USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 793 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 MET CE :methyl -160:sc= -0.258 (180deg=-0.626) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 174:sc= -0.0581 (180deg=0) USER MOD Set 2.1: A 43 THR OG1 : rot -140:sc= 0 USER MOD Set 2.2: A 64 MET CE :methyl -120:sc= -0.253 (180deg=-3.22!) USER MOD Single : A 1 GLY N :NH3+ -172:sc= -0.0795 (180deg=-0.167) 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 4 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.17) USER MOD Single : A 5 HIS : no HD1:sc= -0.0723 X(o=-0.072,f=-0.57) USER MOD Single : A 6 HIS : no HD1:sc= -0.0612 X(o=-0.061,f=-0.35) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 8 HIS : no HD1:sc= 0.608 K(o=0.61,f=-3.3!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 61:sc= 0.104 USER MOD Single : A 18 SER OG : rot 180:sc= 0.111 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 20 MET CE :methyl -162:sc= -0.104 (180deg=-0.522) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.21) USER MOD Single : A 26 THR OG1 : rot 169:sc= 0.635 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -71:sc= 0.0885 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -0.0633 (180deg=-0.586) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 100:sc= -0.916 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.424 K(o=-0.42,f=-1.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -122:sc= -0.41 (180deg=-3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.931 13.170 14.732 1.00 0.00 N ATOM 2 CA GLY A 1 -1.471 13.366 14.516 1.00 0.00 C ATOM 3 C GLY A 1 -1.063 13.133 13.075 1.00 0.00 C ATOM 4 O GLY A 1 0.005 13.569 12.646 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.183 13.470 15.695 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.463 13.738 14.042 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.168 12.165 14.610 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.196 14.379 14.809 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.916 12.686 15.162 1.00 0.00 H new ATOM 10 N SER A 2 -1.917 12.443 12.326 1.00 0.00 N ATOM 11 CA SER A 2 -1.643 12.148 10.925 1.00 0.00 C ATOM 12 C SER A 2 -2.775 12.646 10.032 1.00 0.00 C ATOM 13 O SER A 2 -3.883 12.109 10.062 1.00 0.00 O ATOM 14 CB SER A 2 -1.448 10.643 10.729 1.00 0.00 C ATOM 15 OG SER A 2 -1.696 10.266 9.386 1.00 0.00 O ATOM 0 H SER A 2 -2.806 12.077 12.667 1.00 0.00 H new ATOM 0 HA SER A 2 -0.727 12.667 10.642 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.431 10.366 11.005 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.118 10.097 11.393 1.00 0.00 H new ATOM 0 HG SER A 2 -1.563 9.300 9.287 1.00 0.00 H new ATOM 21 N SER A 3 -2.490 13.675 9.239 1.00 0.00 N ATOM 22 CA SER A 3 -3.484 14.247 8.339 1.00 0.00 C ATOM 23 C SER A 3 -3.705 13.349 7.127 1.00 0.00 C ATOM 24 O SER A 3 -2.862 13.278 6.231 1.00 0.00 O ATOM 25 CB SER A 3 -3.048 15.641 7.882 1.00 0.00 C ATOM 26 OG SER A 3 -3.475 16.636 8.796 1.00 0.00 O ATOM 0 H SER A 3 -1.578 14.129 9.202 1.00 0.00 H new ATOM 0 HA SER A 3 -4.424 14.328 8.884 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.963 15.673 7.787 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.461 15.849 6.895 1.00 0.00 H new ATOM 0 HG SER A 3 -3.182 17.517 8.481 1.00 0.00 H new ATOM 32 N HIS A 4 -4.845 12.665 7.104 1.00 0.00 N ATOM 33 CA HIS A 4 -5.181 11.771 6.002 1.00 0.00 C ATOM 34 C HIS A 4 -6.162 12.437 5.045 1.00 0.00 C ATOM 35 O HIS A 4 -6.119 12.209 3.835 1.00 0.00 O ATOM 36 CB HIS A 4 -5.781 10.470 6.540 1.00 0.00 C ATOM 37 CG HIS A 4 -4.880 9.280 6.391 1.00 0.00 C ATOM 38 ND1 HIS A 4 -5.372 7.999 6.460 1.00 0.00 N ATOM 39 CD2 HIS A 4 -3.540 9.230 6.184 1.00 0.00 C ATOM 40 CE1 HIS A 4 -4.332 7.201 6.295 1.00 0.00 C ATOM 41 NE2 HIS A 4 -3.202 7.902 6.124 1.00 0.00 N ATOM 0 H HIS A 4 -5.552 12.713 7.837 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.265 11.543 5.457 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -6.022 10.601 7.595 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.719 10.271 6.021 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.870 10.072 6.086 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.385 6.122 6.298 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -2.268 7.520 5.977 1.00 0.00 H new ATOM 49 N HIS A 5 -7.048 13.261 5.596 1.00 0.00 N ATOM 50 CA HIS A 5 -8.041 13.965 4.795 1.00 0.00 C ATOM 51 C HIS A 5 -8.110 15.437 5.190 1.00 0.00 C ATOM 52 O HIS A 5 -7.334 15.902 6.025 1.00 0.00 O ATOM 53 CB HIS A 5 -9.418 13.317 4.965 1.00 0.00 C ATOM 54 CG HIS A 5 -9.487 11.914 4.448 1.00 0.00 C ATOM 55 ND1 HIS A 5 -9.167 10.839 5.243 1.00 0.00 N ATOM 56 CD2 HIS A 5 -9.847 11.464 3.220 1.00 0.00 C ATOM 57 CE1 HIS A 5 -9.335 9.767 4.489 1.00 0.00 C ATOM 58 NE2 HIS A 5 -9.745 10.098 3.257 1.00 0.00 N ATOM 0 H HIS A 5 -7.098 13.457 6.596 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.742 13.898 3.749 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.684 13.319 6.022 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -10.162 13.923 4.448 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -10.154 12.065 2.377 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -9.164 8.754 4.823 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -9.944 9.454 2.491 1.00 0.00 H new ATOM 66 N HIS A 6 -9.043 16.163 4.583 1.00 0.00 N ATOM 67 CA HIS A 6 -9.217 17.581 4.875 1.00 0.00 C ATOM 68 C HIS A 6 -9.801 17.779 6.270 1.00 0.00 C ATOM 69 O HIS A 6 -9.161 18.362 7.145 1.00 0.00 O ATOM 70 CB HIS A 6 -10.132 18.229 3.833 1.00 0.00 C ATOM 71 CG HIS A 6 -9.499 18.365 2.483 1.00 0.00 C ATOM 72 ND1 HIS A 6 -8.133 18.364 2.327 1.00 0.00 N ATOM 73 CD2 HIS A 6 -10.084 18.507 1.268 1.00 0.00 C ATOM 74 CE1 HIS A 6 -7.917 18.501 1.031 1.00 0.00 C ATOM 75 NE2 HIS A 6 -9.069 18.592 0.351 1.00 0.00 N ATOM 0 H HIS A 6 -9.690 15.793 3.886 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.238 18.058 4.837 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.042 17.635 3.741 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.430 19.216 4.187 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -11.144 18.546 1.063 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.938 18.535 0.577 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.171 18.703 -0.658 1.00 0.00 H new ATOM 83 N HIS A 7 -11.020 17.288 6.469 1.00 0.00 N ATOM 84 CA HIS A 7 -11.693 17.405 7.757 1.00 0.00 C ATOM 85 C HIS A 7 -11.358 16.219 8.655 1.00 0.00 C ATOM 86 O HIS A 7 -10.464 15.429 8.349 1.00 0.00 O ATOM 87 CB HIS A 7 -13.207 17.496 7.556 1.00 0.00 C ATOM 88 CG HIS A 7 -13.699 18.889 7.318 1.00 0.00 C ATOM 89 ND1 HIS A 7 -13.031 19.753 6.482 1.00 0.00 N ATOM 90 CD2 HIS A 7 -14.790 19.516 7.822 1.00 0.00 C ATOM 91 CE1 HIS A 7 -13.723 20.878 6.497 1.00 0.00 C ATOM 92 NE2 HIS A 7 -14.796 20.780 7.295 1.00 0.00 N ATOM 0 H HIS A 7 -11.562 16.805 5.753 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.342 18.315 8.243 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.491 16.870 6.710 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.707 17.089 8.435 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -15.514 19.099 8.506 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.458 21.763 5.938 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -15.486 21.509 7.475 1.00 0.00 H new ATOM 100 N HIS A 8 -12.083 16.098 9.761 1.00 0.00 N ATOM 101 CA HIS A 8 -11.867 15.006 10.704 1.00 0.00 C ATOM 102 C HIS A 8 -12.756 13.813 10.366 1.00 0.00 C ATOM 103 O HIS A 8 -13.360 13.760 9.295 1.00 0.00 O ATOM 104 CB HIS A 8 -12.145 15.475 12.134 1.00 0.00 C ATOM 105 CG HIS A 8 -13.509 16.065 12.317 1.00 0.00 C ATOM 106 ND1 HIS A 8 -13.845 17.277 11.763 1.00 0.00 N ATOM 107 CD2 HIS A 8 -14.576 15.576 12.995 1.00 0.00 C ATOM 108 CE1 HIS A 8 -15.100 17.500 12.112 1.00 0.00 C ATOM 109 NE2 HIS A 8 -15.583 16.497 12.859 1.00 0.00 N ATOM 0 H HIS A 8 -12.827 16.743 10.027 1.00 0.00 H new ATOM 0 HA HIS A 8 -10.825 14.694 10.628 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -12.030 14.630 12.813 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -11.397 16.216 12.416 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.624 14.643 13.537 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -15.664 18.377 11.832 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -16.522 16.431 13.252 1.00 0.00 H new ATOM 117 N HIS A 9 -12.833 12.860 11.290 1.00 0.00 N ATOM 118 CA HIS A 9 -13.650 11.668 11.091 1.00 0.00 C ATOM 119 C HIS A 9 -15.053 11.871 11.658 1.00 0.00 C ATOM 120 O HIS A 9 -15.418 11.275 12.671 1.00 0.00 O ATOM 121 CB HIS A 9 -12.990 10.457 11.753 1.00 0.00 C ATOM 122 CG HIS A 9 -11.965 9.788 10.890 1.00 0.00 C ATOM 123 ND1 HIS A 9 -11.018 10.514 10.208 1.00 0.00 N ATOM 124 CD2 HIS A 9 -11.783 8.470 10.631 1.00 0.00 C ATOM 125 CE1 HIS A 9 -10.285 9.631 9.555 1.00 0.00 C ATOM 126 NE2 HIS A 9 -10.712 8.380 9.781 1.00 0.00 N ATOM 0 H HIS A 9 -12.340 12.890 12.183 1.00 0.00 H new ATOM 0 HA HIS A 9 -13.733 11.487 10.019 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.519 10.774 12.684 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.760 9.732 12.016 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.369 7.650 11.019 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.449 9.884 8.920 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -10.315 7.524 9.394 1.00 0.00 H new ATOM 134 N SER A 10 -15.835 12.721 10.997 1.00 0.00 N ATOM 135 CA SER A 10 -17.198 13.002 11.432 1.00 0.00 C ATOM 136 C SER A 10 -18.128 11.843 11.090 1.00 0.00 C ATOM 137 O SER A 10 -18.688 11.200 11.979 1.00 0.00 O ATOM 138 CB SER A 10 -17.708 14.290 10.781 1.00 0.00 C ATOM 139 OG SER A 10 -19.119 14.379 10.863 1.00 0.00 O ATOM 0 H SER A 10 -15.547 13.226 10.159 1.00 0.00 H new ATOM 0 HA SER A 10 -17.189 13.129 12.515 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.257 15.152 11.272 1.00 0.00 H new ATOM 0 HB3 SER A 10 -17.399 14.320 9.736 1.00 0.00 H new ATOM 0 HG SER A 10 -19.419 15.211 10.441 1.00 0.00 H new ATOM 145 N SER A 11 -18.279 11.575 9.797 1.00 0.00 N ATOM 146 CA SER A 11 -19.139 10.493 9.335 1.00 0.00 C ATOM 147 C SER A 11 -18.389 9.162 9.314 1.00 0.00 C ATOM 148 O SER A 11 -18.703 8.277 8.517 1.00 0.00 O ATOM 149 CB SER A 11 -19.676 10.807 7.937 1.00 0.00 C ATOM 150 OG SER A 11 -18.876 11.781 7.290 1.00 0.00 O ATOM 0 H SER A 11 -17.816 12.093 9.050 1.00 0.00 H new ATOM 0 HA SER A 11 -19.973 10.406 10.032 1.00 0.00 H new ATOM 0 HB2 SER A 11 -19.699 9.896 7.340 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.703 11.166 8.011 1.00 0.00 H new ATOM 0 HG SER A 11 -17.962 11.441 7.192 1.00 0.00 H new ATOM 156 N GLY A 12 -17.395 9.025 10.191 1.00 0.00 N ATOM 157 CA GLY A 12 -16.622 7.798 10.248 1.00 0.00 C ATOM 158 C GLY A 12 -17.446 6.619 10.724 1.00 0.00 C ATOM 159 O GLY A 12 -18.192 6.726 11.698 1.00 0.00 O ATOM 0 H GLY A 12 -17.113 9.741 10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.218 7.580 9.259 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.772 7.938 10.916 1.00 0.00 H new ATOM 163 N LEU A 13 -17.314 5.490 10.034 1.00 0.00 N ATOM 164 CA LEU A 13 -18.056 4.286 10.389 1.00 0.00 C ATOM 165 C LEU A 13 -17.406 3.571 11.568 1.00 0.00 C ATOM 166 O LEU A 13 -16.232 3.204 11.516 1.00 0.00 O ATOM 167 CB LEU A 13 -18.139 3.345 9.186 1.00 0.00 C ATOM 168 CG LEU A 13 -19.299 3.623 8.229 1.00 0.00 C ATOM 169 CD1 LEU A 13 -18.986 3.086 6.841 1.00 0.00 C ATOM 170 CD2 LEU A 13 -20.587 3.014 8.762 1.00 0.00 C ATOM 0 H LEU A 13 -16.700 5.384 9.226 1.00 0.00 H new ATOM 0 HA LEU A 13 -19.063 4.582 10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -17.204 3.408 8.629 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -18.225 2.321 9.550 1.00 0.00 H new ATOM 0 HG LEU A 13 -19.435 4.702 8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -19.823 3.293 6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -18.088 3.570 6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -18.823 2.010 6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -21.402 