USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 ASN : amide:sc= -1.22! C(o=-4.8!,f=-14!) USER MOD Set 1.2: A 16 ASN :FLIP amide:sc= -3.75! C(o=-5.9!,f=-4.8!) USER MOD Set 1.3: A 23 THR OG1 : rot -66:sc= 0.207 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.239 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 41:sc= 0.234 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.363 K(o=0.36,f=-4!) USER MOD Single : A 18 THR OG1 : rot 80:sc= 1.06 USER MOD Single : A 21 SER OG : rot 141:sc= -0.236 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0209) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.0225 (180deg=-0.265) USER MOD Single : A 32 SER OG : rot 24:sc= 0.21 USER MOD Single : A 34 SER OG : rot -39:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.308 K(o=0.31,f=-0.81) USER MOD Single : A 38 ASN : amide:sc= -4.67! C(o=-4.7!,f=-5.6!) USER MOD Single : A 39 SER OG : rot 170:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -63:sc= -0.294 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0106) USER MOD Single : A 52 SER OG : rot 89:sc= 0.748 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 175:sc= -0.0983 (180deg=-0.166) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 36:sc= 0.226 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.4 K(o=-2.4,f=-3.9!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 75 THR OG1 : rot 81:sc= 0.535 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -53:sc= 0.0712 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0265 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0301 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.643 33.040 -3.222 1.00 0.00 N ATOM 2 CA GLY A 1 -25.489 33.433 -4.610 1.00 0.00 C ATOM 3 C GLY A 1 -25.633 32.262 -5.563 1.00 0.00 C ATOM 4 O GLY A 1 -26.585 32.199 -6.340 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.536 33.875 -2.611 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.587 32.626 -3.081 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.917 32.337 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.234 34.191 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.510 33.892 -4.748 1.00 0.00 H new ATOM 8 N SER A 2 -24.684 31.333 -5.504 1.00 0.00 N ATOM 9 CA SER A 2 -24.706 30.162 -6.373 1.00 0.00 C ATOM 10 C SER A 2 -23.915 29.013 -5.755 1.00 0.00 C ATOM 11 O SER A 2 -22.950 29.232 -5.023 1.00 0.00 O ATOM 12 CB SER A 2 -24.133 30.510 -7.748 1.00 0.00 C ATOM 13 OG SER A 2 -24.828 31.600 -8.329 1.00 0.00 O ATOM 0 H SER A 2 -23.891 31.368 -4.864 1.00 0.00 H new ATOM 0 HA SER A 2 -25.742 29.845 -6.489 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.076 30.758 -7.653 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.199 29.642 -8.403 1.00 0.00 H new ATOM 0 HG SER A 2 -24.442 31.804 -9.206 1.00 0.00 H new ATOM 19 N SER A 3 -24.332 27.787 -6.056 1.00 0.00 N ATOM 20 CA SER A 3 -23.665 26.602 -5.528 1.00 0.00 C ATOM 21 C SER A 3 -22.174 26.629 -5.850 1.00 0.00 C ATOM 22 O SER A 3 -21.705 27.483 -6.600 1.00 0.00 O ATOM 23 CB SER A 3 -24.300 25.335 -6.104 1.00 0.00 C ATOM 24 OG SER A 3 -25.442 24.952 -5.357 1.00 0.00 O ATOM 0 H SER A 3 -25.128 27.588 -6.662 1.00 0.00 H new ATOM 0 HA SER A 3 -23.785 26.600 -4.445 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.582 25.506 -7.143 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.571 24.525 -6.100 1.00 0.00 H new ATOM 0 HG SER A 3 -25.831 24.141 -5.746 1.00 0.00 H new ATOM 30 N GLY A 4 -21.434 25.686 -5.274 1.00 0.00 N ATOM 31 CA GLY A 4 -20.004 25.618 -5.511 1.00 0.00 C ATOM 32 C GLY A 4 -19.421 24.264 -5.159 1.00 0.00 C ATOM 33 O GLY A 4 -19.055 24.018 -4.010 1.00 0.00 O ATOM 0 H GLY A 4 -21.799 24.968 -4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.802 25.835 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.505 26.389 -4.924 1.00 0.00 H new ATOM 37 N SER A 5 -19.338 23.382 -6.150 1.00 0.00 N ATOM 38 CA SER A 5 -18.801 22.043 -5.939 1.00 0.00 C ATOM 39 C SER A 5 -17.319 21.989 -6.297 1.00 0.00 C ATOM 40 O SER A 5 -16.944 22.141 -7.459 1.00 0.00 O ATOM 41 CB SER A 5 -19.576 21.022 -6.773 1.00 0.00 C ATOM 42 OG SER A 5 -19.682 21.441 -8.123 1.00 0.00 O ATOM 0 H SER A 5 -19.636 23.571 -7.107 1.00 0.00 H new ATOM 0 HA SER A 5 -18.911 21.797 -4.883 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.075 20.055 -6.727 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.572 20.885 -6.352 1.00 0.00 H new ATOM 0 HG SER A 5 -18.830 21.828 -8.413 1.00 0.00 H new ATOM 48 N SER A 6 -16.480 21.770 -5.289 1.00 0.00 N ATOM 49 CA SER A 6 -15.039 21.699 -5.495 1.00 0.00 C ATOM 50 C SER A 6 -14.457 20.448 -4.844 1.00 0.00 C ATOM 51 O SER A 6 -14.795 20.111 -3.710 1.00 0.00 O ATOM 52 CB SER A 6 -14.359 22.947 -4.927 1.00 0.00 C ATOM 53 OG SER A 6 -12.970 22.943 -5.207 1.00 0.00 O ATOM 0 H SER A 6 -16.774 21.639 -4.321 1.00 0.00 H new ATOM 0 HA SER A 6 -14.853 21.649 -6.568 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.816 23.840 -5.353 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.516 22.992 -3.849 1.00 0.00 H new ATOM 0 HG SER A 6 -12.559 23.751 -4.835 1.00 0.00 H new ATOM 59 N GLY A 7 -13.580 19.763 -5.571 1.00 0.00 N ATOM 60 CA GLY A 7 -12.965 18.556 -5.049 1.00 0.00 C ATOM 61 C GLY A 7 -12.688 17.532 -6.131 1.00 0.00 C ATOM 62 O GLY A 7 -12.766 17.840 -7.321 1.00 0.00 O ATOM 0 H GLY A 7 -13.284 20.022 -6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.031 18.814 -4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.618 18.116 -4.295 1.00 0.00 H new ATOM 66 N ARG A 8 -12.360 16.312 -5.719 1.00 0.00 N ATOM 67 CA ARG A 8 -12.067 15.240 -6.662 1.00 0.00 C ATOM 68 C ARG A 8 -12.719 13.933 -6.221 1.00 0.00 C ATOM 69 O ARG A 8 -12.807 13.644 -5.027 1.00 0.00 O ATOM 70 CB ARG A 8 -10.555 15.048 -6.795 1.00 0.00 C ATOM 71 CG ARG A 8 -9.894 14.527 -5.529 1.00 0.00 C ATOM 72 CD ARG A 8 -9.765 15.617 -4.477 1.00 0.00 C ATOM 73 NE ARG A 8 -8.599 15.418 -3.621 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.369 15.787 -3.958 1.00 0.00 C ATOM 75 NH1 ARG A 8 -7.145 16.373 -5.126 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.359 15.572 -3.125 1.00 0.00 N ATOM 0 H ARG A 8 -12.291 16.041 -4.738 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.478 15.522 -7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.356 14.353 -7.611 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.099 16.000 -7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.478 13.699 -5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.906 14.133 -5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.693 16.587 -4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.666 15.637 -3.863 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.737 14.971 -2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.919 16.542 -5.769 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.199 16.655 -5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.527 15.123 -2.225 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.414 15.856 -3.385 1.00 0.00 H new ATOM 90 N TYR A 9 -13.175 13.149 -7.191 1.00 0.00 N ATOM 91 CA TYR A 9 -13.823 11.875 -6.902 1.00 0.00 C ATOM 92 C TYR A 9 -12.925 10.706 -7.297 1.00 0.00 C ATOM 93 O TYR A 9 -12.095 10.804 -8.201 1.00 0.00 O ATOM 94 CB TYR A 9 -15.158 11.778 -7.641 1.00 0.00 C ATOM 95 CG TYR A 9 -16.069 12.962 -7.403 1.00 0.00 C ATOM 96 CD1 TYR A 9 -16.843 13.047 -6.252 1.00 0.00 C ATOM 97 CD2 TYR A 9 -16.156 13.994 -8.329 1.00 0.00 C ATOM 98 CE1 TYR A 9 -17.677 14.126 -6.031 1.00 0.00 C ATOM 99 CE2 TYR A 9 -16.986 15.078 -8.115 1.00 0.00 C ATOM 100 CZ TYR A 9 -17.744 15.139 -6.965 1.00 0.00 C ATOM 101 OH TYR A 9 -18.573 16.216 -6.749 1.00 0.00 O ATOM 0 H TYR A 9 -13.108 13.373 -8.184 1.00 0.00 H new ATOM 0 HA TYR A 9 -14.005 11.825 -5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.966 11.687 -8.710 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -15.670 10.868 -7.330 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -16.792 12.256 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.565 13.948 -9.232 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.273 14.176 -5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.041 15.873 -8.844 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.502 16.840 -7.501 1.00 0.00 H new ATOM 111 N PRO A 10 -13.094 9.571 -6.602 1.00 0.00 N ATOM 112 CA PRO A 10 -12.310 8.360 -6.862 1.00 0.00 C ATOM 113 C PRO A 10 -12.667 7.713 -8.196 1.00 0.00 C ATOM 114 O PRO A 10 -13.765 7.907 -8.718 1.00 0.00 O ATOM 115 CB PRO A 10 -12.688 7.436 -5.701 1.00 0.00 C ATOM 116 CG PRO A 10 -14.040 7.897 -5.276 1.00 0.00 C ATOM 117 CD PRO A 10 -14.064 9.382 -5.511 1.00 0.00 C ATOM 0 HA PRO A 10 -11.243 8.572 -6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.706 6.392 -6.015 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.969 