USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 520 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 41 HIS HD1 : A 41 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0175 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc=-0.00262 F(o=-1.1,f=-0.0026) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0538 K(o=-0.054,f=-1.3!) USER MOD Single : A 25 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-2.9) USER MOD Single : A 26 ASN : amide:sc= -3.23! C(o=-3.2!,f=-8.4!) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 30 MET CE :methyl 156:sc= 0 (180deg=-0.0698) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.357 K(o=-0.36,f=-1.6!) USER MOD Single : A 62 TYR OH : rot 149:sc= -3.21! USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 68:sc= 0.56 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.833 29.426 24.110 1.00 0.00 N ATOM 2 CA GLY A 1 -8.719 28.684 24.988 1.00 0.00 C ATOM 3 C GLY A 1 -8.222 28.650 26.420 1.00 0.00 C ATOM 4 O GLY A 1 -7.016 28.595 26.664 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.717 28.908 23.215 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.240 30.363 23.917 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.906 29.539 24.567 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.712 29.134 24.962 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.821 27.664 24.618 1.00 0.00 H new ATOM 8 N SER A 2 -9.152 28.686 27.368 1.00 0.00 N ATOM 9 CA SER A 2 -8.801 28.665 28.784 1.00 0.00 C ATOM 10 C SER A 2 -8.573 27.235 29.266 1.00 0.00 C ATOM 11 O SER A 2 -9.009 26.858 30.353 1.00 0.00 O ATOM 12 CB SER A 2 -9.904 29.325 29.614 1.00 0.00 C ATOM 13 OG SER A 2 -9.748 30.733 29.640 1.00 0.00 O ATOM 0 H SER A 2 -10.154 28.730 27.182 1.00 0.00 H new ATOM 0 HA SER A 2 -7.875 29.225 28.912 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.879 29.071 29.197 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.881 28.934 30.631 1.00 0.00 H new ATOM 0 HG SER A 2 -10.466 31.132 30.175 1.00 0.00 H new ATOM 19 N SER A 3 -7.887 26.444 28.447 1.00 0.00 N ATOM 20 CA SER A 3 -7.604 25.054 28.787 1.00 0.00 C ATOM 21 C SER A 3 -6.218 24.919 29.411 1.00 0.00 C ATOM 22 O SER A 3 -5.209 25.237 28.783 1.00 0.00 O ATOM 23 CB SER A 3 -7.703 24.172 27.541 1.00 0.00 C ATOM 24 OG SER A 3 -8.982 24.278 26.941 1.00 0.00 O ATOM 0 H SER A 3 -7.517 26.741 27.544 1.00 0.00 H new ATOM 0 HA SER A 3 -8.345 24.726 29.516 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.936 24.464 26.823 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.509 23.134 27.810 1.00 0.00 H new ATOM 0 HG SER A 3 -9.019 23.706 26.146 1.00 0.00 H new ATOM 30 N GLY A 4 -6.179 24.445 30.653 1.00 0.00 N ATOM 31 CA GLY A 4 -4.913 24.276 31.342 1.00 0.00 C ATOM 32 C GLY A 4 -4.190 23.011 30.925 1.00 0.00 C ATOM 33 O GLY A 4 -2.969 23.010 30.766 1.00 0.00 O ATOM 0 H GLY A 4 -7.001 24.175 31.194 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.276 25.138 31.142 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.089 24.253 32.418 1.00 0.00 H new ATOM 37 N SER A 5 -4.944 21.931 30.747 1.00 0.00 N ATOM 38 CA SER A 5 -4.366 20.652 30.351 1.00 0.00 C ATOM 39 C SER A 5 -3.490 20.813 29.112 1.00 0.00 C ATOM 40 O SER A 5 -3.923 21.362 28.099 1.00 0.00 O ATOM 41 CB SER A 5 -5.473 19.631 30.079 1.00 0.00 C ATOM 42 OG SER A 5 -5.852 18.962 31.268 1.00 0.00 O ATOM 0 H SER A 5 -5.956 21.916 30.871 1.00 0.00 H new ATOM 0 HA SER A 5 -3.744 20.292 31.170 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.339 20.135 29.649 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.129 18.904 29.343 1.00 0.00 H new ATOM 0 HG SER A 5 -6.562 18.316 31.068 1.00 0.00 H new ATOM 48 N SER A 6 -2.256 20.328 29.201 1.00 0.00 N ATOM 49 CA SER A 6 -1.316 20.420 28.089 1.00 0.00 C ATOM 50 C SER A 6 -1.519 19.268 27.110 1.00 0.00 C ATOM 51 O SER A 6 -2.136 18.257 27.442 1.00 0.00 O ATOM 52 CB SER A 6 0.123 20.416 28.608 1.00 0.00 C ATOM 53 OG SER A 6 0.471 21.675 29.157 1.00 0.00 O ATOM 0 H SER A 6 -1.883 19.867 30.031 1.00 0.00 H new ATOM 0 HA SER A 6 -1.502 21.357 27.564 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.237 19.641 29.366 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.805 20.169 27.795 1.00 0.00 H new ATOM 0 HG SER A 6 1.395 21.646 29.483 1.00 0.00 H new ATOM 59 N GLY A 7 -0.994 19.430 25.899 1.00 0.00 N ATOM 60 CA GLY A 7 -1.128 18.397 24.888 1.00 0.00 C ATOM 61 C GLY A 7 0.144 18.201 24.088 1.00 0.00 C ATOM 62 O GLY A 7 0.848 19.163 23.785 1.00 0.00 O ATOM 0 H GLY A 7 -0.478 20.258 25.600 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.401 17.457 25.367 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.942 18.658 24.212 1.00 0.00 H new ATOM 66 N GLU A 8 0.440 16.951 23.746 1.00 0.00 N ATOM 67 CA GLU A 8 1.638 16.632 22.978 1.00 0.00 C ATOM 68 C GLU A 8 1.653 17.391 21.654 1.00 0.00 C ATOM 69 O GLU A 8 0.634 17.937 21.228 1.00 0.00 O ATOM 70 CB GLU A 8 1.718 15.127 22.717 1.00 0.00 C ATOM 71 CG GLU A 8 1.713 14.288 23.984 1.00 0.00 C ATOM 72 CD GLU A 8 2.832 14.662 24.936 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.005 14.380 24.614 1.00 0.00 O ATOM 74 OE2 GLU A 8 2.535 15.238 26.004 1.00 0.00 O ATOM 0 H GLU A 8 -0.133 16.143 23.989 1.00 0.00 H new ATOM 0 HA GLU A 8 2.506 16.938 23.562 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.876 14.830 22.091 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.626 14.912 22.153 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.755 14.407 24.490 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.804 13.235 23.718 1.00 0.00 H new ATOM 81 N CYS A 9 2.813 17.419 21.009 1.00 0.00 N ATOM 82 CA CYS A 9 2.962 18.111 19.733 1.00 0.00 C ATOM 83 C CYS A 9 1.795 17.795 18.804 1.00 0.00 C ATOM 84 O CYS A 9 1.775 16.752 18.151 1.00 0.00 O ATOM 85 CB CYS A 9 4.282 17.719 19.068 1.00 0.00 C ATOM 86 SG CYS A 9 4.570 18.519 17.472 1.00 0.00 S ATOM 0 H CYS A 9 3.664 16.971 21.348 1.00 0.00 H new ATOM 0 HA CYS A 9 2.967 19.184 19.927 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.103 17.967 19.740 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.300 16.638 18.929 1.00 0.00 H new ATOM 0 HG CYS A 9 5.711 18.126 16.989 1.00 0.00 H new ATOM 92 N GLU A 10 0.825 18.702 18.750 1.00 0.00 N ATOM 93 CA GLU A 10 -0.346 18.517 17.901 1.00 0.00 C ATOM 94 C GLU A 10 0.063 18.108 16.489 1.00 0.00 C ATOM 95 O GLU A 10 1.099 18.540 15.982 1.00 0.00 O ATOM 96 CB GLU A 10 -1.175 19.803 17.852 1.00 0.00 C ATOM 97 CG GLU A 10 -0.464 20.959 17.170 1.00 0.00 C ATOM 98 CD GLU A 10 0.590 21.598 18.053 1.00 0.00 C ATOM 99 OE1 GLU A 10 0.243 22.042 19.167 1.00 0.00 O ATOM 100 OE2 GLU A 10 1.764 21.653 17.629 1.00 0.00 O ATOM 0 H GLU A 10 0.827 19.571 19.283 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.951 17.718 18.330 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.110 19.603 17.329 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.435 20.097 18.869 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.004 20.602 16.252 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.197 21.713 16.882 1.00 0.00 H new ATOM 107 N VAL A 11 -0.756 17.272 15.860 1.00 0.00 N ATOM 108 CA VAL A 11 -0.481 16.804 14.507 1.00 0.00 C ATOM 109 C VAL A 11 -1.659 17.079 13.580 1.00 0.00 C ATOM 110 O VAL A 11 -1.495 17.187 12.365 1.00 0.00 O ATOM 111 CB VAL A 11 -0.167 15.297 14.488 1.00 0.00 C ATOM 112 CG1 VAL A 11 -1.404 14.489 14.848 1.00 0.00 C ATOM 113 CG2 VAL A 11 0.372 14.883 13.127 1.00 0.00 C ATOM 0 H VAL A 11 -1.616 16.904 16.266 1.00 0.00 H new ATOM 0 HA VAL A 11 0.391 17.354 14.153 1.00 0.00 H new ATOM 0 HB VAL A 11 0.600 15.094 15.235 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.163 13.426 14.829 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.742 14.767 15.846 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.195 14.694 14.127 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.589 13.815 13.131 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.372 15.099 12.360 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.286 15.438 12.913 1.00 0.00 H new ATOM 123 N TYR A 12 -2.848 17.192 14.162 1.00 0.00 N ATOM 124 CA TYR A 12 -4.056 17.452 13.387 1.00 0.00 C ATOM 125 C TYR A 12 -4.246 18.949 13.161 1.00 0.00 C ATOM 126 O TYR A 12 -4.196 19.741 14.102 1.00 0.00 O ATOM 127 CB TYR A 12 -5.279 16.873 14.101 1.00 0.00 C ATOM 128 CG TYR A 12 -5.397 17.303 15.545 1.00 0.00 C ATOM 129 CD1 TYR A 12 -5.853 18.573 