3.222 8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -20.464 1.936 8.865 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -20.819 3.448 9.735 1.00 0.00 H new ATOM 182 N VAL A 14 -18.180 3.377 12.633 1.00 0.00 N ATOM 183 CA VAL A 14 -17.686 2.706 13.832 1.00 0.00 C ATOM 184 C VAL A 14 -17.527 1.198 13.611 1.00 0.00 C ATOM 185 O VAL A 14 -16.479 0.634 13.927 1.00 0.00 O ATOM 186 CB VAL A 14 -18.613 2.949 15.040 1.00 0.00 C ATOM 187 CG1 VAL A 14 -18.041 2.307 16.295 1.00 0.00 C ATOM 188 CG2 VAL A 14 -18.837 4.439 15.252 1.00 0.00 C ATOM 0 H VAL A 14 -19.154 3.676 12.690 1.00 0.00 H new ATOM 0 HA VAL A 14 -16.707 3.136 14.045 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.577 2.485 14.830 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.711 2.491 17.135 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.939 1.233 16.140 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -17.063 2.737 16.510 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -19.494 4.590 16.109 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -17.881 4.928 15.437 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -19.297 4.868 14.362 1.00 0.00 H new ATOM 198 N PRO A 15 -18.563 0.511 13.078 1.00 0.00 N ATOM 199 CA PRO A 15 -18.501 -0.937 12.835 1.00 0.00 C ATOM 200 C PRO A 15 -17.377 -1.313 11.876 1.00 0.00 C ATOM 201 O PRO A 15 -16.846 -0.463 11.160 1.00 0.00 O ATOM 202 CB PRO A 15 -19.865 -1.267 12.220 1.00 0.00 C ATOM 203 CG PRO A 15 -20.392 0.035 11.723 1.00 0.00 C ATOM 204 CD PRO A 15 -19.861 1.075 12.664 1.00 0.00 C ATOM 0 HA PRO A 15 -18.294 -1.491 13.751 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -19.767 -1.988 11.409 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -20.535 -1.707 12.959 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -20.062 0.226 10.702 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -21.482 0.037 11.712 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -19.744 2.042 12.174 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -20.525 1.227 13.515 1.00 0.00 H new ATOM 212 N ARG A 16 -17.018 -2.594 11.870 1.00 0.00 N ATOM 213 CA ARG A 16 -15.947 -3.089 11.011 1.00 0.00 C ATOM 214 C ARG A 16 -16.274 -2.872 9.537 1.00 0.00 C ATOM 215 O ARG A 16 -15.603 -2.101 8.852 1.00 0.00 O ATOM 216 CB ARG A 16 -15.704 -4.577 11.274 1.00 0.00 C ATOM 217 CG ARG A 16 -15.457 -4.902 12.738 1.00 0.00 C ATOM 218 CD ARG A 16 -14.682 -6.199 12.896 1.00 0.00 C ATOM 219 NE ARG A 16 -14.043 -6.298 14.205 1.00 0.00 N ATOM 220 CZ ARG A 16 -12.731 -6.432 14.378 1.00 0.00 C ATOM 221 NH1 ARG A 16 -11.922 -6.482 13.328 1.00 0.00 N ATOM 222 NH2 ARG A 16 -12.227 -6.514 15.602 1.00 0.00 N ATOM 0 H ARG A 16 -17.454 -3.309 12.452 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.043 -2.527 11.247 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.566 -5.145 10.924 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -14.846 -4.906 10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.904 -4.087 13.205 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -16.410 -4.980 13.261 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -15.357 -7.044 12.757 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.923 -6.265 12.116 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.636 -6.262 15.034 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.306 -6.418 12.385 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.916 -6.585 13.464 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.846 -6.474 16.412 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.221 -6.617 15.733 1.00 0.00 H new ATOM 236 N GLY A 17 -17.302 -3.567 9.055 1.00 0.00 N ATOM 237 CA GLY A 17 -17.693 -3.445 7.661 1.00 0.00 C ATOM 238 C GLY A 17 -18.035 -2.019 7.272 1.00 0.00 C ATOM 239 O GLY A 17 -19.160 -1.565 7.480 1.00 0.00 O ATOM 0 H GLY A 17 -17.870 -4.212 9.605 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.883 -3.806 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -18.554 -4.085 7.472 1.00 0.00 H new ATOM 243 N SER A 18 -17.062 -1.316 6.703 1.00 0.00 N ATOM 244 CA SER A 18 -17.260 0.067 6.284 1.00 0.00 C ATOM 245 C SER A 18 -17.969 0.135 4.934 1.00 0.00 C ATOM 246 O SER A 18 -19.174 0.376 4.868 1.00 0.00 O ATOM 247 CB SER A 18 -15.917 0.795 6.206 1.00 0.00 C ATOM 248 OG SER A 18 -14.843 -0.121 6.096 1.00 0.00 O ATOM 0 H SER A 18 -16.127 -1.681 6.521 1.00 0.00 H new ATOM 0 HA SER A 18 -17.889 0.557 7.027 1.00 0.00 H new ATOM 0 HB2 SER A 18 -15.914 1.467 5.348 1.00 0.00 H new ATOM 0 HB3 SER A 18 -15.783 1.412 7.095 1.00 0.00 H new ATOM 0 HG SER A 18 -13.997 0.371 6.046 1.00 0.00 H new ATOM 254 N HIS A 19 -17.214 -0.079 3.859 1.00 0.00 N ATOM 255 CA HIS A 19 -17.772 -0.038 2.510 1.00 0.00 C ATOM 256 C HIS A 19 -17.356 -1.267 1.704 1.00 0.00 C ATOM 257 O HIS A 19 -18.053 -2.282 1.705 1.00 0.00 O ATOM 258 CB HIS A 19 -17.327 1.239 1.792 1.00 0.00 C ATOM 259 CG HIS A 19 -18.460 2.141 1.416 1.00 0.00 C ATOM 260 ND1 HIS A 19 -19.409 1.755 0.499 1.00 0.00 N ATOM 261 CD2 HIS A 19 -18.751 3.390 1.856 1.00 0.00 C ATOM 262 CE1 HIS A 19 -20.250 2.770 0.400 1.00 0.00 C ATOM 263 NE2 HIS A 19 -19.891 3.780 1.204 1.00 0.00 N ATOM 0 H HIS A 19 -16.215 -0.282 3.896 1.00 0.00 H new ATOM 0 HA HIS A 19 -18.859 -0.040 2.594 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -16.637 1.785 2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -16.776 0.966 0.892 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -18.193 3.965 2.580 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -21.115 2.783 -0.246 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -20.375 4.671 1.311 1.00 0.00 H new ATOM 271 N MET A 20 -16.218 -1.171 1.018 1.00 0.00 N ATOM 272 CA MET A 20 -15.718 -2.275 0.206 1.00 0.00 C ATOM 273 C MET A 20 -15.253 -3.437 1.081 1.00 0.00 C ATOM 274 O MET A 20 -15.672 -3.567 2.232 1.00 0.00 O ATOM 275 CB MET A 20 -14.568 -1.796 -0.684 1.00 0.00 C ATOM 276 CG MET A 20 -14.995 -0.799 -1.748 1.00 0.00 C ATOM 277 SD MET A 20 -13.626 -0.264 -2.792 1.00 0.00 S ATOM 278 CE MET A 20 -12.605 0.597 -1.597 1.00 0.00 C ATOM 0 H MET A 20 -15.627 -0.340 1.009 1.00 0.00 H new ATOM 0 HA MET A 20 -16.535 -2.629 -0.423 1.00 0.00 H new ATOM 0 HB2 MET A 20 -13.801 -1.340 -0.058 1.00 0.00 H new ATOM 0 HB3 MET A 20 -14.112 -2.659 -1.169 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.768 -1.249 -2.372 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.441 0.071 -1.266 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.903 1.247 -2.119 1.00 0.00 H new ATOM 0 HE2 MET A 20 -13.238 1.197 -0.943 1.00 0.00 H new ATOM 0 HE3 MET A 20 -12.052 -0.129 -1.001 1.00 0.00 H new ATOM 288 N ALA A 21 -14.385 -4.280 0.526 1.00 0.00 N ATOM 289 CA ALA A 21 -13.867 -5.438 1.249 1.00 0.00 C ATOM 290 C ALA A 21 -13.084 -5.015 2.489 1.00 0.00 C ATOM 291 O ALA A 21 -13.008 -3.831 2.816 1.00 0.00 O ATOM 292 CB ALA A 21 -12.993 -6.282 0.334 1.00 0.00 C ATOM 0 H ALA A 21 -14.025 -4.182 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.717 -6.036 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.613 -7.142 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.582 -6.627 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.156 -5.683 -0.024 1.00 0.00 H new ATOM 298 N LYS A 22 -12.503 -5.995 3.175 1.00 0.00 N ATOM 299 CA LYS A 22 -11.730 -5.730 4.383 1.00 0.00 C ATOM 300 C LYS A 22 -10.264 -5.475 4.053 1.00 0.00 C ATOM 301 O LYS A 22 -9.375 -6.179 4.536 1.00 0.00 O ATOM 302 CB LYS A 22 -11.851 -6.907 5.353 1.00 0.00 C ATOM 303 CG LYS A 22 -13.281 -7.372 5.574 1.00 0.00 C ATOM 304 CD LYS A 22 -13.377 -8.346 6.738 1.00 0.00 C ATOM 305 CE LYS A 22 -14.384 -9.450 6.458 1.00 0.00 C ATOM 306 NZ LYS A 22 -14.677 -10.258 7.674 1.00 0.00 N ATOM 0 H LYS A 22 -12.553 -6.980 2.914 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.134 -4.833 4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.262 -7.741 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.419 -6.622 6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.919 -6.510 5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.654 -7.849 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.398 -8.785 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.666 -7.808 7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.308 -9.011 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.999 -10.102 5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.368 -10.999 7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.800 -10.698 8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.068 -9.641 8.414 1.00 0.00 H new ATOM 320 N TYR A 23 -10.014 -4.460 3.232 1.00 0.00 N ATOM 321 CA TYR A 23 -8.653 -4.108 2.842 1.00 0.00 C ATOM 322 C TYR A 23 -8.165 -2.887 3.616 1.00 0.00 C ATOM 323 O TYR A 23 -8.114 -1.778 3.080 1.00 0.00 O ATOM 324 CB TYR A 23 -8.584 -3.839 1.337 1.00 0.00 C ATOM 325 CG TYR A 23 -8.382 -5.086 0.506 1.00 0.00 C ATOM 326 CD1 TYR A 23 -7.255 -5.882 0.674 1.00 0.00 C ATOM 327 CD2 TYR A 23 -9.319 -5.468 -0.445 1.00 0.00 C ATOM 328 CE1 TYR A 23 -7.069 -7.023 -0.083 1.00 0.00 C ATOM 329 CE2 TYR A 23 -9.139 -6.608 -1.206 1.00 0.00 C ATOM 330 CZ TYR A 23 -8.012 -7.381 -1.021 1.00 0.00 C ATOM 331 OH TYR A 23 -7.829 -8.517 -1.778 1.00 0.00 O ATOM 0 H TYR A 23 -10.736 -3.867 2.824 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.003 -4.949 3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -9.505 -3.348 1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.768 -3.144 1.138 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.513 -5.604 1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.203 -4.865 -0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.188 -7.631 0.060 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.877 -6.892 -1.942 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.586 -8.627 -2.391 1.00 0.00 H new ATOM 341 N GLN A 24 -7.813 -3.098 4.881 1.00 0.00 N ATOM 342 CA GLN A 24 -7.332 -2.016 5.734 1.00 0.00 C ATOM 343 C GLN A 24 -5.809 -1.956 5.732 1.00 0.00 C ATOM 344 O GLN A 24 -5.137 -2.987 5.791 1.00 0.00 O ATOM 345 CB GLN A 24 -7.843 -2.202 7.164 1.00 0.00 C ATOM 346 CG GLN A 24 -9.204 -1.574 7.411 1.00 0.00 C ATOM 347 CD GLN A 24 -10.174 -2.529 8.077 1.00 0.00 C ATOM 348 OE1 GLN A 24 -9.804 -3.278 8.981 1.00 0.00 O ATOM 349 NE2 GLN A 24 -11.425 -2.506 7.633 1.00 0.00 N ATOM 0 H GLN A 24 -7.852 -4.009 5.338 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.715 -1.076 5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.899 -3.268 7.385 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.122 -1.770 7.858 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.084 -0.689 8.036 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.623 -1.239 6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.688 -1.869 6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.123 -3.126 8.044 1.00 0.00 H new ATOM 358 N VAL A 25 -5.269 -0.744 5.668 1.00 0.00 N ATOM 359 CA VAL A 25 -3.824 -0.549 5.669 1.00 0.00 C ATOM 360 C VAL A 25 -3.240 -0.816 7.054 1.00 0.00 C ATOM 361 O VAL A 25 -3.736 -0.302 8.057 1.00 0.00 O ATOM 362 CB VAL A 25 -3.447 0.870 5.219 1.00 0.00 C ATOM 363 CG1 VAL A 25 -1.942 1.085 5.306 1.00 0.00 C ATOM 364 CG2 VAL A 25 -3.951 1.136 3.809 1.00 0.00 C ATOM 0 H VAL A 25 -5.811 0.119 5.615 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.404 -1.261 4.959 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.927 1.580 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.700 2.097 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.613 0.945 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.434 0.367 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.674 2.146 3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.505 0.418 3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.036 1.035 3.785 1.00 0.00 H new ATOM 374 N THR A 26 -2.184 -1.623 7.100 1.00 0.00 N ATOM 375 CA THR A 26 -1.539 -1.967 8.362 1.00 0.00 C ATOM 376 C THR A 26 -0.286 -1.127 8.586 1.00 0.00 C ATOM 377 O THR A 26 -0.160 -0.445 