USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 869 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 85 MET CE :methyl 166:sc= -1.81 (180deg=-2.93!) USER MOD Set 1.2: A 103 THR OG1 : rot -167:sc= -0.64 USER MOD Set 2.1: A 23 THR OG1 : rot -147:sc= 0.834 USER MOD Set 2.2: A 72 ASN :FLIP amide:sc= -0.882 F(o=-1.3,f=-0.048) USER MOD Set 3.1: A 45 ASN : amide:sc= 0.966 K(o=1.8,f=-7.3!) USER MOD Set 3.2: A 66 THR OG1 : rot -39:sc= 0.788 USER MOD Set 3.3: A 68 MET CE :methyl -160:sc=-0.00102 (180deg=-0.0555) USER MOD Set 4.1: A 43 MET CE :methyl -172:sc= 0 (180deg=-0.00687) USER MOD Set 4.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 8 GLN : amide:sc= -1.74 K(o=-2.3,f=-3.4) USER MOD Set 5.2: A 37 MET CE :methyl 167:sc= -0.517 (180deg=-0.613) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.591 (180deg=-0.00295) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0902 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.41 F(o=-2.4!,f=-0.41) USER MOD Single : A 9 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=-0.016) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.0269 F(o=-0.67,f=-0.027) USER MOD Single : A 16 SER OG : rot -81:sc= 1.23 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.093 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.25) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -143:sc= 1.16 (180deg=0.181) USER MOD Single : A 38 MET CE :methyl -133:sc= 0 (180deg=-0.0898) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.171 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= -0.137 (180deg=-0.416) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc=-0.00467 K(o=-0.0047,f=-1.3) USER MOD Single : A 59 THR OG1 : rot 51:sc= 0.0472 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -118:sc= -0.648 (180deg=-0.776) USER MOD Single : A 69 MET CE :methyl 153:sc= -0.238 (180deg=-1.87) USER MOD Single : A 74 GLN : amide:sc= 0.843 K(o=0.84,f=-0.22) USER MOD Single : A 76 ASN : amide:sc= 1.72 K(o=1.7,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.0575 X(o=-0.058,f=-0.058) USER MOD Single : A 81 THR OG1 : rot 66:sc= 1.12 USER MOD Single : A 83 SER OG : rot 160:sc= -0.215 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.53) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 97 ASN : amide:sc= -0.0806 K(o=-0.081,f=-2!) USER MOD Single : A 98 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.23) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -1.04 K(o=-1,f=-2.7!) USER MOD Single : A 107 THR OG1 : rot 35:sc= 0.412 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 159:sc= 1.18 (180deg=0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.132 1.412 -7.267 1.00 0.00 N ATOM 2 CA MET A 1 16.751 0.961 -7.166 1.00 0.00 C ATOM 3 C MET A 1 16.192 1.211 -5.767 1.00 0.00 C ATOM 4 O MET A 1 16.954 1.515 -4.841 1.00 0.00 O ATOM 5 CB MET A 1 16.647 -0.528 -7.528 1.00 0.00 C ATOM 6 CG MET A 1 17.443 -1.469 -6.616 1.00 0.00 C ATOM 7 SD MET A 1 19.120 -1.793 -7.215 1.00 0.00 S ATOM 8 CE MET A 1 19.802 -2.541 -5.723 1.00 0.00 C ATOM 0 H1 MET A 1 18.233 2.040 -8.090 1.00 0.00 H new ATOM 0 H2 MET A 1 18.392 1.929 -6.403 1.00 0.00 H new ATOM 0 H3 MET A 1 18.758 0.590 -7.380 1.00 0.00 H new ATOM 0 HA MET A 1 16.155 1.536 -7.874 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.598 -0.821 -7.502 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.990 -0.663 -8.554 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.498 -1.036 -5.617 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.908 -2.414 -6.524 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.843 -2.813 -5.896 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.745 -1.829 -4.900 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.231 -3.434 -5.470 1.00 0.00 H new ATOM 18 N VAL A 2 14.879 1.018 -5.611 1.00 0.00 N ATOM 19 CA VAL A 2 14.224 1.131 -4.320 1.00 0.00 C ATOM 20 C VAL A 2 14.854 0.158 -3.326 1.00 0.00 C ATOM 21 O VAL A 2 15.124 -1.005 -3.652 1.00 0.00 O ATOM 22 CB VAL A 2 12.695 0.965 -4.450 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.250 -0.368 -5.059 1.00 0.00 C ATOM 24 CG2 VAL A 2 11.971 1.101 -3.101 1.00 0.00 C ATOM 0 H VAL A 2 14.249 0.780 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 2 14.379 2.136 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 2 12.420 1.774 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.162 -0.398 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.665 -0.467 -6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.606 -1.189 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.898 0.976 -3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.334 0.336 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.166 2.088 -2.681 1.00 0.00 H new ATOM 34 N THR A 3 15.031 0.632 -2.096 1.00 0.00 N ATOM 35 CA THR A 3 15.598 -0.135 -1.006 1.00 0.00 C ATOM 36 C THR A 3 14.613 -0.202 0.159 1.00 0.00 C ATOM 37 O THR A 3 13.664 0.583 0.218 1.00 0.00 O ATOM 38 CB THR A 3 16.920 0.521 -0.581 1.00 0.00 C ATOM 39 OG1 THR A 3 16.910 1.922 -0.760 1.00 0.00 O ATOM 40 CG2 THR A 3 18.081 -0.042 -1.377 1.00 0.00 C ATOM 0 H THR A 3 14.776 1.583 -1.830 1.00 0.00 H new ATOM 0 HA THR A 3 15.795 -1.158 -1.328 1.00 0.00 H new ATOM 0 HB THR A 3 17.037 0.300 0.480 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.770 2.294 -0.475 1.00 0.00 H new ATOM 0 HG21 THR A 3 19.007 0.437 -1.059 1.00 0.00 H new ATOM 0 HG22 THR A 3 18.152 -1.116 -1.207 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.920 0.148 -2.438 1.00 0.00 H new ATOM 48 N PRO A 4 14.832 -1.112 1.122 1.00 0.00 N ATOM 49 CA PRO A 4 14.024 -1.175 2.329 1.00 0.00 C ATOM 50 C PRO A 4 14.141 0.119 3.140 1.00 0.00 C ATOM 51 O PRO A 4 13.139 0.689 3.563 1.00 0.00 O ATOM 52 CB PRO A 4 14.534 -2.405 3.092 1.00 0.00 C ATOM 53 CG PRO A 4 15.914 -2.706 2.510 1.00 0.00 C ATOM 54 CD PRO A 4 15.814 -2.188 1.085 1.00 0.00 C ATOM 0 HA PRO A 4 12.960 -1.271 2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.595 -2.205 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.861 -3.253 2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.704 -2.202 3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.137 -3.773 2.535 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.779 -1.825 0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.502 -2.979 0.402 1.00 0.00 H new ATOM 62 N GLU A 5 15.365 0.564 3.406 1.00 0.00 N ATOM 63 CA GLU A 5 15.663 1.633 4.358 1.00 0.00 C ATOM 64 C GLU A 5 14.890 2.925 4.056 1.00 0.00 C ATOM 65 O GLU A 5 14.362 3.566 4.969 1.00 0.00 O ATOM 66 CB GLU A 5 17.171 1.883 4.329 1.00 0.00 C ATOM 67 CG GLU A 5 17.714 2.433 5.647 1.00 0.00 C ATOM 68 CD GLU A 5 19.236 2.326 5.648 1.00 0.00 C ATOM 69 OE1 GLU A 5 19.930 3.252 5.172 1.00 0.00 O ATOM 70 OE2 GLU A 5 19.737 1.256 6.058 1.00 0.00 O ATOM 0 H GLU A 5 16.198 0.184 2.956 1.00 0.00 H new ATOM 0 HA GLU A 5 15.343 1.319 5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.683 0.950 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.401 