USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -57:sc= 0.132 USER MOD Set 1.2: A 41 ASN : amide:sc= -1.45 K(o=-1.3,f=-6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00165 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.6!) USER MOD Single : A 16 LYS NZ :NH3+ -117:sc= -0.439 (180deg=-2.07!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.0672 X(o=-0.067,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0057) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 53 THR OG1 : rot -61:sc= 1.28 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 48.801 -25.808 -21.245 1.00 0.00 N ATOM 2 CA GLY A 1 50.092 -25.147 -21.224 1.00 0.00 C ATOM 3 C GLY A 1 49.969 -23.637 -21.166 1.00 0.00 C ATOM 4 O GLY A 1 50.456 -23.003 -20.230 1.00 0.00 O ATOM 0 H1 GLY A 1 48.939 -26.838 -21.285 1.00 0.00 H new ATOM 0 H2 GLY A 1 48.271 -25.563 -20.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 48.266 -25.498 -22.081 1.00 0.00 H new ATOM 0 HA2 GLY A 1 50.661 -25.496 -20.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 50.656 -25.429 -22.113 1.00 0.00 H new ATOM 8 N SER A 2 49.317 -23.059 -22.170 1.00 0.00 N ATOM 9 CA SER A 2 49.136 -21.613 -22.232 1.00 0.00 C ATOM 10 C SER A 2 47.773 -21.212 -21.677 1.00 0.00 C ATOM 11 O SER A 2 47.620 -20.142 -21.089 1.00 0.00 O ATOM 12 CB SER A 2 49.276 -21.122 -23.674 1.00 0.00 C ATOM 13 OG SER A 2 48.448 -21.868 -24.550 1.00 0.00 O ATOM 0 H SER A 2 48.905 -23.570 -22.951 1.00 0.00 H new ATOM 0 HA SER A 2 49.909 -21.148 -21.620 1.00 0.00 H new ATOM 0 HB2 SER A 2 49.011 -20.066 -23.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 50.315 -21.207 -23.991 1.00 0.00 H new ATOM 0 HG SER A 2 48.555 -21.533 -25.465 1.00 0.00 H new ATOM 19 N SER A 3 46.784 -22.079 -21.869 1.00 0.00 N ATOM 20 CA SER A 3 45.432 -21.815 -21.391 1.00 0.00 C ATOM 21 C SER A 3 45.002 -22.863 -20.369 1.00 0.00 C ATOM 22 O SER A 3 44.953 -24.055 -20.669 1.00 0.00 O ATOM 23 CB SER A 3 44.449 -21.796 -22.563 1.00 0.00 C ATOM 24 OG SER A 3 44.466 -20.541 -23.223 1.00 0.00 O ATOM 0 H SER A 3 46.894 -22.970 -22.352 1.00 0.00 H new ATOM 0 HA SER A 3 45.429 -20.838 -20.907 1.00 0.00 H new ATOM 0 HB2 SER A 3 44.705 -22.585 -23.270 1.00 0.00 H new ATOM 0 HB3 SER A 3 43.443 -22.007 -22.201 1.00 0.00 H new ATOM 0 HG SER A 3 43.831 -20.555 -23.969 1.00 0.00 H new ATOM 30 N GLY A 4 44.691 -22.409 -19.159 1.00 0.00 N ATOM 31 CA GLY A 4 44.270 -23.319 -18.110 1.00 0.00 C ATOM 32 C GLY A 4 43.856 -22.594 -16.845 1.00 0.00 C ATOM 33 O GLY A 4 44.492 -22.740 -15.801 1.00 0.00 O ATOM 0 H GLY A 4 44.723 -21.427 -18.886 1.00 0.00 H new ATOM 0 HA2 GLY A 4 43.436 -23.922 -18.469 1.00 0.00 H new ATOM 0 HA3 GLY A 4 45.084 -24.006 -17.881 1.00 0.00 H new ATOM 37 N SER A 5 42.787 -21.809 -16.938 1.00 0.00 N ATOM 38 CA SER A 5 42.292 -21.054 -15.792 1.00 0.00 C ATOM 39 C SER A 5 41.071 -21.734 -15.180 1.00 0.00 C ATOM 40 O SER A 5 40.144 -22.125 -15.889 1.00 0.00 O ATOM 41 CB SER A 5 41.938 -19.625 -16.211 1.00 0.00 C ATOM 42 OG SER A 5 43.019 -19.011 -16.891 1.00 0.00 O ATOM 0 H SER A 5 42.248 -21.679 -17.794 1.00 0.00 H new ATOM 0 HA SER A 5 43.082 -21.020 -15.041 1.00 0.00 H new ATOM 0 HB2 SER A 5 41.059 -19.639 -16.856 1.00 0.00 H new ATOM 0 HB3 SER A 5 41.678 -19.038 -15.330 1.00 0.00 H new ATOM 0 HG SER A 5 42.768 -18.100 -17.150 1.00 0.00 H new ATOM 48 N SER A 6 41.079 -21.870 -13.858 1.00 0.00 N ATOM 49 CA SER A 6 39.975 -22.506 -13.149 1.00 0.00 C ATOM 50 C SER A 6 38.905 -21.483 -12.779 1.00 0.00 C ATOM 51 O SER A 6 37.713 -21.717 -12.970 1.00 0.00 O ATOM 52 CB SER A 6 40.486 -23.205 -11.888 1.00 0.00 C ATOM 53 OG SER A 6 41.117 -22.284 -11.014 1.00 0.00 O ATOM 0 H SER A 6 41.837 -21.548 -13.256 1.00 0.00 H new ATOM 0 HA SER A 6 39.530 -23.248 -13.812 1.00 0.00 H new ATOM 0 HB2 SER A 6 39.655 -23.688 -11.374 1.00 0.00 H new ATOM 0 HB3 SER A 6 41.190 -23.990 -12.164 1.00 0.00 H new ATOM 0 HG SER A 6 41.433 -22.755 -10.215 1.00 0.00 H new ATOM 59 N GLY A 7 39.343 -20.345 -12.247 1.00 0.00 N ATOM 60 CA GLY A 7 38.412 -19.302 -11.858 1.00 0.00 C ATOM 61 C GLY A 7 37.863 -19.507 -10.460 1.00 0.00 C ATOM 62 O GLY A 7 38.567 -19.990 -9.575 1.00 0.00 O ATOM 0 H GLY A 7 40.325 -20.127 -12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 7 38.912 -18.335 -11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.586 -19.273 -12.569 1.00 0.00 H new ATOM 66 N MET A 8 36.602 -19.136 -10.261 1.00 0.00 N ATOM 67 CA MET A 8 35.959 -19.282 -8.960 1.00 0.00 C ATOM 68 C MET A 8 34.554 -19.856 -9.109 1.00 0.00 C ATOM 69 O MET A 8 33.952 -19.779 -10.180 1.00 0.00 O ATOM 70 CB MET A 8 35.898 -17.931 -8.244 1.00 0.00 C ATOM 71 CG MET A 8 34.893 -16.966 -8.851 1.00 0.00 C ATOM 72 SD MET A 8 35.570 -16.045 -10.246 1.00 0.00 S ATOM 73 CE MET A 8 34.092 -15.769 -11.219 1.00 0.00 C ATOM 0 H MET A 8 36.006 -18.732 -10.983 1.00 0.00 H new ATOM 0 HA MET A 8 36.553 -19.975 -8.364 1.00 0.00 H new ATOM 0 HB2 MET A 8 35.645 -18.095 -7.197 1.00 0.00 H new ATOM 0 HB3 MET A 8 36.887 -17.473 -8.265 1.00 0.00 H new ATOM 0 HG2 MET A 8 34.014 -17.521 -9.179 1.00 0.00 H new ATOM 0 HG3 MET A 8 34.560 -16.265 -8.085 1.00 0.00 H new ATOM 0 HE1 MET A 8 34.348 -15.209 -12.119 1.00 0.00 H new ATOM 0 HE2 MET A 8 33.657 -16.728 -11.500 1.00 0.00 H new ATOM 0 HE3 MET A 8 33.370 -15.202 -10.631 1.00 0.00 H new ATOM 83 N ALA A 9 34.037 -20.431 -8.028 1.00 0.00 N ATOM 84 CA ALA A 9 32.702 -21.017 -8.039 1.00 0.00 C ATOM 85 C ALA A 9 31.720 -20.158 -7.250 1.00 0.00 C ATOM 86 O ALA A 9 32.079 -19.563 -6.234 1.00 0.00 O ATOM 87 CB ALA A 9 32.741 -22.430 -7.477 1.00 0.00 C ATOM 0 H ALA A 9 34.522 -20.504 -7.134 1.00 0.00 H new ATOM 0 HA ALA A 9 32.359 -21.059 -9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 9 31.737 -22.855 -7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 9 33.404 -23.045 -8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 9 33.109 -22.404 -6.451 1.00 0.00 H new ATOM 93 N SER A 10 30.480 -20.098 -7.724 1.00 0.00 N ATOM 94 CA SER A 10 29.447 -19.308 -7.064 1.00 0.00 C ATOM 95 C SER A 10 28.181 -20.134 -6.856 1.00 0.00 C ATOM 96 O SER A 10 27.610 -20.665 -7.807 1.00 0.00 O ATOM 97 CB SER A 10 29.125 -18.060 -7.889 1.00 0.00 C ATOM 98 OG SER A 10 28.628 -17.019 -7.066 1.00 0.00 O ATOM 0 H SER A 10 30.166 -20.587 -8.562 1.00 0.00 H new ATOM 0 HA SER A 10 29.825 -19.003 -6.088 1.00 0.00 H new ATOM 0 HB2 SER A 10 30.022 -17.721 -8.407 1.00 0.00 H new ATOM 0 HB3 SER A 10 28.389 -18.306 -8.654 1.00 0.00 H new ATOM 0 HG SER A 10 28.432 -16.232 -7.616 1.00 0.00 H new ATOM 104 N GLY A 11 27.749 -20.237 -5.603 1.00 0.00 N ATOM 105 CA GLY A 11 26.554 -21.000 -5.291 1.00 0.00 C ATOM 106 C GLY A 11 26.198 -20.943 -3.819 1.00 0.00 C ATOM 107 O GLY A 11 26.049 -21.978 -3.170 1.00 0.00 O ATOM 0 H GLY A 11 28.205 -19.806 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 11 25.719 -20.618 