -11.816 1.00 0.00 C ATOM 1394 C ARG A 90 -15.133 20.286 -13.288 1.00 0.00 C ATOM 1395 O ARG A 90 -15.629 19.264 -13.768 1.00 0.00 O ATOM 1396 CB ARG A 90 -13.296 19.889 -11.617 1.00 0.00 C ATOM 1397 CG ARG A 90 -12.873 18.722 -12.499 1.00 0.00 C ATOM 1398 CD ARG A 90 -11.587 18.085 -11.996 1.00 0.00 C ATOM 1399 NE ARG A 90 -10.886 17.331 -13.042 1.00 0.00 N ATOM 1400 CZ ARG A 90 -11.228 16.112 -13.461 1.00 0.00 C ATOM 1401 NH1 ARG A 90 -12.323 15.516 -13.005 1.00 0.00 N ATOM 1402 NH2 ARG A 90 -10.473 15.497 -14.363 1.00 0.00 N ATOM 0 H ARG A 90 -16.290 18.940 -11.626 1.00 0.00 H new ATOM 0 HA ARG A 90 -14.830 21.372 -11.461 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.635 20.734 -11.812 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.156 19.609 -10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.666 17.975 -12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.733 19.069 -13.523 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.928 18.862 -11.609 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.817 17.419 -11.164 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.078 17.772 -13.481 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.916 15.991 -12.324 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.571 14.583 -13.335 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.640 15.957 -14.729 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.726 14.565 -14.690 1.00 0.00 H new ATOM 1416 N HIS A 91 -14.922 21.381 -13.993 1.00 0.00 N ATOM 1417 CA HIS A 91 -15.199 21.426 -15.419 1.00 0.00 C ATOM 1418 C HIS A 91 -13.901 21.523 -16.202 1.00 0.00 C ATOM 1419 O HIS A 91 -13.148 22.489 -16.063 1.00 0.00 O ATOM 1420 CB HIS A 91 -16.126 22.596 -15.772 1.00 0.00 C ATOM 1421 CG HIS A 91 -17.585 22.268 -15.641 1.00 0.00 C ATOM 1422 ND1 HIS A 91 -18.418 22.980 -14.810 1.00 0.00 N ATOM 1423 CD2 HIS A 91 -18.307 21.314 -16.278 1.00 0.00 C ATOM 1424 CE1 HIS A 91 -19.620 22.447 -14.963 1.00 0.00 C ATOM 1425 NE2 HIS A 91 -19.603 21.437 -15.841 1.00 0.00 N ATOM 0 H HIS A 91 -14.560 22.251 -13.604 1.00 0.00 H new ATOM 0 HA HIS A 91 -15.710 20.503 -15.692 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -15.893 23.441 -15.125 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -15.924 22.913 -16.795 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -17.934 20.595 -16.992 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -20.505 22.785 -14.444 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -20.399 20.868 -16.130 1.00 0.00 H new ATOM 1433 N ARG A 92 -13.634 20.500 -16.999 1.00 0.00 N ATOM 1434 CA ARG A 92 -12.431 20.462 -17.813 1.00 0.00 C ATOM 1435 C ARG A 92 -12.612 21.314 -19.059 1.00 0.00 C ATOM 1436 O ARG A 92 -13.637 21.231 -19.739 1.00 0.00 O ATOM 1437 CB ARG A 92 -12.072 19.018 -18.182 1.00 0.00 C ATOM 1438 CG ARG A 92 -13.226 18.220 -18.770 1.00 0.00 C ATOM 1439 CD ARG A 92 -12.805 16.799 -19.117 1.00 0.00 C ATOM 1440 NE ARG A 92 -13.954 15.958 -19.447 1.00 0.00 N ATOM 1441 CZ ARG A 92 -13.865 14.750 -20.003 1.00 0.00 C ATOM 1442 NH1 ARG A 92 -12.681 14.264 -20.352 1.00 0.00 N ATOM 1443 NH2 ARG A 92 -14.964 14.036 -20.220 1.00 0.00 N ATOM 0 H ARG A 92 -14.237 19.683 -17.099 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.605 20.874 -17.233 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.251 19.031 -18.899 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.708 18.507 -17.291 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.050 18.192 -18.057 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.596 18.720 -19.665 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.116 16.820 -19.961 