2.585 3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.411 3.472 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.298 1.875 6.486 1.00 0.00 H new ATOM 77 N GLN A 6 14.768 3.279 2.774 1.00 0.00 N ATOM 78 CA GLN A 6 14.072 4.467 2.286 1.00 0.00 C ATOM 79 C GLN A 6 12.539 4.373 2.375 1.00 0.00 C ATOM 80 O GLN A 6 11.844 5.169 1.740 1.00 0.00 O ATOM 81 CB GLN A 6 14.572 4.805 0.871 1.00 0.00 C ATOM 82 CG GLN A 6 14.238 3.786 -0.216 1.00 0.00 C ATOM 83 CD GLN A 6 14.666 4.311 -1.586 1.00 0.00 C ATOM 84 OE1 GLN A 6 13.859 4.103 -2.610 1.00 0.00 O flip ATOM 85 NE2 GLN A 6 15.689 4.962 -1.752 1.00 0.00 N flip ATOM 0 H GLN A 6 15.168 2.722 2.019 1.00 0.00 H new ATOM 0 HA GLN A 6 14.318 5.294 2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.154 5.768 0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.655 4.926 0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.743 2.843 -0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.167 3.582 -0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.320 5.129 -0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 6 15.911 5.337 -2.674 1.00 0.00 H new ATOM 94 N LEU A 7 12.000 3.407 3.131 1.00 0.00 N ATOM 95 CA LEU A 7 10.569 3.135 3.252 1.00 0.00 C ATOM 96 C LEU A 7 10.164 3.047 4.723 1.00 0.00 C ATOM 97 O LEU A 7 9.193 3.687 5.119 1.00 0.00 O ATOM 98 CB LEU A 7 10.228 1.826 2.529 1.00 0.00 C ATOM 99 CG LEU A 7 10.530 1.832 1.009 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.303 0.423 0.444 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.664 2.845 0.239 1.00 0.00 C ATOM 0 H LEU A 7 12.571 2.775 3.692 1.00 0.00 H new ATOM 0 HA LEU A 7 10.014 3.953 2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.786 1.013 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.170 1.610 2.675 1.00 0.00 H new ATOM 0 HG LEU A 7 11.569 2.135 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.514 0.421 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.966 -0.281 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.267 0.127 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.916 2.808 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.611 2.597 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.851 3.848 0.622 1.00 0.00 H new ATOM 113 N GLN A 8 10.928 2.316 5.546 1.00 0.00 N ATOM 114 CA GLN A 8 10.711 2.080 6.984 1.00 0.00 C ATOM 115 C GLN A 8 10.430 3.314 7.850 1.00 0.00 C ATOM 116 O GLN A 8 9.987 3.168 8.989 1.00 0.00 O ATOM 117 CB GLN A 8 11.953 1.358 7.543 1.00 0.00 C ATOM 118 CG GLN A 8 11.815 -0.159 7.612 1.00 0.00 C ATOM 119 CD GLN A 8 11.495 -0.745 6.262 1.00 0.00 C ATOM 120 OE1 GLN A 8 10.353 -0.810 5.836 1.00 0.00 O ATOM 121 NE2 GLN A 8 12.519 -1.128 5.543 1.00 0.00 N ATOM 0 H GLN A 8 11.766 1.844 5.207 1.00 0.00 H new ATOM 0 HA GLN A 8 9.796 1.490 7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.814 1.606 6.922 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.162 1.739 8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.741 -0.593 7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.029 -0.422 8.320 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.463 -1.063 5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.373 -1.492 4.601 1.00 0.00 H new ATOM 130 N HIS A 9 10.702 4.506 7.339 1.00 0.00 N ATOM 131 CA HIS A 9 10.576 5.771 8.059 1.00 0.00 C ATOM 132 C HIS A 9 9.785 6.820 7.268 1.00 0.00 C ATOM 133 O HIS A 9 9.838 7.999 7.612 1.00 0.00 O ATOM 134 CB HIS A 9 11.977 6.271 8.447 1.00 0.00 C ATOM 135 CG HIS A 9 12.752 5.271 9.268 1.00 0.00 C ATOM 136 ND1 HIS A 9 12.472 4.911 10.568 1.00 0.00 N ATOM 137 CD2 HIS A 9 13.796 4.501 8.831 1.00 0.00 C ATOM 138 CE1 HIS A 9 13.328 3.932 10.906 1.00 0.00 C ATOM 139 NE2 HIS A 9 14.159 3.653 9.884 1.00 0.00 N ATOM 0 H HIS A 9 11.028 4.626 6.380 1.00 0.00 H new ATOM 0 HA HIS A 9 9.998 5.599 8.967 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.538 6.502 7.542 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.883 7.200 9.010 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.255 4.540 7.854 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.347 3.437 11.866 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.907 2.959 9.878 1.00 0.00 H new ATOM 147 N HIS A 10 9.090 6.413 6.204 1.00 0.00 N ATOM 148 CA HIS A 10 8.404 7.296 5.272 1.00 0.00 C ATOM 149 C HIS A 10 6.938 6.847 5.185 1.00 0.00 C ATOM 150 O HIS A 10 6.643 5.645 5.169 1.00 0.00 O ATOM 151 CB HIS A 10 9.136 7.236 3.917 1.00 0.00 C ATOM 152 CG HIS A 10 10.612 7.550 3.991 1.00 0.00 C ATOM 153 ND1 HIS A 10 11.589 6.678 4.387 1.00 0.00 N flip ATOM 154 CD2 HIS A 10 11.228 8.733 3.647 1.00 0.00 C flip ATOM 155 CE1 HIS A 10 12.822 7.324 4.279 1.00 0.00 C flip ATOM 156 NE2 HIS A 10 12.547 8.563 3.838 1.00 0.00 N flip ATOM 0 H HIS A 10 8.989 5.427 5.964 1.00 0.00 H new ATOM 0 HA HIS A 10 8.413 8.336 5.600 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.010 6.240 3.493 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.662 7.937 3.230 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.742 9.629 3.291 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.795 6.913 4.503 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.250 9.283 3.670 1.00 0.00 H new ATOM 164 N ARG A 11 6.009 7.803 5.153 1.00 0.00 N ATOM 165 CA ARG A 11 4.574 7.589 4.953 1.00 0.00 C ATOM 166 C ARG A 11 4.229 7.762 3.484 1.00 0.00 C ATOM 167 O ARG A 11 4.778 8.628 2.802 1.00 0.00 O ATOM 168 CB ARG A 11 3.808 8.606 5.809 1.00 0.00 C ATOM 169 CG ARG A 11 2.312 8.807 5.481 1.00 0.00 C ATOM 170 CD ARG A 11 1.825 10.043 6.246 1.00 0.00 C ATOM 171 NE ARG A 11 0.372 10.047 6.459 1.00 0.00 N ATOM 172 CZ ARG A 11 -0.398 11.128 6.606 1.00 0.00 C ATOM 173 NH1 ARG A 11 -0.056 12.280 6.049 1.00 0.00 N ATOM 174 NH2 ARG A 11 -1.522 11.038 7.303 1.00 0.00 N ATOM 0 H ARG A 11 6.245 8.788 5.270 1.00 0.00 H new ATOM 0 HA ARG A 11 4.296 6.578 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.889 8.301 6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.308 9.570 5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.171 8.942 4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.736 7.928 5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.329 10.088 7.211 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.109 10.940 5.696 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.092 9.140 6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.802 12.347 5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.651 13.100 6.167 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.792 10.148 7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.116 11.859 7.420 1.00 0.00 H new ATOM 188 N PHE A 12 3.253 6.999 3.020 1.00 0.00 N ATOM 189 CA PHE A 12 2.722 7.093 1.684 1.00 0.00 C ATOM 190 C PHE A 12 1.220 7.073 1.745 1.00 0.00 C ATOM 191 O PHE A 12 0.584 6.600 2.680 1.00 0.00 O ATOM 192 CB PHE A 12 3.262 5.935 0.828 1.00 0.00 C ATOM 193 CG PHE A 12 4.721 6.019 0.448 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.734 