9.602 1.00 0.00 O ATOM 378 CB THR A 26 -1.177 -3.453 8.384 1.00 0.00 C ATOM 379 OG1 THR A 26 -1.692 -4.112 7.240 1.00 0.00 O ATOM 380 CG2 THR A 26 -1.698 -4.178 9.606 1.00 0.00 C ATOM 0 H THR A 26 -1.757 -2.050 6.278 1.00 0.00 H new ATOM 0 HA THR A 26 -2.243 -1.756 9.167 1.00 0.00 H new ATOM 0 HB THR A 26 -0.088 -3.485 8.400 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.310 -5.013 7.182 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.406 -5.227 9.559 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.279 -3.725 10.504 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.785 -4.105 9.637 1.00 0.00 H new ATOM 388 N LYS A 27 0.641 -1.186 7.635 1.00 0.00 N ATOM 389 CA LYS A 27 1.886 -0.435 7.737 1.00 0.00 C ATOM 390 C LYS A 27 1.961 0.650 6.669 1.00 0.00 C ATOM 391 O LYS A 27 1.572 0.432 5.521 1.00 0.00 O ATOM 392 CB LYS A 27 3.083 -1.377 7.610 1.00 0.00 C ATOM 393 CG LYS A 27 4.210 -1.066 8.579 1.00 0.00 C ATOM 394 CD LYS A 27 5.550 -0.987 7.867 1.00 0.00 C ATOM 395 CE LYS A 27 6.329 -2.284 8.001 1.00 0.00 C ATOM 396 NZ LYS A 27 7.688 -2.061 8.566 1.00 0.00 N ATOM 0 H LYS A 27 0.553 -1.745 6.787 1.00 0.00 H new ATOM 0 HA LYS A 27 1.911 0.046 8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.747 -2.401 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.467 -1.327 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.008 -0.121 9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.251 -1.835 9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.390 -0.765 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.135 -0.166 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.779 -2.973 8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.416 -2.758 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.186 -2.971 8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.223 -1.424 7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.605 -1.633 9.510 1.00 0.00 H new ATOM 410 N THR A 28 2.462 1.818 7.054 1.00 0.00 N ATOM 411 CA THR A 28 2.592 2.937 6.129 1.00 0.00 C ATOM 412 C THR A 28 3.966 3.585 6.253 1.00 0.00 C ATOM 413 O THR A 28 4.321 4.111 7.308 1.00 0.00 O ATOM 414 CB THR A 28 1.500 3.974 6.397 1.00 0.00 C ATOM 415 OG1 THR A 28 0.227 3.357 6.459 1.00 0.00 O ATOM 416 CG2 THR A 28 1.435 5.060 5.344 1.00 0.00 C ATOM 0 H THR A 28 2.785 2.015 8.001 1.00 0.00 H new ATOM 0 HA THR A 28 2.480 2.555 5.114 1.00 0.00 H new ATOM 0 HB THR A 28 1.763 4.431 7.351 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.458 4.036 6.633 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.640 5.762 5.594 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.388 5.588 5.307 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.231 4.612 4.372 1.00 0.00 H new ATOM 424 N LEU A 29 4.736 3.542 5.170 1.00 0.00 N ATOM 425 CA LEU A 29 6.072 4.123 5.161 1.00 0.00 C ATOM 426 C LEU A 29 6.120 5.371 4.287 1.00 0.00 C ATOM 427 O LEU A 29 5.933 5.297 3.074 1.00 0.00 O ATOM 428 CB LEU A 29 7.093 3.102 4.665 1.00 0.00 C ATOM 429 CG LEU A 29 8.550 3.504 4.880 1.00 0.00 C ATOM 430 CD1 LEU A 29 8.981 3.200 6.305 1.00 0.00 C ATOM 431 CD2 LEU A 29 9.453 2.796 3.881 1.00 0.00 C ATOM 0 H LEU A 29 4.457 3.111 4.289 1.00 0.00 H new ATOM 0 HA LEU A 29 6.320 4.408 6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.913 2.153 5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.930 2.932 3.601 1.00 0.00 H new ATOM 0 HG LEU A 29 8.639 4.578 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.022 3.493 6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.354 3.757 7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.877 2.132 6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.487 3.095 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.362 1.717 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.158 3.068 2.868 1.00 0.00 H new ATOM 443 N ASP A 30 6.377 6.514 4.914 1.00 0.00 N ATOM 444 CA ASP A 30 6.456 7.782 4.195 1.00 0.00 C ATOM 445 C ASP A 30 7.697 8.563 4.614 1.00 0.00 C ATOM 446 O ASP A 30 7.730 9.160 5.690 1.00 0.00 O ATOM 447 CB ASP A 30 5.202 8.620 4.448 1.00 0.00 C ATOM 448 CG ASP A 30 4.346 8.066 5.571 1.00 0.00 C ATOM 449 OD1 ASP A 30 4.832 8.022 6.721 1.00 0.00 O ATOM 450 OD2 ASP A 30 3.191 7.677 5.301 1.00 0.00 O ATOM 0 H ASP A 30 6.534 6.589 5.919 1.00 0.00 H new ATOM 0 HA ASP A 30 6.525 7.563 3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.495 9.642 4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.610 8.666 3.534 1.00 0.00 H new ATOM 455 N VAL A 31 8.724 8.530 3.772 1.00 0.00 N ATOM 456 CA VAL A 31 9.969 9.233 4.063 1.00 0.00 C ATOM 457 C VAL A 31 10.550 9.876 2.800 1.00 0.00 C ATOM 458 O VAL A 31 11.529 9.393 2.228 1.00 0.00 O ATOM 459 CB VAL A 31 11.007 8.292 4.710 1.00 0.00 C ATOM 460 CG1 VAL A 31 11.303 7.098 3.812 1.00 0.00 C ATOM 461 CG2 VAL A 31 12.277 9.055 5.049 1.00 0.00 C ATOM 0 H VAL A 31 8.720 8.026 2.885 1.00 0.00 H new ATOM 0 HA VAL A 31 9.735 10.024 4.775 1.00 0.00 H new ATOM 0 HB VAL A 31 10.585 7.905 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.038 6.453 4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.385 6.536 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.699 7.449 2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 31 12.998 8.377 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.701 9.478 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.043 9.858 5.748 1.00 0.00 H new ATOM 471 N ARG A 32 9.938 10.976 2.373 1.00 0.00 N ATOM 472 CA ARG A 32 10.389 11.692 1.185 1.00 0.00 C ATOM 473 C ARG A 32 11.866 12.058 1.295 1.00 0.00 C ATOM 474 O ARG A 32 12.738 11.311 0.850 1.00 0.00 O ATOM 475 CB ARG A 32 9.549 12.953 0.974 1.00 0.00 C ATOM 476 CG ARG A 32 8.165 12.674 0.408 1.00 0.00 C ATOM 477 CD ARG A 32 7.128 13.625 0.979 1.00 0.00 C ATOM 478 NE ARG A 32 6.668 14.594 -0.013 1.00 0.00 N ATOM 479 CZ ARG A 32 6.628 15.906 0.199 1.00 0.00 C ATOM 480 NH1 ARG A 32 7.018 16.407 1.364 1.00 0.00 N ATOM 481 NH2 ARG A 32 6.197 16.719 -0.756 1.00 0.00 N ATOM 0 H ARG A 32 9.128 11.391 2.833 1.00 0.00 H new ATOM 0 HA ARG A 32 10.263 11.034 0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.445 13.474 1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.080 13.625 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.189 12.769 -0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.880 11.646 0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.277 13.053 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.552 14.154 1.833 1.00 0.00 H new ATOM 0 HE ARG A 32 6.360 14.244 -0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.350 15.785 2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.986 17.414 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.896 16.338 -1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.166 17.726 -0.593 1.00 0.00 H new ATOM 495 N GLY A 33 12.136 13.210 1.893 1.00 0.00 N ATOM 496 CA GLY A 33 13.506 13.657 2.062 1.00 0.00 C ATOM 497 C GLY A 33 14.259 12.833 3.087 1.00 0.00 C ATOM 498 O GLY A 33 14.129 13.056 4.290 1.00 0.00 O ATOM 0 H GLY A 33 11.430 13.845 2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.024 13.603 1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.509 14.703 2.367 1.00 0.00 H new ATOM 502 N GLU A 34 15.046 11.874 2.608 1.00 0.00 N ATOM 503 CA GLU A 34 15.815 11.005 3.490 1.00 0.00 C ATOM 504 C GLU A 34 17.242 11.516 3.659 1.00 0.00 C ATOM 505 O GLU A 34 17.720 12.331 2.868 1.00 0.00 O ATOM 506 CB GLU A 34 15.832 9.575 2.942 1.00 0.00 C ATOM 507 CG GLU A 34 16.819 9.368 1.802 1.00 0.00 C ATOM 508 CD GLU A 34 16.914 7.918 1.369 1.00 0.00 C ATOM 509 OE1 GLU A 34 15.894 7.370 0.898 1.00 0.00 O ATOM 510 OE2 GLU A 34 18.007 7.329 1.502 1.00 0.00 O ATOM 0 H GLU A 34 15.167 11.680 1.614 1.00 0.00 H new ATOM 0 HA GLU A 34 15.334 11.008 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 34 16.077 8.888 3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.831 9.316 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.518 9.979 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.804 9.716 2.112 1.00 0.00 H new ATOM 517 N VAL A 35 17.920 11.026 4.691 1.00 0.00 N ATOM 518 CA VAL A 35 19.298 11.421 4.963 1.00 0.00 C ATOM 519 C VAL A 35 20.162 10.205 5.276 1.00 0.00 C ATOM 520 O VAL A 35 20.731 9.586 4.377 1.00 0.00 O ATOM 521 CB VAL A 35 19.392 12.431 6.119 1.00 0.00 C ATOM 522 CG1 VAL A 35 20.003 13.737 5.635 1.00 0.00 C ATOM 523 CG2 VAL A 35 18.026 12.672 6.734 1.00 0.00 C ATOM 0 H VAL A 35 17.537 10.353 5.355 1.00 0.00 H new ATOM 0 HA VAL A 35 19.669 11.904 4.059 1.00 0.00 H new ATOM 0 HB VAL A 35 20.040 12.013 6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.062 14.441 6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 35 21.004 13.549 5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.381 14.159 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.116 13.389 7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 35 17.350 13.067 5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 35 17.630 11.733 7.119 1.00 0.00 H new ATOM 533 N CYS A 36 20.244 9.867 6.553 1.00 0.00 N ATOM 534 CA CYS A 36 21.023 8.717 6.997 1.00 0.00 C ATOM 535 C CYS A 36 20.458 7.424 6.410 1.00 0.00 C ATOM 536 O CYS A 36 19.289 7.371 6.030 1.00 0.00 O ATOM 537 CB CYS A 36 21.026 8.641 8.526 1.00 0.00 C ATOM 538 SG CYS A 36 19.466 9.138 9.293 1.00 0.00 S ATOM 0 H CYS A 36 19.779 10.374 7.306 1.00 0.00 H new ATOM 0 HA CYS A 36 22.047 8.839 6.645 1.00 0.00 H new ATOM 0 HB2 CYS A 36 21.258 7.620 8.828 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.825 9.276 8.909 1.00 0.00 H new ATOM 0 HG CYS A 36 19.313 10.423 9.172 1.00 0.00 H new ATOM 544 N PRO A 37 21.278 6.357 6.332 1.00 0.00 N ATOM 545 CA PRO A 37 20.854 5.069 5.777 1.00 0.00 C ATOM 546 C PRO A 37 19.952 4.286 6.731 1.00 0.00 C ATOM 547 O PRO A 37 19.701 3.098 6.526 1.00 0.00 O ATOM 548 CB PRO A 37 22.173 4.309 5.554 1.00 0.00 C ATOM 549 CG PRO A 37 23.266 5.294 5.820 1.00 0.00 C ATOM 550 CD PRO A 37 22.687 6.325 6.741 1.00 0.00 C ATOM 0 HA PRO A 37 20.265 5.203 4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 37 22.248 3.453 6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 37 22.234 3.924 4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 37 24.127 4.806 6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 37 23.612 5.751 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 37 22.800 6.044 7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 37 23.168 7.295 6.618 1.00 0.00 H new ATOM 558 N VAL A 38 19.467 4.957 7.774 1.00 0.00 N ATOM 559 CA VAL A 38 18.601 4.315 8.759 1.00 0.00 C ATOM 560 C VAL A 38 17.298 3.816 8.123 1.00 0.00 C ATOM 561 O VAL A 38 16.953 2.642 8.260 1.00 0.00 O ATOM 562 CB VAL A 38 18.274 5.259 9.934 1.00 0.00 C ATOM 563 CG1 VAL A 38 17.441 4.541 10.985 1.00 0.00 C ATOM 564 CG2 VAL A 38 19.552 5.813 10.544 1.00 0.00 C ATOM 0 H VAL A 38 19.659 5.942 7.958 1.00 0.00 H new ATOM 0 HA VAL A 38 19.154 3.459 9.145 1.00 0.00 H new ATOM 0 HB VAL A 38 17.688 6.094 9.551 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.222 5.225 11.805 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.508 4.199 10.538 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.996 3.684 11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.302 6.477 11.372 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.166 4.991 10.911 1.00 0.00 H new ATOM 0 HG23 VAL A 38 20.105 6.369 9.787 1.00 0.00 H new ATOM 574 N PRO A 39 16.549 4.692 7.416 1.00 0.00 N ATOM 575 CA PRO A 39 15.293 4.298 6.764 1.00 0.00 C ATOM 576 C PRO A 39 15.510 3.227 5.701 1.00 0.00 C ATOM 577 O PRO A 39 14.598 2.467 5.374 1.00 0.00 O ATOM 578 CB PRO A 39 14.789 5.595 6.122 1.00 0.00 C ATOM 579 CG PRO A 39 15.997 6.456 6.001 1.00 0.00 C ATOM 580 CD PRO A 39 16.859 6.113 7.180 1.00 0.00 C ATOM 0 HA PRO A 39 14.588 3.864 7.473 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.340 5.405 5.147 1.00 0.00 H new ATOM 0 HB3 PRO A 39 14.025 6.070 6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.521 6.266 