15.878 1.00 0.00 C ATOM 130 CD2 TYR A 12 -5.054 16.439 16.578 1.00 0.00 C ATOM 131 CE1 TYR A 12 -5.962 18.970 17.197 1.00 0.00 C ATOM 132 CE2 TYR A 12 -5.161 16.827 17.900 1.00 0.00 C ATOM 133 CZ TYR A 12 -5.615 18.093 18.204 1.00 0.00 C ATOM 134 OH TYR A 12 -5.723 18.485 19.518 1.00 0.00 O ATOM 0 H TYR A 12 -3.001 17.108 15.167 1.00 0.00 H new ATOM 0 HA TYR A 12 -3.947 16.967 12.417 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.179 17.176 13.566 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.233 15.785 14.057 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.127 19.261 15.092 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.698 15.447 16.343 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.317 19.961 17.438 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.891 16.143 18.690 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.441 17.751 20.103 1.00 0.00 H new ATOM 144 N ASP A 13 -4.466 19.328 11.907 1.00 0.00 N ATOM 145 CA ASP A 13 -4.666 20.729 11.556 1.00 0.00 C ATOM 146 C ASP A 13 -6.036 20.939 10.920 1.00 0.00 C ATOM 147 O ASP A 13 -6.366 20.354 9.889 1.00 0.00 O ATOM 148 CB ASP A 13 -3.568 21.199 10.599 1.00 0.00 C ATOM 149 CG ASP A 13 -2.177 20.926 11.136 1.00 0.00 C ATOM 150 OD1 ASP A 13 -1.924 21.242 12.318 1.00 0.00 O ATOM 151 OD2 ASP A 13 -1.341 20.397 10.375 1.00 0.00 O ATOM 0 H ASP A 13 -4.510 18.685 11.117 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.616 21.318 12.472 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.688 20.698 9.638 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.681 22.268 10.418 1.00 0.00 H new ATOM 156 N PRO A 14 -6.856 21.795 11.549 1.00 0.00 N ATOM 157 CA PRO A 14 -8.204 22.102 11.063 1.00 0.00 C ATOM 158 C PRO A 14 -8.184 22.916 9.774 1.00 0.00 C ATOM 159 O PRO A 14 -9.232 23.290 9.249 1.00 0.00 O ATOM 160 CB PRO A 14 -8.814 22.921 12.204 1.00 0.00 C ATOM 161 CG PRO A 14 -7.646 23.528 12.901 1.00 0.00 C ATOM 162 CD PRO A 14 -6.529 22.529 12.784 1.00 0.00 C ATOM 0 HA PRO A 14 -8.765 21.200 10.820 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.490 23.687 11.824 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.393 22.290 12.878 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.369 24.478 12.444 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.878 23.733 13.946 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.558 23.019 12.715 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.491 21.865 13.648 1.00 0.00 H new ATOM 170 N ASN A 15 -6.985 23.187 9.269 1.00 0.00 N ATOM 171 CA ASN A 15 -6.829 23.958 8.041 1.00 0.00 C ATOM 172 C ASN A 15 -6.343 23.070 6.900 1.00 0.00 C ATOM 173 O ASN A 15 -6.703 23.277 5.741 1.00 0.00 O ATOM 174 CB ASN A 15 -5.848 25.111 8.259 1.00 0.00 C ATOM 175 CG ASN A 15 -6.462 26.252 9.046 1.00 0.00 C ATOM 176 OD1 ASN A 15 -6.936 25.953 10.249 1.00 0.00 O flip ATOM 177 ND2 ASN A 15 -6.510 27.389 8.577 1.00 0.00 N flip ATOM 0 H ASN A 15 -6.107 22.884 9.691 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.803 24.366 7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.969 24.741 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.507 25.482 7.292 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.133 27.574 7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.927 28.147 9.118 1.00 0.00 H new ATOM 184 N ALA A 16 -5.522 22.080 7.236 1.00 0.00 N ATOM 185 CA ALA A 16 -4.988 21.158 6.241 1.00 0.00 C ATOM 186 C ALA A 16 -5.697 19.809 6.305 1.00 0.00 C ATOM 187 O ALA A 16 -5.441 19.005 7.203 1.00 0.00 O ATOM 188 CB ALA A 16 -3.490 20.980 6.437 1.00 0.00 C ATOM 0 H ALA A 16 -5.212 21.896 8.190 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.166 21.585 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.105 20.289 5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.992 21.944 6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.298 20.579 7.432 1.00 0.00 H new ATOM 194 N LEU A 17 -6.587 19.568 5.350 1.00 0.00 N ATOM 195 CA LEU A 17 -7.333 18.315 5.299 1.00 0.00 C ATOM 196 C LEU A 17 -7.360 17.755 3.880 1.00 0.00 C ATOM 197 O LEU A 17 -7.350 18.506 2.905 1.00 0.00 O ATOM 198 CB LEU A 17 -8.762 18.529 5.801 1.00 0.00 C ATOM 199 CG LEU A 17 -8.898 19.128 7.202 1.00 0.00 C ATOM 200 CD1 LEU A 17 -10.305 19.663 7.419 1.00 0.00 C ATOM 201 CD2 LEU A 17 -8.550 18.092 8.261 1.00 0.00 C ATOM 0 H LEU A 17 -6.810 20.223 4.600 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.831 17.595 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.279 19.181 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.279 17.569 5.786 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.198 19.959 7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.383 20.085 8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.518 20.437 6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.024 18.851 7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.652 18.536 9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.225 17.241 8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.523 17.756 8.118 1.00 0.00 H new ATOM 213 N TYR A 18 -7.396 16.431 3.773 1.00 0.00 N ATOM 214 CA TYR A 18 -7.425 15.770 2.474 1.00 0.00 C ATOM 215 C TYR A 18 -8.548 14.739 2.412 1.00 0.00 C ATOM 216 O TYR A 18 -9.576 14.962 1.773 1.00 0.00 O ATOM 217 CB TYR A 18 -6.081 15.095 2.193 1.00 0.00 C ATOM 218 CG TYR A 18 -4.940 16.070 2.008 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.960 17.006 0.982 1.00 0.00 C ATOM 220 CD2 TYR A 18 -3.843 16.055 2.861 1.00 0.00 C ATOM 221 CE1 TYR A 18 -3.919 17.898 0.809 1.00 0.00 C ATOM 222 CE2 TYR A 18 -2.799 16.944 2.696 1.00 0.00 C ATOM 223 CZ TYR A 18 -2.841 17.863 1.669 1.00 0.00 C ATOM 224 OH TYR A 18 -1.803 18.751 1.501 1.00 0.00 O ATOM 0 H TYR A 18 -7.406 15.795 4.570 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.610 16.528 1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.843 14.422 3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.172 14.482 1.297 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.803 17.037 0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.806 15.336 3.666 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.949 18.619 0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.954 16.919 3.368 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.124 18.595 2.190 1.00 0.00 H new ATOM 234 N CYS A 19 -8.343 13.610 3.081 1.00 0.00 N ATOM 235 CA CYS A 19 -9.336 12.543 3.103 1.00 0.00 C ATOM 236 C CYS A 19 -10.687 13.067 3.581 1.00 0.00 C ATOM 237 O CYS A 19 -10.771 14.142 4.177 1.00 0.00 O ATOM 238 CB CYS A 19 -8.869 11.402 4.010 1.00 0.00 C ATOM 239 SG CYS A 19 -10.038 10.009 4.114 1.00 0.00 S ATOM 0 H CYS A 19 -7.498 13.410 3.616 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.451 12.167 2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.911 11.032 3.646 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.699 11.795 5.012 1.00 0.00 H new ATOM 244 N ILE A 20 -11.740 12.301 3.316 1.00 0.00 N ATOM 245 CA ILE A 20 -13.086 12.688 3.720 1.00 0.00 C ATOM 246 C ILE A 20 -13.227 12.682 5.239 1.00 0.00 C ATOM 247 O ILE A 20 -14.024 13.432 5.802 1.00 0.00 O ATOM 248 CB ILE A 20 -14.147 11.750 3.114 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.855 10.298 3.499 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.188 11.905 1.601 1.00 0.00 C ATOM 251 CD1 ILE A 20 -15.006 9.357 3.220 1.00 0.00 C ATOM 0 H ILE A 20 -11.687 11.409 2.824 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.250 13.699 3.346 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.124 12.023 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.976 9.956 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.609 10.254 4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.942 11.236 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.438 12.935 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.213 11.655 1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.729 8.345 3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.881 9.675 3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -15.238 9.372 2.155 1.00 0.00 H new ATOM 263 N CYS A 21 -12.446 11.832 5.897 1.00 0.00 N ATOM 264 CA CYS A 21 -12.482 11.728 7.351 1.00 0.00 C ATOM 265 C CYS A 21 -11.878 12.970 7.999 1.00 0.00 C ATOM 266 O CYS A 21 -11.815 13.075 9.224 1.00 0.00 O ATOM 267 CB CYS A 21 -11.728 10.480 7.813 1.00 0.00 C ATOM 268 SG CYS A 21 -9.951 10.494 7.412 