5.799 1.404 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.068 6.250 -0.892 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.083 5.924 1.039 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.418 6.306 -1.257 1.00 0.00 C ATOM 198 CZ PHE A 12 7.424 6.214 -0.289 1.00 0.00 C ATOM 0 H PHE A 12 2.801 6.279 3.584 1.00 0.00 H new ATOM 0 HA PHE A 12 3.036 8.028 1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.101 5.003 1.370 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.671 5.879 -0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.471 5.534 2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.298 6.384 -1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.858 5.797 1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.686 6.421 -2.297 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.457 6.366 -0.564 1.00 0.00 H new ATOM 208 N VAL A 13 0.656 7.635 0.701 1.00 0.00 N ATOM 209 CA VAL A 13 -0.751 7.899 0.543 1.00 0.00 C ATOM 210 C VAL A 13 -1.113 7.559 -0.884 1.00 0.00 C ATOM 211 O VAL A 13 -0.386 7.954 -1.800 1.00 0.00 O ATOM 212 CB VAL A 13 -1.031 9.367 0.875 1.00 0.00 C ATOM 213 CG1 VAL A 13 -1.479 9.491 2.330 1.00 0.00 C ATOM 214 CG2 VAL A 13 0.133 10.305 0.559 1.00 0.00 C ATOM 0 H VAL A 13 1.201 7.937 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.358 7.297 1.219 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.838 9.694 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.677 10.537 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.387 8.907 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.693 9.117 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.142 11.327 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.009 10.005 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.364 10.253 -0.505 1.00 0.00 H new ATOM 224 N LEU A 14 -2.181 6.783 -1.052 1.00 0.00 N ATOM 225 CA LEU A 14 -2.716 6.426 -2.351 1.00 0.00 C ATOM 226 C LEU A 14 -3.208 7.718 -2.982 1.00 0.00 C ATOM 227 O LEU A 14 -4.201 8.298 -2.547 1.00 0.00 O ATOM 228 CB LEU A 14 -3.819 5.371 -2.200 1.00 0.00 C ATOM 229 CG LEU A 14 -4.476 4.939 -3.523 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.468 4.684 -4.643 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.265 3.642 -3.296 1.00 0.00 C ATOM 0 H LEU A 14 -2.703 6.381 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.965 5.971 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.398 4.491 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.590 5.763 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.120 5.762 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.997 4.383 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.904 5.596 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.783 3.891 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.732 3.332 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.588 2.860 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.036 3.812 -2.544 1.00 0.00 H new ATOM 243 N GLU A 15 -2.422 8.242 -3.913 1.00 0.00 N ATOM 244 CA GLU A 15 -2.667 9.532 -4.526 1.00 0.00 C ATOM 245 C GLU A 15 -3.628 9.351 -5.684 1.00 0.00 C ATOM 246 O GLU A 15 -4.581 10.114 -5.821 1.00 0.00 O ATOM 247 CB GLU A 15 -1.323 10.120 -4.943 1.00 0.00 C ATOM 248 CG GLU A 15 -1.448 11.571 -5.429 1.00 0.00 C ATOM 249 CD GLU A 15 -1.320 11.724 -6.950 1.00 0.00 C ATOM 250 OE1 GLU A 15 -1.603 10.776 -7.718 1.00 0.00 O ATOM 251 OE2 GLU A 15 -0.788 12.779 -7.369 1.00 0.00 O ATOM 0 H GLU A 15 -1.587 7.774 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.135 10.234 -3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.634 10.080 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.892 9.509 -5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.412 11.969 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.679 12.174 -4.946 1.00 0.00 H new ATOM 258 N SER A 16 -3.433 8.290 -6.458 1.00 0.00 N ATOM 259 CA SER A 16 -4.389 7.863 -7.450 1.00 0.00 C ATOM 260 C SER A 16 -4.265 6.350 -7.656 1.00 0.00 C ATOM 261 O SER A 16 -3.181 5.760 -7.599 1.00 0.00 O ATOM 262 CB SER A 16 -4.163 8.676 -8.723 1.00 0.00 C ATOM 263 OG SER A 16 -2.794 8.816 -9.067 1.00 0.00 O ATOM 0 H SER A 16 -2.600 7.704 -6.408 1.00 0.00 H new ATOM 0 HA SER A 16 -5.414 8.046 -7.128 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.690 8.198 -9.549 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.601 9.666 -8.595 1.00 0.00 H new ATOM 0 HG SER A 16 -2.395 9.537 -8.536 1.00 0.00 H new ATOM 269 N VAL A 17 -5.406 5.702 -7.861 1.00 0.00 N ATOM 270 CA VAL A 17 -5.493 4.323 -8.317 1.00 0.00 C ATOM 271 C VAL A 17 -5.034 4.302 -9.787 1.00 0.00 C ATOM 272 O VAL A 17 -4.801 5.355 -10.386 1.00 0.00 O ATOM 273 CB VAL A 17 -6.938 3.792 -8.105 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.962 2.258 -8.033 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.584 4.311 -6.803 1.00 0.00 C ATOM 0 H VAL A 17 -6.318 6.133 -7.710 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.847 3.654 -7.747 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.502 4.157 -8.963 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.986 1.917 -7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.573 1.844 -8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.344 1.923 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.592 3.906 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.986 3.994 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.631 5.400 -6.829 1.00 0.00 H new ATOM 285 N ASN A 18 -4.953 3.111 -10.388 1.00 0.00 N ATOM 286 CA ASN A 18 -4.403 2.817 -11.715 1.00 0.00 C ATOM 287 C ASN A 18 -4.818 3.766 -12.853 1.00 0.00 C ATOM 288 O ASN A 18 -4.102 3.846 -13.853 1.00 0.00 O ATOM 289 CB ASN A 18 -4.770 1.368 -12.093 1.00 0.00 C ATOM 290 CG ASN A 18 -6.087 1.280 -12.847 1.00 0.00 C ATOM 291 OD1 ASN A 18 -7.162 1.367 -12.264 1.00 0.00 O ATOM 292 ND2 ASN A 18 -6.032 1.124 -14.153 1.00 0.00 N ATOM 0 H ASN A 18 -5.294 2.267 -9.927 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.328 2.966 -11.618 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.975 0.943 -12.706 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.832 0.764 -11.188 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.893 1.074 -14.697 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.128 1.054 -14.621 1.00 0.00 H new ATOM 299 N GLY A 19 -5.960 4.448 -12.726 1.00 0.00 N ATOM 300 CA GLY A 19 -6.381 5.518 -13.615 1.00 0.00 C ATOM 301 C GLY A 19 -7.508 6.381 -13.038 1.00 0.00 C ATOM 302 O GLY A 19 -8.206 7.027 -13.817 1.00 0.00 O ATOM 0 H GLY A 19 -6.630 4.261 -11.980 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.524 6.154 -13.837 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.711 5.086 -14.560 1.00 0.00 H new ATOM 306 N LYS A 20 -7.774 6.360 -11.725 1.00 0.00 N ATOM 307 CA LYS A 20 -8.862 7.124 -11.099 1.00 0.00 C ATOM 308 C LYS A 20 -8.435 7.571 -9.710 1.00 0.00 C ATOM 309 O LYS A 20 -7.586 6.917 -9.103 1.00 0.00 O