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.266 16.364 -18.276 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.885 16.319 -19.238 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.837 14.815 -20.195 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.615 13.339 -20.777 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.876 14.412 -19.961 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.896 13.112 -20.646 1.00 0.00 H new ATOM 1457 N PHE A 93 -11.621 22.145 -19.334 1.00 0.00 N ATOM 1458 CA PHE A 93 -11.681 23.069 -20.456 1.00 0.00 C ATOM 1459 C PHE A 93 -11.339 22.353 -21.757 1.00 0.00 C ATOM 1460 O PHE A 93 -10.679 21.313 -21.743 1.00 0.00 O ATOM 1461 CB PHE A 93 -10.720 24.238 -20.226 1.00 0.00 C ATOM 1462 CG PHE A 93 -10.931 24.935 -18.909 1.00 0.00 C ATOM 1463 CD1 PHE A 93 -11.944 25.867 -18.756 1.00 0.00 C ATOM 1464 CD2 PHE A 93 -10.120 24.650 -17.821 1.00 0.00 C ATOM 1465 CE1 PHE A 93 -12.143 26.505 -17.546 1.00 0.00 C ATOM 1466 CE2 PHE A 93 -10.314 25.282 -16.609 1.00 0.00 C ATOM 1467 CZ PHE A 93 -11.327 26.210 -16.469 1.00 0.00 C ATOM 0 H PHE A 93 -10.759 22.199 -18.792 1.00 0.00 H new ATOM 0 HA PHE A 93 -12.697 23.457 -20.533 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -9.695 23.871 -20.274 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.838 24.960 -21.034 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -12.587 26.098 -19.593 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -9.327 23.924 -17.923 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -12.934 27.233 -17.442 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -9.674 25.051 -15.771 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.482 26.704 -15.521 1.00 0.00 H new ATOM 1477 N GLY A 94 -11.795 22.905 -22.870 1.00 0.00 N ATOM 1478 CA GLY A 94 -11.528 22.300 -24.156 1.00 0.00 C ATOM 1479 C GLY A 94 -11.752 23.267 -25.295 1.00 0.00 C ATOM 1480 O GLY A 94 -12.177 24.406 -25.074 1.00 0.00 O ATOM 0 H GLY A 94 -12.346 23.763 -22.905 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.499 21.942 -24.181 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.171 21.430 -24.288 1.00 0.00 H new ATOM 1484 N LYS A 95 -11.465 22.817 -26.507 1.00 0.00 N ATOM 1485 CA LYS A 95 -11.647 23.635 -27.699 1.00 0.00 C ATOM 1486 C LYS A 95 -13.125 23.912 -27.950 1.00 0.00 C ATOM 1487 O LYS A 95 -13.985 23.084 -27.643 1.00 0.00 O ATOM 1488 CB LYS A 95 -11.046 22.937 -28.922 1.00 0.00 C ATOM 1489 CG LYS A 95 -11.668 21.577 -29.209 1.00 0.00 C ATOM 1490 CD LYS A 95 -11.164 20.996 -30.521 1.00 0.00 C ATOM 1491 CE LYS A 95 -9.661 20.764 -30.495 1.00 0.00 C ATOM 1492 NZ LYS A 95 -9.148 20.311 -31.816 1.00 0.00 N ATOM 0 H LYS A 95 -11.102 21.882 -26.693 1.00 0.00 H new ATOM 0 HA LYS A 95 -11.134 24.583 -27.534 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.172 23.577 -29.795 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.974 22.813 -28.770 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.436 20.891 -28.394 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.753 21.673 -29.246 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.674 20.054 -30.721 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.413 21.673 -31.338 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.156 21.686 -30.206 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.422 20.018 -29.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.120 20.164 -31.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.611 19.418 -32.