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 11 26.703 -22.039 -5.586 1.00 0.00 H new ATOM 111 N GLN A 12 26.064 -19.731 -3.290 1.00 0.00 N ATOM 112 CA GLN A 12 25.725 -19.544 -1.884 1.00 0.00 C ATOM 113 C GLN A 12 24.449 -18.723 -1.736 1.00 0.00 C ATOM 114 O GLN A 12 24.242 -17.743 -2.453 1.00 0.00 O ATOM 115 CB GLN A 12 26.877 -18.857 -1.148 1.00 0.00 C ATOM 116 CG GLN A 12 26.527 -18.435 0.270 1.00 0.00 C ATOM 117 CD GLN A 12 27.747 -18.050 1.083 1.00 0.00 C ATOM 118 OE1 GLN A 12 28.629 -18.873 1.327 1.00 0.00 O ATOM 119 NE2 GLN A 12 27.804 -16.793 1.506 1.00 0.00 N ATOM 0 H GLN A 12 26.185 -18.864 -3.814 1.00 0.00 H new ATOM 0 HA GLN A 12 25.555 -20.526 -1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 12 27.732 -19.533 -1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 12 27.186 -17.978 -1.714 1.00 0.00 H new ATOM 0 HG2 GLN A 12 25.838 -17.591 0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 12 26.005 -19.251 0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.050 -16.144 1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.602 -16.476 2.057 1.00 0.00 H new ATOM 128 N PHE A 13 23.596 -19.128 -0.801 1.00 0.00 N ATOM 129 CA PHE A 13 22.338 -18.431 -0.560 1.00 0.00 C ATOM 130 C PHE A 13 21.949 -18.506 0.914 1.00 0.00 C ATOM 131 O PHE A 13 21.811 -19.592 1.477 1.00 0.00 O ATOM 132 CB PHE A 13 21.225 -19.028 -1.423 1.00 0.00 C ATOM 133 CG PHE A 13 20.707 -20.341 -0.910 1.00 0.00 C ATOM 134 CD1 PHE A 13 21.294 -21.533 -1.302 1.00 0.00 C ATOM 135 CD2 PHE A 13 19.633 -20.383 -0.035 1.00 0.00 C ATOM 136 CE1 PHE A 13 20.818 -22.743 -0.832 1.00 0.00 C ATOM 137 CE2 PHE A 13 19.153 -21.589 0.439 1.00 0.00 C ATOM 138 CZ PHE A 13 19.748 -22.771 0.041 1.00 0.00 C ATOM 0 H PHE A 13 23.753 -19.935 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 13 22.475 -17.384 -0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 13 20.400 -18.318 -1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 13 21.597 -19.165 -2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 13 22.133 -21.517 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 13 19.166 -19.462 0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 13 21.282 -23.666 -1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 13 18.314 -21.608 1.119 1.00 0.00 H new ATOM 0 HZ PHE A 13 19.377 -23.715 0.412 1.00 0.00 H new ATOM 148 N VAL A 14 21.774 -17.343 1.533 1.00 0.00 N ATOM 149 CA VAL A 14 21.400 -17.275 2.941 1.00 0.00 C ATOM 150 C VAL A 14 19.997 -17.827 3.165 1.00 0.00 C ATOM 151 O VAL A 14 19.043 -17.408 2.512 1.00 0.00 O ATOM 152 CB VAL A 14 21.461 -15.829 3.469 1.00 0.00 C ATOM 153 CG1 VAL A 14 22.874 -15.277 3.354 1.00 0.00 C ATOM 154 CG2 VAL A 14 20.473 -14.947 2.721 1.00 0.00 C ATOM 0 H VAL A 14 21.885 -16.435 1.082 1.00 0.00 H new ATOM 0 HA VAL A 14 22.119 -17.885 3.489 1.00 0.00 H new ATOM 0 HB VAL A 14 21.183 -15.834 4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 14 22.897 -14.255 3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 14 23.555 -15.895 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 14 23.184 -15.285 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.529 -13.929 3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 14 20.717 -14.947 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.463 -15.332 2.861 1.00 0.00 H new ATOM 164 N ASN A 15 19.880 -18.771 4.093 1.00 0.00 N ATOM 165 CA ASN A 15 18.592 -19.382 4.403 1.00 0.00 C ATOM 166 C ASN A 15 17.641 -18.361 5.020 1.00 0.00 C ATOM 167 O ASN A 15 16.438 -18.602 5.126 1.00 0.00 O ATOM 168 CB ASN A 15 18.781 -20.562 5.359 1.00 0.00 C ATOM 169 CG ASN A 15 17.536 -21.420 5.471 1.00 0.00 C ATOM 170 OD1 ASN A 15 16.448 -21.010 5.068 1.00 0.00 O ATOM 171 ND2 ASN A 15 17.691 -22.618 6.022 1.00 0.00 N ATOM 0 H ASN A 15 20.661 -19.129 4.643 1.00 0.00 H new ATOM 0 HA ASN A 15 18.155 -19.743 3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.613 -21.176 5.014 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.050 -20.187 6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.889 -23.240 6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.612 -22.917 6.342 1.00 0.00 H new ATOM 178 N LYS A 16 18.188 -17.221 5.426 1.00 0.00 N ATOM 179 CA LYS A 16 17.389 -16.161 6.031 1.00 0.00 C ATOM 180 C LYS A 16 16.716 -15.308 4.960 1.00 0.00 C ATOM 181 O LYS A 16 16.275 -14.190 5.229 1.00 0.00 O ATOM 182 CB LYS A 16 18.265 -15.280 6.924 1.00 0.00 C ATOM 183 CG LYS A 16 18.737 -15.974 8.189 1.00 0.00 C ATOM 184 CD LYS A 16 17.596 -16.174 9.174 1.00 0.00 C ATOM 185 CE LYS A 16 17.278 -14.891 9.926 1.00 0.00 C ATOM 186 NZ LYS A 16 16.259 -14.069 9.215 1.00 0.00 N ATOM 0 H LYS A 16 19.182 -17.007 5.347 1.00 0.00 H new ATOM 0 HA LYS A 16 16.614 -16.627 6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.134 -14.951 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.706 -14.385 7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.173 -16.940 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.524 -15.383 8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.708 -16.514 8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.860 -16.957 9.884 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.915 -15.136 10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.191 -14.309 10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.679 -13.159 8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.936 -14.575 8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.449 -13.898 9.845 1.00 0.00 H new ATOM 200 N LEU A 17 16.638 -15.843 3.747 1.00 0.00 N ATOM 201 CA LEU A 17 16.017 -15.132 2.635 1.00 0.00 C ATOM 202 C LEU A 17 14.564 -14.790 2.951 1.00 0.00 C ATOM 203 O LEU A 17 13.808 -15.636 3.429 1.00 0.00 O ATOM 204 CB LEU A 17 16.089 -15.974 1.360 1.00 0.00 C ATOM 205 CG LEU A 17 15.731 -15.255 0.059 1.00 0.00 C ATOM 206 CD1 LEU A 17 14.231 -15.020 -0.026 1.00 0.00 C ATOM 207 CD2 LEU A 17 16.486 -13.938 -0.047 1.00 0.00 C ATOM 0 H LEU A 17 16.997 -16.767 3.508 1.00 0.00 H new ATOM 0 HA LEU A 17 16.565 -14.202 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.100 -16.369 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 17 15.422 -16.828 1.475 1.00 0.00 H new ATOM 0 HG LEU A 17 16.026 -15.889 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.995 -14.507 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.711 -15.977 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.910 -14.407 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.219 -13.440 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.222 -13.298 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 17 17.559 -14.131 -0.033 1.00 0.00 H new ATOM 219 N GLN A 18 14.181 -13.547 2.678 1.00 0.00 N ATOM 220 CA GLN A 18 12.818 -13.095 2.932 1.00 0.00 C ATOM 221 C GLN A 18 12.088 -12.804 1.625 1.00 0.00 C ATOM 222 O GLN A 18 12.699 -12.379 0.644 1.00 0.00 