ATOM 310 CB LYS A 20 -10.160 6.285 -11.038 1.00 0.00 C ATOM 311 CG LYS A 20 -10.848 6.171 -12.411 1.00 0.00 C ATOM 312 CD LYS A 20 -12.360 5.921 -12.336 1.00 0.00 C ATOM 313 CE LYS A 20 -12.729 4.538 -11.794 1.00 0.00 C ATOM 314 NZ LYS A 20 -14.190 4.432 -11.604 1.00 0.00 N ATOM 0 H LYS A 20 -7.234 5.806 -11.060 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.071 8.006 -11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.928 5.287 -10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.849 6.738 -10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.670 7.089 -12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.384 5.360 -12.972 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.814 6.683 -11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.788 6.037 -13.332 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.389 3.767 -12.485 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.219 4.364 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.425 3.488 -11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.505 5.156 -10.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.670 4.577 -12.515 1.00 0.00 H new ATOM 328 N PRO A 21 -9.030 8.652 -9.186 1.00 0.00 N ATOM 329 CA PRO A 21 -8.745 9.113 -7.841 1.00 0.00 C ATOM 330 C PRO A 21 -9.361 8.173 -6.802 1.00 0.00 C ATOM 331 O PRO A 21 -10.147 7.283 -7.146 1.00 0.00 O ATOM 332 CB PRO A 21 -9.360 10.504 -7.785 1.00 0.00 C ATOM 333 CG PRO A 21 -10.539 10.448 -8.748 1.00 0.00 C ATOM 334 CD PRO A 21 -10.026 9.506 -9.828 1.00 0.00 C ATOM 0 HA PRO A 21 -7.679 9.132 -7.616 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.686 10.752 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.641 11.267 -8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.439 10.065 -8.268 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.785 11.431 -9.148 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.839 8.911 -10.243 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.585 10.064 -10.654 1.00 0.00 H new ATOM 342 N VAL A 22 -9.026 8.389 -5.531 1.00 0.00 N ATOM 343 CA VAL A 22 -9.543 7.620 -4.399 1.00 0.00 C ATOM 344 C VAL A 22 -10.294 8.511 -3.392 1.00 0.00 C ATOM 345 O VAL A 22 -10.231 9.746 -3.427 1.00 0.00 O ATOM 346 CB VAL A 22 -8.401 6.766 -3.802 1.00 0.00 C ATOM 347 CG1 VAL A 22 -7.458 7.576 -2.905 1.00 0.00 C ATOM 348 CG2 VAL A 22 -8.933 5.539 -3.046 1.00 0.00 C ATOM 0 H VAL A 22 -8.372 9.121 -5.253 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.309 6.921 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.820 6.417 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.677 6.923 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.004 8.379 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.022 8.003 -2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.096 4.968 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.576 5.866 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.505 4.911 -3.729 1.00 0.00 H new ATOM 358 N THR A 23 -11.045 7.862 -2.507 1.00 0.00 N ATOM 359 CA THR A 23 -11.926 8.442 -1.507 1.00 0.00 C ATOM 360 C THR A 23 -11.154 8.995 -0.288 1.00 0.00 C ATOM 361 O THR A 23 -9.924 8.957 -0.222 1.00 0.00 O ATOM 362 CB THR A 23 -12.946 7.360 -1.067 1.00 0.00 C ATOM 363 OG1 THR A 23 -12.940 6.207 -1.899 1.00 0.00 O ATOM 364 CG2 THR A 23 -14.377 7.908 -1.030 1.00 0.00 C ATOM 0 H THR A 23 -11.052 6.843 -2.470 1.00 0.00 H new ATOM 0 HA THR A 23 -12.442 9.294 -1.950 1.00 0.00 H new ATOM 0 HB THR A 23 -12.624 7.071 -0.067 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.846 5.836 -1.950 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.061 7.119 -0.717 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.431 8.736 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.658 8.259 -2.023 1.00 0.00 H new ATOM 372 N SER A 24 -11.927 9.458 0.696 1.00 0.00 N ATOM 373 CA SER A 24 -11.593 9.684 2.091 1.00 0.00 C ATOM 374 C SER A 24 -10.622 10.837 2.335 1.00 0.00 C ATOM 375 O SER A 24 -9.536 10.645 2.875 1.00 0.00 O ATOM 376 CB SER A 24 -11.175 8.379 2.763 1.00 0.00 C ATOM 377 OG SER A 24 -12.148 7.364 2.600 1.00 0.00 O ATOM 0 H SER A 24 -12.899 9.707 0.510 1.00 0.00 H new ATOM 0 HA SER A 24 -12.507 10.028 2.576 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.227 8.043 2.344 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.009 8.555 3.826 1.00 0.00 H new ATOM 0 HG SER A 24 -11.843 6.544 3.042 1.00 0.00 H new ATOM 383 N ASP A 25 -11.082 12.059 2.061 1.00 0.00 N ATOM 384 CA ASP A 25 -10.360 13.317 2.288 1.00 0.00 C ATOM 385 C ASP A 25 -9.706 13.401 3.677 1.00 0.00 C ATOM 386 O ASP A 25 -8.600 13.927 3.823 1.00 0.00 O ATOM 387 CB ASP A 25 -11.320 14.511 2.147 1.00 0.00 C ATOM 388 CG ASP A 25 -11.825 14.760 0.728 1.00 0.00 C ATOM 389 OD1 ASP A 25 -12.839 14.135 0.339 1.00 0.00 O ATOM 390 OD2 ASP A 25 -11.243 15.628 0.036 1.00 0.00 O ATOM 0 H ASP A 25 -12.007 12.208 1.658 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.571 13.347 1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.178 14.349 2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.815 15.410 2.501 1.00 0.00 H new ATOM 395 N LYS A 26 -10.375 12.907 4.725 1.00 0.00 N ATOM 396 CA LYS A 26 -9.892 13.010 6.105 1.00 0.00 C ATOM 397 C LYS A 26 -9.130 11.760 6.554 1.00 0.00 C ATOM 398 O LYS A 26 -8.393 11.817 7.539 1.00 0.00 O ATOM 399 CB LYS A 26 -11.063 13.372 7.041 1.00 0.00 C ATOM 400 CG LYS A 26 -10.551 13.813 8.418 1.00 0.00 C ATOM 401 CD LYS A 26 -11.580 14.527 9.301 1.00 0.00 C ATOM 402 CE LYS A 26 -10.863 14.847 10.620 1.00 0.00 C ATOM 403 NZ LYS A 26 -11.668 15.663 11.551 1.00 0.00 N ATOM 0 H LYS A 26 -11.269 12.423 4.639 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.161 13.817 6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.655 14.172 6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.723 12.512 7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.187 12.934 8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.697 14.475 8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.939 15.438 8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.450 13.894 9.474 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.591 13.913 11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.934 15.373 10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.122 15.840 12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.906 16.570 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.543 15.155 11.790 1.00 0.00 H new ATOM 417 N ASN A 27 -9.285 10.633 5.863 1.00 0.00 N ATOM 418 CA ASN A 27 -8.665 9.357 6.223 1.00 0.00 C ATOM 419 C ASN A 27 -8.407 8.514 4.968 1.00 0.00 C ATOM 420 O ASN A 27 -9.070 7.497 4.759 1.00 0.00 O ATOM 421 CB ASN A 27 -9.482 8.617 7.306 1.00 0.00 C ATOM 422 CG ASN A 27 -10.919 8.249 6.939 1.00 0.00 C ATOM 423 OD1 ASN A 27 -11.218 7.115 6.592 1.00 0.00 O ATOM 424 ND2 ASN A 27 -11.866 9.169 7.043 1.00 0.00 N ATOM 0 H ASN A 27 -9.856 10.579 5.020 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.692 