1.00 0.00 S ATOM 0 H CYS A 21 -11.780 11.205 5.446 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.524 11.649 7.659 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.845 10.376 8.892 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.186 9.602 7.357 1.00 0.00 H new ATOM 273 N ARG A 22 -11.435 13.909 7.169 1.00 0.00 N ATOM 274 CA ARG A 22 -10.835 15.143 7.661 1.00 0.00 C ATOM 275 C ARG A 22 -9.635 14.845 8.557 1.00 0.00 C ATOM 276 O ARG A 22 -9.575 15.298 9.699 1.00 0.00 O ATOM 277 CB ARG A 22 -11.868 15.966 8.432 1.00 0.00 C ATOM 278 CG ARG A 22 -13.153 16.211 7.657 1.00 0.00 C ATOM 279 CD ARG A 22 -12.876 16.873 6.316 1.00 0.00 C ATOM 280 NE ARG A 22 -13.991 17.707 5.877 1.00 0.00 N ATOM 281 CZ ARG A 22 -13.945 18.491 4.806 1.00 0.00 C ATOM 282 NH1 ARG A 22 -12.845 18.547 4.068 1.00 0.00 N ATOM 283 NH2 ARG A 22 -15.002 19.221 4.471 1.00 0.00 N ATOM 0 H ARG A 22 -11.480 13.838 6.152 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.491 15.718 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.108 15.453 9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.428 16.926 8.702 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.669 15.264 7.497 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.819 16.842 8.245 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.975 17.482 6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.680 16.106 5.567 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.852 17.686 6.423 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.031 17.987 4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.813 19.150 3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.850 19.180 5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.966 19.823 3.648 1.00 0.00 H new ATOM 297 N GLN A 23 -8.685 14.081 8.029 1.00 0.00 N ATOM 298 CA GLN A 23 -7.488 13.722 8.781 1.00 0.00 C ATOM 299 C GLN A 23 -6.230 13.983 7.960 1.00 0.00 C ATOM 300 O GLN A 23 -6.244 13.947 6.730 1.00 0.00 O ATOM 301 CB GLN A 23 -7.544 12.251 9.197 1.00 0.00 C ATOM 302 CG GLN A 23 -8.649 11.941 10.194 1.00 0.00 C ATOM 303 CD GLN A 23 -8.281 12.329 11.612 1.00 0.00 C ATOM 304 OE1 GLN A 23 -8.133 13.510 11.927 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.131 11.333 12.478 1.00 0.00 N ATOM 0 H GLN A 23 -8.720 13.699 7.084 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.451 14.344 9.675 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.685 11.636 8.308 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.585 11.968 9.631 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.556 12.469 9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.875 10.875 10.160 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.263 10.368 12.174 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.884 11.533 13.447 1.00 0.00 H new ATOM 314 N PRO A 24 -5.115 14.254 8.655 1.00 0.00 N ATOM 315 CA PRO A 24 -3.827 14.527 8.011 1.00 0.00 C ATOM 316 C PRO A 24 -3.234 13.285 7.353 1.00 0.00 C ATOM 317 O PRO A 24 -3.923 12.284 7.158 1.00 0.00 O ATOM 318 CB PRO A 24 -2.942 14.993 9.169 1.00 0.00 C ATOM 319 CG PRO A 24 -3.545 14.371 10.381 1.00 0.00 C ATOM 320 CD PRO A 24 -5.026 14.314 10.124 1.00 0.00 C ATOM 0 HA PRO A 24 -3.920 15.258 7.208 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.909 14.672 9.032 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.931 16.080 9.246 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.140 13.373 10.550 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.326 14.960 11.272 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.481 13.440 10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.537 15.191 10.522 1.00 0.00 H new ATOM 328 N HIS A 25 -1.950 13.358 7.014 1.00 0.00 N ATOM 329 CA HIS A 25 -1.264 12.238 6.379 1.00 0.00 C ATOM 330 C HIS A 25 -0.248 11.614 7.330 1.00 0.00 C ATOM 331 O HIS A 25 0.959 11.788 7.166 1.00 0.00 O ATOM 332 CB HIS A 25 -0.565 12.701 5.100 1.00 0.00 C ATOM 333 CG HIS A 25 0.448 11.725 4.584 1.00 0.00 C ATOM 334 ND1 HIS A 25 1.784 12.033 4.439 1.00 0.00 N ATOM 335 CD2 HIS A 25 0.313 10.440 4.179 1.00 0.00 C ATOM 336 CE1 HIS A 25 2.427 10.980 3.966 1.00 0.00 C ATOM 337 NE2 HIS A 25 1.557 10.000 3.800 1.00 0.00 N ATOM 0 H HIS A 25 -1.365 14.179 7.168 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.009 11.484 6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.315 12.876 4.329 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.074 13.656 5.289 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.603 9.868 4.158 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.484 10.929 3.752 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.774 9.068 3.448 1.00 0.00 H new ATOM 346 N ASN A 26 -0.745 10.887 8.325 1.00 0.00 N ATOM 347 CA ASN A 26 0.120 10.238 9.304 1.00 0.00 C ATOM 348 C ASN A 26 0.771 8.991 8.713 1.00 0.00 C ATOM 349 O ASN A 26 0.440 7.868 9.089 1.00 0.00 O ATOM 350 CB ASN A 26 -0.680 9.865 10.554 1.00 0.00 C ATOM 351 CG ASN A 26 -2.054 9.317 10.220 1.00 0.00 C ATOM 352 OD1 ASN A 26 -2.282 8.108 10.270 1.00 0.00 O ATOM 353 ND2 ASN A 26 -2.978 10.206 9.875 1.00 0.00 N ATOM 0 H ASN A 26 -1.742 10.732 8.475 1.00 0.00 H new ATOM 0 HA ASN A 26 0.906 10.941 9.580 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.126 9.123 11.128 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.787 10.744 11.189 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.921 9.896 9.638 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.745 11.199 9.847 1.00 0.00 H new ATOM 360 N ASN A 27 1.699 9.199 7.784 1.00 0.00 N ATOM 361 CA ASN A 27 2.397 8.092 7.141 1.00 0.00 C ATOM 362 C ASN A 27 1.407 7.121 6.503 1.00 0.00 C ATOM 363 O ASN A 27 1.636 5.912 6.478 1.00 0.00 O ATOM 364 CB ASN A 27 3.271 7.353 8.156 1.00 0.00 C ATOM 365 CG ASN A 27 4.608 8.034 8.373 1.00 0.00 C ATOM 366 OD1 ASN A 27 4.716 9.257 8.283 1.00 0.00 O ATOM 367 ND2 ASN A 27 5.635 7.243 8.660 1.00 0.00 N ATOM 0 H ASN A 27 1.985 10.123 7.460 1.00 0.00 H new ATOM 0 HA ASN A 27 3.032 8.503 6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.742 7.287 9.107 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.438 6.332 7.812 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.560 7.644 8.816 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.499 6.234 8.725 1.00 0.00 H new ATOM 374 N ARG A 28 0.306 7.660 5.989 1.00 0.00 N ATOM 375 CA ARG A 28 -0.719 6.843 5.352 1.00 0.00 C ATOM 376 C ARG A 28 -0.594 6.900 3.832 1.00 0.00 C ATOM 377 O ARG A 28 0.029 7.810 3.284 1.00 0.00 O ATOM 378 CB ARG A 28 -2.112 7.310 5.778 1.00 0.00 C ATOM 379 CG ARG A 28 -2.296 7.382 7.285 1.00 0.00 C ATOM 380 CD ARG A 28 -3.734 7.709 7.655 1.00 0.00 C ATOM 381 NE ARG A 28 -4.579 6.518 7.675 1.00 0.00 N ATOM 382 CZ ARG A 28 -4.651 5.686 8.708 1.00 0.00 C ATOM 383 NH1 ARG A 28 -3.932 5.914 9.799 1.00 0.00 N ATOM 384 NH2 ARG A 28 -5.443 4.623 8.651 1.00 0.00 N ATOM 0 H ARG A 28 0.101 8.659 6.002 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.576 5.811 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.303 8.294 5.350 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.857 6.631 5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.011 6.430 7.733 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.631 8.141 7.698 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.757 8.186 8.635 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.137 8.428 6.941 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.145 6.314 6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.322 6.730 9.846 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.989 5.273 10.591 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.997 4.444 7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.498 3.985 9.445 1.00 0.00 H new ATOM 398 N PHE A 29 -1.189 5.923 3.157 1.00 0.00 N ATOM 399 CA PHE A 29 -1.143 5.861 1.701 1.00 0.00 C ATOM 400 C PHE A 29 -2.392 6.490 1.090 1.00 0.00 C ATOM 401 O PHE A 29 -3.513 6.198 1.506 1.00 0.00 O ATOM 402 CB PHE A 29 -1.010 4.410 1.235 1.00 0.00 C ATOM 403 CG PHE A 29 -1.331 4.215 -0.219 1.00 0.00 C ATOM 404 CD1 PHE A 29 -2.646 4.134 -0.647 1.00 0.00 C ATOM 405 CD2 PHE A 29 -0.318 4.113 -1.159 1.00 0.00 C ATOM 406 CE1 PHE A 29 -2.944 3.955 -1.984 1.00 0.00 C ATOM 407 CE2 PHE A 29 -0.610 3.934 -2.498 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.925 3.855 -2.911 1.00 0.00 C ATOM 0 H PHE A 29 -1.709 5.163 3.595 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.272 