5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.727 7.512 6.007 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.917 6.265 6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.619 6.728 8.048 1.00 0.00 H new ATOM 588 N ASP A 40 16.728 3.170 5.168 1.00 0.00 N ATOM 589 CA ASP A 40 17.072 2.182 4.152 1.00 0.00 C ATOM 590 C ASP A 40 16.943 0.771 4.713 1.00 0.00 C ATOM 591 O ASP A 40 16.352 -0.106 4.085 1.00 0.00 O ATOM 592 CB ASP A 40 18.497 2.413 3.645 1.00 0.00 C ATOM 593 CG ASP A 40 18.528 2.924 2.218 1.00 0.00 C ATOM 594 OD1 ASP A 40 17.802 2.363 1.370 1.00 0.00 O ATOM 595 OD2 ASP A 40 19.280 3.884 1.947 1.00 0.00 O ATOM 0 H ASP A 40 17.492 3.796 5.423 1.00 0.00 H new ATOM 0 HA ASP A 40 16.378 2.293 3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.999 3.129 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.057 1.480 3.706 1.00 0.00 H new ATOM 600 N VAL A 41 17.492 0.565 5.905 1.00 0.00 N ATOM 601 CA VAL A 41 17.427 -0.737 6.561 1.00 0.00 C ATOM 602 C VAL A 41 16.002 -1.043 7.012 1.00 0.00 C ATOM 603 O VAL A 41 15.619 -2.206 7.147 1.00 0.00 O ATOM 604 CB VAL A 41 18.368 -0.804 7.780 1.00 0.00 C ATOM 605 CG1 VAL A 41 18.572 -2.246 8.217 1.00 0.00 C ATOM 606 CG2 VAL A 41 19.701 -0.141 7.466 1.00 0.00 C ATOM 0 H VAL A 41 17.987 1.281 6.437 1.00 0.00 H new ATOM 0 HA VAL A 41 17.747 -1.480 5.831 1.00 0.00 H new ATOM 0 HB VAL A 41 17.904 -0.260 8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 41 19.239 -2.274 9.079 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.611 -2.684 8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.012 -2.815 7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 41 20.351 -0.199 8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 41 20.173 -0.653 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 41 19.535 0.904 7.206 1.00 0.00 H new ATOM 616 N GLU A 42 15.220 0.009 7.235 1.00 0.00 N ATOM 617 CA GLU A 42 13.835 -0.141 7.667 1.00 0.00 C ATOM 618 C GLU A 42 13.003 -0.833 6.591 1.00 0.00 C ATOM 619 O GLU A 42 12.369 -1.858 6.847 1.00 0.00 O ATOM 620 CB GLU A 42 13.233 1.225 8.000 1.00 0.00 C ATOM 621 CG GLU A 42 11.790 1.157 8.474 1.00 0.00 C ATOM 622 CD GLU A 42 11.436 2.281 9.429 1.00 0.00 C ATOM 623 OE1 GLU A 42 11.818 2.195 10.615 1.00 0.00 O ATOM 624 OE2 GLU A 42 10.775 3.245 8.991 1.00 0.00 O ATOM 0 H GLU A 42 15.523 0.977 7.123 1.00 0.00 H new ATOM 0 HA GLU A 42 13.823 -0.761 8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.838 1.700 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.286 1.861 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.126 1.196 7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.618 0.200 8.966 1.00 0.00 H new ATOM 631 N THR A 43 13.012 -0.270 5.385 1.00 0.00 N ATOM 632 CA THR A 43 12.261 -0.840 4.273 1.00 0.00 C ATOM 633 C THR A 43 12.776 -2.233 3.934 1.00 0.00 C ATOM 634 O THR A 43 12.036 -3.069 3.414 1.00 0.00 O ATOM 635 CB THR A 43 12.348 0.068 3.045 1.00 0.00 C ATOM 636 OG1 THR A 43 11.415 -0.337 2.057 1.00 0.00 O ATOM 637 CG2 THR A 43 13.718 0.090 2.402 1.00 0.00 C ATOM 0 H THR A 43 13.530 0.578 5.155 1.00 0.00 H new ATOM 0 HA THR A 43 11.217 -0.920 4.574 1.00 0.00 H new ATOM 0 HB THR A 43 12.128 1.070 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.825 -0.264 1.170 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.704 0.755 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.453 0.448 3.123 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.985 -0.917 2.081 1.00 0.00 H new ATOM 645 N LYS A 44 14.046 -2.479 4.240 1.00 0.00 N ATOM 646 CA LYS A 44 14.654 -3.779 3.988 1.00 0.00 C ATOM 647 C LYS A 44 13.893 -4.871 4.728 1.00 0.00 C ATOM 648 O LYS A 44 13.611 -5.932 4.172 1.00 0.00 O ATOM 649 CB LYS A 44 16.122 -3.778 4.422 1.00 0.00 C ATOM 650 CG LYS A 44 17.050 -3.107 3.424 1.00 0.00 C ATOM 651 CD LYS A 44 17.749 -4.126 2.539 1.00 0.00 C ATOM 652 CE LYS A 44 19.215 -4.273 2.909 1.00 0.00 C ATOM 653 NZ LYS A 44 20.032 -4.753 1.760 1.00 0.00 N ATOM 0 H LYS A 44 14.673 -1.795 4.663 1.00 0.00 H new ATOM 0 HA LYS A 44 14.606 -3.979 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.208 -3.271 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.448 -4.807 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.480 -2.416 2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.794 -2.516 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.251 -5.091 2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.665 -3.822 1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.601 -3.313 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.311 -4.972 3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 21.026 -4.840 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.680 -5.681 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.961 -4.074 0.976 1.00 0.00 H new ATOM 667 N ARG A 45 13.543 -4.593 5.981 1.00 0.00 N ATOM 668 CA ARG A 45 12.792 -5.542 6.790 1.00 0.00 C ATOM 669 C ARG A 45 11.402 -5.764 6.212 1.00 0.00 C ATOM 670 O ARG A 45 10.902 -6.886 6.202 1.00 0.00 O ATOM 671 CB ARG A 45 12.687 -5.056 8.227 1.00 0.00 C ATOM 672 CG ARG A 45 12.129 -6.112 9.161 1.00 0.00 C ATOM 673 CD ARG A 45 13.232 -6.955 9.778 1.00 0.00 C ATOM 674 NE ARG A 45 13.498 -6.580 11.163 1.00 0.00 N ATOM 675 CZ ARG A 45 14.710 -6.297 11.632 1.00 0.00 C ATOM 676 NH1 ARG A 45 15.766 -6.351 10.830 1.00 0.00 N ATOM 677 NH2 ARG A 45 14.869 -5.963 12.905 1.00 0.00 N ATOM 0 H ARG A 45 13.768 -3.719 6.456 1.00 0.00 H new ATOM 0 HA ARG A 45 13.328 -6.491 6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.674 -4.752 8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.050 -4.172 8.262 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.553 -5.631 9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.442 -6.756 8.613 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.951 -8.007 9.735 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.144 -6.845 9.191 1.00 0.00 H new ATOM 0 HE ARG A 45 12.709 -6.532 11.808 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.650 -6.610 9.850 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.694 -6.133 11.193 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.061 -5.923 13.526 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.799 -5.746 13.263 1.00 0.00 H new ATOM 691 N ALA A 46 10.781 -4.692 5.730 1.00 0.00 N ATOM 692 CA ALA A 46 9.453 -4.791 5.137 1.00 0.00 C ATOM 693 C ALA A 46 9.458 -5.780 3.978 1.00 0.00 C ATOM 694 O ALA A 46 8.459 -6.448 3.711 1.00 0.00 O ATOM 695 CB ALA A 46 8.975 -3.425 4.670 1.00 0.00 C ATOM 0 H ALA A 46 11.173 -3.751 5.738 1.00 0.00 H new ATOM 0 HA ALA A 46 8.763 -5.156 5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.982 -3.518 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.933 -2.744 5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.667 -3.033 3.925 1.00 0.00 H new ATOM 701 N LEU A 47 10.595 -5.868 3.297 1.00 0.00 N ATOM 702 CA LEU A 47 10.753 -6.772 2.164 1.00 0.00 C ATOM 703 C LEU A 47 10.963 -8.212 2.623 1.00 0.00 C ATOM 704 O LEU A 47 10.299 -9.130 2.144 1.00 0.00 O ATOM 705 CB LEU A 47 11.938 -6.335 1.303 1.00 0.00 C ATOM 706 CG LEU A 47 11.643 -5.264 0.248 1.00 0.00 C ATOM 707 CD1 LEU A 47 10.665 -4.222 0.773 1.00 0.00 C ATOM 708 CD2 LEU A 47 12.936 -4.601 -0.202 1.00 0.00 C ATOM 0 H LEU A 47 11.427 -5.319 3.512 1.00 0.00 H new ATOM 0 HA LEU A 47 9.836 -6.729 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.722 -5.962 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.338 -7.214 0.798 1.00 0.00 H new ATOM 0 HG LEU A 47 11.178 -5.753 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.477 -3.477 -0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.727 -4.707 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.089 -3.735 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.714 -3.842 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.423 -4.134 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.599 -5.352 -0.631 1.00 0.00 H new ATOM 720 N GLN A 48 11.924 -8.405 3.521 1.00 0.00 N ATOM 721 CA GLN A 48 12.270 -9.738 4.003 1.00 0.00 C ATOM 722 C GLN A 48 11.324 -10.218 5.098 1.00 0.00 C ATOM 723 O GLN A 48 11.444 -11.347 5.576 1.00 0.00 O ATOM 724 CB GLN A 48 13.707 -9.749 4.519 1.00 0.00 C ATOM 725 CG GLN A 48 14.694 -10.339 3.530 1.00 0.00 C ATOM 726 CD GLN A 48 16.132 -9.987 3.857 1.00 0.00 C ATOM 727 OE1 GLN A 48 16.601 -10.216 4.971 1.00 0.00 O ATOM 728 NE2 GLN A 48 16.840 -9.428 2.883 1.00 0.00 N ATOM 0 H GLN A 48 12.478 -7.653 3.931 1.00 0.00 H new ATOM 0 HA GLN A 48 12.173 -10.424 3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.008 -8.729 4.758 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.748 -10.319 5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.584 -11.423 3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.456 -9.982 2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.410 -9.256 1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.814 -9.170 3.044 1.00 0.00 H new ATOM 737 N ASN A 49 10.392 -9.366 5.501 1.00 0.00 N ATOM 738 CA ASN A 49 9.440 -9.726 6.544 1.00 0.00 C ATOM 739 C ASN A 49 8.023 -9.312 6.155 1.00 0.00 C ATOM 740 O ASN A 49 7.460 -8.377 6.725 1.00 0.00 O ATOM 741 CB ASN A 49 9.831 -9.077 7.875 1.00 0.00 C ATOM 742 CG ASN A 49 9.288 -9.836 9.070 1.00 0.00 C ATOM 743 OD1 ASN A 49 8.104 -10.172 9.120 1.00 0.00 O ATOM 744 ND2 ASN A 49 10.153 -10.113 10.039 1.00 0.00 N ATOM 0 H ASN A 49 10.274 -8.425 5.124 1.00 0.00 H new ATOM 0 HA ASN A 49 9.463 -10.809 6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.917 -9.024 7.945 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.460 -8.053 7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.845 -10.624 10.867 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.125 -9.815 9.956 1.00 0.00 H new ATOM 751 N MET A 50 7.454 -10.017 5.182 1.00 0.00 N ATOM 752 CA MET A 50 6.104 -9.723 4.714 1.00 0.00 C ATOM 753 C MET A 50 5.117 -10.781 5.193 1.00 0.00 C ATOM 754 O MET A 50 5.405 -11.977 5.153 1.00 0.00 O ATOM 755 CB MET A 50 6.071 -9.647 3.186 1.00 0.00 C ATOM 756 CG MET A 50 7.281 -8.962 2.579 1.00 0.00 C ATOM 757 SD MET A 50 7.534 -9.397 0.848 1.00 0.00 S ATOM 758 CE MET A 50 8.027 -11.113 0.997 1.00 0.00 C ATOM 0 H MET A 50 7.906 -10.795 4.703 1.00 0.00 H new ATOM 0 HA MET A 50 5.812 -8.758 5.128 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.997 -10.657 2.783 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.171 -9.114 2.878 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.162 -7.882 2.664 1.00 0.00 H new ATOM 0 HG3 MET A 50 8.170 -9.231 3.150 1.00 0.00 H new ATOM 0 HE1 MET A 50 8.550 -11.421 0.092 1.00 0.00 H new ATOM 0 HE2 MET A 50 8.689 -11.228 1.856 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.143 -11.735 1.134 1.00 0.00 H new ATOM 768 N LYS A 51 3.943 -10.334 5.631 1.00 0.00 N ATOM 769 CA LYS A 51 2.903 -11.240 6.092 1.00 0.00 C ATOM 770 C LYS A 51 1.961 -11.595 4.942 1.00 0.00 C ATOM 771 O LYS A 51 1.790 -10.806 4.013 1.00 0.00 O ATOM 772 CB LYS A 51 2.127 -10.601 7.243 1.00 0.00 C ATOM 773 CG LYS A 51 1.960 -11.509 8.450 1.00 0.00 C ATOM 774 CD LYS A 51 0.953 -10.943 9.439 1.00 0.00 C ATOM 775 CE LYS A 51 1.565 -10.777 10.822 1.00 0.00 C ATOM 776 NZ LYS A 51 2.769 -9.902 10.798 1.00 0.00 N ATOM 0 H LYS A 51 3.691 -9.347 5.675 1.00 0.00 H new ATOM 0 HA LYS A 51 3.367 -12.158 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.640 -9.691 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.141 -10.305 6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.634 -12.496 8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.923 -11.640 8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.592 -9.979 9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.089 -11.604 9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.823 -10.354 11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.836 -11.756 11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.886 -9.447 11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.610 -10.475 