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.354 21.034 -32.535 1.00 0.00 H new ATOM 1506 N ARG A 96 -13.412 25.079 -28.497 1.00 0.00 N ATOM 1507 CA ARG A 96 -14.768 25.419 -28.897 1.00 0.00 C ATOM 1508 C ARG A 96 -15.076 24.845 -30.274 1.00 0.00 C ATOM 1509 O ARG A 96 -14.181 24.696 -31.110 1.00 0.00 O ATOM 1510 CB ARG A 96 -14.960 26.936 -28.918 1.00 0.00 C ATOM 1511 CG ARG A 96 -13.948 27.666 -29.787 1.00 0.00 C ATOM 1512 CD ARG A 96 -14.310 29.130 -29.966 1.00 0.00 C ATOM 1513 NE ARG A 96 -14.423 29.844 -28.694 1.00 0.00 N ATOM 1514 CZ ARG A 96 -14.259 31.159 -28.565 1.00 0.00 C ATOM 1515 NH1 ARG A 96 -13.909 31.890 -29.619 1.00 0.00 N ATOM 1516 NH2 ARG A 96 -14.423 31.742 -27.385 1.00 0.00 N ATOM 0 H ARG A 96 -12.723 25.810 -28.675 1.00 0.00 H new ATOM 0 HA ARG A 96 -15.454 24.987 -28.168 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -15.964 27.162 -29.277 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.893 27.316 -27.899 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.959 27.589 -29.336 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.892 27.184 -30.763 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.553 29.614 -30.584 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -15.255 29.203 -30.504 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.640 29.303 -27.857 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.767 31.443 -30.525 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.783 32.898 -29.522 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.676 31.183 -26.571 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -14.296 32.750 -27.292 1.00 0.00 H new ATOM 1530 N ALA A 97 -16.337 24.524 -30.508 1.00 0.00 N ATOM 1531 CA ALA A 97 -16.760 24.032 -31.808 1.00 0.00 C ATOM 1532 C ALA A 97 -16.873 25.189 -32.799 1.00 0.00 C ATOM 1533 O ALA A 97 -17.815 25.981 -32.740 1.00 0.00 O ATOM 1534 CB ALA A 97 -18.084 23.292 -31.690 1.00 0.00 C ATOM 0 H ALA A 97 -17.084 24.595 -29.817 1.00 0.00 H new ATOM 0 HA ALA A 97 -16.011 23.333 -32.179 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -18.387 22.930 -32.672 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -17.969 22.447 -31.011 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -18.846 23.968 -31.302 1.00 0.00 H new ATOM 1540 N LEU A 98 -15.892 25.301 -33.686 1.00 0.00 N ATOM 1541 CA LEU A 98 -15.886 26.361 -34.687 1.00 0.00 C ATOM 1542 C LEU A 98 -16.532 25.874 -35.978 1.00 0.00 C ATOM 1543 O LEU A 98 -16.331 24.728 -36.386 1.00 0.00 O ATOM 1544 CB LEU A 98 -14.456 26.865 -34.960 1.00 0.00 C ATOM 1545 CG LEU A 98 -13.492 25.859 -35.603 1.00 0.00 C ATOM 1546 CD1 LEU A 98 -12.301 26.588 -36.204 1.00 0.00 C ATOM 1547 CD2 LEU A 98 -13.013 24.825 -34.592 1.00 0.00 C ATOM 0 H LEU A 98 -15.091 24.671 -33.733 1.00 0.00 H new ATOM 0 HA LEU A 98 -16.466 27.196 -34.295 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.519 27.740 -35.607 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -14.024 27.197 -34.016 1.00 0.00 H new ATOM 0 HG LEU A 98 -14.031 25.335 -36.392 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -11.623 25.865 -36.658 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.648 27.287 -36.965 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.776 27.135 -35.421 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.332 24.128 -35.080 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.495 25.328 -33.775 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -13.869 24.279 -34.196 1.00 0.00 H new ATOM 1559 N GLU A 99 -17.318 26.757 -36.597 1.00 0.00 N ATOM 1560 CA GLU A 99 -18.034 26.457 -37.835 1.00 0.00 C ATOM 1561 C GLU A 99 -19.038 25.329 -37.632 1.00 0.00 C ATOM 1562 O GLU A 99 -18.695 24.148 -37.701 1.00 0.00 O ATOM 1563 CB GLU A 99 -17.066 26.107 -38.964 