6.425 1.366 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.008 4.068 1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.672 3.783 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.447 4.212 0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.712 4.174 -0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.974 3.893 -2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.189 3.856 -3.220 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.156 3.715 -3.957 1.00 0.00 H new ATOM 418 N MET A 30 -2.189 7.355 0.102 1.00 0.00 N ATOM 419 CA MET A 30 -3.298 8.025 -0.566 1.00 0.00 C ATOM 420 C MET A 30 -3.142 7.955 -2.082 1.00 0.00 C ATOM 421 O MET A 30 -2.078 7.596 -2.590 1.00 0.00 O ATOM 422 CB MET A 30 -3.384 9.486 -0.119 1.00 0.00 C ATOM 423 CG MET A 30 -3.871 9.655 1.311 1.00 0.00 C ATOM 424 SD MET A 30 -4.754 11.207 1.565 1.00 0.00 S ATOM 425 CE MET A 30 -3.415 12.277 2.085 1.00 0.00 C ATOM 0 H MET A 30 -1.267 7.608 -0.254 1.00 0.00 H new ATOM 0 HA MET A 30 -4.219 7.512 -0.288 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.401 9.946 -0.216 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.055 10.024 -0.789 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.526 8.823 1.569 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.018 9.611 1.989 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.675 13.314 1.875 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.246 12.155 3.155 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.507 12.014 1.542 1.00 0.00 H new ATOM 435 N ILE A 31 -4.206 8.298 -2.799 1.00 0.00 N ATOM 436 CA ILE A 31 -4.186 8.274 -4.256 1.00 0.00 C ATOM 437 C ILE A 31 -4.928 9.472 -4.837 1.00 0.00 C ATOM 438 O ILE A 31 -5.858 9.997 -4.222 1.00 0.00 O ATOM 439 CB ILE A 31 -4.814 6.979 -4.807 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.331 6.999 -4.610 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.202 5.763 -4.127 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.759 6.735 -3.184 1.00 0.00 C ATOM 0 H ILE A 31 -5.094 8.596 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.139 8.318 -4.557 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.606 6.917 -5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.717 7.969 -4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.784 6.251 -5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.656 4.856 -4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.128 5.744 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.383 5.817 -3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.847 6.764 -3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.403 5.753 -2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.336 7.497 -2.530 1.00 0.00 H new ATOM 454 N CYS A 32 -4.514 9.900 -6.024 1.00 0.00 N ATOM 455 CA CYS A 32 -5.141 11.037 -6.689 1.00 0.00 C ATOM 456 C CYS A 32 -6.334 10.587 -7.525 1.00 0.00 C ATOM 457 O CYS A 32 -6.193 9.785 -8.448 1.00 0.00 O ATOM 458 CB CYS A 32 -4.125 11.759 -7.575 1.00 0.00 C ATOM 459 SG CYS A 32 -4.476 13.516 -7.820 1.00 0.00 S ATOM 0 H CYS A 32 -3.747 9.477 -6.546 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.497 11.725 -5.922 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.134 11.656 -7.132 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.092 11.267 -8.547 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.561 14.039 -8.580 1.00 0.00 H new ATOM 465 N CYS A 33 -7.511 11.108 -7.194 1.00 0.00 N ATOM 466 CA CYS A 33 -8.731 10.759 -7.912 1.00 0.00 C ATOM 467 C CYS A 33 -8.837 11.544 -9.217 1.00 0.00 C ATOM 468 O CYS A 33 -8.148 12.545 -9.410 1.00 0.00 O ATOM 469 CB CYS A 33 -9.958 11.033 -7.039 1.00 0.00 C ATOM 470 SG CYS A 33 -11.493 10.267 -7.653 1.00 0.00 S ATOM 0 H CYS A 33 -7.646 11.774 -6.433 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.692 9.696 -8.149 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.761 10.670 -6.030 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.106 12.110 -6.967 1.00 0.00 H new ATOM 475 N ASP A 34 -9.705 11.081 -10.110 1.00 0.00 N ATOM 476 CA ASP A 34 -9.903 11.739 -11.397 1.00 0.00 C ATOM 477 C ASP A 34 -11.240 12.471 -11.432 1.00 0.00 C ATOM 478 O ASP A 34 -11.472 13.319 -12.294 1.00 0.00 O ATOM 479 CB ASP A 34 -9.837 10.716 -12.532 1.00 0.00 C ATOM 480 CG ASP A 34 -8.416 10.289 -12.845 1.00 0.00 C ATOM 481 OD1 ASP A 34 -7.698 9.884 -11.908 1.00 0.00 O ATOM 482 OD2 ASP A 34 -8.024 10.360 -14.028 1.00 0.00 O ATOM 0 H ASP A 34 -10.283 10.253 -9.967 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.106 12.470 -11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.425 9.839 -12.262 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.291 11.141 -13.427 1.00 0.00 H new ATOM 487 N ARG A 35 -12.117 12.137 -10.491 1.00 0.00 N ATOM 488 CA ARG A 35 -13.433 12.762 -10.416 1.00 0.00 C ATOM 489 C ARG A 35 -13.391 14.014 -9.546 1.00 0.00 C ATOM 490 O ARG A 35 -13.649 15.121 -10.020 1.00 0.00 O ATOM 491 CB ARG A 35 -14.459 11.774 -9.858 1.00 0.00 C ATOM 492 CG ARG A 35 -15.041 10.842 -10.908 1.00 0.00 C ATOM 493 CD ARG A 35 -16.284 11.435 -11.553 1.00 0.00 C ATOM 494 NE ARG A 35 -15.955 12.301 -12.682 1.00 0.00 N ATOM 495 CZ ARG A 35 -16.819 12.622 -13.638 1.00 0.00 C ATOM 496 NH1 ARG A 35 -18.058 12.151 -13.602 1.00 0.00 N ATOM 497 NH2 ARG A 35 -16.445 13.416 -14.633 1.00 0.00 N ATOM 0 H ARG A 35 -11.941 11.437 -9.770 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.729 13.051 -11.425 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.989 11.178 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.270 12.331 -9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.292 10.643 -11.674 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.289 9.885 -10.449 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.936 10.630 -11.892 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.841 12.005 -10.810 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.010 12.680 -12.739 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.350 11.541 -12.839 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.720 12.399 -14.338 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.493 13.781 -14.664 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.110 13.662 -15.367 1.00 0.00 H new ATOM 511 N CYS A 36 -13.065 13.832 -8.271 1.00 0.00 N ATOM 512 CA CYS A 36 -12.991 14.946 -7.333 1.00 0.00 C ATOM 513 C CYS A 36 -11.561 15.467 -7.220 1.00 0.00 C ATOM 514 O CYS A 36 -11.326 16.552 -6.689 1.00 0.00 O ATOM 515 CB CYS A 36 -13.499 14.515 -5.956 1.00 0.00 C ATOM 516 SG CYS A 36 -12.544 13.159 -5.202 1.00 0.00 S ATOM 0 H CYS A 36 -12.848 12.923 -7.863 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.623 15.750 -7.711 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.478 15.375 -5.287 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.540 14.206 -6.045 1.00 0.00 H new ATOM 521 N GLU A 37 -10.611 14.686 -7.724 1.00 0.00 N ATOM 522 CA GLU A 37 -9.204 15.068 -7.679 1.00 0.00 C ATOM 523 C GLU A 37 -8.778 15.407 -6.253 1.00 0.00 C ATOM 524 O GLU A 37 -8.209 16.468 -6.001 1.00 0.00 O ATOM 525 CB GLU A 37 -8.949 16.265 -8.598 1.00 0.00 C ATOM 526 CG GLU A 37 -9.287 15.997 -10.054 1.00 0.00 C ATOM 527 CD GLU A 37 -9.208 17.246 -10.911 1.00 0.00 C ATOM 528 OE1 GLU A 37 -8.087 17.619 -11.314 1.00 0.00 O ATOM 529 OE2 GLU A 37 -10.268 17.849 -11.178 1.00 0.00 O ATOM 0 H GLU A 37 -10.790 13.785 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.612 14.221 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.537 17.113 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.900 16.552 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.603 15.246 -10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.292 15.579 -10.119 1.00 0.00 H new ATOM 536 N GLU A 38 -9.060 14.498 -5.325 1.00 0.00 N ATOM 537 CA GLU A 38 -8.707 14.702 -3.925 1.00 0.00 C ATOM 538 C GLU A 38 -7.839 13.557 -3.411 1.00 0.00 C ATOM 539 O GLU A 38 -7.752 12.501 -4.037 1.00 0.00 O ATOM 540 CB GLU A 38 -9.971 14.822 -3.070 1.00 0.00 C ATOM 541 CG GLU A 38 -10.489 16.245 -2.946 1.00 0.00 C ATOM 542 CD GLU A 38 -11.464 16.413 -1.797 1.00 0.00 C ATOM 543 OE1 GLU A 38 -12.613 15.941 -1.921 1.00 0.00 O ATOM 544 OE2 GLU A 38 -11.078 17.017 -0.775 1.00 0.00 O ATOM 0 H GLU A 38 -9.531 13.614 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.138 15.628 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.752 14.196 