O ATOM 223 CB GLN A 18 12.829 -11.845 3.813 1.00 0.00 C ATOM 224 CG GLN A 18 11.462 -11.198 3.969 1.00 0.00 C ATOM 225 CD GLN A 18 11.436 -10.144 5.058 1.00 0.00 C ATOM 226 OE1 GLN A 18 11.647 -8.959 4.796 1.00 0.00 O ATOM 227 NE2 GLN A 18 11.175 -10.569 6.288 1.00 0.00 N ATOM 0 H GLN A 18 14.795 -12.835 2.281 1.00 0.00 H new ATOM 0 HA GLN A 18 12.289 -13.893 3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.211 -12.109 4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.520 -11.117 3.388 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.169 -10.744 3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.724 -11.967 4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.006 -11.560 6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.143 -9.904 7.061 1.00 0.00 H new ATOM 236 N GLU A 19 10.780 -13.037 1.619 1.00 0.00 N ATOM 237 CA GLU A 19 9.968 -12.801 0.431 1.00 0.00 C ATOM 238 C GLU A 19 9.768 -11.306 0.196 1.00 0.00 C ATOM 239 O GLU A 19 9.426 -10.564 1.116 1.00 0.00 O ATOM 240 CB GLU A 19 8.610 -13.492 0.568 1.00 0.00 C ATOM 241 CG GLU A 19 7.826 -13.559 -0.732 1.00 0.00 C ATOM 242 CD GLU A 19 6.743 -14.619 -0.706 1.00 0.00 C ATOM 243 OE1 GLU A 19 7.081 -15.808 -0.531 1.00 0.00 O ATOM 244 OE2 GLU A 19 5.557 -14.260 -0.862 1.00 0.00 O ATOM 0 H GLU A 19 10.260 -13.389 2.423 1.00 0.00 H new ATOM 0 HA GLU A 19 10.496 -13.219 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.763 -14.504 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.016 -12.963 1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.373 -12.587 -0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.511 -13.765 -1.555 1.00 0.00 H new ATOM 251 N GLU A 20 9.986 -10.873 -1.041 1.00 0.00 N ATOM 252 CA GLU A 20 9.832 -9.467 -1.396 1.00 0.00 C ATOM 253 C GLU A 20 8.382 -9.021 -1.233 1.00 0.00 C ATOM 254 O GLU A 20 7.452 -9.783 -1.497 1.00 0.00 O ATOM 255 CB GLU A 20 10.291 -9.228 -2.836 1.00 0.00 C ATOM 256 CG GLU A 20 11.777 -8.936 -2.960 1.00 0.00 C ATOM 257 CD GLU A 20 12.198 -8.649 -4.389 1.00 0.00 C ATOM 258 OE1 GLU A 20 11.991 -9.523 -5.256 1.00 0.00 O ATOM 259 OE2 GLU A 20 12.733 -7.548 -4.639 1.00 0.00 O ATOM 0 H GLU A 20 10.270 -11.475 -1.814 1.00 0.00 H new ATOM 0 HA GLU A 20 10.454 -8.878 -0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.050 -10.106 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.729 -8.393 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.029 -8.081 -2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.344 -9.787 -2.582 1.00 0.00 H new ATOM 266 N VAL A 21 8.197 -7.780 -0.794 1.00 0.00 N ATOM 267 CA VAL A 21 6.861 -7.230 -0.595 1.00 0.00 C ATOM 268 C VAL A 21 6.747 -5.832 -1.192 1.00 0.00 C ATOM 269 O VAL A 21 7.460 -4.914 -0.787 1.00 0.00 O ATOM 270 CB VAL A 21 6.496 -7.170 0.900 1.00 0.00 C ATOM 271 CG1 VAL A 21 5.116 -6.559 1.089 1.00 0.00 C ATOM 272 CG2 VAL A 21 6.563 -8.557 1.521 1.00 0.00 C ATOM 0 H VAL A 21 8.956 -7.136 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 21 6.165 -7.897 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 21 7.221 -6.534 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.876 -6.525 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.107 -5.548 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.375 -7.166 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.302 -8.496 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.862 -9.218 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.573 -8.953 1.419 1.00 0.00 H new ATOM 282 N ILE A 22 5.846 -5.678 -2.156 1.00 0.00 N ATOM 283 CA ILE A 22 5.638 -4.391 -2.807 1.00 0.00 C ATOM 284 C ILE A 22 4.180 -3.953 -2.707 1.00 0.00 C ATOM 285 O ILE A 22 3.274 -4.785 -2.647 1.00 0.00 O ATOM 286 CB ILE A 22 6.047 -4.438 -4.291 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.518 -4.836 -4.425 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.794 -3.092 -4.954 1.00 0.00 C ATOM 289 CD1 ILE A 22 7.906 -5.255 -5.826 1.00 0.00 C ATOM 0 H ILE A 22 5.249 -6.428 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 22 6.268 -3.669 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 22 5.440 -5.189 -4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.142 -3.996 -4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.728 -5.656 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.088 -3.142 -6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.734 -2.846 -4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.378 -2.322 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.962 -5.523 -5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.307 -6.115 -6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.728 -4.429 -6.515 1.00 0.00 H new ATOM 301 N CYS A 23 3.962 -2.643 -2.691 1.00 0.00 N ATOM 302 CA CYS A 23 2.614 -2.093 -2.600 1.00 0.00 C ATOM 303 C CYS A 23 1.888 -2.208 -3.937 1.00 0.00 C ATOM 304 O CYS A 23 2.267 -1.592 -4.933 1.00 0.00 O ATOM 305 CB CYS A 23 2.667 -0.628 -2.161 1.00 0.00 C ATOM 306 SG CYS A 23 1.213 -0.085 -1.208 1.00 0.00 S ATOM 0 H CYS A 23 4.701 -1.942 -2.740 1.00 0.00 H new ATOM 0 HA CYS A 23 2.063 -2.669 -1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.562 -0.472 -1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.765 0.002 -3.045 1.00 0.00 H new ATOM 311 N PRO A 24 0.818 -3.016 -3.961 1.00 0.00 N ATOM 312 CA PRO A 24 0.015 -3.231 -5.169 1.00 0.00 C ATOM 313 C PRO A 24 -0.787 -1.995 -5.559 1.00 0.00 C ATOM 314 O PRO A 24 -1.419 -1.962 -6.616 1.00 0.00 O ATOM 315 CB PRO A 24 -0.923 -4.375 -4.773 1.00 0.00 C ATOM 316 CG PRO A 24 -1.026 -4.283 -3.289 1.00 0.00 C ATOM 317 CD PRO A 24 0.309 -3.782 -2.811 1.00 0.00 C ATOM 0 HA PRO A 24 0.636 -3.452 -6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.900 -4.268 -5.245 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.523 -5.340 -5.083 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.826 -3.603 -2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.257 -5.255 -2.853 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.209 -3.156 -1.924 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.976 -4.603 -2.548 1.00 0.00 H new ATOM 325 N ILE A 25 -0.758 -0.981 -4.701 1.00 0.00 N ATOM 326 CA ILE A 25 -1.482 0.258 -4.958 1.00 0.00 C ATOM 327 C ILE A 25 -0.612 1.256 -5.714 1.00 0.00 C ATOM 328 O ILE A 25 -0.897 1.602 -6.861 1.00 0.00 O ATOM 329 CB ILE A 25 -1.969 0.907 -3.649 1.00 0.00 C ATOM 330 CG1 ILE A 25 -2.883 -0.055 -2.887 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.692 2.213 -3.943 1.00 0.00 C ATOM 332 CD1 ILE A 25 -3.146 0.365 -1.458 1.00 0.00 C ATOM 0 H ILE A 25 -0.241 -0.993 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.347 -0.002 -5.569 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.103 1.127 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.834 -0.135 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.434 -1.048 -2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.030 2.660 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.012 2.899 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.552 2.017 -4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.801 -0.363 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.203 0.417 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.624 1.344 -1.449 1.00 0.00 H new ATOM 344 N CYS A 26 0.453 1.715 -5.064 1.00 0.00 N ATOM 345 CA CYS A 26 1.367 2.673 -5.675 1.00 0.00 C ATOM 346 C CYS A 26 2.434 1.958 -6.499 1.00 0.00 C ATOM 347 O CYS A 26 3.202 2.592 -7.224 1.00 0.00 O ATOM 348 CB CYS A 26 2.031 3.534 -4.597 1.00 0.00 C ATOM 349 SG CYS A 26 2.712 2.582 -3.201 1.00 0.00 S ATOM 0 H CYS A 26 0.704 1.439 -4.115 1.00 0.00 H new ATOM 0 HA CYS A 26 0.790 3.315 -6.340 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.833 4.114 -5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.300 4.247 -4.215 1.00 0.00 H new ATOM 354 N LEU A 27 2.475 0.635 -6.383 1.00 0.00 N ATOM 355 CA LEU A 27 3.447 -0.167 -7.117 1.00 0.00 C ATOM 356 C LEU A 27 4.872 0.241 -6.758 1.00 0.00 C ATOM 357 O LEU A 27 5.710 0.445 -7.637 1.00 0.00 O ATOM 358 CB LEU A 27 3.226 -0.019 -8.623 1.00 0.00 C ATOM 359 CG LEU A 27 1.829 -0.373 -9.135 1.00 0.00 C ATOM 360 CD1 LEU A 27 1.673 0.040 -10.590 1.00 0.00 C ATOM 361 CD2 LEU A 27 1.561 -1.862 -8.969 1.00 0.00 C ATOM 0 H LEU A 27 1.847 0.095 -5.788 1.00 0.00 H new ATOM 0 HA LEU A 27 3.306 -1.211 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.443 1.012 -8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.951 -0.648 -9.140 1.00 0.00 H new ATOM 0 HG LEU A 27 1.096 0.175 -8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.673 -0.220 -10.937 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.820 1.116 -10.681 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.414 -0.480 -11.197 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.562 -2.095 -9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.299 -2.430 -9.535 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.629 -2.129 -7.914 1.00 0.00 H new ATOM 373 N ASP A 28 5.141 0.355 -5.462 1.00 0.00 N ATOM 374 CA ASP A 28 6.466 0.736 -4.987 1.00 0.00 C ATOM 375 C ASP A 28 6.814 -0.005 -3.699 1.00 0.00 C ATOM 376 O ASP A 28 5.932 -0.510 -3.004 1.00 0.00 O ATOM 377 CB ASP A 28 6.534 2.246 -4.755 1.00 0.00 C ATOM 378 CG ASP A 28 6.719 3.021 -6.045 1.00 0.00 C ATOM 379 OD1 ASP A 28 7.260 2.444 -7.011 1.00 0.00 O ATOM 380 OD2 ASP A 28 6.325 4.206 -6.088 1.00 0.00 O ATOM 0 H ASP A 28 4.459 0.189 -4.722 1.00 0.00 H new ATOM 0 HA ASP A 28 7.192 0.461 -5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.619 2.577 -4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.358 2.470 -4.078 1.00 0.00 H new ATOM 385 N ILE A 29 8.104 -0.066 -3.389 1.00 0.00 N ATOM 386 CA ILE A 29 8.568 -0.745 -2.185 1.00 0.00 C ATOM 387 C ILE A 29 8.108 -0.013 -0.929 1.00 0.00 C ATOM 388 O ILE A 29 8.328 1.190 -0.782 1.00 0.00 O ATOM 389 CB ILE A 29 10.104 -0.864 -2.162 1.00 0.00 C ATOM 390 CG1 ILE A 29 10.595 -1.639 -3.386 1.00 0.00 C ATOM 391 CG2 ILE A 29 10.564 -1.541 -0.880 1.00 0.00 C ATOM 392 CD1 ILE A 29 11.998 -1.266 -3.814 1.00 0.00 C ATOM 0 H ILE A 29 8.846 0.346 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 29 8.134 -1.745 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 29 10.532 0.138 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.562 -2.706 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.911 -1.462 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 29 11.651 -1.618 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.241 -0.952 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.130 -2.539 -0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.281 -1.854 -4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 29 12.032 -0.206 -4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.693 -1.469 -2.999 1.00 0.00 H new ATOM 404 N LEU A 30 7.468 -0.747 -0.025 1.00 0.00 N ATOM 405 CA LEU A 30 6.978 -0.169 1.222 1.00 0.00 C ATOM 406 C LEU A 30 8.032 -0.267 2.320 1.00 0.00 C ATOM 407 O LEU A 30 8.227 -1.328 2.911 1.00 0.00 O ATOM 408 CB LEU A 30 5.696 -0.876 1.665 1.00 0.00 C ATOM 409 CG LEU A 30 5.647 -2.386 1.432 1.00 0.00 C ATOM 410 CD1 LEU A 30 4.734 -3.054 2.449 1.00 0.00 C ATOM 411 CD2 LEU A 30 5.185 -2.693 0.015 1.00 0.00 C ATOM 0 H LEU A 30 7.276 -1.743 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 30 6.762 0.885 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.550 -0.688 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.855 -0.421 1.143 1.00 0.00 H new ATOM 0 HG LEU A 30 6.653 -2.786 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.712 -4.129 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.109 -2.864 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.726 -2.649 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.156 -3.773 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.189 -2.279 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.879 -2.248 -0.698 1.00 0.00 H new ATOM 423 N GLN A 31 8.705 0.847 2.587 1.00 0.00 N ATOM 424 CA GLN A 31 9.738 0.886 3.616 1.00 0.00 C ATOM 425 C GLN A 31 9.316 0.083 4.842 1.00 0.00 C ATOM 426 O GLN A 31 10.014 -0.840 5.264 1.00 0.00 O ATOM 427 CB GLN A 31 10.035 2.332 4.016 1.00 0.00 C ATOM 428 CG GLN A 31 10.524 3.195 2.864 1.00 0.00 C ATOM 429 CD GLN A 31 11.384 4.354 3.327 1.00 0.00 C ATOM 430 OE1 GLN A 31 11.044 5.518 3.115 1.00 0.00 O ATOM 431 NE2 GLN A 31 12.507 4.041 3.962 1.00 0.00 N ATOM 0 H GLN A 31 8.554 1.734 2.106 1.00 0.00 H new ATOM 0 HA GLN A 31 10.642 0.438 3.204 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.132 2.777 4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.787 2.335 4.805 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.095 2.578 2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.665 3.581 2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.750 3.062 4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.127 4.779 4.296 1.00 0.00 H new ATOM 440 N LYS A 32 8.170 0.439 5.410 1.00 0.00 N ATOM 441 CA LYS A 32 7.653 -0.248 6.588 1.00 0.00 C ATOM 442 C LYS A 32 6.405 -1.055 6.243 1.00 0.00 C ATOM 443 O LYS A 32 5.306 -0.516 6.109 1.00 0.00 O ATOM 444 CB LYS A 32 7.332 0.760 7.693 1.00 0.00 C ATOM 445 CG LYS A 32 8.555 1.485 8.229 1.00 0.00 C ATOM 446 CD LYS A 32 8.832 2.761 7.453 1.00 0.00 C ATOM 447 CE LYS A 32 9.647 3.748 8.275 1.00 0.00 C ATOM 448 NZ LYS A 32 10.997 3.212 8.606 1.00 0.00 N ATOM 0 H LYS A 32 7.580 1.200 5.074 1.00 0.00 H new ATOM 0 HA LYS A 32 8.422 -0.934 6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.624 1.494 7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.839 0.241 8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.405 1.724 9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.423 