1.00 0.00 C ATOM 1564 CG GLU A 99 -16.192 27.270 -39.399 1.00 0.00 C ATOM 1565 CD GLU A 99 -15.201 26.879 -40.470 1.00 0.00 C ATOM 1566 OE1 GLU A 99 -15.639 26.534 -41.592 1.00 0.00 O ATOM 1567 OE2 GLU A 99 -13.982 26.917 -40.200 1.00 0.00 O ATOM 0 H GLU A 99 -17.475 27.704 -36.251 1.00 0.00 H new ATOM 0 HA GLU A 99 -18.581 27.356 -38.119 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -16.428 25.284 -38.642 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -17.636 25.751 -39.822 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -16.824 28.077 -39.770 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.654 27.659 -38.535 1.00 0.00 H new ATOM 1574 N HIS A 100 -20.279 25.700 -37.359 1.00 0.00 N ATOM 1575 CA HIS A 100 -21.329 24.719 -37.159 1.00 0.00 C ATOM 1576 C HIS A 100 -21.943 24.331 -38.499 1.00 0.00 C ATOM 1577 O HIS A 100 -22.010 25.148 -39.422 1.00 0.00 O ATOM 1578 CB HIS A 100 -22.403 25.257 -36.210 1.00 0.00 C ATOM 1579 CG HIS A 100 -23.226 24.176 -35.579 1.00 0.00 C ATOM 1580 ND1 HIS A 100 -22.742 23.443 -34.524 1.00 0.00 N ATOM 1581 CD2 HIS A 100 -24.471 23.740 -35.887 1.00 0.00 C ATOM 1582 CE1 HIS A 100 -23.695 22.583 -34.213 1.00 0.00 C ATOM 1583 NE2 HIS A 100 -24.762 22.723 -35.012 1.00 0.00 N ATOM 0 H HIS A 100 -20.581 26.670 -37.271 1.00 0.00 H new ATOM 0 HA HIS A 100 -20.892 23.831 -36.703 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -21.925 25.845 -35.427 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -23.060 25.931 -36.759 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -25.111 24.119 -36.670 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -23.624 21.858 -33.415 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -25.624 22.179 -34.977 1.00 0.00 H new ATOM 1591 N HIS A 101 -22.376 23.086 -38.601 1.00 0.00 N ATOM 1592 CA HIS A 101 -22.900 22.558 -39.852 1.00 0.00 C ATOM 1593 C HIS A 101 -24.374 22.899 -40.016 1.00 0.00 C ATOM 1594 O HIS A 101 -25.204 22.561 -39.169 1.00 0.00 O ATOM 1595 CB HIS A 101 -22.707 21.040 -39.917 1.00 0.00 C ATOM 1596 CG HIS A 101 -21.272 20.613 -39.824 1.00 0.00 C ATOM 1597 ND1 HIS A 101 -20.555 20.259 -40.941 1.00 0.00 N ATOM 1598 CD2 HIS A 101 -20.475 20.511 -38.734 1.00 0.00 C ATOM 1599 CE1 HIS A 101 -19.344 19.955 -40.506 1.00 0.00 C ATOM 1600 NE2 HIS A 101 -19.247 20.093 -39.178 1.00 0.00 N ATOM 0 H HIS A 101 -22.375 22.418 -37.830 1.00 0.00 H new ATOM 0 HA HIS A 101 -22.345 23.023 -40.667 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -23.269 20.576 -39.107 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -23.128 20.668 -40.851 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -20.753 20.719 -37.711 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -18.533 19.635 -41.143 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -18.420 19.921 -38.607 1.00 0.00 H new ATOM 1608 N HIS A 102 -24.692 23.575 -41.108 1.00 0.00 N ATOM 1609 CA HIS A 102 -26.069 23.939 -41.413 1.00 0.00 C ATOM 1610 C HIS A 102 -26.713 22.883 -42.307 1.00 0.00 C ATOM 1611 O HIS A 102 -27.939 22.715 -42.313 1.00 0.00 O ATOM 1612 CB HIS A 102 -26.139 25.328 -42.071 1.00 0.00 C ATOM 1613 CG HIS A 102 -25.267 25.493 -43.286 1.00 0.00 C ATOM 1614 ND1 HIS A 102 -23.925 25.672 -43.368 1.00 0.00 N flip ATOM 1615 CD2 HIS A 102 -25.794 25.489 -44.554 1.00 0.00 C flip ATOM 1616 CE1 HIS A 102 -23.619 25.776 -44.701 1.00 0.00 C flip ATOM 1617 NE2 HIS A 102 -24.771 25.660 -45.374 1.00 0.00 N flip ATOM 0 H HIS A 102 -24.012 23.885 -41.802 1.00 0.00 H new ATOM 0 HA HIS A 102 -26.625 23.984 -40.477 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -27.173 25.530 -42.352 