7.511 -4.885 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.821 7.398 -5.850 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.219 7.665 -4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -15.058 9.728 -5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.776 9.935 -4.617 1.00 0.00 H new ATOM 125 N THR A 11 -11.733 6.941 -8.743 1.00 0.00 N ATOM 126 CA THR A 11 -11.949 6.266 -10.017 1.00 0.00 C ATOM 127 C THR A 11 -13.312 5.585 -10.053 1.00 0.00 C ATOM 128 O THR A 11 -14.029 5.663 -11.050 1.00 0.00 O ATOM 129 CB THR A 11 -10.856 5.216 -10.288 1.00 0.00 C ATOM 130 OG1 THR A 11 -11.053 4.625 -11.577 1.00 0.00 O ATOM 131 CG2 THR A 11 -10.869 4.132 -9.221 1.00 0.00 C ATOM 0 H THR A 11 -10.820 6.768 -8.324 1.00 0.00 H new ATOM 0 HA THR A 11 -11.907 7.031 -10.792 1.00 0.00 H new ATOM 0 HB THR A 11 -9.888 5.717 -10.262 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.353 3.959 -11.742 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.088 3.402 -9.434 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.689 4.581 -8.244 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.839 3.635 -9.219 1.00 0.00 H new ATOM 139 N ASN A 12 -13.665 4.917 -8.959 1.00 0.00 N ATOM 140 CA ASN A 12 -14.943 4.222 -8.867 1.00 0.00 C ATOM 141 C ASN A 12 -15.701 4.642 -7.611 1.00 0.00 C ATOM 142 O ASN A 12 -16.851 5.073 -7.682 1.00 0.00 O ATOM 143 CB ASN A 12 -14.725 2.708 -8.862 1.00 0.00 C ATOM 144 CG ASN A 12 -13.996 2.232 -7.621 1.00 0.00 C ATOM 145 OD1 ASN A 12 -13.015 2.841 -7.192 1.00 0.00 O ATOM 146 ND2 ASN A 12 -14.473 1.139 -7.037 1.00 0.00 N ATOM 0 H ASN A 12 -13.084 4.843 -8.124 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.539 4.493 -9.738 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.690 2.205 -8.929 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -14.155 2.423 -9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.024 0.772 -6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.288 0.667 -7.427 1.00 0.00 H new ATOM 153 N ASN A 13 -15.047 4.512 -6.461 1.00 0.00 N ATOM 154 CA ASN A 13 -15.659 4.878 -5.188 1.00 0.00 C ATOM 155 C ASN A 13 -14.651 4.766 -4.048 1.00 0.00 C ATOM 156 O ASN A 13 -13.479 4.459 -4.269 1.00 0.00 O ATOM 157 CB ASN A 13 -16.868 3.984 -4.904 1.00 0.00 C ATOM 158 CG ASN A 13 -17.925 4.688 -4.077 1.00 0.00 C ATOM 159 OD1 ASN A 13 -17.846 4.724 -2.849 1.00 0.00 O ATOM 160 ND2 ASN A 13 -18.923 5.252 -4.748 1.00 0.00 N ATOM 0 H ASN A 13 -14.094 4.156 -6.384 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.990 5.914 -5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.306 3.659 -5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -16.538 3.087 -4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -19.664 5.740 -4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.948 5.197 -5.766 1.00 0.00 H new ATOM 167 N PHE A 14 -15.115 5.018 -2.829 1.00 0.00 N ATOM 168 CA PHE A 14 -14.255 4.946 -1.654 1.00 0.00 C ATOM 169 C PHE A 14 -14.265 3.541 -1.057 1.00 0.00 C ATOM 170 O PHE A 14 -15.019 2.674 -1.496 1.00 0.00 O ATOM 171 CB PHE A 14 -14.706 5.962 -0.603 1.00 0.00 C ATOM 172 CG PHE A 14 -14.952 7.334 -1.162 1.00 0.00 C ATOM 173 CD1 PHE A 14 -13.895 8.196 -1.410 1.00 0.00 C ATOM 174 CD2 PHE A 14 -16.239 7.762 -1.442 1.00 0.00 C ATOM 175 CE1 PHE A 14 -14.119 9.459 -1.924 1.00 0.00 C ATOM 176 CE2 PHE A 14 -16.469 9.024 -1.956 1.00 0.00 C ATOM 177 CZ PHE A 14 -15.407 9.873 -2.199 1.00 0.00 C ATOM 0 H PHE A 14 -16.082 5.274 -2.629 1.00 0.00 H new ATOM 0 HA PHE A 14 -13.237 5.182 -1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -15.620 5.602 -0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -13.947 6.027 0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.885 7.877 -1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -17.073 7.101 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.287 10.122 -2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.478 9.346 -2.167 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.584 10.859 -2.603 1.00 0.00 H new ATOM 187 N GLY A 15 -13.421 3.325 -0.052 1.00 0.00 N ATOM 188 CA GLY A 15 -13.348 2.025 0.589 1.00 0.00 C ATOM 189 C GLY A 15 -12.731 0.971 -0.308 1.00 0.00 C ATOM 190 O GLY A 15 -13.140 -0.189 -0.286 1.00 0.00 O ATOM 0 H GLY A 15 -12.787 4.027 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.762 2.107 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.350 1.709 0.879 1.00 0.00 H new ATOM 194 N ASN A 16 -11.744 1.375 -1.101 1.00 0.00 N ATOM 195 CA ASN A 16 -11.070 0.456 -2.012 1.00 0.00 C ATOM 196 C ASN A 16 -9.568 0.721 -2.039 1.00 0.00 C ATOM 197 O ASN A 16 -9.112 1.812 -1.695 1.00 0.00 O ATOM 198 CB ASN A 16 -11.648 0.588 -3.422 1.00 0.00 C ATOM 199 CG ASN A 16 -13.133 0.896 -3.412 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.883 0.168 -2.593 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.600 1.779 -4.132 1.00 0.00 N flip ATOM 0 H ASN A 16 -11.393 2.332 -1.131 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.235 -0.560 -1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.120 1.378 -3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.476 -0.338 -3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.986 2.314 -4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.601 1.975 -4.114 1.00 0.00 H new ATOM 208 N CYS A 17 -8.803 -0.285 -2.450 1.00 0.00 N ATOM 209 CA CYS A 17 -7.352 -0.162 -2.523 1.00 0.00 C ATOM 210 C CYS A 17 -6.950 1.073 -3.325 1.00 0.00 C ATOM 211 O CYS A 17 -7.653 1.484 -4.248 1.00 0.00 O ATOM 212 CB CYS A 17 -6.745 -1.415 -3.157 1.00 0.00 C ATOM 213 SG CYS A 17 -4.927 -1.386 -3.268 1.00 0.00 S ATOM 0 H CYS A 17 -9.164 -1.195 -2.738 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.970 -0.054 -1.508 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.049 -2.286 -2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.158 -1.539 -4.158 1.00 0.00 H new ATOM 218 N THR A 18 -5.813 1.661 -2.964 1.00 0.00 N ATOM 219 CA THR A 18 -5.317 2.848 -3.648 1.00 0.00 C ATOM 220 C THR A 18 -4.288 2.482 -4.711 1.00 0.00 C ATOM 221 O THR A 18 -3.473 3.311 -5.113 1.00 0.00 O ATOM 222 CB THR A 18 -4.684 3.844 -2.658 1.00 0.00 C ATOM 223 OG1 THR A 18 -5.418 3.845 -1.428 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.661 5.248 -3.242 1.00 0.00 C ATOM 0 H THR A 18 -5.219 1.334 -2.202 1.00 0.00 H new ATOM 0 HA THR A 18 -6.176 3.318 -4.126 1.00 0.00 H new ATOM 0 HB THR A 18 -3.657 3.531 -2.468 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.153 3.071 -0.888 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.210 5.933 -2.524 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.077 5.250 -4.162 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.680 5.569 -3.458 1.00 0.00 H new ATOM 232 N GLY A 19 -4.330 1.232 -5.162 1.00 0.00 N ATOM 233 CA GLY A 19 -3.395 0.777 -6.175 1.00 0.00 C ATOM 234 C GLY A 19 -4.082 0.048 -7.313 1.00 0.00 C ATOM 235 O GLY A 19 -3.923 0.411 -8.479 1.00 0.00 O ATOM 0 H GLY A 19 -4.994 0.526 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.850 1.633 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.660 0.116 -5.716 1.00 0.00 H new ATOM 239 N CYS A 20 -4.846 -0.985 -6.975 1.00 0.00 N ATOM 240 CA CYS A 20 -5.558 -1.770 -7.976 1.00 0.00 C ATOM 241 C CYS A 20 -7.049 -1.445 -7.962 1.00 0.00 C ATOM 242 O CYS A 20 -7.819 -1.981 -8.759 1.00 0.00 O ATOM 243 CB CYS A 20 -5.349 -3.265 -7.726 1.00 0.00 C ATOM 244 SG CYS A 20 -5.787 -3.806 -6.043 1.00 0.00 S ATOM 0 H CYS A 20 -4.988 -1.298 -6.015 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.156 -1.513 -8.956 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.944 -3.829 -8.444 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.304 -3.511 -7.915 1.00 0.00 H new ATOM 249 N SER A 21 -7.449 -0.563 -7.052 1.00 0.00 N ATOM 250 CA SER A 21 -8.847 -0.168 -6.932 1.00 0.00 C ATOM 251 C SER A 21 -9.741 -1.389 -6.735 1.00 0.00 C ATOM 252 O SER A 21 -10.773 -1.528 -7.390 1.00 0.00 O ATOM 253 CB SER A 21 -9.289 0.607 -8.175 1.00 0.00 C ATOM 254 OG SER A 21 -8.663 1.876 -8.234 1.00 0.00 O ATOM 0 H SER A 21 -6.824 -0.108 -6.387 1.00 0.00 H new ATOM 0 HA SER A 21 -8.943 0.476 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.044 0.035 -9.070 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.372 0.732 -8.163 1.00 0.00 H new ATOM 0 HG SER A 21 -8.421 2.079 -9.162 1.00 0.00 H new ATOM 260 N ALA A 22 -9.336 -2.270 -5.826 1.00 0.00 N ATOM 261 CA ALA A 22 -10.100 -3.478 -5.541 1.00 0.00 C ATOM 262 C ALA A 22 -10.736 -3.411 -4.156 1.00 0.00 C ATOM 263 O ALA A 22 -10.053 -3.544 -3.140 1.00 0.00 O ATOM 264 CB ALA A 22 -9.208 -4.706 -5.655 1.00 0.00 C ATOM 0 H ALA A 22 -8.484 -2.170 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.900 -3.554 -6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.792 -5.601 -5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.805 -4.770 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.388 -4.627 -4.942 1.00 0.00 H new ATOM 270 N THR A 23 -12.049 -3.203 -4.123 1.00 0.00 N ATOM 271 CA THR A 23 -12.777 -3.116 -2.863 1.00 0.00 C ATOM 272 C THR A 23 -12.359 -4.228 -1.909 1.00 0.00 C ATOM 273 O THR A 23 -12.001 -5.325 -2.337 1.00 0.00 O ATOM 274 CB THR A 23 -14.299 -3.191 -3.088 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.677 -2.338 -4.174 1.00 0.00 O ATOM 276 CG2 THR A 23 -15.052 -2.784 -1.830 1.00 0.00 C ATOM 0 H THR A 23 -12.630 -3.092 -4.954 1.00 0.00 H new ATOM 0 HA THR A 23 -12.530 -2.151 -2.421 1.00 0.00 H new ATOM 0 HB THR A 23 -14.558 -4.222 -3.330 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.519 -1.403 -3.926 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.125 -2.845 -2.013 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.784 -3.454 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.787 -1.761 -1.562 1.00 0.00 H new ATOM 284 N PHE A 24 -12.409 -3.940 -0.612 1.00 0.00 N ATOM 285 CA PHE A 24 -12.035 -4.917 0.403 1.00 0.00 C ATOM 286 C PHE A 24 -13.250 -5.720 0.859 1.00 0.00 C ATOM 287 O PHE A 24 -13.943 -5.337 1.801 1.00 0.00 O ATOM 288 CB PHE A 24 -11.394 -4.217 1.603 1.00 0.00 C ATOM 289 CG PHE A 24 -10.205 -3.373 1.240 1.00 0.00 C ATOM 290 CD1 PHE A 24 -10.374 -2.079 0.774 1.00 0.00 C ATOM 291 CD2 PHE A 24 -8.919 -3.874 1.365 1.00 0.00 C ATOM 292 CE1 PHE A 24 -9.282 -1.301 0.439 1.00 0.00 C ATOM 293 CE2 PHE A 24 -7.824 -3.100 1.031 1.00 0.00 C ATOM 294 CZ PHE A 24 -8.006 -1.812 0.568 1.00 0.00 C ATOM 0 H PHE A 24 -12.705 -3.038 -0.240 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.312 -5.603 -0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -12.141 -3.589 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -11.088 -4.968 2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -11.370 -1.674 0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.771 -4.881 1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.427 -0.294 0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.827 -3.502 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.151 -1.205 0.307 1.00 0.00 H new ATOM 304 N SER A 25 -13.502 -6.836 0.181 1.00 0.00 N ATOM 305 CA SER A 25 -14.636 -7.691 0.512 1.00 0.00 C ATOM 306 C SER A 25 -14.212 -9.155 0.575 1.00 0.00 C ATOM 307 O SER A 25 -14.435 -9.836 1.575 1.00 0.00 O ATOM 308 CB SER A 25 -15.753 -7.515 -0.518 1.00 0.00 C ATOM 309 OG SER A 25 -16.618 -6.453 -0.156 1.00 0.00 O ATOM 0 H SER A 25 -12.937 -7.169 -0.600 1.00 0.00 H new ATOM 0 HA SER A 25 -15.008 -7.396 1.493 1.00 0.00 H new ATOM 0 HB2 SER A 25 -15.320 -7.317 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.323 -8.440 -0.602 1.00 0.00 H new ATOM 0 HG SER A 25 -17.322 -6.360 -0.831 1.00 0.00 H new ATOM 315 N VAL A 26 -13.598 -9.633 -0.503 1.00 0.00 N ATOM 316 CA VAL A 26 -13.141 -11.016 -0.572 1.00 0.00 C ATOM 317 C VAL A 26 -12.031 -11.279 0.440 1.00 0.00 C ATOM 318 O VAL A 26 -10.848 -11.263 0.099 1.00 0.00 O ATOM 319 CB VAL A 26 -12.629 -11.368 -1.982 1.00 0.00 C ATOM 320 CG1 VAL A 26 -11.749 -10.252 -2.525 1.00 0.00 C ATOM 321 CG2 VAL A 26 -11.875 -12.689 -1.960 1.00 0.00 C ATOM 0 H VAL A 26 -13.406 -9.083 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.999 -11.645 -0.337 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.488 -11.476 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.397 -10.519 -3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.325 -9.328 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.894 -10.109 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.520 -12.922 -2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.024 -12.611 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.540 -13.482 -1.617 1.00 0.00 H new ATOM 331 N LEU A 27 -12.421 -11.523 1.686 1.00 0.00 N ATOM 332 CA LEU A 27 -11.460 -11.791 2.750 1.00 0.00 C ATOM 333 C LEU A 27 -10.206 -10.939 2.578 1.00 0.00 C ATOM 334 O LEU A 27 -9.085 -11.428 2.722 1.00 0.00 O ATOM 335 CB LEU A 27 -11.085 -13.274 2.764 1.00 0.00 C ATOM 336 CG LEU A 27 -12.252 -14.260 2.816 1.00 0.00 C ATOM 337 CD1 LEU A 27 -11.777 -15.667 2.488 1.00 0.00 C ATOM 338 CD2 LEU A 27 -12.919 -14.226 4.184 1.00 0.00 C ATOM 0 H LEU A 27 -13.396 -11.541 1.984 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.926 -11.532 3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.494 -13.487 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.442 -13.458 3.624 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.987 -13.963 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.621 -16.355 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.346 -15.682 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.022 -15.974 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.747 -14.934 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.192 -14.497 4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.295 -13.222 4.380 1.00 0.00 H new ATOM 350 N LYS A 28 -10.402 -9.662 2.270 1.00 0.00 N ATOM 351 CA LYS A 28 -9.288 -8.740 2.082 1.00 0.00 C ATOM 352 C LYS A 28 -9.277 -7.670 3.170 1.00 0.00 C ATOM 353 O LYS A 28 -10.088 -6.744 3.153 1.00 0.00 O ATOM 354 CB LYS A 28 -9.373 -8.080 0.704 1.00 0.00 C ATOM 355 CG LYS A 28 -8.580 -8.806 -0.368 1.00 0.00 C ATOM 356 CD LYS A 28 -8.800 -8.189 -1.739 1.00 0.00 C ATOM 357 CE LYS A 28 -7.809 -8.729 -2.759 1.00 0.00 C ATOM 358 NZ LYS A 28 -7.956 -10.199 -2.950 1.00 0.00 N ATOM 0 H LYS A 28 -11.323 -9.241 2.145 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.362 -9.310 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.418 -8.029 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.012 -7.054 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.519 -8.775 -0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.872 -9.856 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.817 -8.396 -2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.701 -7.106 -1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.957 -8.222 -3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.793 -8.505 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.323 -10.515 -3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.708 -10.690 -2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.940 -10.419 -3.204 1.00 0.00 H new ATOM 372 N LYS A 29 -8.352 -7.803 4.114 1.00 0.00 N ATOM 373 CA LYS A 29 -8.233 -6.847 5.209 1.00 0.00 C ATOM 374 C LYS A 29 -7.472 -5.602 4.763 1.00 0.00 C ATOM 375 O LYS A 29 -6.300 -5.678 4.395 1.00 0.00 O ATOM 376 CB LYS A 29 -7.523 -7.492 6.401 1.00 0.00 C ATOM 377 CG LYS A 29 -8.436 -8.345 7.265 1.00 0.00 C ATOM 378 CD LYS A 29 -7.663 -9.051 8.366 1.00 0.00 C ATOM 379 CE LYS A 29 -7.263 -8.086 9.472 1.00 0.00 C ATOM 380 NZ LYS A 29 -8.445 -7.595 10.234 1.00 0.00 N ATOM 0 H LYS A 29 -7.673 -8.564 4.143 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.237 -6.549 5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.703 -8.109 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.081 -6.709 7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.210 -7.718 7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.941 -9.084 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.272 -9.853 8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.771 -9.515 7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.572 -8.581 10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.732 -7.238 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.130 -7.183 11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.941 -6.870 9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.091 -8.388 10.422 1.00 0.00 H new ATOM 394 N ARG A 30 -8.146 -4.458 4.801 1.00 0.00 N ATOM 395 CA ARG A 30 -7.533 -3.197 4.401 1.00 0.00 C ATOM 396 C ARG A 30 -6.199 -2.991 5.112 1.00 0.00 C ATOM 397 O ARG A 30 -6.158 -2.742 6.317 1.00 0.00 O ATOM 398 CB ARG A 30 -8.472 -2.029 4.709 1.00 0.00 C ATOM 399 CG ARG A 30 -8.290 -0.840 3.780 1.00 0.00 C ATOM 400 CD ARG A 30 -9.600 -0.102 3.556 1.00 0.00 C ATOM 401 NE ARG A 30 -9.807 0.959 4.539 1.00 0.00 N ATOM 402 CZ ARG A 30 -10.979 1.215 5.108 1.00 0.00 C ATOM 403 NH1 ARG A 30 -12.044 0.490 4.795 1.00 0.00 N ATOM 404 NH2 ARG A 30 -11.087 2.197 5.994 1.00 0.00 N ATOM 0 H ARG A 30 -9.116 -4.378 5.105 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.351 -3.235 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.503 -2.376 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.309 -1.704 5.737 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.554 -0.156 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.895 -1.182 2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.608 0.326 2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.428 -0.809 3.607 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.007 