10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.653 -9.172 10.066 1.00 0.00 H new ATOM 790 N PRO A 52 1.356 -12.799 4.977 1.00 0.00 N ATOM 791 CA PRO A 52 0.460 -13.278 3.923 1.00 0.00 C ATOM 792 C PRO A 52 -0.429 -12.190 3.321 1.00 0.00 C ATOM 793 O PRO A 52 -0.278 -11.838 2.152 1.00 0.00 O ATOM 794 CB PRO A 52 -0.384 -14.313 4.659 1.00 0.00 C ATOM 795 CG PRO A 52 0.544 -14.898 5.669 1.00 0.00 C ATOM 796 CD PRO A 52 1.523 -13.809 6.041 1.00 0.00 C ATOM 0 HA PRO A 52 1.014 -13.660 3.066 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.250 -13.854 5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.761 -15.075 3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.005 -15.241 6.546 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.065 -15.764 5.260 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.303 -13.393 7.024 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.545 -14.186 6.076 1.00 0.00 H new ATOM 804 N GLY A 53 -1.396 -11.710 4.098 1.00 0.00 N ATOM 805 CA GLY A 53 -2.314 -10.697 3.606 1.00 0.00 C ATOM 806 C GLY A 53 -2.022 -9.315 4.151 1.00 0.00 C ATOM 807 O GLY A 53 -2.869 -8.708 4.807 1.00 0.00 O ATOM 0 H GLY A 53 -1.560 -12.005 5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.265 -10.669 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.333 -10.978 3.873 1.00 0.00 H new ATOM 811 N GLU A 54 -0.831 -8.810 3.864 1.00 0.00 N ATOM 812 CA GLU A 54 -0.430 -7.488 4.340 1.00 0.00 C ATOM 813 C GLU A 54 -0.795 -6.392 3.341 1.00 0.00 C ATOM 814 O GLU A 54 -0.783 -6.607 2.129 1.00 0.00 O ATOM 815 CB GLU A 54 1.073 -7.454 4.615 1.00 0.00 C ATOM 816 CG GLU A 54 1.415 -7.583 6.089 1.00 0.00 C ATOM 817 CD GLU A 54 0.837 -6.459 6.925 1.00 0.00 C ATOM 818 OE1 GLU A 54 1.482 -5.393 7.015 1.00 0.00 O ATOM 819 OE2 GLU A 54 -0.262 -6.643 7.490 1.00 0.00 O ATOM 0 H GLU A 54 -0.126 -9.291 3.306 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.974 -7.297 5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.555 -8.262 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.484 -6.519 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.042 -8.537 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.499 -7.597 6.206 1.00 0.00 H new ATOM 826 N ILE A 55 -1.110 -5.210 3.868 1.00 0.00 N ATOM 827 CA ILE A 55 -1.449 -4.051 3.047 1.00 0.00 C ATOM 828 C ILE A 55 -0.650 -2.834 3.504 1.00 0.00 C ATOM 829 O ILE A 55 -0.826 -2.355 4.625 1.00 0.00 O ATOM 830 CB ILE A 55 -2.954 -3.715 3.119 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.775 -4.957 3.494 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.430 -3.129 1.796 1.00 0.00 C ATOM 833 CD1 ILE A 55 -3.889 -5.981 2.385 1.00 0.00 C ATOM 0 H ILE A 55 -1.137 -5.030 4.872 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.200 -4.302 2.016 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.102 -2.969 3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.321 -5.430 4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.776 -4.642 3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.493 -2.897 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.873 -2.218 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.266 -3.852 0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.484 -6.827 2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.372 -5.527 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.894 -6.327 2.106 1.00 0.00 H new ATOM 845 N LEU A 56 0.234 -2.341 2.643 1.00 0.00 N ATOM 846 CA LEU A 56 1.089 -1.214 2.997 1.00 0.00 C ATOM 847 C LEU A 56 0.870 -0.018 2.079 1.00 0.00 C ATOM 848 O LEU A 56 0.525 -0.166 0.907 1.00 0.00 O ATOM 849 CB LEU A 56 2.560 -1.633 2.939 1.00 0.00 C ATOM 850 CG LEU A 56 2.833 -3.086 3.327 1.00 0.00 C ATOM 851 CD1 LEU A 56 4.309 -3.414 3.159 1.00 0.00 C ATOM 852 CD2 LEU A 56 2.382 -3.344 4.754 1.00 0.00 C ATOM 0 H LEU A 56 0.377 -2.702 1.700 1.00 0.00 H new ATOM 0 HA LEU A 56 0.824 -0.914 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.930 -1.467 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.134 -0.982 3.599 1.00 0.00 H new ATOM 0 HG LEU A 56 2.263 -3.737 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.485 -4.452 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.599 -3.265 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.902 -2.760 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.582 -4.383 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.926 -2.687 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.313 -3.148 4.839 1.00 0.00 H new ATOM 864 N GLU A 57 1.109 1.169 2.626 1.00 0.00 N ATOM 865 CA GLU A 57 1.004 2.407 1.865 1.00 0.00 C ATOM 866 C GLU A 57 2.318 3.172 1.951 1.00 0.00 C ATOM 867 O GLU A 57 2.789 3.493 3.041 1.00 0.00 O ATOM 868 CB GLU A 57 -0.152 3.265 2.386 1.00 0.00 C ATOM 869 CG GLU A 57 -0.119 4.706 1.899 1.00 0.00 C ATOM 870 CD GLU A 57 -0.826 5.659 2.844 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.854 5.259 3.431 1.00 0.00 O ATOM 872 OE2 GLU A 57 -0.353 6.804 2.996 1.00 0.00 O ATOM 0 H GLU A 57 1.379 1.299 3.601 1.00 0.00 H new ATOM 0 HA GLU A 57 0.800 2.165 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.095 2.810 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.133 3.260 3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.918 5.021 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.585 4.764 0.915 1.00 0.00 H new ATOM 879 N VAL A 58 2.920 3.433 0.799 1.00 0.00 N ATOM 880 CA VAL A 58 4.213 4.104 0.754 1.00 0.00 C ATOM 881 C VAL A 58 4.120 5.478 0.104 1.00 0.00 C ATOM 882 O VAL A 58 3.437 5.659 -0.904 1.00 0.00 O ATOM 883 CB VAL A 58 5.253 3.263 -0.009 1.00 0.00 C ATOM 884 CG1 VAL A 58 6.660 3.773 0.263 1.00 0.00 C ATOM 885 CG2 VAL A 58 5.133 1.791 0.359 1.00 0.00 C ATOM 0 H VAL A 58 2.536 3.192 -0.115 1.00 0.00 H new ATOM 0 HA VAL A 58 4.530 4.225 1.790 1.00 0.00 H new ATOM 0 HB VAL A 58 5.054 3.363 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.380 3.165 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.740 4.811 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.870 3.709 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.877 1.216 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.300 1.669 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.136 1.432 0.104 1.00 0.00 H new ATOM 895 N TRP A 59 4.834 6.437 0.683 1.00 0.00 N ATOM 896 CA TRP A 59 4.874 7.796 0.159 1.00 0.00 C ATOM 897 C TRP A 59 6.311 8.301 0.103 1.00 0.00 C ATOM 898 O TRP A 59 6.925 8.573 1.137 1.00 0.00 O ATOM 899 CB TRP A 59 4.022 8.731 1.023 1.00 0.00 C ATOM 900 CG TRP A 59 3.664 10.021 0.343 1.00 0.00 C ATOM 901 CD1 TRP A 59 3.631 10.261 -1.003 1.00 0.00 C ATOM 902 CD2 TRP A 59 3.286 11.249 0.978 1.00 0.00 C ATOM 903 NE1 TRP A 59 3.258 11.561 -1.241 1.00 0.00 N ATOM 904 CE2 TRP A 59 3.041 12.187 -0.043 1.00 0.00 C ATOM 905 CE3 TRP A 59 3.132 11.646 2.309 1.00 0.00 C ATOM 906 CZ2 TRP A 59 2.651 13.497 0.227 1.00 0.00 C ATOM 907 CZ3 TRP A 59 2.745 12.947 2.574 1.00 0.00 C ATOM 908 CH2 TRP A 59 2.507 13.858 1.538 1.00 0.00 C ATOM 0 H TRP A 59 5.397 6.296 1.522 1.00 0.00 H new ATOM 0 HA TRP A 59 4.465 7.786 -0.851 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.106 8.214 1.308 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.562 8.953 1.944 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.864 9.534 -1.767 1.00 0.00 H new ATOM 0 HE1 TRP A 59 3.159 11.990 -2.161 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.312 10.950 3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.469 14.202 -0.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.624 13.266 3.599 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.204 14.866 1.779 1.00 0.00 H new ATOM 919 N ILE A 60 6.855 8.393 -1.107 1.00 0.00 N ATOM 920 CA ILE A 60 8.231 8.838 -1.295 1.00 0.00 C ATOM 921 C ILE A 60 8.446 9.394 -2.699 1.00 0.00 C ATOM 922 O ILE A 60 7.489 9.653 -3.428 1.00 0.00 O ATOM 923 CB ILE A 60 9.234 7.691 -1.054 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.569 6.335 -1.310 1.00 0.00 C ATOM 925 CG2 ILE A 60 9.783 7.759 0.363 1.00 0.00 C ATOM 926 CD1 ILE A 60 9.528 5.165 -1.244 1.00 0.00 C ATOM 0 H ILE A 60 6.364 8.165 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 60 8.407 9.626 -0.563 1.00 0.00 H new ATOM 0 HB ILE A 60 10.064 7.802 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.776 6.185 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.097 6.351 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.489 6.944 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.290 8.712 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.963 7.670 1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.986 4.239 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.308 5.291 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.982 5.122 -0.254 1.00 0.00 H new ATOM 938 N ASP A 61 9.710 9.574 -3.071 1.00 0.00 N ATOM 939 CA ASP A 61 10.054 10.098 -4.387 1.00 0.00 C ATOM 940 C ASP A 61 10.724 9.027 -5.242 1.00 0.00 C ATOM 941 O ASP A 61 11.059 9.265 -6.402 1.00 0.00 O ATOM 942 CB ASP A 61 10.982 11.307 -4.251 1.00 0.00 C ATOM 943 CG ASP A 61 10.524 12.272 -3.175 1.00 0.00 C ATOM 944 OD1 ASP A 61 9.297 12.415 -2.990 1.00 0.00 O ATOM 945 OD2 ASP A 61 11.392 12.885 -2.519 1.00 0.00 O ATOM 0 H ASP A 61 10.513 9.364 -2.478 1.00 0.00 H new ATOM 0 HA ASP A 61 9.131 10.407 -4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.990 10.963 -4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.034 11.830 -5.206 1.00 0.00 H new ATOM 950 N TYR A 62 10.922 7.848 -4.658 1.00 0.00 N ATOM 951 CA TYR A 62 11.559 6.740 -5.364 1.00 0.00 C ATOM 952 C TYR A 62 10.744 5.456 -5.209 1.00 0.00 C ATOM 953 O TYR A 62 10.427 5.047 -4.093 1.00 0.00 O ATOM 954 CB TYR A 62 12.980 6.523 -4.838 1.00 0.00 C ATOM 955 CG TYR A 62 13.691 7.804 -4.460 1.00 0.00 C ATOM 956 CD1 TYR A 62 14.247 8.625 -5.433 1.00 0.00 C ATOM 957 CD2 TYR A 62 13.801 8.193 -3.131 1.00 0.00 C ATOM 958 CE1 TYR A 62 14.894 9.797 -5.091 1.00 0.00 C ATOM 959 CE2 TYR A 62 14.447 9.365 -2.782 1.00 0.00 C ATOM 960 CZ TYR A 62 14.992 10.163 -3.765 1.00 0.00 C ATOM 961 OH TYR A 62 15.636 11.330 -3.422 1.00 0.00 O ATOM 0 H TYR A 62 10.651 7.635 -3.698 1.00 0.00 H new ATOM 0 HA TYR A 62 11.606 6.994 -6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 62 12.939 5.870 -3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.564 6.004 -5.598 1.00 0.00 H new ATOM 0 HD1 TYR A 62 14.172 8.343 -6.473 1.00 0.00 H new ATOM 0 HD2 TYR A 62 13.375 7.570 -2.358 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.321 10.424 -5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 62 14.524 9.654 -1.744 1.00 0.00 H new ATOM 0 HH TYR A 62 15.616 11.441 -2.449 1.00 0.00 H new ATOM 971 N PRO A 63 10.393 4.799 -6.332 1.00 0.00 N ATOM 972 CA PRO A 63 9.606 3.558 -6.307 1.00 0.00 C ATOM 973 C PRO A 63 10.291 2.452 -5.511 1.00 0.00 C ATOM 974 O PRO A 63 11.176 1.766 -6.021 1.00 0.00 O ATOM 975 CB PRO A 63 9.503 3.162 -7.785 1.00 0.00 C ATOM 976 CG PRO A 63 9.762 4.418 -8.542 1.00 0.00 C ATOM 977 CD PRO A 63 10.723 5.213 -7.707 1.00 0.00 C ATOM 0 HA PRO A 63 8.640 3.704 -5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.231 2.392 -8.038 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.518 2.758 -8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.184 4.202 -9.524 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.838 4.972 -8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.759 4.986 -7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.588 6.285 -7.848 1.00 0.00 H new ATOM 985 N MET A 64 9.873 2.281 -4.261 1.00 0.00 N ATOM 986 CA MET A 64 10.441 1.252 -3.396 1.00 0.00 C ATOM 987 C MET A 64 10.067 -0.142 -3.891 1.00 0.00 C ATOM 988 O MET A 64 10.692 -1.138 -3.518 1.00 0.00 O ATOM 989 CB MET A 64 9.960 1.442 -1.956 1.00 0.00 C ATOM 990 CG MET A 64 11.082 1.412 -0.931 1.00 0.00 C ATOM 991 SD MET A 64 12.214 2.804 -1.101 1.00 0.00 S ATOM 992 CE MET A 64 12.619 3.125 0.614 1.00 0.00 C ATOM 0 H MET A 64 9.142 2.842 -3.824 1.00 0.00 H new ATOM 0 HA MET A 64 11.526 1.348 -3.423 1.00 0.00 H new ATOM 0 HB2 MET A 64 9.435 2.394 -1.880 1.00 0.00 H new ATOM 0 HB3 MET A 64 9.239 0.660 -1.716 1.00 0.00 H new ATOM 0 HG2 MET A 64 10.654 1.417 0.071 1.00 0.00 H new ATOM 0 HG3 MET A 64 11.639 0.481 -1.035 1.00 0.00 H new ATOM 0 HE1 MET A 64 12.322 4.141 0.874 1.00 0.00 H new ATOM 0 HE2 MET A 64 12.089 2.417 1.252 1.00 0.00 H new ATOM 0 HE3 MET A 64 13.693 3.012 0.761 1.00 0.00 H new ATOM 1002 N SER A 65 9.046 -0.206 -4.739 1.00 0.00 N ATOM 1003 CA SER A 65 8.589 -1.475 -5.288 1.00 0.00 C ATOM 1004 C SER A 65 9.670 -2.114 -6.154 1.00 0.00 C ATOM 1005 O SER A 65 9.561 -3.276 -6.537 1.00 0.00 O ATOM 1006 CB SER A 65 7.315 -1.272 -6.110 1.00 0.00 C ATOM 1007 OG SER A 65 7.620 -0.947 -7.455 1.00 0.00 O ATOM 0 H SER A 65 8.520 0.607 -5.060 1.00 0.00 H new ATOM 0 HA SER A 65 8.372 -2.144 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.711 -2.179 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.716 -0.476 -5.667 1.00 0.00 H new ATOM 0 HG SER A 65 6.788 -0.824 -7.959 1.00 0.00 H new ATOM 1013 N LYS A 66 10.714 -1.347 -6.455 1.00 0.00 N ATOM 1014 CA LYS A 66 11.815 -1.841 -7.275 1.00 0.00 C ATOM 1015 C LYS A 66 12.483 -3.048 -6.623 1.00 0.00 C ATOM 1016 O LYS A 66 12.854 -4.005 -7.301 1.00 0.00 O ATOM 1017 CB LYS A 66 12.846 -0.735 -7.506 1.00 0.00 C ATOM 1018 CG LYS A 66 13.487 -0.221 -6.225 1.00 0.00 C ATOM 1019 CD LYS A 66 14.490 0.885 -6.508 1.00 0.00 C ATOM 1020 CE LYS A 66 14.355 2.026 -5.514 1.00 0.00 C ATOM 1021 NZ LYS A 66 14.758 3.331 -6.106 1.00 0.00 N ATOM 0 H LYS A 66 10.820 -0.382 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 66 11.405 -2.151 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.627 -1.110 -8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.365 0.097 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.713 0.151 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.986 -1.043 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.501 0.481 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.341 1.263 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.322 2.087 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.971 1.819 -4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.651 4.083 -5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.751 3.282 -6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.154 3.542 -6.926 1.00 0.00 H new ATOM 1035 N GLU A 67 12.632 -2.993 -5.303 1.00 0.00 N ATOM 1036 CA GLU A 67 13.234 -4.090 -4.555 1.00 0.00 C ATOM 1037 C GLU A 67 12.161 -5.079 -4.116 1.00 0.00 C ATOM 1038 O GLU A 67 12.425 -6.271 -3.933 1.00 0.00 O ATOM 1039 CB GLU A 67 13.983 -3.553 -3.334 1.00 0.00 C ATOM 1040 CG GLU A 67 15.471 -3.358 -3.570 1.00 0.00 C ATOM 1041 CD GLU A 67 16.266 -3.329 -2.280 1.00 0.00 C ATOM 1042 OE1 GLU A 67 16.352 -4.381 -1.612 1.00 0.00 O ATOM 1043 OE2 GLU A 67 16.801 -2.253 -1.936 1.00 0.00 O ATOM 0 H GLU A 67 12.344 -2.200 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 67 13.944 -4.604 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.543 -2.601 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.843 -4.242 -2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.843 -4.163 -4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.630 -2.426 -4.112 1.00 0.00 H new ATOM 1050 N ARG A 68 10.940 -4.575 -3.974 1.00 0.00 N ATOM 1051 CA ARG A 68 9.817 -5.407 -3.572 1.00 0.00 C ATOM 1052 C ARG A 68 9.528 -6.478 -4.619 1.00 0.00 C ATOM 1053 O ARG A 68 9.292 -7.635 -4.278 1.00 0.00 O ATOM 1054 CB ARG A 68 8.573 -4.546 -3.350 1.00 0.00 C ATOM 1055 CG ARG A 68 8.683 -3.620 -2.149 1.00 0.00 C ATOM 1056 CD ARG A 68 7.365 -2.918 -1.865 1.00 0.00 C ATOM 1057 NE ARG A 68 7.177 -2.664 -0.439 1.00 0.00 N ATOM 1058 CZ ARG A 68 7.304 -1.465 0.120 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.620 -0.411 -0.622 1.00 0.00 N ATOM 1060 NH2 ARG A 68 7.115 -1.316 1.424 1.00 0.00 N ATOM 0 H ARG A 68 10.705 -3.595 -4.132 1.00 0.00 H new ATOM 0 HA ARG A 68 10.081 -5.902 -2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.390 -3.949 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.709 -5.197 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.988 -4.193 -1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.460 -2.878 -2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.332 -1.974 -2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.542 -3.528 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 68 6.934 -3.452 0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.766 -0.519 -1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.716 0.507 -0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.872 -2.122 1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.213 -0.395 1.852 1.00 0.00 H new ATOM 1074 N ILE A 69 9.561 -6.088 -5.895 1.00 0.00 N ATOM 1075 CA ILE A 69 9.278 -7.018 -6.989 1.00 0.00 C ATOM 1076 C ILE A 69 10.125 -8.293 -6.883 1.00 0.00 C ATOM 1077 O ILE A 69 9.577 -9.392 -6.851 1.00 0.00 O ATOM 1078 CB ILE A 69 9.493 -6.365 -8.372 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.530 -5.193 -8.563 1.00 0.00 C ATOM 1080 CG2 ILE A 69 9.309 -7.389 -9.483 1.00 0.00 C ATOM 1081 CD1 ILE A 69 9.062 -4.118 -9.486 1.00 0.00 C ATOM 0 H ILE A 69 9.780 -5.138 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 69 8.226 -7.288 -6.895 1.00 0.00 H new ATOM 0 HB ILE A 69 10.514 -5.987 -8.419 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.588 -5.569 -8.961 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.311 -4.751 -7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.465 -6.909 -10.449 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.031 -8.196 -9.358 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.299 -7.796 -9.439 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.327 -3.318 -9.575 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.989 -3.715 -9.079 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.254 -4.546 -10.470 1.00 0.00 H new ATOM 1093 N PRO A 70 11.471 -8.176 -6.820 1.00 0.00 N ATOM 1094 CA PRO A 70 12.354 -9.345 -6.721 1.00 0.00 C ATOM 1095 C PRO A 70 11.976 -10.270 -5.566 1.00 0.00 C ATOM 1096 O PRO A 70 12.010 -11.493 -5.701 1.00 0.00 O ATOM 1097 CB PRO A 70 13.736 -8.735 -6.481 1.00 0.00 C ATOM 1098 CG PRO A 70 13.654 -7.370 -7.067 1.00 0.00 C ATOM 1099 CD PRO A 70 12.237 -6.914 -6.857 1.00 0.00 C ATOM 0 HA PRO A 70 12.296 -9.967 -7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.972 -8.696 -5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.518 -9.325 -6.960 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.358 -6.694 -6.581 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.906 -7.385 -8.127 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.130 -6.352 -5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.901 -6.264 -7.665 1.00 0.00 H new ATOM 1107 N GLU A 71 11.621 -9.682 -4.427 1.00 0.00 N ATOM 1108 CA GLU A 71 11.252 -10.465 -3.251 1.00 0.00 C ATOM 1109 C GLU A 71 9.954 -11.241 -3.478 1.00 0.00 C ATOM 1110 O GLU A 71 9.931 -12.474 -3.412 1.00 0.00 O ATOM 1111 CB GLU A 71 11.102 -9.549 -2.034 1.00 0.00 C ATOM 1112 CG GLU A 71 12.069 -9.874 -0.905 1.00 0.00 C ATOM 1113 CD GLU A 71 13.171 -8.842 -0.762 1.00 0.00 C ATOM 1114 OE1 GLU A 71 13.429 -8.108 -1.740 1.00 0.00 O ATOM 1115 OE2 GLU A 71 13.775 -8.767 0.328 1.00 0.00 O ATOM 0 H GLU A 71 11.581 -8.672 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 71 12.049 -11.186 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.255 -8.516 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.081 -9.621 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.517 -9.942 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.514 -10.853 -1.084 1.00 0.00 H new ATOM 1122 N THR A 72 8.872 -10.515 -3.732 1.00 0.00 N ATOM 1123 CA THR A 72 7.571 -11.132 -3.935 1.00 0.00 C ATOM 1124 C THR A 72 7.601 -12.145 -5.074 1.00 0.00 C ATOM 1125 O THR A 72 7.049 -13.237 -4.951 1.00 0.00 O ATOM 1126 CB THR A 72 6.518 -10.062 -4.216 1.00 0.00 C ATOM 1127 OG1 THR A 72 7.126 -8.816 -4.497 1.00 0.00 O ATOM 1128 CG2 THR A 72 5.558 -9.857 -3.068 1.00 0.00 C ATOM 0 H THR A 72 8.872 -9.497 -3.802 1.00 0.00 H new ATOM 0 HA THR A 72 7.311 -11.664 -3.020 1.00 0.00 H new ATOM 0 HB THR A 72 5.959 -10.427 -5.078 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.147 -8.673 -5.466 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.836 -9.084 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.033 -10.790 -2.862 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.112 -9.549 -2.181 1.00 0.00 H new ATOM 1136 N VAL A 73 8.249 -11.788 -6.178 1.00 0.00 N ATOM 1137 CA VAL A 73 8.324 -12.682 -7.327 1.00 0.00 C ATOM 1138 C VAL A 73 8.981 -14.002 -6.943 1.00 0.00 C ATOM 1139 O VAL A 73 8.649 -15.051 -7.497 1.00 0.00 O ATOM 1140 CB VAL A 73 9.075 -12.045 -8.513 1.00 0.00 C ATOM 1141 CG1 VAL A 73 10.569 -11.964 -8.238 1.00 0.00 C ATOM 1142 CG2 VAL A 73 8.806 -12.823 -9.792 1.00 0.00 C ATOM 0 H VAL A 73 8.726 -10.895 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 73 7.299 -12.871 -7.647 1.00 0.00 H new ATOM 0 HB VAL A 73 8.704 -11.028 -8.640 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.072 -11.511 -9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.743 -11.357 -7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.964 -12.967 -8.075 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.344 -12.360 -10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.144 -13.852 -9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.737 -12.815 -10.004 1.00 0.00 H new ATOM 1152 N LYS A 74 9.884 -13.955 -5.965 1.00 0.00 N ATOM 1153 CA LYS A 74 10.511 -15.169 -5.464 1.00 0.00 C ATOM 1154 C LYS A 74 9.423 -16.098 -4.951 1.00 0.00 C ATOM 1155 O LYS A 74 9.433 -17.301 -5.214 1.00 0.00 O ATOM 1156 CB LYS A 74 11.506 -14.847 -4.348 1.00 0.00 C ATOM 1157 CG LYS A 74 12.327 -16.044 -3.894 1.00 0.00 C ATOM 1158 CD LYS A 74 13.699 -16.061 -4.551 1.00 0.00 C ATOM 1159 CE LYS A 74 14.672 -15.138 -3.833 1.00 0.00 C ATOM 1160 NZ LYS A 74 15.623 -15.894 -2.974 1.00 0.00 N ATOM 0 H LYS A 74 10.193 -13.096 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 74 11.064 -15.652 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.182 -14.064 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.962 -14.446 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.442 -16.018 -2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.795 -16.964 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.092 -17.078 -4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.608 -15.756 -5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.230 -14.556 -4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.115 -14.429 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.269 -15.229 -2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.093 -16.429 -2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.173 -16.553 -3.561 1.00 0.00 H new ATOM 1174 N LYS A 75 8.440 -15.502 -4.282 1.00 0.00 N ATOM 1175 CA LYS A 75 7.280 -16.241 -3.796 1.00 0.00 C ATOM 1176 C LYS A 75 6.202 -16.287 -4.879 1.00 0.00 C ATOM 1177 O LYS A 75 6.111 -17.254 -5.636 1.00 0.00 O ATOM 1178 CB LYS A 75 6.725 -15.589 -2.529 1.00 0.00 C ATOM 1179 CG LYS A 75 7.469 -15.979 -1.262 1.00 0.00 C ATOM 1180 CD LYS A 75 7.661 -14.787 -0.337 1.00 0.00 C ATOM 1181 CE LYS A 75 6.333 -14.270 0.193 1.00 0.00 C ATOM 1182 NZ LYS A 75 6.314 -14.205 1.680 1.00 0.00 N ATOM 0 H LYS A 75 8.424 -14.506 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 75 7.588 -17.259 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.763 -14.506 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.675 -15.862 -2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.916 -16.760 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.441 -16.397 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.300 -15.073 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.175 -13.989 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.141 -13.278 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.528 -14.918 -0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.432 -13.754 1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.370 -15.167 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.127 -13.649 2.014 1.00 0.00 H new ATOM 1196 N LEU A 76 5.383 -15.238 -4.940 1.00 0.00 N ATOM 1197 CA LEU A 76 4.354 -15.124 -5.970 1.00 0.00 C ATOM 1198 C LEU A 76 4.842 -14.228 -7.107 1.00 0.00 C ATOM 1199 O LEU A 76 5.686 -14.630 -7.907 1.00 0.00 O ATOM 1200 CB LEU A 76 3.028 -14.580 -5.402 1.00 0.00 C ATOM 1201 CG LEU A 76 3.106 -13.768 -4.099 1.00 0.00 C ATOM 1202 CD1 LEU A 76 3.349 -14.682 -2.907 1.00 0.00 C ATOM 1203 CD2 LEU A 76 4.173 -12.686 -4.178 1.00 0.00 C ATOM 0 H LEU A 76 5.413 -14.455 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 76 4.163 -16.126 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.565 -13.953 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.360 -15.425 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 76 2.145 -13.272 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.401 -14.086 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.532 -15.399 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.289 -15.217 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.200 -12.132 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.145 -13.146 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.939 -12.004 -4.995 1.00 0.00 H new ATOM 1215 N GLY A 77 4.321 -13.004 -7.156 1.00 0.00 N ATOM 1216 CA GLY A 77 4.731 -12.058 -8.172 1.00 0.00 C ATOM 1217 C GLY A 77 5.038 -10.693 -7.589 1.00 0.00 C ATOM 1218 O GLY A 77 6.200 -10.364 -7.344 1.00 0.00 O ATOM 0 H GLY A 77 3.619 -12.652 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.613 -12.439 -8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.942 -11.964 -8.919 1.00 0.00 H new ATOM 1222 N HIS A 78 4.001 -9.883 -7.397 1.00 0.00 N ATOM 1223 CA HIS A 78 4.169 -8.547 -6.834 1.00 0.00 C ATOM 1224 C HIS A 78 2.964 -8.148 -5.988 1.00 0.00 C ATOM 1225 O HIS A 78 1.924 -8.805 -6.021 1.00 0.00 O ATOM 1226 CB HIS A 78 4.388 -7.518 -7.948 1.00 0.00 C ATOM 1227 CG HIS A 78 3.991 -8.005 -9.307 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.751 -8.547 -9.541 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.703 -8.011 -10.462 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.731 -8.869 -10.822 1.00 0.00 C ATOM 1231 NE2 HIS A 78 3.892 -8.562 -11.420 1.00 0.00 N ATOM 0 H HIS A 78 3.037 -10.128 -7.623 1.00 0.00 H new ATOM 0 HA HIS A 78 5.048 -8.567 -6.190 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.820 -6.617 -7.715 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.440 -7.235 -7.967 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.712 -7.652 -10.600 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.888 -9.321 -11.323 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.127 -8.710 -12.401 1.00 0.00 H new ATOM 1239 N GLU A 79 3.109 -7.055 -5.244 1.00 0.00 N ATOM 1240 CA GLU A 79 2.046 -6.543 -4.409 1.00 0.00 C ATOM 1241 C GLU A 79 1.523 -5.235 -4.988 1.00 0.00 C ATOM 1242 O GLU A 79 1.607 -4.187 -4.353 1.00 0.00 O ATOM 1243 CB GLU A 79 2.577 -6.321 -2.995 1.00 0.00 C ATOM 1244 CG GLU A 79 3.872 -7.060 -2.700 1.00 0.00 C ATOM 1245 CD GLU A 79 5.102 -6.197 -2.906 1.00 0.00 C ATOM 1246 OE1 GLU A 79 5.221 -5.581 -3.985 1.00 0.00 O ATOM 1247 OE2 GLU A 79 5.946 -6.138 -1.987 1.00 0.00 O ATOM 0 H GLU A 79 3.968 -6.506 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 79 1.228 -7.262 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.736 -5.254 -2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.819 -6.637 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.854 -7.419 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.938 -7.938 -3.342 1.00 0.00 H new ATOM 1254 N VAL A 80 1.003 -5.302 -6.207 1.00 0.00 N ATOM 1255 CA VAL A 80 0.517 -4.110 -6.892 1.00 0.00 C ATOM 1256 C VAL A 80 -0.993 -3.976 -6.761 1.00 0.00 C ATOM 1257 O VAL A 80 -1.745 -4.871 -7.149 1.00 0.00 O ATOM 1258 CB VAL A 80 0.892 -4.122 -8.390 1.00 0.00 C ATOM 1259 CG1 VAL A 80 1.499 -2.787 -8.796 1.00 0.00 C ATOM 1260 CG2 VAL A 80 1.847 -5.266 -8.704 1.00 0.00 C ATOM 0 H VAL A 80 0.907 -6.166 -6.741 1.00 0.00 H new ATOM 0 HA VAL A 80 0.998 -3.257 -6.413 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.019 -4.278 -8.968 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.758 -2.812 -9.855 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.777 -1.990 -8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.397 -2.602 -8.207 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.095 -5.252 -9.765 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.758 -5.151 -8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.372 -6.215 -8.455 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.430 -2.848 -6.211 1.00 0.00 N ATOM 1271 CA LEU A 81 -2.850 -2.594 -6.018 1.00 0.00 C ATOM 1272 C LEU A 81 -3.228 -1.193 -6.478 1.00 0.00 C ATOM 1273 O LEU A 81 -4.297 -0.989 -7.053 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.231 -2.789 -4.547 1.00 0.00 C ATOM 1275 CG LEU A 81 -2.814 -1.654 -3.609 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -4.025 -0.834 -3.195 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -2.096 -2.206 -2.387 1.00 0.00 C ATOM 0 H LEU A 81 -0.820 -2.096 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.404 -3.310 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.312 -2.914 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.781 -3.716 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.124 -1.001 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.710 -0.031 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.495 -0.407 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.739 -1.475 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.807 -1.384 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.761 -2.882 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.205 -2.748 -2.703 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.347 -0.232 -6.232 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.614 1.148 -6.627 1.00 0.00 C ATOM 1291 C GLU A 82 -1.327 1.929 -6.871 1.00 0.00 C ATOM 1292 O GLU A 82 -0.305 1.681 -6.233 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.456 1.849 -5.560 1.00 0.00 C ATOM 1294 CG GLU A 82 -4.645 2.607 -6.126 1.00 0.00 C ATOM 1295 CD GLU A 82 -4.468 4.111 -6.050 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -3.491 4.623 -6.635 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -5.306 4.775 -5.406 1.00 0.00 O ATOM 0 H GLU A 82 -1.451 -0.378 -5.767 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.167 1.119 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.815 1.107 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.823 2.543 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.796 2.315 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.545 2.323 -5.581 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.393 2.875 -7.805 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.251 3.719 -8.141 1.00 0.00 C ATOM 1306 C ILE A 83 -0.718 5.135 -8.478 1.00 0.00 C ATOM 1307 O ILE A 83 -1.672 5.316 -9.236 1.00 0.00 O ATOM 1308 CB ILE A 83 0.545 3.149 -9.334 1.00 0.00 C ATOM 1309 CG1 ILE A 83 1.176 1.805 -8.962 1.00 0.00 C ATOM 1310 CG2 ILE A 83 1.619 4.132 -9.783 1.00 0.00 C ATOM 1311 CD1 ILE A 83 0.407 0.611 -9.484 1.00 0.00 C ATOM 0 H ILE A 83 -2.234 3.077 -8.346 1.00 0.00 H new ATOM 0 HA ILE A 83 0.403 3.743 -7.269 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.146 2.992 -10.163 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.193 1.770 -9.352 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.248 1.734 -7.877 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.169 3.711 -10.625 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.151 5.068 -10.087 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.307 4.321 -8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.912 -0.307 -9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.603 0.621 -9.074 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.357 0.657 -10.572 1.00 0.00 H new ATOM 1323 N GLU A 84 -0.052 6.133 -7.905 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.417 7.526 -8.141 1.00 0.00 C ATOM 1325 C GLU A 84 0.772 8.454 -7.932 1.00 0.00 C ATOM 1326 O GLU A 84 1.855 8.019 -7.537 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.565 7.934 -7.215 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.334 7.562 -5.759 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.433 8.067 -4.844 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -3.329 8.789 -5.331 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -2.398 7.741 -3.638 1.00 0.00 O ATOM 0 H GLU A 84 0.741 6.004 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.739 7.616 -9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.713 9.011 -7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.485 7.462 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.264 6.478 -5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.378 7.970 -5.431 1.00 0.00 H new ATOM 1338 N GLU A 85 0.563 9.738 -8.205 1.00 0.00 N ATOM 1339 CA GLU A 85 1.614 10.737 -8.054 1.00 0.00 C ATOM 1340 C GLU A 85 1.071 12.008 -7.406 1.00 0.00 C ATOM 1341 O GLU A 85 -0.133 12.142 -7.192 1.00 0.00 O ATOM 1342 CB GLU A 85 2.227 11.070 -9.416 1.00 0.00 C ATOM 1343 CG GLU A 85 1.255 11.739 -10.376 1.00 0.00 C ATOM 1344 CD GLU A 85 1.710 13.122 -10.797 1.00 0.00 C ATOM 1345 OE1 GLU A 85 2.054 13.929 -9.908 1.00 0.00 O ATOM 1346 OE2 GLU A 85 1.721 13.398 -12.015 1.00 0.00 O ATOM 0 H GLU A 85 -0.328 10.112 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 85 2.385 10.321 -7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.086 11.724 -9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.600 10.152 -9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.137 11.114 -11.261 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.275 11.811 -9.904 1.00 0.00 H new ATOM 1353 N VAL A 86 1.970 12.939 -7.101 1.00 0.00 N ATOM 1354 CA VAL A 86 1.582 14.202 -6.480 1.00 0.00 C ATOM 1355 C VAL A 86 2.346 15.372 -7.093 1.00 0.00 C ATOM 1356 O VAL A 86 1.753 16.387 -7.460 1.00 0.00 O ATOM 1357 CB VAL A 86 1.824 14.184 -4.958 1.00 0.00 C ATOM 1358 CG1 VAL A 86 0.602 13.645 -4.232 1.00 0.00 C ATOM 1359 CG2 VAL A 86 3.061 13.364 -4.619 1.00 0.00 C ATOM 0 H VAL A 86 2.971 12.843 -7.273 1.00 0.00 H new ATOM 0 HA VAL A 86 0.515 14.329 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 86 1.996 15.207 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.790 13.639 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.258 14.280 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.397 12.629 -4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.213 13.365 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.925 12.340 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.932 13.800 -5.109 1.00 0.00 H new ATOM 1369 N GLY A 87 3.662 15.222 -7.204 1.00 0.00 N ATOM 1370 CA GLY A 87 4.485 16.272 -7.775 1.00 0.00 C ATOM 1371 C GLY A 87 5.388 15.765 -8.885 1.00 0.00 C ATOM 1372 O GLY A 87 5.044 14.805 -9.575 1.00 0.00 O ATOM 0 H GLY A 87 4.174 14.391 -6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.842 17.061 -8.166 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.095 16.718 -6.990 1.00 0.00 H new ATOM 1376 N PRO A 88 6.562 16.394 -9.085 1.00 0.00 N ATOM 1377 CA PRO A 88 7.508 15.988 -10.133 1.00 0.00 C ATOM 1378 C PRO A 88 8.080 14.594 -9.896 1.00 0.00 C ATOM 1379 O PRO A 88 7.712 13.638 -10.580 1.00 0.00 O ATOM 1380 CB PRO A 88 8.616 17.044 -10.053 1.00 0.00 C ATOM 1381 CG PRO A 88 8.512 17.608 -8.678 1.00 0.00 C ATOM 1382 CD PRO A 88 7.055 17.551 -8.315 1.00 0.00 C ATOM 0 HA PRO A 88 7.027 15.933 -11.109 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.597 16.601 -10.225 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.479 17.818 -10.808 1.00 0.00 H new ATOM 