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.764 14.432 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.647 16.923 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.978 16.532 -3.877 1.00 0.00 H new ATOM 551 N TRP A 39 -7.199 13.776 -2.268 1.00 0.00 N ATOM 552 CA TRP A 39 -6.337 12.764 -1.669 1.00 0.00 C ATOM 553 C TRP A 39 -7.033 12.078 -0.499 1.00 0.00 C ATOM 554 O TRP A 39 -7.348 12.714 0.507 1.00 0.00 O ATOM 555 CB TRP A 39 -5.025 13.394 -1.199 1.00 0.00 C ATOM 556 CG TRP A 39 -4.178 13.911 -2.323 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.091 15.203 -2.756 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.301 13.146 -3.157 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.212 15.288 -3.809 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.714 14.039 -4.074 1.00 0.00 C ATOM 561 CE3 TRP A 39 -2.953 11.794 -3.217 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.800 13.622 -5.038 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.047 11.381 -4.175 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.478 12.293 -5.075 1.00 0.00 C ATOM 0 H TRP A 39 -7.261 14.645 -1.738 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.120 12.013 -2.429 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.248 14.213 -0.515 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.456 12.654 -0.636 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.633 16.036 -2.333 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.970 16.142 -4.312 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.385 11.084 -2.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.361 14.323 -5.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.773 10.338 -4.231 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.772 11.939 -5.812 1.00 0.00 H new ATOM 575 N PHE A 40 -7.271 10.778 -0.637 1.00 0.00 N ATOM 576 CA PHE A 40 -7.932 10.007 0.410 1.00 0.00 C ATOM 577 C PHE A 40 -7.073 8.818 0.833 1.00 0.00 C ATOM 578 O PHE A 40 -6.187 8.384 0.096 1.00 0.00 O ATOM 579 CB PHE A 40 -9.298 9.516 -0.074 1.00 0.00 C ATOM 580 CG PHE A 40 -10.112 10.582 -0.750 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.903 11.444 -0.007 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.088 10.722 -2.128 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.654 12.426 -0.625 1.00 0.00 C ATOM 584 CE2 PHE A 40 -10.835 11.703 -2.752 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.620 12.555 -2.000 1.00 0.00 C ATOM 0 H PHE A 40 -7.016 10.236 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.072 10.658 1.273 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.153 8.687 -0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.858 9.127 0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.933 11.347 1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.478 10.057 -2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.266 13.091 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.805 11.803 -3.827 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.206 13.321 -2.486 1.00 0.00 H new ATOM 595 N HIS A 41 -7.342 8.297 2.026 1.00 0.00 N ATOM 596 CA HIS A 41 -6.595 7.159 2.549 1.00 0.00 C ATOM 597 C HIS A 41 -7.130 5.849 1.978 1.00 0.00 C ATOM 598 O HIS A 41 -8.303 5.520 2.146 1.00 0.00 O ATOM 599 CB HIS A 41 -6.670 7.131 4.076 1.00 0.00 C ATOM 600 CG HIS A 41 -6.212 8.402 4.721 1.00 0.00 C ATOM 601 ND1 HIS A 41 -6.945 9.065 5.682 1.00 0.00 N ATOM 602 CD2 HIS A 41 -5.086 9.131 4.540 1.00 0.00 C ATOM 603 CE1 HIS A 41 -6.291 10.148 6.063 1.00 0.00 C ATOM 604 NE2 HIS A 41 -5.159 10.211 5.385 1.00 0.00 N ATOM 0 H HIS A 41 -8.071 8.645 2.648 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.554 7.269 2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.698 6.930 4.377 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.062 6.306 4.446 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.280 8.905 3.858 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.625 10.860 6.803 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.454 10.943 5.475 1.00 0.00 H new ATOM 612 N GLY A 42 -6.261 5.105 1.300 1.00 0.00 N ATOM 613 CA GLY A 42 -6.665 3.841 0.713 1.00 0.00 C ATOM 614 C GLY A 42 -7.688 3.110 1.560 1.00 0.00 C ATOM 615 O GLY A 42 -8.810 2.866 1.115 1.00 0.00 O ATOM 0 H GLY A 42 -5.284 5.355 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.080 4.021 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.788 3.208 0.581 1.00 0.00 H new ATOM 619 N ASP A 43 -7.301 2.759 2.781 1.00 0.00 N ATOM 620 CA ASP A 43 -8.194 2.050 3.691 1.00 0.00 C ATOM 621 C ASP A 43 -9.557 2.731 3.755 1.00 0.00 C ATOM 622 O ASP A 43 -10.589 2.101 3.520 1.00 0.00 O ATOM 623 CB ASP A 43 -7.579 1.980 5.090 1.00 0.00 C ATOM 624 CG ASP A 43 -8.629 1.884 6.179 1.00 0.00 C ATOM 625 OD1 ASP A 43 -9.119 0.764 6.434 1.00 0.00 O ATOM 626 OD2 ASP A 43 -8.961 2.929 6.777 1.00 0.00 O ATOM 0 H ASP A 43 -6.376 2.953 3.164 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.331 1.038 3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.917 1.116 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.965 2.864 5.258 1.00 0.00 H new ATOM 631 N CYS A 44 -9.555 4.021 4.075 1.00 0.00 N ATOM 632 CA CYS A 44 -10.791 4.788 4.171 1.00 0.00 C ATOM 633 C CYS A 44 -11.633 4.623 2.910 1.00 0.00 C ATOM 634 O CYS A 44 -12.826 4.326 2.981 1.00 0.00 O ATOM 635 CB CYS A 44 -10.480 6.268 4.400 1.00 0.00 C ATOM 636 SG CYS A 44 -10.144 6.697 6.138 1.00 0.00 S ATOM 0 H CYS A 44 -8.710 4.557 4.272 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.361 4.408 5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.616 6.545 3.795 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.321 6.864 4.046 1.00 0.00 H new ATOM 641 N VAL A 45 -11.004 4.817 1.755 1.00 0.00 N ATOM 642 CA VAL A 45 -11.694 4.689 0.477 1.00 0.00 C ATOM 643 C VAL A 45 -11.765 3.231 0.034 1.00 0.00 C ATOM 644 O VAL A 45 -12.296 2.920 -1.031 1.00 0.00 O ATOM 645 CB VAL A 45 -10.999 5.514 -0.622 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.015 6.994 -0.269 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.575 5.024 -0.836 1.00 0.00 C ATOM 0 H VAL A 45 -10.017 5.064 1.678 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.704 5.071 0.624 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.548 5.381 -1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.520 7.561 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.046 7.334 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.491 7.149 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.099 5.618 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.012 5.125 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.592 3.977 -1.137 1.00 0.00 H new ATOM 657 N GLY A 46 -11.225 2.341 0.861 1.00 0.00 N ATOM 658 CA GLY A 46 -11.237 0.926 0.538 1.00 0.00 C ATOM 659 C GLY A 46 -9.987 0.489 -0.201 1.00 0.00 C ATOM 660 O GLY A 46 -9.331 -0.475 0.192 1.00 0.00 O ATOM 0 H GLY A 46 -10.780 2.574 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.333 0.348 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.112 0.703 -0.072 1.00 0.00 H new ATOM 664 N ILE A 47 -9.659 1.199 -1.275 1.00 0.00 N ATOM 665 CA ILE A 47 -8.480 0.879 -2.071 1.00 0.00 C ATOM 666 C ILE A 47 -7.269 0.621 -1.180 1.00 0.00 C ATOM 667 O ILE A 47 -6.904 1.458 -0.355 1.00 0.00 O ATOM 668 CB ILE A 47 -8.144 2.010 -3.061 1.00 0.00 C ATOM 669 CG1 ILE A 47 -9.305 2.226 -4.034 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.864 1.689 -3.817 1.00 0.00 C ATOM 671 CD1 ILE A 47 -9.621 1.010 -4.877 1.00 0.00 C ATOM 0 H ILE A 47 -10.193 1.999 -1.614 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.714 -0.025 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.989 2.931 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.194 2.508 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.067 3.062 -4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.640 2.498 -4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.042 1.580 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.992 0.759 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.454 1.235 -5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.746 0.740 -5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.891 0.177 -4.228 1.00 0.00 H new ATOM 683 N SER A 48 -6.650 -0.542 -1.355 1.00 0.00 N ATOM 684 CA SER A 48 -5.480 -0.911 -0.566 1.00 0.00 C ATOM 685 C SER A 48 -4.196 -0.449 -1.249 1.00 0.00 C ATOM 686 