0.828 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.368 2.521 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.889 3.222 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.752 4.681 7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.113 3.982 9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.540 3.933 9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.898 2.363 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.497 2.965 7.728 1.00 0.00 H new ATOM 462 N PRO A 33 6.575 -2.377 6.097 1.00 0.00 N ATOM 463 CA PRO A 33 5.473 -3.285 5.768 1.00 0.00 C ATOM 464 C PRO A 33 4.486 -3.441 6.920 1.00 0.00 C ATOM 465 O PRO A 33 4.743 -4.172 7.877 1.00 0.00 O ATOM 466 CB PRO A 33 6.179 -4.614 5.487 1.00 0.00 C ATOM 467 CG PRO A 33 7.453 -4.536 6.256 1.00 0.00 C ATOM 468 CD PRO A 33 7.857 -3.087 6.242 1.00 0.00 C ATOM 0 HA PRO A 33 4.879 -2.917 4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.573 -5.460 5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.367 -4.745 4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.315 -4.893 7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.222 -5.160 5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.371 -2.804 7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.534 -2.867 5.417 1.00 0.00 H new ATOM 476 N VAL A 34 3.356 -2.748 6.823 1.00 0.00 N ATOM 477 CA VAL A 34 2.329 -2.811 7.857 1.00 0.00 C ATOM 478 C VAL A 34 1.379 -3.978 7.618 1.00 0.00 C ATOM 479 O VAL A 34 0.535 -3.934 6.722 1.00 0.00 O ATOM 480 CB VAL A 34 1.515 -1.505 7.919 1.00 0.00 C ATOM 481 CG1 VAL A 34 0.572 -1.519 9.113 1.00 0.00 C ATOM 482 CG2 VAL A 34 2.443 -0.301 7.977 1.00 0.00 C ATOM 0 H VAL A 34 3.128 -2.136 6.039 1.00 0.00 H new ATOM 0 HA VAL A 34 2.844 -2.955 8.807 1.00 0.00 H new ATOM 0 HB VAL A 34 0.914 -1.429 7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.005 -0.588 9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.116 -2.360 9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.150 -1.619 10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.851 0.613 8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.072 -0.369 8.865 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.072 -0.284 7.087 1.00 0.00 H new ATOM 492 N THR A 35 1.521 -5.025 8.425 1.00 0.00 N ATOM 493 CA THR A 35 0.676 -6.206 8.302 1.00 0.00 C ATOM 494 C THR A 35 -0.724 -5.939 8.844 1.00 0.00 C ATOM 495 O THR A 35 -0.910 -5.759 10.048 1.00 0.00 O ATOM 496 CB THR A 35 1.281 -7.411 9.046 1.00 0.00 C ATOM 497 OG1 THR A 35 2.681 -7.511 8.759 1.00 0.00 O ATOM 498 CG2 THR A 35 0.583 -8.701 8.646 1.00 0.00 C ATOM 0 H THR A 35 2.214 -5.079 9.171 1.00 0.00 H new ATOM 0 HA THR A 35 0.613 -6.440 7.239 1.00 0.00 H new ATOM 0 HB THR A 35 1.139 -7.257 10.116 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.812 -7.591 7.791 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.028 -9.538 9.185 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.477 -8.633 8.893 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.696 -8.859 7.573 1.00 0.00 H new ATOM 506 N ILE A 36 -1.706 -5.916 7.949 1.00 0.00 N ATOM 507 CA ILE A 36 -3.089 -5.674 8.339 1.00 0.00 C ATOM 508 C ILE A 36 -3.785 -6.972 8.733 1.00 0.00 C ATOM 509 O ILE A 36 -3.329 -8.062 8.387 1.00 0.00 O ATOM 510 CB ILE A 36 -3.884 -5.002 7.204 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.297 -5.386 5.844 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.885 -3.491 7.379 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.136 -4.927 4.672 1.00 0.00 C ATOM 0 H ILE A 36 -1.569 -6.062 6.949 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.062 -5.004 9.199 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.915 -5.353 7.246 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.298 -4.959 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.185 -6.469 5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.451 -3.031 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.345 -3.236 8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.860 -3.122 7.360 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.659 -5.234 3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.128 -5.375 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.227 -3.841 4.693 1.00 0.00 H new ATOM 525 N ASP A 37 -4.891 -6.847 9.457 1.00 0.00 N ATOM 526 CA ASP A 37 -5.653 -8.010 9.897 1.00 0.00 C ATOM 527 C ASP A 37 -6.029 -8.893 8.711 1.00 0.00 C ATOM 528 O ASP A 37 -6.371 -10.064 8.879 1.00 0.00 O ATOM 529 CB ASP A 37 -6.915 -7.570 10.640 1.00 0.00 C ATOM 530 CG ASP A 37 -7.868 -8.720 10.895 1.00 0.00 C ATOM 531 OD1 ASP A 37 -7.407 -9.779 11.371 1.00 0.00 O ATOM 532 OD2 ASP A 37 -9.076 -8.562 10.620 1.00 0.00 O ATOM 0 H ASP A 37 -5.280 -5.952 9.752 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.025 -8.589 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.634 -7.117 11.591 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.425 -6.801 10.060 1.00 0.00 H new ATOM 537 N CYS A 38 -5.964 -8.324 7.512 1.00 0.00 N ATOM 538 CA CYS A 38 -6.298 -9.058 6.297 1.00 0.00 C ATOM 539 C CYS A 38 -5.231 -10.102 5.981 1.00 0.00 C ATOM 540 O CYS A 38 -5.504 -11.103 5.320 1.00 0.00 O ATOM 541 CB CYS A 38 -6.449 -8.094 5.119 1.00 0.00 C ATOM 542 SG CYS A 38 -4.901 -7.784 4.209 1.00 0.00 S ATOM 0 H CYS A 38 -5.683 -7.356 7.356 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.245 -9.571 6.461 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.190 -8.495 4.428 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.838 -7.145 5.488 1.00 0.00 H new ATOM 547 N GLY A 39 -4.014 -9.861 6.460 1.00 0.00 N ATOM 548 CA GLY A 39 -2.925 -10.789 6.219 1.00 0.00 C ATOM 549 C GLY A 39 -1.794 -10.161 5.429 1.00 0.00 C ATOM 550 O GLY A 39 -0.628 -10.259 5.814 1.00 0.00 O ATOM 0 H GLY A 39 -3.763 -9.040 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.541 -11.150 7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.304 -11.657 5.679 1.00 0.00 H new ATOM 554 N HIS A 40 -2.136 -9.516 4.318 1.00 0.00 N ATOM 555 CA HIS A 40 -1.140 -8.871 3.470 1.00 0.00 C ATOM 556 C HIS A 40 -0.623 -7.590 4.118 1.00 0.00 C ATOM 557 O HIS A 40 -1.093 -7.187 5.181 1.00 0.00 O ATOM 558 CB HIS A 40 -1.734 -8.558 2.097 1.00 0.00 C ATOM 559 CG HIS A 40 -2.520 -9.690 1.512 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.886 -9.644 1.331 1.00 0.00 N ATOM 561 CD2 HIS A 40 -2.124 -10.905 1.064 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.297 -10.781 0.799 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.246 -11.564 0.626 1.00 0.00 N ATOM 0 H HIS A 40 -3.096 -9.426 3.984 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.303 -9.559 3.347 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.379 -7.683 2.180 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.927 -8.295 1.413 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.113 -11.285 1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.318 -11.029 0.548 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.265 -12.504 0.231 1.00 0.00 H new ATOM 571 N ASN A 41 0.348 -6.955 3.470 1.00 0.00 N ATOM 572 CA ASN A 41 0.931 -5.721 3.984 1.00 0.00 C ATOM 573 C ASN A 41 0.776 -4.586 2.976 1.00 0.00 C ATOM 574 O ASN A 41 0.397 -4.809 1.826 1.00 0.00 O ATOM 575 CB ASN A 41 2.411 -5.928 4.312 1.00 0.00 C ATOM 576 CG ASN A 41 2.660 -7.218 5.070 1.00 0.00 C ATOM 577 OD1 ASN A 41 1.809 -7.676 5.833 1.00 0.00 O ATOM 578 ND2 ASN A 41 3.830 -7.809 4.862 1.00 0.00 N ATOM 0 H ASN A 41 0.748 -7.275 2.588 1.00 0.00 H new ATOM 0 HA ASN A 41 0.399 -5.450 4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.988 -5.936 3.387 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.770 -5.086 4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.054 -8.680 5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.505 -7.393 4.220 1.00 0.00 H new ATOM 585 N PHE A 42 1.071 -3.367 3.416 1.00 0.00 N ATOM 586 CA PHE A 42 0.965 -2.196 2.553 1.00 0.00 C ATOM 587 C PHE A 42 1.860 -1.067 3.056 1.00 0.00 C ATOM 588 O PHE A 42 2.381 -1.121 4.170 1.00 0.00 O ATOM 589 CB PHE A 42 -0.487 -1.718 2.483 1.00 0.00 C ATOM 590 CG PHE A 42 -1.376 -2.617 1.672 1.00 0.00 C ATOM 591 CD1 PHE A 42 -1.898 -3.777 2.223 1.00 0.00 C ATOM 592 CD2 PHE A 42 -1.690 -2.303 0.360 1.00 0.00 C ATOM 593 CE1 PHE A 42 -2.715 -4.606 1.478 1.00 0.00 C ATOM 594 CE2 PHE A 42 -2.507 -3.128 -0.389 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.021 -4.281 0.171 1.00 0.00 C ATOM 0 H PHE A 42 1.385 -3.164 4.365 1.00 0.00 H new ATOM 0 HA PHE A 42 1.296 -2.480 1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.886 -1.643 3.495 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.511 -0.715 2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.664 -4.036 3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.291 -1.402 -0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.114 -5.508 1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.743 -2.871 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.661 -4.927 -0.412 1.00 0.00 H new ATOM 605 N CYS A 43 2.035 -0.045 2.225 1.00 0.00 N ATOM 606 CA CYS A 43 2.867 1.098 2.582 1.00 0.00 C ATOM 607 C CYS A 43 2.062 2.136 3.359 1.00 0.00 C ATOM 608 O CYS A 43 0.928 2.455 2.999 1.00 0.00 O ATOM 609 CB CYS A 43 3.463 1.734 1.325 1.00 0.00 C ATOM 610 SG CYS A 43 2.441 3.061 0.608 1.00 0.00 S ATOM 0 H CYS A 43 1.611 0.015 1.299 1.00 0.00 H new ATOM 0 HA CYS A 43 3.676 0.741 3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.447 2.137 1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.612 0.958 0.574 1.00 0.00 H new ATOM 615 N LEU A 44 2.656 2.660 4.425 1.00 0.00 N ATOM 616 CA LEU A 44 1.995 3.662 5.253 1.00 0.00 C ATOM 617 C LEU A 44 1.396 4.770 4.393 1.00 0.00 C ATOM 618 O LEU A 44 0.262 5.196 4.612 1.00 0.00 O ATOM 619 CB LEU A 44 2.986 4.259 6.255 1.00 0.00 C ATOM 620 CG LEU A 44 3.055 3.573 7.620 1.00 0.00 C ATOM 621 CD1 LEU A 44 1.657 3.293 8.148 1.00 0.00 C ATOM 622 CD2 LEU A 44 3.861 2.286 7.530 1.00 0.00 C ATOM 0 H LEU A 44 3.594 2.408 4.736 1.00 0.00 H new ATOM 0 HA LEU A 44 1.187 3.172 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.980 4.237 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.729 5.307 6.410 1.00 0.00 H new ATOM 0 HG LEU A 44 3.557 4.244 8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.726 2.805 9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.112 4.232 8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.129 2.642 7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.899 1.811 8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.388 1.610 6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.874 2.513 7.197 1.00 0.00 H new ATOM 634 N LYS A 45 2.164 5.232 3.412 1.00 0.00 N ATOM 635 CA LYS A 45 1.709 6.287 2.515 1.00 0.00 C ATOM 636 C LYS A 45 0.357 5.936 1.903 1.00 0.00 C ATOM 637 O LYS A 45 -0.420 6.819 1.539 1.00 0.00 O ATOM 638 CB LYS A 45 2.737 6.521 1.406 1.00 0.00 C ATOM 639 CG LYS A 45 2.165 7.219 0.184 1.00 0.00 C ATOM 640 CD LYS A 45 3.244 7.953 -0.595 1.00 0.00 C ATOM 641 CE LYS A 45 4.010 7.010 -1.510 1.00 0.00 C ATOM 642 NZ LYS A 45 5.265 7.629 -2.020 1.00 0.00 N ATOM 0 H LYS A 45 3.106 4.892 3.218 1.00 0.00 H new ATOM 0 HA LYS A 45 1.598 7.201 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.558 7.117 1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.157 5.562 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.683 6.486 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.395 7.925 0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.790 8.747 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.936 8.429 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.250 6.095 -0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.377 6.726 -2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.758 6.955 -2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.034 8.489 -2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.880 7.877 -1.219 1.00 0.00 H new ATOM 656 N CYS A 46 0.080 4.641 1.794 1.00 0.00 N ATOM 657 CA CYS A 46 -1.179 4.172 1.228 1.00 0.00 C ATOM 658 C CYS A 46 -2.203 3.903 2.327 1.00 0.00 C ATOM 659 O CYS A 46 -3.380 4.240 2.188 1.00 0.00 O ATOM 660 CB CYS A 46 -0.951 2.901 0.407 1.00 0.00 C ATOM 661 SG CYS A 46 -0.612 3.207 -1.357 1.00 0.00 S ATOM 0 H CYS A 46 0.711 3.897 2.091 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.569 4.954 0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.115 2.349 0.836 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.831 2.264 0.492 1.00 0.00 H new ATOM 666 N ILE A 47 -1.747 3.296 3.417 1.00 0.00 N ATOM 667 CA ILE A 47 -2.623 2.984 4.540 1.00 0.00 C ATOM 668 C ILE A 47 -3.102 4.255 5.233 1.00 0.00 C ATOM 669 O ILE A 47 -4.138 4.261 5.899 1.00 0.00 O ATOM 670 CB ILE A 47 -1.918 2.084 5.571 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.470 0.776 4.917 1.00 0.00 C ATOM 672 CG2 ILE A 47 -2.839 1.806 6.750 1.00 0.00 C ATOM 673 CD1 ILE A 47 -0.394 0.049 5.694 1.00 0.00 C ATOM 0 H ILE A 47 -0.776 3.010 3.547 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.481 2.450 4.132 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.034 2.604 5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.333 0.120 4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.101 0.989 3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.326 1.168 7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.112 2.747 7.228 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.740 1.303 6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.125 -0.869 5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.485 0.687 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.766 -0.195 6.689 1.00 0.00 H new ATOM 685 N THR A 48 -2.341 5.334 