1.535 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.964 -0.267 4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.943 0.689 5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.269 2.756 6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.988 2.393 6.431 1.00 0.00 H new ATOM 418 N ARG A 31 -5.110 -3.098 4.358 1.00 0.00 N ATOM 419 CA ARG A 31 -3.774 -2.926 4.917 1.00 0.00 C ATOM 420 C ARG A 31 -3.364 -1.456 4.902 1.00 0.00 C ATOM 421 O ARG A 31 -3.975 -0.638 4.215 1.00 0.00 O ATOM 422 CB ARG A 31 -2.759 -3.758 4.131 1.00 0.00 C ATOM 423 CG ARG A 31 -2.580 -5.168 4.669 1.00 0.00 C ATOM 424 CD ARG A 31 -1.967 -6.089 3.625 1.00 0.00 C ATOM 425 NE ARG A 31 -1.414 -7.302 4.223 1.00 0.00 N ATOM 426 CZ ARG A 31 -2.159 -8.270 4.743 1.00 0.00 C ATOM 427 NH1 ARG A 31 -3.481 -8.169 4.739 1.00 0.00 N ATOM 428 NH2 ARG A 31 -1.582 -9.343 5.269 1.00 0.00 N ATOM 0 H ARG A 31 -5.126 -3.303 3.359 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.792 -3.270 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.076 -3.813 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.796 -3.248 4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.943 -5.143 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.546 -5.564 4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.725 -6.360 2.890 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.180 -5.557 3.090 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.400 -7.411 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.928 -7.346 4.336 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.051 -8.914 5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.565 -9.425 5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.155 -10.086 5.668 1.00 0.00 H new ATOM 442 N SER A 32 -2.325 -1.130 5.664 1.00 0.00 N ATOM 443 CA SER A 32 -1.836 0.242 5.742 1.00 0.00 C ATOM 444 C SER A 32 -0.356 0.312 5.380 1.00 0.00 C ATOM 445 O SER A 32 0.473 -0.386 5.966 1.00 0.00 O ATOM 446 CB SER A 32 -2.056 0.805 7.148 1.00 0.00 C ATOM 447 OG SER A 32 -1.424 -0.003 8.126 1.00 0.00 O ATOM 0 H SER A 32 -1.806 -1.796 6.236 1.00 0.00 H new ATOM 0 HA SER A 32 -2.396 0.843 5.026 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.664 1.820 7.202 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.124 0.865 7.356 1.00 0.00 H new ATOM 0 HG SER A 32 -0.691 -0.504 7.712 1.00 0.00 H new ATOM 453 N CYS A 33 -0.030 1.159 4.410 1.00 0.00 N ATOM 454 CA CYS A 33 1.349 1.322 3.967 1.00 0.00 C ATOM 455 C CYS A 33 2.225 1.851 5.099 1.00 0.00 C ATOM 456 O CYS A 33 1.722 2.343 6.109 1.00 0.00 O ATOM 457 CB CYS A 33 1.414 2.274 2.771 1.00 0.00 C ATOM 458 SG CYS A 33 3.048 2.351 1.970 1.00 0.00 S ATOM 0 H CYS A 33 -0.703 1.744 3.915 1.00 0.00 H new ATOM 0 HA CYS A 33 1.725 0.344 3.666 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.674 1.964 2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.136 3.275 3.101 1.00 0.00 H new ATOM 463 N SER A 34 3.538 1.746 4.923 1.00 0.00 N ATOM 464 CA SER A 34 4.485 2.210 5.930 1.00 0.00 C ATOM 465 C SER A 34 5.080 3.559 5.536 1.00 0.00 C ATOM 466 O SER A 34 5.428 4.370 6.393 1.00 0.00 O ATOM 467 CB SER A 34 5.602 1.183 6.122 1.00 0.00 C ATOM 468 OG SER A 34 6.103 1.216 7.447 1.00 0.00 O ATOM 0 H SER A 34 3.971 1.343 4.092 1.00 0.00 H new ATOM 0 HA SER A 34 3.947 2.331 6.870 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.225 0.185 5.897 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.410 1.385 5.419 1.00 0.00 H new ATOM 0 HG SER A 34 6.143 2.144 7.759 1.00 0.00 H new ATOM 474 N ASN A 35 5.192 3.791 4.233 1.00 0.00 N ATOM 475 CA ASN A 35 5.746 5.040 3.724 1.00 0.00 C ATOM 476 C ASN A 35 4.655 6.097 3.573 1.00 0.00 C ATOM 477 O ASN A 35 4.556 7.022 4.380 1.00 0.00 O ATOM 478 CB ASN A 35 6.434 4.807 2.377 1.00 0.00 C ATOM 479 CG ASN A 35 6.911 6.097 1.740 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.489 6.956 2.407 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.670 6.240 0.442 1.00 0.00 N ATOM 0 H ASN A 35 4.907 3.131 3.510 1.00 0.00 H new ATOM 0 HA ASN A 35 6.482 5.401 4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.283 4.139 2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.742 4.305 1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.967 7.088 -0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.188 5.502 -0.071 1.00 0.00 H new ATOM 488 N CYS A 36 3.839 5.952 2.535 1.00 0.00 N ATOM 489 CA CYS A 36 2.755 6.893 2.277 1.00 0.00 C ATOM 490 C CYS A 36 1.697 6.817 3.374 1.00 0.00 C ATOM 491 O CYS A 36 1.065 7.817 3.712 1.00 0.00 O ATOM 492 CB CYS A 36 2.116 6.607 0.917 1.00 0.00 C ATOM 493 SG CYS A 36 1.075 5.113 0.883 1.00 0.00 S ATOM 0 H CYS A 36 3.907 5.192 1.858 1.00 0.00 H new ATOM 0 HA CYS A 36 3.175 7.899 2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.511 7.465 0.624 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.905 6.504 0.172 1.00 0.00 H new ATOM 498 N GLY A 37 1.509 5.622 3.927 1.00 0.00 N ATOM 499 CA GLY A 37 0.527 5.437 4.979 1.00 0.00 C ATOM 500 C GLY A 37 -0.893 5.414 4.450 1.00 0.00 C ATOM 501 O GLY A 37 -1.807 5.940 5.083 1.00 0.00 O ATOM 0 H GLY A 37 2.020 4.779 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.731 4.503 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.626 6.240 5.709 1.00 0.00 H new ATOM 505 N ASN A 38 -1.078 4.802 3.284 1.00 0.00 N ATOM 506 CA ASN A 38 -2.397 4.715 2.668 1.00 0.00 C ATOM 507 C ASN A 38 -2.951 3.297 2.768 1.00 0.00 C ATOM 508 O ASN A 38 -2.261 2.380 3.212 1.00 0.00 O ATOM 509 CB ASN A 38 -2.328 5.146 1.202 1.00 0.00 C ATOM 510 CG ASN A 38 -1.575 6.449 1.017 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.413 7.224 1.959 1.00 0.00 O ATOM 512 ND2 ASN A 38 -1.112 6.696 -0.203 1.00 0.00 N ATOM 0 H ASN A 38 -0.332 4.360 2.748 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.067 5.387 3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.843 4.363 0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.339 5.255 0.810 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.598 7.557 -0.389 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.270 6.024 -0.954 1.00 0.00 H new ATOM 519 N SER A 39 -4.202 3.125 2.351 1.00 0.00 N ATOM 520 CA SER A 39 -4.850 1.820 2.396 1.00 0.00 C ATOM 521 C SER A 39 -4.573 1.031 1.120 1.00 0.00 C ATOM 522 O SER A 39 -4.616 1.577 0.017 1.00 0.00 O ATOM 523 CB SER A 39 -6.359 1.982 2.591 1.00 0.00 C ATOM 524 OG SER A 39 -6.650 2.569 3.848 1.00 0.00 O ATOM 0 H SER A 39 -4.786 3.873 1.978 1.00 0.00 H new ATOM 0 HA SER A 39 -4.439 1.267 3.241 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.768 2.602 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.845 1.009 2.519 1.00 0.00 H new ATOM 0 HG SER A 39 -7.599 2.810 3.885 1.00 0.00 H new ATOM 530 N PHE A 40 -4.288 -0.257 1.278 1.00 0.00 N ATOM 531 CA PHE A 40 -4.003 -1.122 0.139 1.00 0.00 C ATOM 532 C PHE A 40 -4.417 -2.561 0.432 1.00 0.00 C ATOM 533 O PHE A 40 -4.692 -2.920 1.578 1.00 0.00 O ATOM 534 CB PHE A 40 -2.513 -1.069 -0.208 1.00 0.00 C ATOM 535 CG PHE A 40 -2.053 0.285 -0.668 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.330 0.726 -1.952 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.343 1.116 0.183 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.908 1.971 -2.379 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.919 2.362 -0.238 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.201 2.790 -1.520 1.00 0.00 C ATOM 0 H PHE A 40 -4.248 -0.725 2.183 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.581 -0.762 -0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.934 -1.363 0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.304 -1.800 -0.989 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.882 0.089 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.118 0.786 1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.131 2.303 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.367 3.001 0.436 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.870 3.763 -1.851 1.00 0.00 H new ATOM 550 N CYS A 41 -4.459 -3.383 -0.612 1.00 0.00 N ATOM 551 CA CYS A 41 -4.841 -4.783 -0.469 1.00 0.00 C ATOM 552 C CYS A 41 -3.653 -5.626 -0.015 1.00 0.00 C ATOM 553 O CYS A 41 -2.568 -5.104 0.238 1.00 0.00 O ATOM 554 CB CYS A 41 -5.387 -5.322 -1.792 1.00 0.00 C ATOM 555 SG CYS A 41 -4.191 -5.275 -3.165 1.00 0.00 S ATOM 0 H CYS A 41 -4.233 -3.103 -1.567 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.621 -4.846 0.290 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.715 -6.351 -1.645 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.268 -4.744 -2.072 1.00 0.00 H new ATOM 560 N SER A 42 -3.867 -6.934 0.085 1.00 0.00 N ATOM 561 CA SER A 42 -2.816 -7.851 0.512 1.00 0.00 C ATOM 562 C SER A 42 -1.918 -8.231 -0.661 1.00 0.00 C ATOM 563 O SER A 42 -1.084 -9.130 -0.553 1.00 0.00 O ATOM 564 CB SER A 42 -3.428 -9.110 1.130 1.00 0.00 C ATOM 565 OG SER A 42 -4.062 -9.905 0.143 1.00 0.00 O ATOM 0 H SER A 42 -4.759 -7.383 -0.124 1.00 0.00 H new ATOM 0 HA SER A 42 -2.209 -7.345 1.263 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.650 -9.691 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.152 -8.829 1.895 1.00 0.00 H new ATOM 0 HG SER A 42 -4.444 -10.704 0.562 1.00 0.00 H new ATOM 571 N ARG A 43 -2.095 -7.539 -1.782 1.00 0.00 N ATOM 572 CA ARG A 43 -1.302 -7.804 -2.977 1.00 0.00 C ATOM 573 C ARG A 43 -0.423 -6.606 -3.322 1.00 0.00 C ATOM 574 O ARG A 43 0.662 -6.760 -3.884 1.00 0.00 O ATOM 575 CB ARG A 43 -2.216 -8.137 -4.158 1.00 0.00 C ATOM 576 CG ARG A 43 -1.465 -8.584 -5.402 1.00 0.00 C ATOM 577 CD ARG A 43 -2.331 -9.466 -6.288 1.00 0.00 C ATOM 578 NE ARG A 43 -1.743 -9.658 -7.610 1.00 0.00 N ATOM 579 CZ ARG A 43 -2.037 -10.682 -8.404 1.00 0.00 C ATOM 580 NH1 ARG A 43 -2.908 -11.601 -8.010 1.00 0.00 N ATOM 581 NH2 ARG A 43 -1.460 -10.788 -9.594 1.00 0.00 N ATOM 0 H ARG A 43 -2.780 -6.791 -1.888 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.658 -8.659 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.909 -8.924 -3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.815 -7.260 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.138 -7.710 -5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.567 -9.129 -5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.471 -10.435 -5.809 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.319 -9.017 -6.392 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.069 -8.968 -7.943 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.354 -11.523 -7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.132 -12.386 -8.621 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.790 -10.083 -9.900 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.687 -11.575 -10.202 1.00 0.00 H new ATOM 595 N CYS A 44 -0.898 -5.413 -2.983 1.00 0.00 N ATOM 596 CA CYS A 44 -0.156 -4.188 -3.257 1.00 0.00 C ATOM 597 C CYS A 44 0.817 -3.875 -2.124 1.00 0.00 C ATOM 598 O CYS A 44 1.941 -3.433 -2.362 1.00 0.00 O ATOM 599 CB CYS A 44 -1.121 -3.016 -3.454 1.00 0.00 C ATOM 600 SG CYS A 44 -1.985 -3.025 -5.057 1.00 0.00 S ATOM 0 H CYS A 44 -1.794 -5.268 -2.518 1.00 0.00 H new ATOM 0 HA CYS A 44 0.417 -4.337 -4.172 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.862 -3.031 -2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.566 -2.083 -3.358 1.00 0.00 H new ATOM 605 N CYS A 45 0.376 -4.109 -0.893 1.00 0.00 N ATOM 606 CA CYS A 45 1.208 -3.852 0.278 1.00 0.00 C ATOM 607 C CYS A 45 2.019 -5.089 0.650 1.00 0.00 C ATOM 608 O CYS A 45 2.143 -5.432 1.826 1.00 0.00 O ATOM 609 CB CYS A 45 0.339 -3.422 1.461 1.00 0.00 C ATOM 610 SG CYS A 45 1.275 -2.770 2.865 1.00 0.00 S ATOM 0 H CYS A 45 -0.552 -4.476 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 45 1.900 -3.046 0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.366 -2.662 1.123 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.250 -4.276 1.795 1.00 0.00 H new ATOM 0 HG CYS A 45 2.046 -3.701 3.343 1.00 0.00 H new ATOM 616 N SER A 46 2.569 -5.755 -0.360 1.00 0.00 N ATOM 617 CA SER A 46 3.365 -6.957 -0.139 1.00 0.00 C ATOM 618 C SER A 46 4.804 -6.748 -0.601 1.00 0.00 C ATOM 619 O SER A 46 5.422 -7.648 -1.171 1.00 0.00 O ATOM 620 CB SER A 46 2.747 -8.145 -0.879 1.00 0.00 C ATOM 621 OG SER A 46 3.017 -9.362 -0.204 1.00 0.00 O ATOM 0 H SER A 46 2.478 -5.483 -1.339 1.00 0.00 H new ATOM 0 HA SER A 46 3.372 -7.168 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.670 -8.004 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.144 -8.192 -1.893 1.00 0.00 H new ATOM 0 HG SER A 46 2.610 -10.106 -0.696 1.00 0.00 H new ATOM 627 N PHE A 47 5.332 -5.555 -0.350 1.00 0.00 N ATOM 628 CA PHE A 47 6.698 -5.226 -0.740 1.00 0.00 C ATOM 629 C PHE A 47 7.539 -4.864 0.480 1.00 0.00 C ATOM 630 O PHE A 47 7.181 -3.977 1.255 1.00 0.00 O ATOM 631 CB PHE A 47 6.701 -4.066 -1.738 1.00 0.00 C ATOM 632 CG PHE A 47 6.147 -4.433 -3.085 1.00 0.00 C ATOM 633 CD1 PHE A 47 4.781 -4.416 -3.316 1.00 0.00 C ATOM 634 CD2 PHE A 47 6.993 -4.794 -4.122 1.00 0.00 C ATOM 635 CE1 PHE A 47 4.268 -4.753 -4.554 1.00 0.00 C ATOM 636 CE2 PHE A 47 6.486 -5.132 -5.362 1.00 0.00 C ATOM 637 CZ PHE A 47 5.122 -5.112 -5.579 1.00 0.00 C ATOM 0 H PHE A 47 4.835 -4.800 0.122 1.00 0.00 H new ATOM 0 HA PHE A 47 7.136 -6.105 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.118 -3.242 -1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.722 -3.705 -1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.109 -4.136 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.060 -4.811 -3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.201 -4.736 -4.720 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.156 -5.412 -6.161 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.724 -5.376 -6.548 1.00 0.00 H new ATOM 647 N LYS A 48 8.661 -5.556 0.644 1.00 0.00 N ATOM 648 CA LYS A 48 9.556 -5.309 1.768 1.00 0.00 C ATOM 649 C LYS A 48 10.636 -4.300 1.392 1.00 0.00 C ATOM 650 O LYS A 48 11.456 -4.552 0.509 1.00 0.00 O ATOM 651 CB LYS A 48 10.204 -6.617 2.228 1.00 0.00 C ATOM 652 CG LYS A 48 9.234 -7.571 2.905 1.00 0.00 C ATOM 653 CD LYS A 48 9.903 -8.889 3.256 1.00 0.00 C ATOM 654 CE LYS A 48 10.734 -8.772 4.525 1.00 0.00 C ATOM 655 NZ LYS A 48 11.794 -9.817 4.592 1.00 0.00 N ATOM 0 H LYS A 48 8.973 -6.293 0.012 1.00 0.00 H new ATOM 0 HA LYS A 48 8.966 -4.896 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.649 -7.115 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.016 -6.388 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.840 -7.109 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.385 -7.757 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.144 -9.660 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.540 -9.206 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.194 -7.785 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.083 -8.859 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.338 -9.704 5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.354 -10.759 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.431 -9.719 3.776 1.00 0.00 H new ATOM 669 N VAL A 49 10.632 -3.156 2.070 1.00 0.00 N ATOM 670 CA VAL A 49 11.613 -2.109 1.808 1.00 0.00 C ATOM 671 C VAL A 49 12.205 -1.574 3.108 1.00 0.00 C ATOM 672 O VAL A 49 11.553 -1.550 4.152 1.00 0.00 O ATOM 673 CB VAL A 49 10.991 -0.941 1.021 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.389 -1.438 -0.285 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.944 -0.228 1.863 1.00 0.00 C ATOM 0 H VAL A 49 9.961 -2.931 2.804 1.00 0.00 H new ATOM 0 HA VAL A 49 12.405 -2.559 1.209 1.00 0.00 H new ATOM 0 HB VAL A 49 11.779 -0.227 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.954 -0.599 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.168 -1.899 -0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.613 -2.173 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.515 0.595 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.156 -0.930 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.409 0.163 2.768 1.00 0.00 H new ATOM 685 N PRO A 50 13.470 -1.133 3.044 1.00 0.00 N ATOM 686 CA PRO A 50 14.178 -0.589 4.207 1.00 0.00 C ATOM 687 C PRO A 50 13.624 0.764 4.641 1.00 0.00 C ATOM 688 O PRO A 50 13.549 1.700 3.844 1.00 0.00 O ATOM 689 CB PRO A 50 15.618 -0.443 3.709 1.00 0.00 C ATOM 690 CG PRO A 50 15.495 -0.301 2.231 1.00 0.00 C ATOM 691 CD PRO A 50 14.307 -1.132 1.832 1.00 0.00 C ATOM 0 HA PRO A 50 14.079 -1.231 5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.104 0.427 4.151 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.219 -1.313 3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.353 0.743 1.950 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.399 -0.646 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.781 -0.699 0.981 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.601 -2.142 1.545 1.00 0.00 H new ATOM 699 N LYS A 51 13.239 0.861 5.908 1.00 0.00 N ATOM 700 CA LYS A 51 12.694 2.101 6.450 1.00 0.00 C ATOM 701 C LYS A 51 13.795 3.136 6.654 1.00 0.00 C ATOM 702 O LYS A 51 13.579 4.333 6.460 1.00 0.00 O ATOM 703 CB LYS A 51 11.980 1.831 7.777 1.00 0.00 C ATOM 704 CG LYS A 51 12.830 1.071 8.781 1.00 0.00 C ATOM 705 CD LYS A 51 12.228 1.125 10.175 1.00 0.00 C ATOM 706 CE LYS A 51 11.102 0.116 10.335 1.00 0.00 C ATOM 707 NZ LYS A 51 10.791 -0.146 11.768 1.00 0.00 N ATOM 0 H LYS A 51 13.294 0.096 6.580 1.00 0.00 H new ATOM 0 HA LYS A 51 11.976 2.498 5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.676 2.781 8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.070 1.264 7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.926 0.032 