O SER A 48 -4.152 -0.293 -2.469 1.00 0.00 O ATOM 687 CB SER A 48 -5.441 -2.425 -0.350 1.00 0.00 C ATOM 688 OG SER A 48 -6.377 -2.824 0.636 1.00 0.00 O ATOM 0 H SER A 48 -6.939 -1.245 -2.036 1.00 0.00 H new ATOM 0 HA SER A 48 -5.554 -0.415 0.402 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.657 -2.935 -1.289 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.438 -2.727 -0.047 1.00 0.00 H new ATOM 0 HG SER A 48 -6.334 -3.796 0.754 1.00 0.00 H new ATOM 694 N GLU A 49 -3.154 -0.234 -0.452 1.00 0.00 N ATOM 695 CA GLU A 49 -1.869 0.211 -0.980 1.00 0.00 C ATOM 696 C GLU A 49 -1.428 -0.667 -2.147 1.00 0.00 C ATOM 697 O GLU A 49 -0.880 -0.176 -3.134 1.00 0.00 O ATOM 698 CB GLU A 49 -0.806 0.188 0.120 1.00 0.00 C ATOM 699 CG GLU A 49 0.301 1.209 -0.083 1.00 0.00 C ATOM 700 CD GLU A 49 1.624 0.759 0.507 1.00 0.00 C ATOM 701 OE1 GLU A 49 2.253 -0.151 -0.074 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.031 1.316 1.547 1.00 0.00 O ATOM 0 H GLU A 49 -3.174 -0.360 0.560 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.987 1.233 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.286 0.371 1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.366 -0.808 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.427 1.395 -1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.007 2.154 0.373 1.00 0.00 H new ATOM 709 N ALA A 50 -1.670 -1.968 -2.027 1.00 0.00 N ATOM 710 CA ALA A 50 -1.299 -2.915 -3.072 1.00 0.00 C ATOM 711 C ALA A 50 -2.022 -2.601 -4.378 1.00 0.00 C ATOM 712 O ALA A 50 -1.441 -2.699 -5.458 1.00 0.00 O ATOM 713 CB ALA A 50 -1.603 -4.338 -2.627 1.00 0.00 C ATOM 0 H ALA A 50 -2.122 -2.391 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.227 -2.823 -3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.321 -5.034 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.037 -4.565 -1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.669 -4.435 -2.421 1.00 0.00 H new ATOM 719 N ARG A 51 -3.292 -2.225 -4.270 1.00 0.00 N ATOM 720 CA ARG A 51 -4.094 -1.899 -5.443 1.00 0.00 C ATOM 721 C ARG A 51 -3.633 -0.587 -6.070 1.00 0.00 C ATOM 722 O ARG A 51 -3.211 -0.553 -7.225 1.00 0.00 O ATOM 723 CB ARG A 51 -5.573 -1.804 -5.066 1.00 0.00 C ATOM 724 CG ARG A 51 -6.341 -3.099 -5.279 1.00 0.00 C ATOM 725 CD ARG A 51 -6.565 -3.376 -6.757 1.00 0.00 C ATOM 726 NE ARG A 51 -7.108 -4.713 -6.987 1.00 0.00 N ATOM 727 CZ ARG A 51 -6.979 -5.371 -8.134 1.00 0.00 C ATOM 728 NH1 ARG A 51 -6.329 -4.820 -9.149 1.00 0.00 N ATOM 729 NH2 ARG A 51 -7.501 -6.584 -8.266 1.00 0.00 N ATOM 0 H ARG A 51 -3.788 -2.139 -3.383 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.963 -2.697 -6.174 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.654 -1.511 -4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.039 -1.014 -5.655 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.791 -3.927 -4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.302 -3.042 -4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.248 -2.632 -7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.622 -3.271 -7.293 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.614 -5.166 -6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.926 -3.888 -9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.232 -5.328 -10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.001 -7.011 -7.487 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.402 -7.089 -9.147 1.00 0.00 H new ATOM 743 N GLY A 52 -3.717 0.493 -5.299 1.00 0.00 N ATOM 744 CA GLY A 52 -3.305 1.793 -5.795 1.00 0.00 C ATOM 745 C GLY A 52 -1.886 1.788 -6.328 1.00 0.00 C ATOM 746 O GLY A 52 -1.600 2.398 -7.358 1.00 0.00 O ATOM 0 H GLY A 52 -4.063 0.491 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.986 2.109 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.386 2.527 -4.993 1.00 0.00 H new ATOM 750 N ARG A 53 -0.994 1.100 -5.623 1.00 0.00 N ATOM 751 CA ARG A 53 0.404 1.021 -6.029 1.00 0.00 C ATOM 752 C ARG A 53 0.521 0.660 -7.507 1.00 0.00 C ATOM 753 O ARG A 53 1.372 1.191 -8.222 1.00 0.00 O ATOM 754 CB ARG A 53 1.146 -0.013 -5.181 1.00 0.00 C ATOM 755 CG ARG A 53 1.812 0.575 -3.948 1.00 0.00 C ATOM 756 CD ARG A 53 3.171 1.171 -4.280 1.00 0.00 C ATOM 757 NE ARG A 53 3.830 1.723 -3.099 1.00 0.00 N ATOM 758 CZ ARG A 53 5.142 1.917 -3.013 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.929 1.608 -4.033 1.00 0.00 N ATOM 760 NH2 ARG A 53 5.667 2.423 -1.905 1.00 0.00 N ATOM 0 H ARG A 53 -1.214 0.589 -4.768 1.00 0.00 H new ATOM 0 HA ARG A 53 0.857 2.000 -5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.444 -0.787 -4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.904 -0.499 -5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.171 1.345 -3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.929 -0.201 -3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.805 0.403 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.050 1.955 -5.027 1.00 0.00 H new ATOM 0 HE ARG A 53 3.252 1.973 -2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.528 1.220 -4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.936 1.758 -3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.064 2.663 -1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.674 2.572 -1.840 1.00 0.00 H new ATOM 774 N LEU A 54 -0.339 -0.246 -7.959 1.00 0.00 N ATOM 775 CA LEU A 54 -0.332 -0.679 -9.353 1.00 0.00 C ATOM 776 C LEU A 54 -1.252 0.196 -10.199 1.00 0.00 C ATOM 777 O LEU A 54 -0.908 0.577 -11.318 1.00 0.00 O ATOM 778 CB LEU A 54 -0.765 -2.142 -9.455 1.00 0.00 C ATOM 779 CG LEU A 54 0.300 -3.183 -9.105 1.00 0.00 C ATOM 780 CD1 LEU A 54 -0.329 -4.558 -8.947 1.00 0.00 C ATOM 781 CD2 LEU A 54 1.388 -3.211 -10.169 1.00 0.00 C ATOM 0 H LEU A 54 -1.050 -0.695 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 54 0.685 -0.580 -9.734 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.622 -2.293 -8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.107 -2.329 -10.473 1.00 0.00 H new ATOM 0 HG LEU A 54 0.756 -2.904 -8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.444 -5.285 -8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.071 -4.529 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.812 -4.847 -9.881 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.137 -3.957 -9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.948 -3.466 -11.133 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.859 -2.230 -10.233 1.00 0.00 H new ATOM 793 N LEU A 55 -2.423 0.511 -9.656 1.00 0.00 N ATOM 794 CA LEU A 55 -3.393 1.343 -10.360 1.00 0.00 C ATOM 795 C LEU A 55 -2.693 2.437 -11.160 1.00 0.00 C ATOM 796 O LEU A 55 -3.200 2.889 -12.186 1.00 0.00 O ATOM 797 CB LEU A 55 -4.374 1.969 -9.367 1.00 0.00 C ATOM 798 CG LEU A 55 -5.423 1.027 -8.775 1.00 0.00 C ATOM 799 CD1 LEU A 55 -6.113 1.677 -7.585 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.441 0.630 -9.833 1.00 0.00 C ATOM 0 H LEU A 55 -2.724 0.203 -8.731 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.944 0.708 -11.053 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.802 2.404 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.891 2.789 -9.866 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.919 0.125 -8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.856 0.992 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.374 1.910 -6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.604 2.596 -7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.180 -0.040 -9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.940 1.522 -10.211 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.934 0.123 -10.654 1.00 0.00 H new ATOM 812 N GLU A 56 -1.525 2.856 -10.683 1.00 0.00 N ATOM 813 CA GLU A 56 -0.756 3.897 -11.355 1.00 0.00 C ATOM 814 C GLU A 56 0.183 3.293 -12.395 1.00 0.00 C ATOM 815 O GLU A 56 -0.030 3.440 -13.599 1.00 0.00 O ATOM 816 CB GLU A 56 0.048 4.707 -10.336 1.00 0.00 C ATOM 817 CG GLU A 56 0.348 3.947 -9.055 1.00 0.00 C ATOM 818 CD GLU A 56 1.536 4.516 -8.303 1.00 0.00 C ATOM 819 OE1 GLU A 56 2.681 4.142 -8.634 1.00 0.00 O ATOM 820 OE2 GLU A 56 1.321 5.335 -7.386 1.00 0.00 O ATOM 0 H GLU A 56 -1.091 2.491 -9.835 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.457 4.560 -11.863 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.988 5.019 -10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.503 5.615 -10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.530 3.969 