0 HG2 PRO A 88 9.112 17.032 -7.974 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.882 18.633 -8.648 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.912 17.412 -7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.535 18.469 -8.590 1.00 0.00 H new ATOM 1390 N SER A 89 8.986 14.482 -8.928 1.00 0.00 N ATOM 1391 CA SER A 89 9.612 13.204 -8.612 1.00 0.00 C ATOM 1392 C SER A 89 8.953 12.552 -7.404 1.00 0.00 C ATOM 1393 O SER A 89 9.277 11.421 -7.040 1.00 0.00 O ATOM 1394 CB SER A 89 11.108 13.395 -8.349 1.00 0.00 C ATOM 1395 OG SER A 89 11.359 14.630 -7.703 1.00 0.00 O ATOM 0 H SER A 89 9.302 15.261 -8.350 1.00 0.00 H new ATOM 0 HA SER A 89 9.480 12.546 -9.471 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.479 12.577 -7.732 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.654 13.357 -9.292 1.00 0.00 H new ATOM 0 HG SER A 89 12.321 14.727 -7.545 1.00 0.00 H new ATOM 1401 N GLU A 90 8.030 13.275 -6.787 1.00 0.00 N ATOM 1402 CA GLU A 90 7.314 12.772 -5.619 1.00 0.00 C ATOM 1403 C GLU A 90 6.006 12.104 -6.032 1.00 0.00 C ATOM 1404 O GLU A 90 5.234 12.663 -6.810 1.00 0.00 O ATOM 1405 CB GLU A 90 7.032 13.909 -4.632 1.00 0.00 C ATOM 1406 CG GLU A 90 6.735 15.241 -5.301 1.00 0.00 C ATOM 1407 CD GLU A 90 7.711 16.328 -4.896 1.00 0.00 C ATOM 1408 OE1 GLU A 90 8.750 16.475 -5.572 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.437 17.030 -3.900 1.00 0.00 O ATOM 0 H GLU A 90 7.757 14.215 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 90 7.945 12.029 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.185 13.631 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.892 14.028 -3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.766 15.115 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.722 15.554 -5.046 1.00 0.00 H new ATOM 1416 N TRP A 91 5.768 10.900 -5.519 1.00 0.00 N ATOM 1417 CA TRP A 91 4.554 10.163 -5.845 1.00 0.00 C ATOM 1418 C TRP A 91 4.150 9.232 -4.707 1.00 0.00 C ATOM 1419 O TRP A 91 4.910 9.019 -3.763 1.00 0.00 O ATOM 1420 CB TRP A 91 4.748 9.356 -7.131 1.00 0.00 C ATOM 1421 CG TRP A 91 6.139 8.823 -7.300 1.00 0.00 C ATOM 1422 CD1 TRP A 91 6.766 7.901 -6.511 1.00 0.00 C ATOM 1423 CD2 TRP A 91 7.074 9.179 -8.323 1.00 0.00 C ATOM 1424 NE1 TRP A 91 8.034 7.664 -6.982 1.00 0.00 N ATOM 1425 CE2 TRP A 91 8.247 8.436 -8.093 1.00 0.00 C ATOM 1426 CE3 TRP A 91 7.035 10.055 -9.413 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 9.369 8.542 -8.913 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 8.148 10.160 -10.224 1.00 0.00 C ATOM 1429 CH2 TRP A 91 9.301 9.407 -9.970 1.00 0.00 C ATOM 0 H TRP A 91 6.398 10.417 -4.879 1.00 0.00 H new ATOM 0 HA TRP A 91 3.755 10.889 -5.994 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.045 8.523 -7.137 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.503 9.986 -7.986 1.00 0.00 H new ATOM 0 HD1 TRP A 91 6.329 7.428 -5.644 1.00 0.00 H new ATOM 0 HE1 TRP A 91 8.708 7.018 -6.571 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.150 10.639 -9.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 10.260 7.962 -8.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 8.129 10.834 -11.068 1.00 0.00 H new ATOM 0 HH2 TRP A 91 10.155 9.512 -10.623 1.00 0.00 H new ATOM 1440 N LYS A 92 2.953 8.664 -4.818 1.00 0.00 N ATOM 1441 CA LYS A 92 2.444 7.739 -3.818 1.00 0.00 C ATOM 1442 C LYS A 92 2.146 6.385 -4.448 1.00 0.00 C ATOM 1443 O LYS A 92 1.520 6.306 -5.504 1.00 0.00 O ATOM 1444 CB LYS A 92 1.177 8.303 -3.173 1.00 0.00 C ATOM 1445 CG LYS A 92 1.058 7.982 -1.694 1.00 0.00 C ATOM 1446 CD LYS A 92 -0.289 8.414 -1.134 1.00 0.00 C ATOM 1447 CE LYS A 92 -0.133 9.183 0.168 1.00 0.00 C ATOM 1448 NZ LYS A 92 -1.427 9.319 0.891 1.00 0.00 N ATOM 0 H LYS A 92 2.316 8.831 -5.597 1.00 0.00 H new ATOM 0 HA LYS A 92 3.206 7.608 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.162 9.385 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.306 7.907 -3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.189 6.911 -1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.857 8.482 -1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.805 9.036 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.912 7.536 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.588 8.673 0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.272 10.173 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.278 9.849 1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.108 9.828 0.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.801 8.375 1.114 1.00 0.00 H new ATOM 1462 N ILE A 93 2.602 5.319 -3.798 1.00 0.00 N ATOM 1463 CA ILE A 93 2.386 3.970 -4.307 1.00 0.00 C ATOM 1464 C ILE A 93 1.721 3.087 -3.257 1.00 0.00 C ATOM 1465 O ILE A 93 1.915 3.278 -2.057 1.00 0.00 O ATOM 1466 CB ILE A 93 3.709 3.313 -4.748 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.533 4.286 -5.595 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.435 2.035 -5.525 1.00 0.00 C ATOM 1469 CD1 ILE A 93 5.716 4.875 -4.858 1.00 0.00 C ATOM 0 H ILE A 93 3.121 5.363 -2.921 1.00 0.00 H new ATOM 0 HA ILE A 93 1.730 4.062 -5.172 1.00 0.00 H new ATOM 0 HB ILE A 93 4.282 3.059 -3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.891 3.768 -6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.887 5.096 -5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.380 1.584 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.886 1.336 -4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.843 2.267 -6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.254 5.555 -5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.364 5.422 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.383 4.073 -4.541 1.00 0.00 H new ATOM 1481 N TYR A 94 0.937 2.121 -3.721 1.00 0.00 N ATOM 1482 CA TYR A 94 0.247 1.198 -2.830 1.00 0.00 C ATOM 1483 C TYR A 94 0.704 -0.234 -3.087 1.00 0.00 C ATOM 1484 O TYR A 94 0.617 -0.734 -4.213 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.266 1.313 -3.009 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.884 2.447 -2.222 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.830 3.754 -2.690 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.518 2.210 -1.010 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -2.393 4.792 -1.972 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -3.084 3.243 -0.286 1.00 0.00 C ATOM 1491 CZ TYR A 94 -3.019 4.531 -0.772 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.581 5.562 -0.055 1.00 0.00 O ATOM 0 H TYR A 94 0.763 1.957 -4.713 1.00 0.00 H new ATOM 0 HA TYR A 94 0.495 1.462 -1.802 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.489 1.452 -4.067 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.732 0.375 -2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.340 3.962 -3.630 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.570 1.202 -0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.343 5.803 -2.349 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.574 3.042 0.655 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.983 5.209 0.766 1.00 0.00 H new ATOM 1502 N ILE A 95 1.160 -0.889 -2.021 1.00 0.00 N ATOM 1503 CA ILE A 95 1.684 -2.249 -2.098 1.00 0.00 C ATOM 1504 C ILE A 95 0.940 -3.150 -1.118 1.00 0.00 C ATOM 1505 O ILE A 95 0.523 -2.691 -0.057 1.00 0.00 O ATOM 1506 CB ILE A 95 3.194 -2.252 -1.762 1.00 0.00 C ATOM 1507 CG1 ILE A 95 4.000 -1.637 -2.914 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.691 -3.652 -1.438 1.00 0.00 C ATOM 1509 CD1 ILE A 95 4.051 -2.497 -4.160 1.00 0.00 C ATOM 0 H ILE A 95 1.176 -0.492 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 95 1.541 -2.625 -3.111 1.00 0.00 H new ATOM 0 HB ILE A 95 3.340 -1.641 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.568 -0.670 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.018 -1.450 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.756 -3.616 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.146 -4.042 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.528 -4.304 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.639 -1.992 -4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.512 -3.456 -3.922 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.039 -2.663 -4.529 1.00 0.00 H new ATOM 1521 N LYS A 96 0.694 -4.406 -1.498 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.041 -5.312 -0.609 1.00 0.00 C ATOM 1523 C LYS A 96 0.341 -6.773 -0.830 1.00 0.00 C ATOM 1524 O LYS A 96 0.067 -7.350 -1.884 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.554 -5.109 -0.781 1.00 0.00 C ATOM 1526 CG LYS A 96 -2.385 -6.384 -0.696 1.00 0.00 C ATOM 1527 CD LYS A 96 -2.992 -6.742 -2.041 1.00 0.00 C ATOM 1528 CE LYS A 96 -4.391 -6.167 -2.191 1.00 0.00 C ATOM 1529 NZ LYS A 96 -4.585 -5.512 -3.515 1.00 0.00 N ATOM 0 H LYS A 96 0.983 -4.811 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 96 0.236 -5.066 0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.902 -4.414 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.735 -4.638 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.759 -7.205 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.179 -6.254 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.355 -6.365 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.030 -7.826 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.125 -6.963 -2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.572 -5.442 -1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.856 -4.518 -3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.699 -5.556 -4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.336 -6.005 -4.039 1.00 0.00 H new ATOM 1543 N VAL A 97 0.951 -7.375 0.187 1.00 0.00 N ATOM 1544 CA VAL A 97 1.342 -8.777 0.123 1.00 0.00 C ATOM 1545 C VAL A 97 0.115 -9.672 0.010 1.00 0.00 C ATOM 1546 O VAL A 97 -0.753 -9.661 0.884 1.00 0.00 O ATOM 1547 CB VAL A 97 2.155 -9.192 1.364 1.00 0.00 C ATOM 1548 CG1 VAL A 97 2.764 -10.573 1.170 1.00 0.00 C ATOM 1549 CG2 VAL A 97 3.234 -8.163 1.668 1.00 0.00 C ATOM 0 H VAL A 97 1.185 -6.912 1.065 1.00 0.00 H new ATOM 0 HA VAL A 97 1.966 -8.897 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 97 1.478 -9.236 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.334 -10.847 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.969 -11.302 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.425 -10.561 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.797 -8.475 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.909 -8.081 0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.770 -7.195 1.858 1.00 0.00 H new ATOM 1559 N LYS A 98 0.042 -10.437 -1.076 1.00 0.00 N ATOM 1560 CA LYS A 98 -1.083 -11.335 -1.307 1.00 0.00 C ATOM 1561 C LYS A 98 -0.864 -12.673 -0.609 1.00 0.00 C ATOM 1562 O LYS A 98 0.307 -13.088 -0.479 1.00 0.00 O ATOM 1563 CB LYS A 98 -1.286 -11.558 -2.808 1.00 0.00 C ATOM 1564 CG LYS A 98 -2.672 -12.069 -3.166 1.00 0.00 C ATOM 1565 CD LYS A 98 -3.358 -11.159 -4.173 1.00 0.00 C ATOM 1566 CE LYS A 98 -3.188 -11.671 -5.595 1.00 0.00 C ATOM 1567 NZ LYS A 98 -3.940 -10.842 -6.577 1.00 0.00 N ATOM 1568 OXT LYS A 98 -1.865 -13.296 -0.196 1.00 0.00 O ATOM 0 H LYS A 98 0.750 -10.452 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.977 -10.870 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.107 -10.620 -3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.542 -12.270 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.595 -13.076 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.280 -12.139 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.419 -11.087 -3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.945 -10.153 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.130 -11.673 -5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.532 -12.704 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.798 -11.224 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.953 -10.861 -6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.594 -9.862 -6.541 1.00 0.00 H new TER 1582 LYS A 98