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.835 1.492 8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.003 0.927 10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.849 2.128 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.209 0.486 9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.380 -0.818 9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.054 -0.876 11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.649 -0.475 12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.453 0.730 12.216 1.00 0.00 H new ATOM 721 N SER A 52 14.976 2.668 7.044 1.00 0.00 N ATOM 722 CA SER A 52 16.111 3.555 7.276 1.00 0.00 C ATOM 723 C SER A 52 16.300 4.513 6.105 1.00 0.00 C ATOM 724 O SER A 52 16.388 5.727 6.290 1.00 0.00 O ATOM 725 CB SER A 52 17.386 2.738 7.493 1.00 0.00 C ATOM 726 OG SER A 52 18.409 3.534 8.067 1.00 0.00 O ATOM 0 H SER A 52 15.172 1.680 7.206 1.00 0.00 H new ATOM 0 HA SER A 52 15.906 4.141 8.172 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.172 1.890 8.144 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.728 2.331 6.541 1.00 0.00 H new ATOM 0 HG SER A 52 18.339 3.502 9.044 1.00 0.00 H new ATOM 732 N SER A 53 16.361 3.959 4.898 1.00 0.00 N ATOM 733 CA SER A 53 16.543 4.763 3.696 1.00 0.00 C ATOM 734 C SER A 53 15.626 5.982 3.713 1.00 0.00 C ATOM 735 O SER A 53 16.043 7.090 3.379 1.00 0.00 O ATOM 736 CB SER A 53 16.268 3.922 2.448 1.00 0.00 C ATOM 737 OG SER A 53 17.410 3.168 2.079 1.00 0.00 O ATOM 0 H SER A 53 16.287 2.956 4.727 1.00 0.00 H new ATOM 0 HA SER A 53 17.577 5.108 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.430 3.251 2.636 1.00 0.00 H new ATOM 0 HB3 SER A 53 15.976 4.573 1.624 1.00 0.00 H new ATOM 0 HG SER A 53 17.208 2.638 1.280 1.00 0.00 H new ATOM 743 N MET A 54 14.374 5.768 4.106 1.00 0.00 N ATOM 744 CA MET A 54 13.398 6.849 4.168 1.00 0.00 C ATOM 745 C MET A 54 13.748 7.834 5.279 1.00 0.00 C ATOM 746 O MET A 54 13.400 7.626 6.440 1.00 0.00 O ATOM 747 CB MET A 54 11.994 6.284 4.396 1.00 0.00 C ATOM 748 CG MET A 54 11.553 5.301 3.324 1.00 0.00 C ATOM 749 SD MET A 54 9.768 5.046 3.307 1.00 0.00 S ATOM 750 CE MET A 54 9.536 4.179 4.857 1.00 0.00 C ATOM 0 H MET A 54 14.012 4.856 4.386 1.00 0.00 H new ATOM 0 HA MET A 54 13.419 7.379 3.216 1.00 0.00 H new ATOM 0 HB2 MET A 54 11.964 5.788 5.366 1.00 0.00 H new ATOM 0 HB3 MET A 54 11.282 7.108 4.437 1.00 0.00 H new ATOM 0 HG2 MET A 54 11.873 5.666 2.348 1.00 0.00 H new ATOM 0 HG3 MET A 54 12.051 4.345 3.486 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.471 4.029 5.034 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.036 3.212 4.811 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.959 4.768 5.670 1.00 0.00 H new ATOM 760 N GLY A 55 14.440 8.909 4.913 1.00 0.00 N ATOM 761 CA GLY A 55 14.827 9.910 5.890 1.00 0.00 C ATOM 762 C GLY A 55 15.742 9.352 6.962 1.00 0.00 C ATOM 763 O GLY A 55 15.516 8.254 7.469 1.00 0.00 O ATOM 0 H GLY A 55 14.739 9.104 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.328 10.734 5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.933 10.321 6.358 1.00 0.00 H new ATOM 767 N ALA A 56 16.779 10.109 7.305 1.00 0.00 N ATOM 768 CA ALA A 56 17.731 9.683 8.324 1.00 0.00 C ATOM 769 C ALA A 56 17.030 9.409 9.650 1.00 0.00 C ATOM 770 O ALA A 56 15.935 9.913 9.902 1.00 0.00 O ATOM 771 CB ALA A 56 18.815 10.735 8.505 1.00 0.00 C ATOM 0 H ALA A 56 16.981 11.020 6.893 1.00 0.00 H new ATOM 0 HA ALA A 56 18.193 8.754 7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.519 10.404 9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.343 10.879 7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.361 11.676 8.814 1.00 0.00 H new ATOM 777 N THR A 57 17.668 8.606 10.496 1.00 0.00 N ATOM 778 CA THR A 57 17.105 8.263 11.796 1.00 0.00 C ATOM 779 C THR A 57 18.148 7.600 12.689 1.00 0.00 C ATOM 780 O THR A 57 19.244 7.270 12.239 1.00 0.00 O ATOM 781 CB THR A 57 15.895 7.321 11.653 1.00 0.00 C ATOM 782 OG1 THR A 57 15.226 7.188 12.912 1.00 0.00 O ATOM 783 CG2 THR A 57 16.332 5.950 11.158 1.00 0.00 C ATOM 0 H THR A 57 18.575 8.181 10.304 1.00 0.00 H new ATOM 0 HA THR A 57 16.778 9.196 12.255 1.00 0.00 H new ATOM 0 HB THR A 57 15.211 7.753 10.922 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.457 6.589 12.812 1.00 0.00 H new ATOM 0 HG21 THR A 57 15.460 5.302 11.065 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.815 6.051 10.186 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.034 5.514 11.868 1.00 0.00 H new ATOM 791 N ALA A 58 17.798 7.409 13.957 1.00 0.00 N ATOM 792 CA ALA A 58 18.704 6.783 14.912 1.00 0.00 C ATOM 793 C ALA A 58 19.307 5.504 14.341 1.00 0.00 C ATOM 794 O ALA A 58 18.830 4.954 13.348 1.00 0.00 O ATOM 795 CB ALA A 58 17.975 6.488 16.215 1.00 0.00 C ATOM 0 H ALA A 58 16.895 7.679 14.346 1.00 0.00 H new ATOM 0 HA ALA A 58 19.518 7.479 15.112 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.663 6.021 16.919 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.598 7.418 16.640 1.00 0.00 H new ATOM 0 HB3 ALA A 58 17.141 5.813 16.021 1.00 0.00 H new ATOM 801 N PRO A 59 20.382 5.019 14.979 1.00 0.00 N ATOM 802 CA PRO A 59 21.074 3.800 14.551 1.00 0.00 C ATOM 803 C PRO A 59 20.242 2.546 14.795 1.00 0.00 C ATOM 804 O PRO A 59 20.682 1.433 14.507 1.00 0.00 O ATOM 805 CB PRO A 59 22.334 3.783 15.420 1.00 0.00 C ATOM 806 CG PRO A 59 21.968 4.567 16.633 1.00 0.00 C ATOM 807 CD PRO A 59 21.005 5.624 16.169 1.00 0.00 C ATOM 0 HA PRO A 59 21.278 3.802 13.480 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.622 2.764 15.679 1.00 0.00 H new ATOM 0 HB3 PRO A 59 23.180 4.231 14.899 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.511 3.927 17.388 1.00 0.00 H new ATOM 0 HG3 PRO A 59 22.851 5.016 17.088 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.265 5.858 16.935 1.00 0.00 H new ATOM 0 HD3 PRO A 59 21.517 6.555 15.925 1.00 0.00 H new ATOM 815 N GLU A 60 19.038 2.733 15.326 1.00 0.00 N ATOM 816 CA GLU A 60 18.146 1.615 15.609 1.00 0.00 C ATOM 817 C GLU A 60 17.550 1.056 14.320 1.00 0.00 C ATOM 818 O GLU A 60 17.587 -0.150 14.078 1.00 0.00 O ATOM 819 CB GLU A 60 17.025 2.055 16.553 1.00 0.00 C ATOM 820 CG GLU A 60 17.512 2.430 17.943 1.00 0.00 C ATOM 821 CD GLU A 60 16.390 2.901 18.847 1.00 0.00 C ATOM 822 OE1 GLU A 60 15.972 4.070 18.716 1.00 0.00 O ATOM 823 OE2 GLU A 60 15.929 2.099 19.686 1.00 0.00 O ATOM 0 H GLU A 60 18.658 3.648 15.569 1.00 0.00 H new ATOM 0 HA GLU A 60 18.729 0.830 16.090 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.507 2.909 16.116 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.296 1.249 16.638 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.002 1.569 18.397 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.262 3.217 17.861 1.00 0.00 H new ATOM 830 N ALA A 61 16.999 1.942 13.496 1.00 0.00 N ATOM 831 CA ALA A 61 16.397 1.539 12.232 1.00 0.00 C ATOM 832 C ALA A 61 17.388 1.677 11.082 1.00 0.00 C ATOM 833 O ALA A 61 17.366 2.663 10.347 1.00 0.00 O ATOM 834 CB ALA A 61 15.148 2.363 11.956 1.00 0.00 C ATOM 0 H ALA A 61 16.958 2.944 13.682 1.00 0.00 H new ATOM 0 HA ALA A 61 16.117 0.489 12.311 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.709 2.051 11.008 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.426 2.210 12.758 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.413 3.419 11.903 1.00 0.00 H new ATOM 840 N GLN A 62 18.257 0.682 10.934 1.00 0.00 N ATOM 841 CA GLN A 62 19.258 0.694 9.874 1.00 0.00 C ATOM 842 C GLN A 62 19.091 -0.511 8.954 1.00 0.00 C ATOM 843 O GLN A 62 19.048 -0.370 7.731 1.00 0.00 O ATOM 844 CB GLN A 62 20.666 0.702 10.472 1.00 0.00 C ATOM 845 CG GLN A 62 20.981 1.960 11.266 1.00 0.00 C ATOM 846 CD GLN A 62 22.471 2.177 11.447 1.00 0.00 C ATOM 847 OE1 GLN A 62 23.175 1.319 11.981 1.00 0.00 O ATOM 848 NE2 GLN A 62 22.960 3.329 11.002 1.00 0.00 N ATOM 0 H GLN A 62 18.288 -0.142 11.534 1.00 0.00 H new ATOM 0 HA GLN A 62 19.116 1.600 9.286 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.781 -0.166 11.121 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.394 0.598 9.668 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.551 2.823 10.758 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.505 1.896 12.245 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.340 4.012 10.566 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.955 3.531 11.096 1.00 0.00 H new ATOM 857 N ARG A 63 18.998 -1.695 9.549 1.00 0.00 N ATOM 858 CA ARG A 63 18.838 -2.925 8.783 1.00 0.00 C ATOM 859 C ARG A 63 17.450 -3.523 8.998 1.00 0.00 C ATOM 860 O ARG A 63 17.309 -4.729 9.199 1.00 0.00 O ATOM 861 CB ARG A 63 19.910 -3.942 9.179 1.00 0.00 C ATOM 862 CG ARG A 63 20.013 -5.121 8.226 1.00 0.00 C ATOM 863 CD ARG A 63 20.836 -4.773 6.996 1.00 0.00 C ATOM 864 NE ARG A 63 20.591 -5.698 5.893 1.00 0.00 N ATOM 865 CZ ARG A 63 21.338 -5.748 4.795 