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.541 2.901 -9.294 1.00 0.00 H new ATOM 827 N ARG A 57 1.223 2.614 -11.922 1.00 0.00 N ATOM 828 CA ARG A 57 2.196 1.989 -12.810 1.00 0.00 C ATOM 829 C ARG A 57 1.503 1.335 -14.001 1.00 0.00 C ATOM 830 O ARG A 57 2.047 1.296 -15.104 1.00 0.00 O ATOM 831 CB ARG A 57 3.017 0.946 -12.048 1.00 0.00 C ATOM 832 CG ARG A 57 2.327 -0.402 -11.927 1.00 0.00 C ATOM 833 CD ARG A 57 2.685 -1.318 -13.088 1.00 0.00 C ATOM 834 NE ARG A 57 4.100 -1.682 -13.082 1.00 0.00 N ATOM 835 CZ ARG A 57 4.741 -2.154 -14.144 1.00 0.00 C ATOM 836 NH1 ARG A 57 4.098 -2.319 -15.292 1.00 0.00 N ATOM 837 NH2 ARG A 57 6.029 -2.463 -14.060 1.00 0.00 N ATOM 0 H ARG A 57 1.413 2.483 -10.929 1.00 0.00 H new ATOM 0 HA ARG A 57 2.863 2.766 -13.182 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.974 0.811 -12.552 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.233 1.325 -11.049 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.613 -0.875 -10.987 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.247 -0.258 -11.896 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.078 -2.222 -13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.442 -0.823 -14.028 1.00 0.00 H new ATOM 0 HE ARG A 57 4.624 -1.567 -12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.108 -2.083 -15.361 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.593 -2.682 -16.106 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.527 -2.338 -13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.521 -2.826 -14.877 1.00 0.00 H new ATOM 851 N ASN A 58 0.299 0.821 -13.770 1.00 0.00 N ATOM 852 CA ASN A 58 -0.468 0.167 -14.825 1.00 0.00 C ATOM 853 C ASN A 58 -1.096 1.197 -15.759 1.00 0.00 C ATOM 854 O ASN A 58 -1.117 1.016 -16.976 1.00 0.00 O ATOM 855 CB ASN A 58 -1.559 -0.717 -14.217 1.00 0.00 C ATOM 856 CG ASN A 58 -1.078 -2.133 -13.959 1.00 0.00 C ATOM 857 OD1 ASN A 58 -0.200 -2.639 -14.659 1.00 0.00 O ATOM 858 ND2 ASN A 58 -1.654 -2.779 -12.952 1.00 0.00 N ATOM 0 H ASN A 58 -0.166 0.845 -12.863 1.00 0.00 H new ATOM 0 HA ASN A 58 0.215 -0.455 -15.404 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.901 -0.276 -13.281 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.417 -0.744 -14.888 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.373 -3.734 -12.732 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.378 -2.320 -12.399 1.00 0.00 H new ATOM 865 N GLY A 59 -1.606 2.280 -15.181 1.00 0.00 N ATOM 866 CA GLY A 59 -2.227 3.323 -15.976 1.00 0.00 C ATOM 867 C GLY A 59 -3.741 3.275 -15.916 1.00 0.00 C ATOM 868 O GLY A 59 -4.418 3.668 -16.865 1.00 0.00 O ATOM 0 H GLY A 59 -1.600 2.454 -14.176 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.883 4.296 -15.625 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.904 3.226 -17.013 1.00 0.00 H new ATOM 872 N GLU A 60 -4.272 2.790 -14.798 1.00 0.00 N ATOM 873 CA GLU A 60 -5.716 2.690 -14.621 1.00 0.00 C ATOM 874 C GLU A 60 -6.292 4.002 -14.098 1.00 0.00 C ATOM 875 O GLU A 60 -5.553 4.931 -13.773 1.00 0.00 O ATOM 876 CB GLU A 60 -6.056 1.551 -13.656 1.00 0.00 C ATOM 877 CG GLU A 60 -5.942 0.171 -14.280 1.00 0.00 C ATOM 878 CD GLU A 60 -6.963 -0.060 -15.377 1.00 0.00 C ATOM 879 OE1 GLU A 60 -8.142 -0.309 -15.047 1.00 0.00 O ATOM 880 OE2 GLU A 60 -6.585 0.010 -16.565 1.00 0.00 O ATOM 0 H GLU A 60 -3.725 2.461 -14.003 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.162 2.479 -15.593 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.392 1.606 -12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.072 1.690 -13.286 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.940 0.043 -14.689 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.069 -0.585 -13.505 1.00 0.00 H new ATOM 887 N ASP A 61 -7.617 4.071 -14.022 1.00 0.00 N ATOM 888 CA ASP A 61 -8.294 5.269 -13.539 1.00 0.00 C ATOM 889 C ASP A 61 -9.012 4.994 -12.221 1.00 0.00 C ATOM 890 O ASP A 61 -10.134 4.487 -12.208 1.00 0.00 O ATOM 891 CB ASP A 61 -9.292 5.772 -14.582 1.00 0.00 C ATOM 892 CG ASP A 61 -10.129 4.653 -15.170 1.00 0.00 C ATOM 893 OD1 ASP A 61 -9.572 3.831 -15.926 1.00 0.00 O ATOM 894 OD2 ASP A 61 -11.342 4.600 -14.873 1.00 0.00 O ATOM 0 H ASP A 61 -8.243 3.311 -14.289 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.541 6.038 -13.368 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.949 6.511 -14.125 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.752 6.277 -15.383 1.00 0.00 H new ATOM 899 N TYR A 62 -8.357 5.330 -11.115 1.00 0.00 N ATOM 900 CA TYR A 62 -8.931 5.115 -9.792 1.00 0.00 C ATOM 901 C TYR A 62 -10.073 6.092 -9.529 1.00 0.00 C ATOM 902 O TYR A 62 -9.921 7.302 -9.696 1.00 0.00 O ATOM 903 CB TYR A 62 -7.856 5.270 -8.715 1.00 0.00 C ATOM 904 CG TYR A 62 -8.378 5.838 -7.415 1.00 0.00 C ATOM 905 CD1 TYR A 62 -8.933 5.011 -6.447 1.00 0.00 C ATOM 906 CD2 TYR A 62 -8.316 7.201 -7.155 1.00 0.00 C ATOM 907 CE1 TYR A 62 -9.413 5.525 -5.257 1.00 0.00 C ATOM 908 CE2 TYR A 62 -8.791 7.724 -5.969 1.00 0.00 C ATOM 909 CZ TYR A 62 -9.339 6.882 -5.023 1.00 0.00 C ATOM 910 OH TYR A 62 -9.815 7.400 -3.840 1.00 0.00 O ATOM 0 H TYR A 62 -7.428 5.752 -11.108 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.328 4.100 -9.757 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -7.405 4.297 -8.521 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.065 5.918 -9.093 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -8.991 3.948 -6.627 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.889 7.863 -7.894 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.843 4.868 -4.515 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.734 8.786 -5.783 1.00 0.00 H new ATOM 0 HH TYR A 62 -9.293 8.193 -3.597 1.00 0.00 H new ATOM 920 N ILE A 63 -11.217 5.556 -9.117 1.00 0.00 N ATOM 921 CA ILE A 63 -12.386 6.379 -8.830 1.00 0.00 C ATOM 922 C ILE A 63 -12.844 6.198 -7.386 1.00 0.00 C ATOM 923 O ILE A 63 -13.658 5.324 -7.087 1.00 0.00 O ATOM 924 CB ILE A 63 -13.556 6.045 -9.774 1.00 0.00 C ATOM 925 CG1 ILE A 63 -13.134 6.239 -11.232 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.764 6.911 -9.446 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.573 7.613 -11.521 1.00 0.00 C ATOM 0 H ILE A 63 -11.359 4.556 -8.974 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.088 7.416 -8.987 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.833 5.000 -9.632 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.386 5.489 -11.488 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.995 6.064 -11.877 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.583 6.664 -10.121 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -15.074 6.728 -8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.501 7.962 -9.564 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.295 7.679 -12.573 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.326 8.368 -11.297 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.692 7.784 -10.902 1.00 0.00 H new ATOM 939 N CYS A 64 -12.316 7.030 -6.495 1.00 0.00 N ATOM 940 CA CYS A 64 -12.671 6.963 -5.082 1.00 0.00 C ATOM 941 C CYS A 64 -14.164 6.703 -4.908 1.00 0.00 C ATOM 942 O CYS A 64 -14.976 6.984 -5.791 1.00 0.00 O ATOM 943 CB CYS A 64 -12.283 8.264 -4.376 1.00 0.00 C ATOM 944 SG CYS A 64 -13.607 9.515 -4.342 1.00 0.00 S ATOM 0 H CYS A 64 -11.641 7.759 -6.726 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.122 6.135 -4.633 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.988 8.035 -3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.410 8.688 -4.872 1.00 0.00 H new ATOM 949 N PRO A 65 -14.537 6.154 -3.743 1.00 0.00 N ATOM 950 CA PRO A 65 -15.935 5.844 -3.425 1.00 0.00 C ATOM 951 C PRO A 65 -16.773 7.100 -3.213 1.00 0.00 C ATOM 952 O PRO A 65 -17.831 7.261 -3.820 1.00 0.00 O ATOM 953 CB PRO A 65 -15.833 5.044 -2.124 1.00 0.00 C ATOM 954 CG PRO A 65 -14.554 5.489 -1.504 1.00 0.00 C ATOM 955 CD PRO A 65 -13.624 5.793 -2.646 1.00 0.00 C ATOM 0 HA PRO A 65 -16.428 5.306 -4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.681 5.244 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.826 3.971 -2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.708 6.370 -0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.141 4.712 -0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.944 6.610 -2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.008 4.931 -2.903 1.00 0.00 H new ATOM 963 N ASN A 66 -16.293 7.988 -2.349 1.00 0.00 N ATOM 964 CA ASN A 66 -16.999 