9.551 6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.951 7.702 7.569 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.506 9.239 8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.835 8.929 6.834 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.626 10.117 7.332 1.00 0.00 H new ATOM 431 N PRO A 28 -7.458 8.911 4.102 1.00 0.00 N ATOM 432 CA PRO A 28 -7.201 8.201 2.853 1.00 0.00 C ATOM 433 C PRO A 28 -6.665 6.788 3.116 1.00 0.00 C ATOM 434 O PRO A 28 -6.107 6.540 4.192 1.00 0.00 O ATOM 435 CB PRO A 28 -6.148 9.025 2.100 1.00 0.00 C ATOM 436 CG PRO A 28 -5.463 9.787 3.220 1.00 0.00 C ATOM 437 CD PRO A 28 -6.586 10.066 4.211 1.00 0.00 C ATOM 0 HA PRO A 28 -8.121 8.092 2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.450 8.390 1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.603 9.696 1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.666 9.199 3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.011 10.710 2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.202 10.180 5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.114 10.987 3.965 1.00 0.00 H new ATOM 445 N PRO A 29 -6.722 5.901 2.107 1.00 0.00 N ATOM 446 CA PRO A 29 -5.909 4.698 2.048 1.00 0.00 C ATOM 447 C PRO A 29 -4.430 5.086 1.988 1.00 0.00 C ATOM 448 O PRO A 29 -3.832 5.281 0.927 1.00 0.00 O ATOM 449 CB PRO A 29 -6.396 3.890 0.842 1.00 0.00 C ATOM 450 CG PRO A 29 -7.195 4.879 -0.006 1.00 0.00 C ATOM 451 CD PRO A 29 -7.537 6.047 0.915 1.00 0.00 C ATOM 0 HA PRO A 29 -6.009 4.073 2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.558 3.477 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.015 3.049 1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.613 5.216 -0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.100 4.414 -0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.334 6.998 0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.597 6.040 1.169 1.00 0.00 H new ATOM 459 N GLU A 30 -3.840 5.269 3.160 1.00 0.00 N ATOM 460 CA GLU A 30 -2.424 5.507 3.343 1.00 0.00 C ATOM 461 C GLU A 30 -1.755 4.177 3.693 1.00 0.00 C ATOM 462 O GLU A 30 -2.407 3.237 4.167 1.00 0.00 O ATOM 463 CB GLU A 30 -2.230 6.627 4.376 1.00 0.00 C ATOM 464 CG GLU A 30 -1.994 6.187 5.819 1.00 0.00 C ATOM 465 CD GLU A 30 -2.455 7.274 6.783 1.00 0.00 C ATOM 466 OE1 GLU A 30 -1.790 8.331 6.880 1.00 0.00 O ATOM 467 OE2 GLU A 30 -3.567 7.131 7.346 1.00 0.00 O ATOM 0 H GLU A 30 -4.357 5.254 4.039 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.938 5.864 2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.383 7.238 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.111 7.268 4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.534 5.262 6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.936 5.978 5.975 1.00 0.00 H new ATOM 474 N ILE A 31 -0.451 4.110 3.469 1.00 0.00 N ATOM 475 CA ILE A 31 0.393 2.968 3.728 1.00 0.00 C ATOM 476 C ILE A 31 1.681 3.539 4.316 1.00 0.00 C ATOM 477 O ILE A 31 2.191 4.557 3.846 1.00 0.00 O ATOM 478 CB ILE A 31 0.567 2.157 2.417 1.00 0.00 C ATOM 479 CG1 ILE A 31 1.147 0.759 2.694 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.401 2.887 1.345 1.00 0.00 C ATOM 481 CD1 ILE A 31 1.165 -0.110 1.431 1.00 0.00 C ATOM 0 H ILE A 31 0.068 4.897 3.081 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.020 2.253 4.440 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.437 2.048 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.161 0.856 3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.556 0.266 3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.481 2.260 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.915 3.827 1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.398 3.091 1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.582 -1.089 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.148 -0.229 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.778 0.370 0.668 1.00 0.00 H new ATOM 493 N SER A 32 2.227 2.930 5.353 1.00 0.00 N ATOM 494 CA SER A 32 3.545 3.270 5.843 1.00 0.00 C ATOM 495 C SER A 32 4.259 1.957 6.133 1.00 0.00 C ATOM 496 O SER A 32 3.627 0.909 6.300 1.00 0.00 O ATOM 497 CB SER A 32 3.429 4.225 7.033 1.00 0.00 C ATOM 498 OG SER A 32 2.657 3.703 8.095 1.00 0.00 O ATOM 0 H SER A 32 1.767 2.186 5.877 1.00 0.00 H new ATOM 0 HA SER A 32 4.144 3.817 5.115 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.428 4.460 7.400 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.985 5.162 6.696 1.00 0.00 H new ATOM 0 HG SER A 32 2.621 4.356 8.825 1.00 0.00 H new ATOM 504 N PHE A 33 5.582 2.014 6.197 1.00 0.00 N ATOM 505 CA PHE A 33 6.406 0.853 6.476 1.00 0.00 C ATOM 506 C PHE A 33 7.166 1.113 7.764 1.00 0.00 C ATOM 507 O PHE A 33 7.255 2.259 8.219 1.00 0.00 O ATOM 508 CB PHE A 33 7.338 0.593 5.290 1.00 0.00 C ATOM 509 CG PHE A 33 6.622 0.491 3.959 1.00 0.00 C ATOM 510 CD1 PHE A 33 6.101 -0.749 3.557 1.00 0.00 C ATOM 511 CD2 PHE A 33 6.444 1.627 3.143 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.436 -0.866 2.326 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.752 1.514 1.924 1.00 0.00 C ATOM 514 CZ PHE A 33 5.256 0.264 1.512 1.00 0.00 C ATOM 0 H PHE A 33 6.114 2.873 6.056 1.00 0.00 H new ATOM 0 HA PHE A 33 5.800 -0.043 6.609 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.073 1.396 5.235 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.888 -0.331 5.468 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.212 -1.613 4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.839 2.583 3.454 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.062 -1.827 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.602 2.386 1.305 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.737 0.173 0.569 1.00 0.00 H new ATOM 524 N GLY A 34 7.728 0.069 8.354 1.00 0.00 N ATOM 525 CA GLY A 34 8.528 0.187 9.555 1.00 0.00 C ATOM 526 C GLY A 34 8.765 -1.197 10.129 1.00 0.00 C ATOM 527 O GLY A 34 7.847 -2.010 10.144 1.00 0.00 O ATOM 0 H GLY A 34 7.639 -0.887 8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.479 0.668 9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.019 0.816 10.286 1.00 0.00 H new ATOM 531 N GLU A 35 9.966 -1.413 10.659 1.00 0.00 N ATOM 532 CA GLU A 35 10.427 -2.528 11.466 1.00 0.00 C ATOM 533 C GLU A 35 10.272 -3.904 10.799 1.00 0.00 C ATOM 534 O GLU A 35 9.166 -4.366 10.536 1.00 0.00 O ATOM 535 CB GLU A 35 9.750 -2.423 12.837 1.00 0.00 C ATOM 536 CG GLU A 35 10.627 -3.010 13.937 1.00 0.00 C ATOM 537 CD GLU A 35 9.827 -3.926 14.852 1.00 0.00 C ATOM 538 OE1 GLU A 35 9.640 -5.105 14.477 1.00 0.00 O ATOM 539 OE2 GLU A 35 9.397 -3.503 15.948 1.00 0.00 O ATOM 0 H GLU A 35 10.716 -0.736 10.515 1.00 0.00 H new ATOM 0 HA GLU A 35 11.508 -2.454 11.586 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.536 -1.378 13.059 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.794 -2.946 12.813 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.450 -3.567 13.490 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.069 -2.203 14.522 1.00 0.00 H new ATOM 546 N LYS A 36 11.380 -4.599 10.522 1.00 0.00 N ATOM 547 CA LYS A 36 11.405 -5.858 9.758 1.00 0.00 C ATOM 548 C LYS A 36 10.828 -5.713 8.337 1.00 0.00 C ATOM 549 O LYS A 36 10.503 -6.723 7.704 1.00 0.00 O ATOM 550 CB LYS A 36 10.740 -7.020 10.537 1.00 0.00 C ATOM 551 CG LYS A 36 11.274 -7.225 11.966 1.00 0.00 C ATOM 552 CD LYS A 36 10.723 -8.512 12.612 1.00 0.00 C ATOM 553 CE LYS A 36 9.779 -8.316 13.803 1.00 0.00 C ATOM 554 NZ LYS A 36 10.432 -7.735 14.989 1.00 0.00 N ATOM 0 H LYS A 36 12.306 -4.299 10.827 1.00 0.00 H new ATOM 0 HA LYS A 36 12.457 -6.113 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.666 -6.838 10.588 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.881 -7.943 9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.363 -7.269 11.943 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.003 -6.367 12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.196 -9.082 11.847 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.566 -9.120 12.939 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.956 -7.669 13.500 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.345 -9.279 14.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.037 -8.167 15.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.455 -7.919 14.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.266 -6.709 15.009 1.00 0.00 H new ATOM 568 N MET A 37 10.723 -4.487 7.803 1.00 0.00 N ATOM 569 CA MET A 37 10.085 -4.185 6.519 1.00 0.00 C ATOM 570 C MET A 37 8.619 -4.641 6.534 1.00 0.00 C ATOM 571 O MET A 37 8.089 -5.141 5.539 1.00 0.00 O ATOM 572 CB MET A 37 10.927 -4.792 5.384 1.00 0.00 C ATOM 573 CG MET A 37 11.076 -3.935 4.128 1.00 0.00 C ATOM 574 SD MET A 37 9.809 -4.050 2.849 1.00 0.00 S ATOM 575 CE MET A 37 8.758 -2.673 3.335 1.00 0.00 C ATOM 0 H MET A 37 11.091 -3.657 8.268 1.00 0.00 H new ATOM 0 HA MET A 37 10.051 -3.110 6.342 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.922 -5.008 5.772 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.482 -5.745 5.099 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.135 -2.893 4.443 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.033 -4.184 3.669 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.056 -2.450 2.532 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.205 -2.938 4.237 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.375 -1.796 3.532 1.00 0.00 H new ATOM 585 N MET A 38 7.958 -4.516 7.687 1.00 0.00 N ATOM 586 CA MET A 38 6.518 -4.664 7.778 1.00 0.00 C ATOM 587 C MET A 38 5.820 -3.498 7.080 1.00 0.00 C ATOM 588 O MET A 38 6.413 -2.444 6.836 1.00 0.00 O ATOM 589 CB MET A 38 6.084 -4.719 9.246 1.00 0.00 C ATOM 590 CG MET A 38 5.923 -6.147 9.771 1.00 0.00 C ATOM 591 SD MET A 38 4.774 -6.284 11.172 1.00 0.00 S ATOM 592 CE MET A 38 3.171 -6.051 10.359 1.00 0.00 C ATOM 0 H MET A 38 8.411 -4.310 8.577 1.00 0.00 H new ATOM 0 HA MET A 38 6.235 -5.594 7.286 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.820 -4.195 9.856 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.139 -4.188 9.359 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.572 -6.785 8.960 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.899 -6.525 10.075 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.576 -5.336 10.927 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.327 -5.673 9.349 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.645 -7.004 10.312 1.00 0.00 H new ATOM 602 N ILE A 39 4.529 -3.697 6.824 1.00 0.00 N ATOM 603 CA ILE A 39 3.621 -2.760 6.191 1.00 0.00 C ATOM 604 C ILE A 39 2.466 -2.531 7.167 1.00 0.00 C ATOM 605 O ILE A 39 1.957 -3.498 7.746 1.00 0.00 O ATOM 606 CB ILE A 39 3.089 -3.344 4.856 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.155 -4.074 4.003 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.442 -2.209 4.051 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.594 -4.737 2.739 1.00 0.00 C ATOM 0 H ILE A 39 4.067 -4.572 7.070 1.00 0.00 H new ATOM 0 HA ILE A 39 4.128 -1.823 5.961 1.00 0.00 H new ATOM 0 HB ILE A 39 2.361 -4.114 5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.926 -3.360 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.638 -4.835 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.062 -2.602 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.619 -1.780 4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.185 -1.437 3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.402 -5.227 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.844 -5.477 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.137 -3.979 2.103 1.00 0.00 H new ATOM 621 N SER A 40 2.008 -1.285 7.274 1.00 0.00 N ATOM 622 CA SER A 40 0.732 -0.899 7.855 1.00 0.00 C ATOM 623 C SER A 40 -0.042 -0.090 6.820 1.00 0.00 C ATOM 624 O SER A 40 0.560 0.632 6.027 1.00 0.00 O ATOM 625 CB SER A 40 0.970 -0.032 9.092 1.00 0.00 C ATOM 626 OG SER A 40 1.589 -0.795 10.106 1.00 0.00 O ATOM 0 H SER A 40 2.544 -0.483 6.942 1.00 0.00 H new ATOM 0 HA SER A 40 0.171 -1.788 8.143 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.598 0.821 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.023 0.368 9.454 1.00 0.00 H new ATOM 0 HG SER A 40 1.739 -0.232 10.894 1.00 0.00 H new ATOM 632 N GLY A 41 -1.368 -0.173 6.853 1.00 0.00 N ATOM 633 CA GLY A 41 -2.262 0.649 6.054 1.00 0.00 C ATOM 634 C GLY A 41 -3.691 0.150 6.227 1.00 0.00 C ATOM 635 O GLY A 41 -3.932 -0.793 6.990 1.00 0.00 O ATOM 0 H GLY A 41 -1.861 -0.833 7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.189 1.692 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.974 0.606 5.004 1.00 0.00 H new ATOM 639 N SER A 42 -4.645 0.773 5.546 1.00 0.00 N ATOM 640 CA SER A 42 -5.965 0.225 5.307 1.00 0.00 C ATOM 641 C SER A 42 -6.372 0.622 3.888 1.00 0.00 C ATOM 642 O SER A 42 -5.866 1.599 3.338 1.00 0.00 O ATOM 643 CB SER A 42 -6.957 0.680 6.400 1.00 0.00 C ATOM 644 OG SER A 42 -8.240 0.115 6.180 1.00 0.00 O ATOM 0 H SER A 42 -4.514 1.698 5.136 1.00 0.00 H new ATOM 0 HA SER A 42 -5.968 -0.863 5.372 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.587 0.382 7.381 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.029 1.768 6.403 1.00 0.00 H new ATOM 0 HG SER A 42 -8.854 0.413 6.883 1.00 0.00 H new ATOM 650 N MET A 43 -7.258 -0.175 3.293 1.00 0.00 N ATOM 651 CA MET A 43 -8.093 0.217 2.169 1.00 0.00 C ATOM 652 C MET A 43 -9.516 0.387 2.694 1.00 0.00 C ATOM 653 O MET A 43 -10.129 1.431 2.495 1.00 0.00 O ATOM 654 CB MET A 43 -8.074 -0.839 1.056 1.00 0.00 C ATOM 655 CG MET A 43 -6.755 -0.932 0.285 1.00 0.00 C ATOM 656 SD MET A 43 -6.259 0.567 -0.605 1.00 0.00 S ATOM 657 CE MET A 43 -5.009 -0.148 -1.703 1.00 0.00 C ATOM 0 H MET A 43 -7.416 -1.138 3.591 1.00 0.00 H new ATOM 0 HA MET A 43 -7.714 1.145 1.740 1.00 0.00 H new ATOM 0 HB2 MET A 43 -8.292 -1.813 1.494 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.876 -0.619 0.352 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.963 -1.195 0.986 