1.00 0.00 C ATOM 866 NH1 ARG A 63 22.371 -4.929 4.655 1.00 0.00 N ATOM 867 NH2 ARG A 63 21.051 -6.618 3.835 1.00 0.00 N ATOM 0 H ARG A 63 19.031 -1.829 10.560 1.00 0.00 H new ATOM 0 HA ARG A 63 18.951 -2.682 7.726 1.00 0.00 H new ATOM 0 HB2 ARG A 63 20.876 -3.439 9.227 1.00 0.00 H new ATOM 0 HB3 ARG A 63 19.694 -4.313 10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 63 20.467 -5.968 8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 63 19.014 -5.432 7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 63 20.599 -3.758 6.677 1.00 0.00 H new ATOM 0 HD3 ARG A 63 21.895 -4.788 7.253 1.00 0.00 H new ATOM 0 HE ARG A 63 19.803 -6.341 5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 63 22.594 -4.259 5.391 1.00 0.00 H new ATOM 0 HH12 ARG A 63 22.943 -4.969 3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 63 20.256 -7.249 3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 63 21.625 -6.656 2.993 1.00 0.00 H new ATOM 881 N GLU A 64 16.431 -2.671 8.955 1.00 0.00 N ATOM 882 CA GLU A 64 15.056 -3.115 9.147 1.00 0.00 C ATOM 883 C GLU A 64 14.311 -3.168 7.816 1.00 0.00 C ATOM 884 O GLU A 64 14.705 -2.524 6.844 1.00 0.00 O ATOM 885 CB GLU A 64 14.326 -2.183 10.116 1.00 0.00 C ATOM 886 CG GLU A 64 13.194 -2.858 10.873 1.00 0.00 C ATOM 887 CD GLU A 64 13.611 -4.177 11.493 1.00 0.00 C ATOM 888 OE1 GLU A 64 13.571 -5.205 10.785 1.00 0.00 O ATOM 889 OE2 GLU A 64 13.980 -4.181 12.686 1.00 0.00 O ATOM 0 H GLU A 64 16.532 -1.670 8.789 1.00 0.00 H new ATOM 0 HA GLU A 64 15.081 -4.119 9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.044 -1.783 10.833 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.925 -1.336 9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.837 -2.190 11.656 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.359 -3.028 10.194 1.00 0.00 H new ATOM 896 N THR A 65 13.230 -3.942 7.780 1.00 0.00 N ATOM 897 CA THR A 65 12.430 -4.081 6.570 1.00 0.00 C ATOM 898 C THR A 65 10.944 -3.923 6.872 1.00 0.00 C ATOM 899 O THR A 65 10.386 -4.652 7.692 1.00 0.00 O ATOM 900 CB THR A 65 12.663 -5.447 5.897 1.00 0.00 C ATOM 901 OG1 THR A 65 12.451 -6.501 6.843 1.00 0.00 O ATOM 902 CG2 THR A 65 14.073 -5.539 5.333 1.00 0.00 C ATOM 0 H THR A 65 12.889 -4.482 8.575 1.00 0.00 H new ATOM 0 HA THR A 65 12.746 -3.290 5.890 1.00 0.00 H new ATOM 0 HB THR A 65 11.954 -5.549 5.076 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.723 -6.254 7.450 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.214 -6.512 4.863 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.220 -4.753 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.796 -5.418 6.140 1.00 0.00 H new ATOM 910 N VAL A 66 10.308 -2.966 6.203 1.00 0.00 N ATOM 911 CA VAL A 66 8.885 -2.713 6.399 1.00 0.00 C ATOM 912 C VAL A 66 8.090 -3.042 5.140 1.00 0.00 C ATOM 913 O VAL A 66 8.663 -3.287 4.078 1.00 0.00 O ATOM 914 CB VAL A 66 8.624 -1.246 6.789 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.245 -0.935 8.142 1.00 0.00 C ATOM 916 CG2 VAL A 66 9.160 -0.308 5.719 1.00 0.00 C ATOM 0 H VAL A 66 10.755 -2.354 5.521 1.00 0.00 H new ATOM 0 HA VAL A 66 8.557 -3.361 7.212 1.00 0.00 H new ATOM 0 HB VAL A 66 7.547 -1.094 6.867 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.050 0.106 8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.809 -1.585 8.900 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.321 -1.102 8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.967 0.724 6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.234 -0.459 5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.664 -0.516 4.771 1.00 0.00 H new ATOM 926 N PHE A 67 6.767 -3.045 5.266 1.00 0.00 N ATOM 927 CA PHE A 67 5.893 -3.344 4.139 1.00 0.00 C ATOM 928 C PHE A 67 5.324 -2.063 3.537 1.00 0.00 C ATOM 929 O PHE A 67 4.812 -1.202 4.252 1.00 0.00 O ATOM 930 CB PHE A 67 4.752 -4.264 4.580 1.00 0.00 C ATOM 931 CG PHE A 67 5.210 -5.636 4.984 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.517 -6.588 4.025 1.00 0.00 C ATOM 933 CD2 PHE A 67 5.335 -5.974 6.322 1.00 0.00 C ATOM 934 CE1 PHE A 67 5.938 -7.852 4.393 1.00 0.00 C ATOM 935 CE2 PHE A 67 5.756 -7.236 6.696 1.00 0.00 C ATOM 936 CZ PHE A 67 6.059 -8.176 5.730 1.00 0.00 C ATOM 0 H PHE A 67 6.277 -2.844 6.138 1.00 0.00 H new ATOM 0 HA PHE A 67 6.485 -3.851 3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.228 -3.804 5.417 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.034 -4.355 3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.426 -6.339 2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.101 -5.243 7.081 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.172 -8.586 3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.848 -7.487 7.742 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.390 -9.162 6.020 1.00 0.00 H new ATOM 946 N VAL A 68 5.418 -1.944 2.216 1.00 0.00 N ATOM 947 CA VAL A 68 4.913 -0.769 1.517 1.00 0.00 C ATOM 948 C VAL A 68 4.082 -1.167 0.302 1.00 0.00 C ATOM 949 O VAL A 68 4.110 -2.319 -0.133 1.00 0.00 O ATOM 950 CB VAL A 68 6.062 0.150 1.060 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.876 0.620 2.256 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.946 -0.565 0.050 1.00 0.00 C ATOM 0 H VAL A 68 5.839 -2.647 1.609 1.00 0.00 H new ATOM 0 HA VAL A 68 4.283 -0.228 2.223 1.00 0.00 H new ATOM 0 HB VAL A 68 5.633 1.027 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.683 1.268 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.232 1.172 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.297 -0.243 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.752 0.099 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.369 -1.460 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.351 -0.847 -0.819 1.00 0.00 H new ATOM 962 N CYS A 69 3.344 -0.207 -0.244 1.00 0.00 N ATOM 963 CA CYS A 69 2.505 -0.455 -1.410 1.00 0.00 C ATOM 964 C CYS A 69 3.303 -0.292 -2.700 1.00 0.00 C ATOM 965 O CYS A 69 4.170 0.575 -2.800 1.00 0.00 O ATOM 966 CB CYS A 69 1.307 0.496 -1.415 1.00 0.00 C ATOM 967 SG CYS A 69 1.731 2.223 -1.810 1.00 0.00 S ATOM 0 H CYS A 69 3.310 0.752 0.103 1.00 0.00 H new ATOM 0 HA CYS A 69 2.145 -1.482 -1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.575 0.138 -2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.828 0.465 -0.436 1.00 0.00 H new ATOM 972 N ALA A 70 3.004 -1.133 -3.685 1.00 0.00 N ATOM 973 CA ALA A 70 3.692 -1.081 -4.969 1.00 0.00 C ATOM 974 C ALA A 70 3.956 0.360 -5.392 1.00 0.00 C ATOM 975 O ALA A 70 5.092 0.732 -5.685 1.00 0.00 O ATOM 976 CB ALA A 70 2.879 -1.805 -6.032 1.00 0.00 C ATOM 0 H ALA A 70 2.290 -1.858 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 70 4.654 -1.582 -4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.404 -1.759 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.746 -2.847 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.904 -1.329 -6.131 1.00 0.00 H new ATOM 982 N SER A 71 2.900 1.166 -5.423 1.00 0.00 N ATOM 983 CA SER A 71 3.017 2.566 -5.815 1.00 0.00 C ATOM 984 C SER A 71 4.257 3.202 -5.193 1.00 0.00 C ATOM 985 O SER A 71 4.961 3.978 -5.839 1.00 0.00 O ATOM 986 CB SER A 71 1.767 3.342 -5.395 1.00 0.00 C ATOM 987 OG SER A 71 1.953 4.736 -5.564 1.00 0.00 O ATOM 0 H SER A 71 1.953 0.874 -5.181 1.00 0.00 H new ATOM 0 HA SER A 71 3.114 2.607 -6.900 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.914 3.011 -5.987 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.534 3.127 -4.352 1.00 0.00 H new ATOM 0 HG SER A 71 1.140 5.210 -5.290 1.00 0.00 H new ATOM 993 N CYS A 72 4.518 2.866 -3.934 1.00 0.00 N ATOM 994 CA CYS A 72 5.672 3.403 -3.223 1.00 0.00 C ATOM 995 C CYS A 72 6.932 2.608 -3.552 1.00 0.00 C ATOM 996 O CYS A 72 7.898 3.151 -4.087 1.00 0.00 O ATOM 997 CB CYS A 72 5.421 3.382 -1.714 1.00 0.00 C ATOM 998 SG CYS A 72 4.193 4.602 -1.146 1.00 0.00 S ATOM 0 H CYS A 72 3.946 2.224 -3.385 1.00 0.00 H new ATOM 0 HA CYS A 72 5.820 4.433 -3.546 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.087 2.385 -1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.363 3.564 -1.197 1.00 0.00 H new ATOM 1003 N ASN A 73 6.914 1.320 -3.227 1.00 0.00 N ATOM 1004 CA ASN A 73 8.055 0.450 -3.487 1.00 0.00 C ATOM 1005 C ASN A 73 8.742 0.830 -4.795 1.00 0.00 C ATOM 1006 O ASN A 73 9.967 0.783 -4.900 1.00 0.00 O ATOM 1007 CB ASN A 73 7.607 -1.012 -3.541 1.00 0.00 C ATOM 1008 CG ASN A 73 8.754 -1.958 -3.838 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.283 -2.612 -2.939 1.00 0.00 O ATOM 1010 ND2 ASN A 73 9.143 -2.035 -5.106 1.00 0.00 N ATOM 0 H ASN A 73 6.122 0.855 -2.783 1.00 0.00 H new ATOM 0 HA ASN A 73 8.768 0.575 -2.672 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.152 -1.285 -2.589 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.839 -1.126 -4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.909 -2.655 -5.368 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.675 -1.474 -5.818 1.00 0.00 H new ATOM 1017 N GLN A 74 7.944 1.208 -5.789 1.00 0.00 N ATOM 1018 CA GLN A 74 8.475 1.597 -7.090 1.00 0.00 C ATOM 1019 C GLN A 74 9.158 2.959 -7.014 1.00 0.00 C ATOM 1020 O GLN A 74 10.246 3.151 -7.558 1.00 0.00 O ATOM 1021 CB GLN A 74 7.356 1.632 -8.132 1.00 0.00 C ATOM 1022 CG GLN A 74 6.864 0.254 -8.542 1.00 0.00 C ATOM 1023 CD GLN A 74 5.840 0.309 -9.659 1.00 0.00 C ATOM 1024 OE1 GLN A 74 5.105 1.287 -9.796 1.00 0.00 O ATOM 1025 NE2 GLN A 74 5.787 -0.745 -10.466 1.00 0.00 N ATOM 0 H GLN A 74 6.927 1.253 -5.718 1.00 0.00 H new ATOM 0 HA GLN A 74 9.216 0.855 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.518 2.204 -7.734 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.711 2.160 -9.017 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.713 -0.351 -8.862 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.426 -0.244 -7.677 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.415 -1.534 -10.316 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.118 -0.765 -11.236 1.00 0.00 H new ATOM 1034 N THR A 75 8.513 3.902 -6.335 1.00 0.00 N ATOM 1035 CA THR A 75 9.057 5.246 -6.189 1.00 0.00 C ATOM 1036 C THR A 75 10.327 5.237 -5.347 1.00 0.00 C ATOM 1037 O THR A 75 11.318 5.884 -5.691 1.00 0.00 O ATOM 1038 CB THR A 75 8.034 6.199 -5.542 1.00 0.00 C ATOM 1039 OG1 THR A 75 6.834 6.234 -6.324 1.00 0.00 O ATOM 1040 CG2 THR A 75 8.605 7.604 -5.419 1.00 0.00 C ATOM 0 H THR A 75 7.613 3.760 -5.877 1.00 0.00 H new ATOM 0 HA THR A 75 9.291 5.602 -7.192 1.00 0.00 H new ATOM 0 HB THR A 75 7.806 5.827 -4.543 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.278 5.458 -6.104 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.865 8.259 -4.959 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.502 7.579 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.858 7.982 -6.410 1.00 0.00 H new ATOM 1048 N LEU A 76 10.294 4.499 -4.243 1.00 0.00 N ATOM 1049 CA LEU A 76 11.445 4.404 -3.351 1.00 0.00 C ATOM 1050 C LEU A 76 12.652 3.821 -4.079 1.00 0.00 C ATOM 1051 O LEU A 76 13.732 4.411 -4.082 1.00 0.00 O ATOM 1052 CB LEU A 76 11.103 3.542 -2.135 1.00 0.00 C ATOM 1053 CG LEU A 76 9.966 4.051 -1.249 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.640 3.038 -0.163 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.329 5.395 -0.635 1.00 0.00 C ATOM 0 H LEU A 76 9.483 3.958 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 76 11.698 5.410 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.845 2.542 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.998 3.443 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 76 9.080 4.185 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.828 3.418 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.336 2.097 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.522 2.871 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.508 5.742 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.228 5.287 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.511 6.120 -1.428 1.00 0.00 H new ATOM 1067 N SER A 77 12.459 2.660 -4.697 1.00 0.00 N ATOM 1068 CA SER A 77 13.532 1.996 -5.428 1.00 0.00 C ATOM 1069 C SER A 77 14.020 2.864 -6.584 1.00 0.00 C ATOM 1070 O SER A 77 15.223 2.999 -6.811 1.00 0.00 O ATOM 1071 CB SER A 77 13.056 0.642 -5.957 1.00 0.00 C ATOM 1072 OG SER A 77 14.148 -0.147 -6.395 1.00 0.00 O ATOM 0 H SER A 77 11.570 2.160 -4.706 1.00 0.00 H new ATOM 0 HA SER A 77 14.363 1.837 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.512 0.113 -5.174 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.360 0.795 -6.782 1.00 0.00 H new ATOM 0 HG SER A 77 13.817 -1.008 -6.727 1.00 0.00 H new ATOM 1078 N LYS A 78 13.077 3.451 -7.314 1.00 0.00 N ATOM 1079 CA LYS A 78 13.408 4.307 -8.447 1.00 0.00 C ATOM 1080 C LYS A 78 14.408 5.385 -8.040 1.00 0.00 C ATOM 1081 O LYS A 78 15.395 5.623 -8.736 1.00 0.00 O ATOM 1082 CB LYS A 78 12.141 4.957 -9.008 1.00 0.00 C ATOM 1083 CG LYS A 78 12.401 5.874 -10.190 1.00 0.00 C ATOM 1084 CD LYS A 78 11.179 5.988 -11.086 1.00 0.00 C ATOM 1085 CE LYS A 78 10.971 4.725 -11.908 1.00 0.00 C ATOM 1086 NZ LYS A 78 9.793 4.839 -12.811 1.00 0.00 N ATOM 0 H LYS A 78 12.077 3.349 -7.141 1.00 0.00 H new ATOM 0 HA LYS A 78 13.863 3.687 -9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.445 4.175 -9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.654 5.527 -8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.682 6.863 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.243 5.494 -10.768 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.295 6.176 -10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.294 6.843 -11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.864 4.526 -12.500 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.835 3.875 -11.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.685 3.958 -13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.936 5.004 -12.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.933 5.634 -13.466 1.00 0.00 H new ATOM 1100 N SER A 79 14.146 6.032 -6.909 1.00 0.00 N ATOM 1101 CA SER A 79 15.022 7.086 -6.412 1.00 0.00 C ATOM 1102 C SER A 79 14.956 8.317 -7.311 1.00 0.00 C ATOM 1103 O SER A 79 15.977 8.930 -7.620 1.00 0.00 O ATOM 1104 CB SER A 79 16.464 6.582 -6.325 1.00 0.00 C ATOM 1105 OG SER A 79 17.250 7.422 -5.498 1.00 0.00 O ATOM 0 H SER A 79 13.335 5.845 -6.320 1.00 0.00 H new ATOM 0 HA SER A 79 14.681 7.366 -5.415 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.474 5.566 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 79 16.899 6.540 -7.324 1.00 0.00 H new ATOM 0 HG SER A 79 17.171 8.349 -5.805 1.00 0.00 H new ATOM 1111 N GLY A 80 13.744 8.673 -7.728 1.00 0.00 N ATOM 1112 CA GLY A 80 13.565 9.829 -8.587 1.00 0.00 C ATOM 1113 C GLY A 80 12.485 10.765 -8.083 1.00 0.00 C ATOM 1114 O GLY A 80 11.309 10.630 -8.423 1.00 0.00 O ATOM 0 H GLY A 80 12.884 8.181 -7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.507 10.372 -8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.311 9.494 -9.593 1.00 0.00 H new ATOM 1118 N PRO A 81 12.881 11.738 -7.250 1.00 0.00 N ATOM 1119 CA PRO A 81 11.952 12.718 -6.679 1.00 0.00 C ATOM 1120 C PRO A 81 11.424 13.694 -7.725 1.00 0.00 C ATOM 1121 O PRO A 81 12.098 14.659 -8.083 1.00 0.00 O ATOM 1122 CB PRO A 81 12.806 13.455 -5.643 1.00 0.00 C ATOM 1123 CG PRO A 81 14.206 13.301 -6.129 1.00 0.00 C ATOM 1124 CD PRO A 81 14.266 11.958 -6.801 1.00 0.00 C ATOM 0 HA PRO A 81 11.065 12.243 -6.260 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.524 14.506 -5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.682 13.025 -4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.467 14.098 -6.825 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.914 13.356 -5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.964 11.958 -7.638 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.594 11.179 -6.113 1.00 0.00 H new ATOM 1132 N SER A 82 10.214 13.436 -8.210 1.00 0.00 N ATOM 1133 CA SER A 82 9.596 14.290 -9.218 1.00 0.00 C ATOM 1134 C SER A 82 9.624 15.752 -8.782 1.00 0.00 C ATOM 1135 O SER A 82 10.049 16.628 -9.535 1.00 0.00 O ATOM 1136 CB SER A 82 8.154 13.850 -9.475 1.00 0.00 C ATOM 1137 OG SER A 82 7.411 13.809 -8.269 1.00 0.00 O ATOM 0 H SER A 82 9.642 12.642 -7.921 1.00 0.00 H new ATOM 0 HA SER A 82 10.168 14.193 -10.141 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.680 14.538 -10.175 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.149 12.866 -9.943 1.00 0.00 H new ATOM 0 HG SER A 82 6.492 13.527 -8.460 1.00 0.00 H new ATOM 1143 N SER A 83 9.168 16.007 -7.560 1.00 0.00 N ATOM 1144 CA SER A 83 9.137 17.363 -7.024 1.00 0.00 C ATOM 1145 C SER A 83 9.711 17.402 -5.611 1.00 0.00 C ATOM 1146 O SER A 83 9.699 16.400 -4.896 1.00 0.00 O ATOM 1147 CB SER A 83 7.704 17.899 -7.019 1.00 0.00 C ATOM 1148 OG SER A 83 7.604 19.081 -6.243 1.00 0.00 O ATOM 0 H SER A 83 8.815 15.293 -6.923 1.00 0.00 H new ATOM 0 HA SER A 83 9.752 17.995 -7.665 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.385 18.103 -8.041 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.030 17.141 -6.621 1.00 0.00 H new ATOM 0 HG SER A 83 6.679 19.404 -6.257 1.00 0.00 H new ATOM 1154 N GLY A 84 10.214 18.567 -5.214 1.00 0.00 N ATOM 1155 CA GLY A 84 10.786 18.716 -3.889 1.00 0.00 C ATOM 1156 C GLY A 84 9.970 19.639 -3.006 1.00 0.00 C ATOM 1157 O GLY A 84 9.058 20.296 -3.506 1.00 0.00 O ATOM 0 H GLY A 84 10.235 19.411 -5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.859 17.737 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.801 19.105 -3.976 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.213 -3.301 -4.403 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.487 3.502 -0.027 1.00 0.00 ZN