5.072 1.00 0.00 N ATOM 686 CA THR A 48 -2.687 6.611 5.682 1.00 0.00 C ATOM 687 C THR A 48 -3.809 7.301 4.914 1.00 0.00 C ATOM 688 O THR A 48 -4.691 7.919 5.510 1.00 0.00 O ATOM 689 CB THR A 48 -1.469 7.552 5.743 1.00 0.00 C ATOM 690 OG1 THR A 48 -1.794 8.726 6.497 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.021 7.949 4.345 1.00 0.00 C ATOM 0 H THR A 48 -1.481 5.348 4.524 1.00 0.00 H new ATOM 0 HA THR A 48 -3.023 6.396 6.696 1.00 0.00 H new ATOM 0 HB THR A 48 -0.652 7.021 6.232 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.014 9.318 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.160 8.614 4.414 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.746 7.056 3.784 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.835 8.463 3.834 1.00 0.00 H new ATOM 699 N GLN A 49 -3.770 7.189 3.590 1.00 0.00 N ATOM 700 CA GLN A 49 -4.785 7.803 2.742 1.00 0.00 C ATOM 701 C GLN A 49 -6.017 6.911 2.636 1.00 0.00 C ATOM 702 O GLN A 49 -7.139 7.400 2.499 1.00 0.00 O ATOM 703 CB GLN A 49 -4.217 8.077 1.348 1.00 0.00 C ATOM 704 CG GLN A 49 -4.096 6.832 0.485 1.00 0.00 C ATOM 705 CD GLN A 49 -3.429 7.108 -0.848 1.00 0.00 C ATOM 706 OE1 GLN A 49 -2.383 7.755 -0.910 1.00 0.00 O ATOM 707 NE2 GLN A 49 -4.033 6.619 -1.925 1.00 0.00 N ATOM 0 H GLN A 49 -3.047 6.679 3.082 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.081 8.748 3.198 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.855 8.800 0.840 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.233 8.536 1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.524 6.076 1.023 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.089 6.417 0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.899 6.088 -1.828 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.631 6.774 -2.850 1.00 0.00 H new ATOM 716 N ILE A 50 -5.801 5.601 2.699 1.00 0.00 N ATOM 717 CA ILE A 50 -6.894 4.642 2.610 1.00 0.00 C ATOM 718 C ILE A 50 -7.628 4.520 3.941 1.00 0.00 C ATOM 719 O ILE A 50 -8.854 4.420 3.979 1.00 0.00 O ATOM 720 CB ILE A 50 -6.389 3.250 2.186 1.00 0.00 C ATOM 721 CG1 ILE A 50 -5.698 3.328 0.823 1.00 0.00 C ATOM 722 CG2 ILE A 50 -7.542 2.258 2.146 1.00 0.00 C ATOM 723 CD1 ILE A 50 -4.802 2.144 0.532 1.00 0.00 C ATOM 0 H ILE A 50 -4.879 5.180 2.811 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.581 5.017 1.851 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.663 2.903 2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.457 3.400 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.106 4.242 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.169 1.279 1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.994 2.186 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.290 2.598 1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.345 2.266 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.021 2.083 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.393 1.228 0.546 1.00 0.00 H new ATOM 735 N GLY A 51 -6.869 4.531 5.033 1.00 0.00 N ATOM 736 CA GLY A 51 -7.465 4.423 6.352 1.00 0.00 C ATOM 737 C GLY A 51 -8.212 5.678 6.755 1.00 0.00 C ATOM 738 O GLY A 51 -9.272 5.604 7.375 1.00 0.00 O ATOM 0 H GLY A 51 -5.852 4.613 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.150 3.575 6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.684 4.218 7.084 1.00 0.00 H new ATOM 742 N GLU A 52 -7.657 6.834 6.404 1.00 0.00 N ATOM 743 CA GLU A 52 -8.278 8.111 6.736 1.00 0.00 C ATOM 744 C GLU A 52 -9.790 8.049 6.537 1.00 0.00 C ATOM 745 O GLU A 52 -10.553 8.647 7.296 1.00 0.00 O ATOM 746 CB GLU A 52 -7.685 9.230 5.878 1.00 0.00 C ATOM 747 CG GLU A 52 -8.230 9.264 4.460 1.00 0.00 C ATOM 748 CD GLU A 52 -9.473 10.123 4.333 1.00 0.00 C ATOM 749 OE1 GLU A 52 -9.640 11.049 5.154 1.00 0.00 O ATOM 750 OE2 GLU A 52 -10.279 9.869 3.413 1.00 0.00 O ATOM 0 H GLU A 52 -6.779 6.912 5.890 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.076 8.322 7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.884 10.188 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.602 9.112 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.460 9.644 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.461 8.248 4.139 1.00 0.00 H new ATOM 757 N THR A 53 -10.216 7.321 5.509 1.00 0.00 N ATOM 758 CA THR A 53 -11.635 7.182 5.208 1.00 0.00 C ATOM 759 C THR A 53 -12.401 6.639 6.409 1.00 0.00 C ATOM 760 O THR A 53 -12.086 5.567 6.926 1.00 0.00 O ATOM 761 CB THR A 53 -11.865 6.250 4.003 1.00 0.00 C ATOM 762 OG1 THR A 53 -11.376 4.937 4.299 1.00 0.00 O ATOM 763 CG2 THR A 53 -11.168 6.788 2.763 1.00 0.00 C ATOM 0 H THR A 53 -9.598 6.819 4.871 1.00 0.00 H new ATOM 0 HA THR A 53 -12.005 8.178 4.964 1.00 0.00 H new ATOM 0 HB THR A 53 -12.936 6.203 3.807 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.412 4.978 4.472 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.344 6.114 1.925 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.563 7.775 2.523 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.097 6.861 2.951 1.00 0.00 H new ATOM 771 N SER A 54 -13.410 7.384 6.848 1.00 0.00 N ATOM 772 CA SER A 54 -14.220 6.979 7.991 1.00 0.00 C ATOM 773 C SER A 54 -15.428 6.163 7.539 1.00 0.00 C ATOM 774 O SER A 54 -15.775 5.155 8.154 1.00 0.00 O ATOM 775 CB SER A 54 -14.684 8.207 8.776 1.00 0.00 C ATOM 776 OG SER A 54 -15.489 7.832 9.880 1.00 0.00 O ATOM 0 H SER A 54 -13.686 8.272 6.429 1.00 0.00 H new ATOM 0 HA SER A 54 -13.604 6.355 8.639 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.817 8.767 9.127 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.247 8.871 8.120 1.00 0.00 H new ATOM 0 HG SER A 54 -15.772 8.634 10.366 1.00 0.00 H new ATOM 782 N CYS A 55 -16.063 6.608 6.461 1.00 0.00 N ATOM 783 CA CYS A 55 -17.233 5.921 5.925 1.00 0.00 C ATOM 784 C CYS A 55 -17.113 4.413 6.116 1.00 0.00 C ATOM 785 O CYS A 55 -18.053 3.755 6.559 1.00 0.00 O ATOM 786 CB CYS A 55 -17.407 6.248 4.441 1.00 0.00 C ATOM 787 SG CYS A 55 -17.915 7.952 4.115 1.00 0.00 S ATOM 0 H CYS A 55 -15.788 7.441 5.941 1.00 0.00 H new ATOM 0 HA CYS A 55 -18.110 6.269 6.471 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -16.466 6.056 3.925 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -18.148 5.572 4.015 1.00 0.00 H new ATOM 0 HG CYS A 55 -18.033 8.132 2.833 1.00 0.00 H new ATOM 793 N GLY A 56 -15.947 3.870 5.776 1.00 0.00 N ATOM 794 CA GLY A 56 -15.726 2.442 5.915 1.00 0.00 C ATOM 795 C GLY A 56 -14.373 2.122 6.520 1.00 0.00 C ATOM 796 O GLY A 56 -13.885 2.848 7.387 1.00 0.00 O ATOM 0 H GLY A 56 -15.153 4.393 5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.510 2.015 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.805 1.968 4.937 1.00 0.00 H new ATOM 800 N PHE A 57 -13.767 1.031 6.065 1.00 0.00 N ATOM 801 CA PHE A 57 -12.463 0.614 6.569 1.00 0.00 C ATOM 802 C PHE A 57 -11.471 0.428 5.425 1.00 0.00 C ATOM 803 O PHE A 57 -11.837 0.511 4.252 