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -25.857 26.079 -41.333 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -26.832 25.370 -44.826 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -22.637 25.923 -45.126 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -24.849 25.699 -46.390 1.00 0.00 H new ATOM 1625 N HIS A 103 -25.868 22.167 -43.050 1.00 0.00 N ATOM 1626 CA HIS A 103 -26.308 21.070 -43.916 1.00 0.00 C ATOM 1627 C HIS A 103 -27.269 21.556 -45.001 1.00 0.00 C ATOM 1628 O HIS A 103 -27.423 22.757 -45.226 1.00 0.00 O ATOM 1629 CB HIS A 103 -26.963 19.955 -43.090 1.00 0.00 C ATOM 1630 CG HIS A 103 -26.009 19.205 -42.212 1.00 0.00 C ATOM 1631 ND1 HIS A 103 -26.172 19.157 -40.846 1.00 0.00 N ATOM 1632 CD2 HIS A 103 -24.922 18.468 -42.552 1.00 0.00 C ATOM 1633 CE1 HIS A 103 -25.191 18.396 -40.392 1.00 0.00 C ATOM 1634 NE2 HIS A 103 -24.409 17.958 -41.388 1.00 0.00 N ATOM 0 H HIS A 103 -24.861 22.330 -43.069 1.00 0.00 H new ATOM 0 HA HIS A 103 -25.421 20.671 -44.409 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -27.747 20.390 -42.469 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -27.447 19.251 -43.768 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -24.535 18.313 -43.548 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -25.039 18.157 -39.350 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -23.588 17.359 -41.297 1.00 0.00 H new ATOM 1642 N HIS A 104 -27.907 20.616 -45.676 1.00 0.00 N ATOM 1643 CA HIS A 104 -28.825 20.942 -46.758 1.00 0.00 C ATOM 1644 C HIS A 104 -30.145 20.199 -46.579 1.00 0.00 C ATOM 1645 O HIS A 104 -30.412 19.644 -45.510 1.00 0.00 O ATOM 1646 CB HIS A 104 -28.184 20.606 -48.116 1.00 0.00 C ATOM 1647 CG HIS A 104 -27.700 19.190 -48.246 1.00 0.00 C ATOM 1648 ND1 HIS A 104 -26.416 18.839 -47.906 1.00 0.00 N ATOM 1649 CD2 HIS A 104 -28.355 18.090 -48.690 1.00 0.00 C ATOM 1650 CE1 HIS A 104 -26.319 17.543 -48.149 1.00 0.00 C ATOM 1651 NE2 HIS A 104 -27.467 17.045 -48.625 1.00 0.00 N ATOM 0 H HIS A 104 -27.807 19.617 -45.495 1.00 0.00 H new ATOM 0 HA HIS A 104 -29.034 22.011 -46.733 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -28.911 20.801 -48.904 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -27.344 21.280 -48.283 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -29.379 18.044 -49.030 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -25.426 16.959 -47.984 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -27.647 16.076 -48.888 1.00 0.00 H new ATOM 1659 N HIS A 105 -30.976 20.214 -47.609 1.00 0.00 N ATOM 1660 CA HIS A 105 -32.246 19.504 -47.579 1.00 0.00 C ATOM 1661 C HIS A 105 -32.390 18.630 -48.820 1.00 0.00 C ATOM 1662 O HIS A 105 -32.452 17.390 -48.669 1.00 0.00 O ATOM 1663 CB HIS A 105 -33.433 20.477 -47.437 1.00 0.00 C ATOM 1664 CG HIS A 105 -33.478 21.583 -48.453 1.00 0.00 C ATOM 1665 ND1 HIS A 105 -32.816 22.771 -48.249 1.00 0.00 N ATOM 1666 CD2 HIS A 105 -34.126 21.640 -49.643 1.00 0.00 C ATOM 1667 CE1 HIS A 105 -33.072 23.516 -49.309 1.00 0.00 C ATOM 1668 NE2 HIS A 105 -33.859 22.873 -50.180 1.00 0.00 N ATOM 1669 OXT HIS A 105 -32.384 19.179 -49.945 1.00 0.00 O ATOM 0 H HIS A 105 -30.793 20.712 -48.480 1.00 0.00 H new ATOM 0 HA HIS A 105 -32.256 18.858 -46.701 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -34.360 19.907 -47.503 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -33.402 20.920 -46.442 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -34.735 20.864 -50.083 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -32.694 24.517 -49.455 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -34.196 23.232 -51.073 1.00 0.00 H new TER 1677 HIS A 105