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.831 -1.750 -0.432 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.489 0.651 -2.231 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.292 -0.720 -1.114 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.493 -0.806 -2.425 1.00 0.00 H new ATOM 667 N CYS A 44 -10.036 -0.639 3.373 1.00 0.00 N ATOM 668 CA CYS A 44 -11.350 -0.646 4.011 1.00 0.00 C ATOM 669 C CYS A 44 -11.265 -1.600 5.209 1.00 0.00 C ATOM 670 O CYS A 44 -11.573 -1.244 6.346 1.00 0.00 O ATOM 671 CB CYS A 44 -12.417 -1.066 2.975 1.00 0.00 C ATOM 672 SG CYS A 44 -14.085 -1.444 3.602 1.00 0.00 S ATOM 0 H CYS A 44 -9.533 -1.518 3.496 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.643 0.340 4.373 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.506 -0.267 2.239 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.047 -1.945 2.447 1.00 0.00 H new ATOM 677 N ASN A 45 -10.765 -2.812 4.973 1.00 0.00 N ATOM 678 CA ASN A 45 -10.678 -3.894 5.951 1.00 0.00 C ATOM 679 C ASN A 45 -9.400 -3.883 6.771 1.00 0.00 C ATOM 680 O ASN A 45 -9.081 -4.881 7.420 1.00 0.00 O ATOM 681 CB ASN A 45 -10.865 -5.236 5.231 1.00 0.00 C ATOM 682 CG ASN A 45 -12.339 -5.535 5.268 1.00 0.00 C ATOM 683 OD1 ASN A 45 -12.850 -5.751 6.350 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.068 -5.397 4.183 1.00 0.00 N ATOM 0 H ASN A 45 -10.395 -3.077 4.060 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.477 -3.740 6.676 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.506 -5.179 4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.296 -6.024 5.724 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.084 -5.471 4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.618 -5.216 3.286 1.00 0.00 H new ATOM 691 N ARG A 46 -8.661 -2.772 6.780 1.00 0.00 N ATOM 692 CA ARG A 46 -7.304 -2.699 7.326 1.00 0.00 C ATOM 693 C ARG A 46 -6.391 -3.694 6.619 1.00 0.00 C ATOM 694 O ARG A 46 -6.840 -4.419 5.735 1.00 0.00 O ATOM 695 CB ARG A 46 -7.353 -2.812 8.866 1.00 0.00 C ATOM 696 CG ARG A 46 -7.280 -1.428 9.526 1.00 0.00 C ATOM 697 CD ARG A 46 -5.816 -1.091 9.804 1.00 0.00 C ATOM 698 NE ARG A 46 -5.626 0.223 10.428 1.00 0.00 N ATOM 699 CZ ARG A 46 -4.521 0.970 10.343 1.00 0.00 C ATOM 700 NH1 ARG A 46 -3.569 0.675 9.467 1.00 0.00 N ATOM 701 NH2 ARG A 46 -4.371 2.013 11.149 1.00 0.00 N ATOM 0 H ARG A 46 -8.993 -1.884 6.403 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.854 -1.727 7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.273 -3.314 9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.524 -3.428 9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.723 -0.675 8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.851 -1.422 10.454 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.392 -1.857 10.453 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.260 -1.123 8.867 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.403 0.598 10.973 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.676 -0.129 8.849 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.730 1.253 9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.097 2.241 11.829 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.530 2.587 11.089 1.00 0.00 H new ATOM 715 N PHE A 47 -5.092 -3.645 6.887 1.00 0.00 N ATOM 716 CA PHE A 47 -4.170 -4.733 6.619 1.00 0.00 C ATOM 717 C PHE A 47 -2.883 -4.517 7.396 1.00 0.00 C ATOM 718 O PHE A 47 -2.670 -3.463 8.015 1.00 0.00 O ATOM 719 CB PHE A 47 -3.882 -4.835 5.108 1.00 0.00 C ATOM 720 CG PHE A 47 -3.335 -3.571 4.481 1.00 0.00 C ATOM 721 CD1 PHE A 47 -1.952 -3.327 4.458 1.00 0.00 C ATOM 722 CD2 PHE A 47 -4.216 -2.655 3.880 1.00 0.00 C ATOM 723 CE1 PHE A 47 -1.453 -2.197 3.786 1.00 0.00 C ATOM 724 CE2 PHE A 47 -3.712 -1.546 3.178 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.327 -1.324 3.120 1.00 0.00 C ATOM 0 H PHE A 47 -4.644 -2.829 7.305 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.623 -5.671 6.941 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.171 -5.644 4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.803 -5.110 4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.274 -4.005 4.955 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.283 -2.804 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.391 -2.000 3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.390 -0.866 2.684 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.936 -0.484 2.565 1.00 0.00 H new ATOM 735 N SER A 48 -2.028 -5.533 7.351 1.00 0.00 N ATOM 736 CA SER A 48 -0.715 -5.539 7.963 1.00 0.00 C ATOM 737 C SER A 48 0.012 -6.821 7.560 1.00 0.00 C ATOM 738 O SER A 48 -0.616 -7.879 7.470 1.00 0.00 O ATOM 739 CB SER A 48 -0.870 -5.456 9.487 1.00 0.00 C ATOM 740 OG SER A 48 -2.015 -6.129 9.987 1.00 0.00 O ATOM 0 H SER A 48 -2.244 -6.405 6.868 1.00 0.00 H new ATOM 0 HA SER A 48 -0.132 -4.682 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.020 -5.876 9.956 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.920 -4.407 9.781 1.00 0.00 H new ATOM 0 HG SER A 48 -2.049 -6.036 10.962 1.00 0.00 H new ATOM 746 N GLY A 49 1.330 -6.777 7.346 1.00 0.00 N ATOM 747 CA GLY A 49 2.096 -7.997 7.113 1.00 0.00 C ATOM 748 C GLY A 49 3.589 -7.728 6.967 1.00 0.00 C ATOM 749 O GLY A 49 4.007 -6.573 6.864 1.00 0.00 O ATOM 0 H GLY A 49 1.881 -5.919 7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.934 -8.688 7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.728 -8.487 6.211 1.00 0.00 H new ATOM 753 N GLU A 50 4.391 -8.794 6.961 1.00 0.00 N ATOM 754 CA GLU A 50 5.821 -8.763 6.664 1.00 0.00 C ATOM 755 C GLU A 50 5.993 -8.516 5.171 1.00 0.00 C ATOM 756 O GLU A 50 5.929 -9.467 4.393 1.00 0.00 O ATOM 757 CB GLU A 50 6.486 -10.094 7.048 1.00 0.00 C ATOM 758 CG GLU A 50 6.998 -10.086 8.486 1.00 0.00 C ATOM 759 CD GLU A 50 7.546 -11.465 8.855 1.00 0.00 C ATOM 760 OE1 GLU A 50 8.504 -11.945 8.204 1.00 0.00 O ATOM 761 OE2 GLU A 50 7.009 -12.094 9.791 1.00 0.00 O ATOM 0 H GLU A 50 4.050 -9.732 7.170 1.00 0.00 H new ATOM 0 HA GLU A 50 6.295 -7.969 7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.770 -10.906 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.315 -10.294 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.779 -9.334 8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.191 -9.812 9.166 1.00 0.00 H new ATOM 768 N GLY A 51 6.175 -7.253 4.793 1.00 0.00 N ATOM 769 CA GLY A 51 6.310 -6.785 3.420 1.00 0.00 C ATOM 770 C GLY A 51 7.469 -7.415 2.689 1.00 0.00 C ATOM 771 O GLY A 51 7.272 -8.178 1.750 1.00 0.00 O ATOM 0 H GLY A 51 6.235 -6.493 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.388 -6.998 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.436 -5.702 3.423 1.00 0.00 H new ATOM 775 N LYS A 52 8.653 -7.079 3.182 1.00 0.00 N ATOM 776 CA LYS A 52 9.973 -7.534 2.746 1.00 0.00 C ATOM 777 C LYS A 52 10.372 -6.965 1.382 1.00 0.00 C ATOM 778 O LYS A 52 9.558 -6.900 0.466 1.00 0.00 O ATOM 779 CB LYS A 52 9.988 -9.068 2.766 1.00 0.00 C ATOM 780 CG LYS A 52 11.382 -9.668 2.592 