1.00 0.00 O ATOM 804 CB PHE A 57 -12.593 -0.688 7.363 1.00 0.00 C ATOM 805 CG PHE A 57 -13.192 -0.501 8.728 1.00 0.00 C ATOM 806 CD1 PHE A 57 -12.406 -0.097 9.795 1.00 0.00 C ATOM 807 CD2 PHE A 57 -14.542 -0.729 8.943 1.00 0.00 C ATOM 808 CE1 PHE A 57 -12.955 0.076 11.052 1.00 0.00 C ATOM 809 CE2 PHE A 57 -15.096 -0.557 10.197 1.00 0.00 C ATOM 810 CZ PHE A 57 -14.301 -0.155 11.253 1.00 0.00 C ATOM 0 H PHE A 57 -14.157 0.419 5.348 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.088 1.398 7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -13.208 -1.389 6.798 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.607 -1.141 7.467 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.352 0.085 9.643 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.168 -1.045 8.121 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -12.332 0.391 11.876 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.150 -0.737 10.352 1.00 0.00 H new ATOM 0 HZ PHE A 57 -14.732 -0.022 12.234 1.00 0.00 H new ATOM 820 N PHE A 58 -10.214 0.178 5.775 1.00 0.00 N ATOM 821 CA PHE A 58 -9.168 -0.018 4.778 1.00 0.00 C ATOM 822 C PHE A 58 -9.517 -1.171 3.842 1.00 0.00 C ATOM 823 O PHE A 58 -9.653 -2.316 4.272 1.00 0.00 O ATOM 824 CB PHE A 58 -7.826 -0.290 5.462 1.00 0.00 C ATOM 825 CG PHE A 58 -6.718 -0.614 4.501 1.00 0.00 C ATOM 826 CD1 PHE A 58 -6.660 -1.852 3.882 1.00 0.00 C ATOM 827 CD2 PHE A 58 -5.735 0.320 4.218 1.00 0.00 C ATOM 828 CE1 PHE A 58 -5.641 -2.153 2.998 1.00 0.00 C ATOM 829 CE2 PHE A 58 -4.714 0.025 3.334 1.00 0.00 C ATOM 830 CZ PHE A 58 -4.667 -1.214 2.724 1.00 0.00 C ATOM 0 H PHE A 58 -9.895 0.106 6.741 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.089 0.895 4.187 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.543 0.584 6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.944 -1.119 6.160 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.420 -2.590 4.093 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.767 1.289 4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.607 -3.122 2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.954 0.762 3.120 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.870 -1.447 2.034 1.00 0.00 H new ATOM 840 N LYS A 59 -9.663 -0.859 2.558 1.00 0.00 N ATOM 841 CA LYS A 59 -9.996 -1.868 1.559 1.00 0.00 C ATOM 842 C LYS A 59 -8.733 -2.457 0.939 1.00 0.00 C ATOM 843 O LYS A 59 -7.835 -1.726 0.520 1.00 0.00 O ATOM 844 CB LYS A 59 -10.878 -1.260 0.466 1.00 0.00 C ATOM 845 CG LYS A 59 -11.272 -2.249 -0.617 1.00 0.00 C ATOM 846 CD LYS A 59 -12.519 -3.028 -0.234 1.00 0.00 C ATOM 847 CE LYS A 59 -13.056 -3.833 -1.407 1.00 0.00 C ATOM 848 NZ LYS A 59 -12.466 -5.199 -1.460 1.00 0.00 N ATOM 0 H LYS A 59 -9.556 0.084 2.185 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.543 -2.669 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.781 -0.855 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.350 -0.424 0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.448 -1.716 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.450 -2.942 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.290 -3.699 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.287 -2.338 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.141 -3.909 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.839 -3.308 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.858 -5.715 -2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.433 -5.127 -1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.694 -5.710 -0.583 1.00 0.00 H new ATOM 862 N CYS A 60 -8.671 -3.783 0.881 1.00 0.00 N ATOM 863 CA CYS A 60 -7.519 -4.471 0.311 1.00 0.00 C ATOM 864 C CYS A 60 -7.844 -5.018 -1.076 1.00 0.00 C ATOM 865 O CYS A 60 -8.777 -5.800 -1.260 1.00 0.00 O ATOM 866 CB CYS A 60 -7.074 -5.611 1.229 1.00 0.00 C ATOM 867 SG CYS A 60 -5.598 -6.504 0.644 1.00 0.00 S ATOM 0 H CYS A 60 -9.406 -4.403 1.222 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.707 -3.750 0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.871 -5.207 2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.896 -6.319 1.335 1.00 0.00 H new ATOM 872 N PRO A 61 -7.056 -4.598 -2.077 1.00 0.00 N ATOM 873 CA PRO A 61 -7.239 -5.033 -3.464 1.00 0.00 C ATOM 874 C PRO A 61 -6.876 -6.500 -3.665 1.00 0.00 C ATOM 875 O PRO A 61 -7.475 -7.192 -4.490 1.00 0.00 O ATOM 876 CB PRO A 61 -6.280 -4.133 -4.248 1.00 0.00 C ATOM 877 CG PRO A 61 -5.231 -3.748 -3.262 1.00 0.00 C ATOM 878 CD PRO A 61 -5.925 -3.666 -1.930 1.00 0.00 C ATOM 0 HA PRO A 61 -8.278 -4.952 -3.782 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.849 -4.660 -5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.793 -3.256 -4.643 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.428 -4.485 -3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.779 -2.792 -3.526 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.265 -3.961 -1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.264 -2.653 -1.715 1.00 0.00 H new ATOM 886 N LEU A 62 -5.893 -6.971 -2.905 1.00 0.00 N ATOM 887 CA LEU A 62 -5.451 -8.358 -2.999 1.00 0.00 C ATOM 888 C LEU A 62 -6.511 -9.306 -2.448 1.00 0.00 C ATOM 889 O LEU A 62 -6.797 -10.347 -3.041 1.00 0.00 O ATOM 890 CB LEU A 62 -4.137 -8.547 -2.238 1.00 0.00 C ATOM 891 CG LEU A 62 -3.019 -7.560 -2.575 1.00 0.00 C ATOM 892 CD1 LEU A 62 -1.830 -7.764 -1.647 1.00 0.00 C ATOM 893 CD2 LEU A 62 -2.595 -7.709 -4.028 1.00 0.00 C ATOM 0 H LEU A 62 -5.387 -6.413 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.292 -8.593 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.345 -8.478 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.773 -9.557 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.398 -6.548 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.044 -7.053 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.143 -7.606 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.451 -8.780 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.799 -6.998 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.234 -8.723 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.448 -7.512 -4.678 1.00 0.00 H new ATOM 905 N CYS A 63 -7.094 -8.938 -1.312 1.00 0.00 N ATOM 906 CA CYS A 63 -8.125 -9.754 -0.682 1.00 0.00 C ATOM 907 C CYS A 63 -9.370 -9.832 -1.561 1.00 0.00 C ATOM 908 O CYS A 63 -9.746 -8.857 -2.211 1.00 0.00 O ATOM 909 CB CYS A 63 -8.490 -9.182 0.689 1.00 0.00 C ATOM 910 SG CYS A 63 -7.320 -9.622 2.014 1.00 0.00 S ATOM 0 H CYS A 63 -6.870 -8.080 -0.809 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.729 -10.761 -0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.546 -8.096 0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.484 -9.534 0.965 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 1.455 2.249 -1.366 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.332 -8.379 1.978 1.00 0.00 ZN