9.231 -2.058 1.00 0.00 C ATOM 965 C ASN A 66 -17.573 9.841 -3.332 1.00 0.00 C ATOM 966 O ASN A 66 -18.601 10.520 -3.300 1.00 0.00 O ATOM 967 CB ASN A 66 -16.059 10.229 -1.379 1.00 0.00 C ATOM 968 CG ASN A 66 -16.648 11.625 -1.312 1.00 0.00 C ATOM 969 OD1 ASN A 66 -16.111 12.566 -1.895 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.759 11.763 -0.597 1.00 0.00 N ATOM 0 H ASN A 66 -15.418 7.870 -1.838 1.00 0.00 H new ATOM 0 HA ASN A 66 -17.823 9.002 -1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.834 9.884 -0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.115 10.262 -1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -18.202 12.678 -0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.169 10.954 -0.131 1.00 0.00 H new ATOM 977 N CYS A 67 -16.904 9.595 -4.454 1.00 0.00 N ATOM 978 CA CYS A 67 -17.347 10.120 -5.740 1.00 0.00 C ATOM 979 C CYS A 67 -18.553 9.342 -6.258 1.00 0.00 C ATOM 980 O CYS A 67 -19.670 9.860 -6.301 1.00 0.00 O ATOM 981 CB CYS A 67 -16.208 10.056 -6.759 1.00 0.00 C ATOM 982 SG CYS A 67 -15.185 11.562 -6.826 1.00 0.00 S ATOM 0 H CYS A 67 -16.053 9.035 -4.498 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.641 11.160 -5.599 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.569 9.206 -6.521 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.629 9.871 -7.747 1.00 0.00 H new ATOM 987 N THR A 68 -18.320 8.094 -6.652 1.00 0.00 N ATOM 988 CA THR A 68 -19.386 7.244 -7.169 1.00 0.00 C ATOM 989 C THR A 68 -20.578 7.218 -6.218 1.00 0.00 C ATOM 990 O THR A 68 -21.726 7.341 -6.645 1.00 0.00 O ATOM 991 CB THR A 68 -18.894 5.802 -7.397 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.711 5.810 -8.204 1.00 0.00 O ATOM 993 CG2 THR A 68 -19.969 4.964 -8.072 1.00 0.00 C ATOM 0 H THR A 68 -17.403 7.649 -6.623 1.00 0.00 H new ATOM 0 HA THR A 68 -19.695 7.670 -8.124 1.00 0.00 H new ATOM 0 HB THR A 68 -18.668 5.361 -6.426 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.404 4.890 -8.343 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.599 3.950 -8.223 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.858 4.936 -7.442 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.222 5.405 -9.036 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.297 7.057 -4.930 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.347 7.017 -3.919 1.00 0.00 C ATOM 1003 C ILE A 69 -22.325 8.174 -4.096 1.00 0.00 C ATOM 1004 O ILE A 69 -23.533 8.013 -3.915 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.761 7.068 -2.496 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.099 5.734 -2.145 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -21.849 7.407 -1.487 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.326 5.767 -0.845 1.00 0.00 C ATOM 0 H ILE A 69 -19.352 6.952 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.876 6.073 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.002 7.849 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.866 4.962 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.425 5.449 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.419 7.439 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.279 8.379 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.628 6.646 -1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.884 4.788 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.536 6.515 -0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.000 6.021 -0.027 1.00 0.00 H new ATOM 1020 N LEU A 70 -21.796 9.339 -4.453 1.00 0.00 N ATOM 1021 CA LEU A 70 -22.623 10.524 -4.657 1.00 0.00 C ATOM 1022 C LEU A 70 -23.329 10.469 -6.007 1.00 0.00 C ATOM 1023 O LEU A 70 -24.558 10.462 -6.076 1.00 0.00 O ATOM 1024 CB LEU A 70 -21.766 11.788 -4.568 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.120 12.067 -3.210 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -19.958 13.036 -3.361 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -22.149 12.613 -2.232 1.00 0.00 C ATOM 0 H LEU A 70 -20.799 9.489 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.380 10.549 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -20.976 11.721 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -22.387 12.643 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 70 -20.734 11.128 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -19.511 13.223 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.210 12.606 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -20.319 13.975 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -21.671 12.806 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -22.566 13.541 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -22.948 11.884 -2.100 1.00 0.00 H new ATOM 1039 N SER A 71 -22.544 10.427 -7.079 1.00 0.00 N ATOM 1040 CA SER A 71 -23.095 10.374 -8.428 1.00 0.00 C ATOM 1041 C SER A 71 -23.402 8.935 -8.834 1.00 0.00 C ATOM 1042 O SER A 71 -23.040 8.495 -9.924 1.00 0.00 O ATOM 1043 CB SER A 71 -22.118 10.999 -9.426 1.00 0.00 C ATOM 1044 OG SER A 71 -20.993 10.162 -9.631 1.00 0.00 O ATOM 0 H SER A 71 -21.525 10.429 -7.039 1.00 0.00 H new ATOM 0 HA SER A 71 -24.025 10.942 -8.436 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.624 11.172 -10.376 1.00 0.00 H new ATOM 0 HB3 SER A 71 -21.790 11.971 -9.058 1.00 0.00 H new ATOM 0 HG SER A 71 -21.272 9.348 -10.099 1.00 0.00 H new ATOM 1050 N GLY A 72 -24.072 8.207 -7.946 1.00 0.00 N ATOM 1051 CA GLY A 72 -24.417 6.826 -8.228 1.00 0.00 C ATOM 1052 C GLY A 72 -25.605 6.704 -9.161 1.00 0.00 C ATOM 1053 O GLY A 72 -26.554 7.486 -9.098 1.00 0.00 O ATOM 0 H GLY A 72 -24.382 8.549 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.558 6.323 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -24.639 6.312 -7.293 1.00 0.00 H new ATOM 1057 N PRO A 73 -25.561 5.703 -10.054 1.00 0.00 N ATOM 1058 CA PRO A 73 -26.634 5.459 -11.022 1.00 0.00 C ATOM 1059 C PRO A 73 -27.907 4.943 -10.359 1.00 0.00 C ATOM 1060 O PRO A 73 -28.884 4.622 -11.036 1.00 0.00 O ATOM 1061 CB PRO A 73 -26.042 4.392 -11.946 1.00 0.00 C ATOM 1062 CG PRO A 73 -25.024 3.692 -11.113 1.00 0.00 C ATOM 1063 CD PRO A 73 -24.461 4.733 -10.185 1.00 0.00 C ATOM 0 HA PRO A 73 -26.933 6.371 -11.538 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -26.809 3.702 -12.296 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.589 4.841 -12.830 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.475 2.873 -10.553 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -24.241 3.260 -11.736 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.185 4.305 -9.221 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -23.564 5.196 -10.597 1.00 0.00 H new ATOM 1071 N SER A 74 -27.888 4.866 -9.033 1.00 0.00 N ATOM 1072 CA SER A 74 -29.040 4.385 -8.279 1.00 0.00 C ATOM 1073 C SER A 74 -30.343 4.799 -8.956 1.00 0.00 C ATOM 1074 O SER A 74 -30.609 5.986 -9.143 1.00 0.00 O ATOM 1075 CB SER A 74 -29.002 4.926 -6.848 1.00 0.00 C ATOM 1076 OG SER A 74 -28.071 4.208 -6.056 1.00 0.00 O ATOM 0 H SER A 74 -27.088 5.130 -8.458 1.00 0.00 H new ATOM 0 HA SER A 74 -28.995 3.296 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 74 -28.734 5.982 -6.862 1.00 0.00 H new ATOM 0 HB3 SER A 74 -29.994 4.855 -6.403 1.00 0.00 H new ATOM 0 HG SER A 74 -28.064 4.574 -5.147 1.00 0.00 H new ATOM 1082 N SER A 75 -31.153 3.810 -9.321 1.00 0.00 N ATOM 1083 CA SER A 75 -32.427 4.069 -9.981 1.00 0.00 C ATOM 1084 C SER A 75 -33.414 4.722 -9.019 1.00 0.00 C ATOM 1085 O SER A 75 -33.346 4.517 -7.808 1.00 0.00 O ATOM 1086 CB SER A 75 -33.016 2.767 -10.529 1.00 0.00 C ATOM 1087 OG SER A 75 -33.531 1.961 -9.484 1.00 0.00 O ATOM 0 H SER A 75 -30.949 2.822 -9.171 1.00 0.00 H new ATOM 0 HA SER A 75 -32.246 4.754 -10.809 1.00 0.00 H new ATOM 0 HB2 SER A 75 -33.809 2.994 -11.242 1.00 0.00 H new ATOM 0 HB3 SER A 75 -32.248 2.217 -11.072 1.00 0.00 H new ATOM 0 HG SER A 75 -33.903 1.136 -9.860 1.00 0.00 H new ATOM 1093 N GLY A 76 -34.334 5.510 -9.568 1.00 0.00 N ATOM 1094 CA GLY A 76 -35.323 6.181 -8.745 1.00 0.00 C ATOM 1095 C GLY A 76 -36.704 6.165 -9.369 1.00 0.00 C ATOM 1096 O GLY A 76 -36.809 6.027 -10.587 1.00 0.00 O ATOM 0 H GLY A 76 -34.412 5.695 -10.568 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -35.364 5.701 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -35.014 7.213 -8.580 1.00 0.00 H new TER 1100 GLY A 76 HETATM 1101 ZN ZN A 201 -9.242 8.831 5.958 1.00 0.00 ZN HETATM 1102 ZN ZN A 401 -13.054 11.036 -6.042 1.00 0.00 ZN