1.00 0.00 C ATOM 781 CD LYS A 52 11.341 -11.205 2.612 1.00 0.00 C ATOM 782 CE LYS A 52 11.624 -11.795 3.996 1.00 0.00 C ATOM 783 NZ LYS A 52 10.588 -11.439 4.990 1.00 0.00 N ATOM 0 H LYS A 52 8.725 -6.427 3.963 1.00 0.00 H new ATOM 0 HA LYS A 52 10.726 -7.156 3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.567 -9.415 3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.340 -9.440 1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.811 -9.327 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.035 -9.310 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.361 -11.541 2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.073 -11.591 1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.689 -12.880 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.594 -11.442 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.702 -12.031 5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.688 -10.437 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.645 -11.598 4.581 1.00 0.00 H new ATOM 797 N LEU A 53 11.639 -6.558 1.246 1.00 0.00 N ATOM 798 CA LEU A 53 12.180 -5.998 0.012 1.00 0.00 C ATOM 799 C LEU A 53 13.650 -6.382 -0.129 1.00 0.00 C ATOM 800 O LEU A 53 14.523 -5.805 0.528 1.00 0.00 O ATOM 801 CB LEU A 53 11.970 -4.475 -0.020 1.00 0.00 C ATOM 802 CG LEU A 53 12.627 -3.774 -1.225 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.246 -4.399 -2.574 1.00 0.00 C ATOM 804 CD2 LEU A 53 12.205 -2.307 -1.228 1.00 0.00 C ATOM 0 H LEU A 53 12.322 -6.611 2.002 1.00 0.00 H new ATOM 0 HA LEU A 53 11.647 -6.413 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.900 -4.267 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.369 -4.045 0.899 1.00 0.00 H new ATOM 0 HG LEU A 53 13.705 -3.886 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.743 -3.858 -3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.558 -5.443 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.166 -4.341 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.663 -1.798 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.120 -2.241 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.530 -1.833 -0.302 1.00 0.00 H new ATOM 816 N SER A 54 13.922 -7.368 -0.982 1.00 0.00 N ATOM 817 CA SER A 54 15.273 -7.817 -1.298 1.00 0.00 C ATOM 818 C SER A 54 15.351 -8.438 -2.705 1.00 0.00 C ATOM 819 O SER A 54 16.277 -9.206 -2.980 1.00 0.00 O ATOM 820 CB SER A 54 15.757 -8.762 -0.181 1.00 0.00 C ATOM 821 OG SER A 54 17.168 -8.790 -0.071 1.00 0.00 O ATOM 0 H SER A 54 13.197 -7.884 -1.480 1.00 0.00 H new ATOM 0 HA SER A 54 15.950 -6.963 -1.332 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.327 -8.446 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.391 -9.770 -0.377 1.00 0.00 H new ATOM 0 HG SER A 54 17.428 -9.401 0.650 1.00 0.00 H new ATOM 827 N ASN A 55 14.391 -8.165 -3.598 1.00 0.00 N ATOM 828 CA ASN A 55 14.531 -8.436 -5.036 1.00 0.00 C ATOM 829 C ASN A 55 13.822 -7.409 -5.934 1.00 0.00 C ATOM 830 O ASN A 55 13.864 -7.556 -7.152 1.00 0.00 O ATOM 831 CB ASN A 55 14.110 -9.876 -5.391 1.00 0.00 C ATOM 832 CG ASN A 55 12.619 -10.156 -5.268 1.00 0.00 C ATOM 833 OD1 ASN A 55 11.847 -9.845 -6.160 1.00 0.00 O ATOM 834 ND2 ASN A 55 12.189 -10.817 -4.204 1.00 0.00 N ATOM 0 H ASN A 55 13.495 -7.750 -3.344 1.00 0.00 H new ATOM 0 HA ASN A 55 15.595 -8.331 -5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.422 -10.089 -6.414 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.649 -10.567 -4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.204 -11.071 -4.125 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.843 -11.072 -3.464 1.00 0.00 H new ATOM 841 N GLY A 56 13.222 -6.349 -5.377 1.00 0.00 N ATOM 842 CA GLY A 56 12.445 -5.368 -6.141 1.00 0.00 C ATOM 843 C GLY A 56 10.948 -5.669 -6.127 1.00 0.00 C ATOM 844 O GLY A 56 10.191 -5.128 -6.932 1.00 0.00 O ATOM 0 H GLY A 56 13.263 -6.148 -4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.616 -4.373 -5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.799 -5.352 -7.172 1.00 0.00 H new ATOM 848 N GLU A 57 10.504 -6.523 -5.204 1.00 0.00 N ATOM 849 CA GLU A 57 9.137 -7.004 -5.121 1.00 0.00 C ATOM 850 C GLU A 57 8.699 -6.964 -3.648 1.00 0.00 C ATOM 851 O GLU A 57 9.556 -6.966 -2.756 1.00 0.00 O ATOM 852 CB GLU A 57 9.135 -8.408 -5.720 1.00 0.00 C ATOM 853 CG GLU A 57 7.755 -9.010 -5.970 1.00 0.00 C ATOM 854 CD GLU A 57 7.921 -10.502 -6.199 1.00 0.00 C ATOM 855 OE1 GLU A 57 7.992 -11.229 -5.183 1.00 0.00 O ATOM 856 OE2 GLU A 57 8.040 -10.920 -7.372 1.00 0.00 O ATOM 0 H GLU A 57 11.107 -6.906 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 57 8.424 -6.392 -5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.678 -8.383 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.686 -9.070 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.101 -8.827 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.288 -8.542 -6.837 1.00 0.00 H new ATOM 863 N LEU A 58 7.387 -6.899 -3.388 1.00 0.00 N ATOM 864 CA LEU A 58 6.798 -6.710 -2.060 1.00 0.00 C ATOM 865 C LEU A 58 5.713 -7.771 -1.795 1.00 0.00 C ATOM 866 O LEU A 58 4.569 -7.607 -2.228 1.00 0.00 O ATOM 867 CB LEU A 58 6.276 -5.258 -1.973 1.00 0.00 C ATOM 868 CG LEU A 58 5.711 -4.847 -0.600 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.825 -4.766 0.448 1.00 0.00 C ATOM 870 CD2 LEU A 58 5.019 -3.478 -0.680 1.00 0.00 C ATOM 0 H LEU A 58 6.684 -6.979 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 58 7.540 -6.851 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.089 -4.580 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.498 -5.123 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 58 4.988 -5.608 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.400 -4.474 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.305 -5.740 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.563 -4.026 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.628 -3.210 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.738 -2.725 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.199 -3.526 -1.396 1.00 0.00 H new ATOM 882 N THR A 59 6.069 -8.851 -1.092 1.00 0.00 N ATOM 883 CA THR A 59 5.248 -10.037 -0.789 1.00 0.00 C ATOM 884 C THR A 59 4.927 -10.153 0.706 1.00 0.00 C ATOM 885 O THR A 59 5.779 -10.572 1.499 1.00 0.00 O ATOM 886 CB THR A 59 5.994 -11.322 -1.203 1.00 0.00 C ATOM 887 OG1 THR A 59 7.380 -11.228 -0.901 1.00 0.00 O ATOM 888 CG2 THR A 59 5.829 -11.650 -2.675 1.00 0.00 C ATOM 0 H THR A 59 7.003 -8.929 -0.690 1.00 0.00 H new ATOM 0 HA THR A 59 4.320 -9.921 -1.348 1.00 0.00 H new ATOM 0 HB THR A 59 5.542 -12.128 -0.625 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.493 -10.949 0.032 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.376 -12.564 -2.908 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.772 -11.792 -2.900 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.221 -10.830 -3.277 1.00 0.00 H new ATOM 896 N ALA A 60 3.689 -9.838 1.095 1.00 0.00 N ATOM 897 CA ALA A 60 3.244 -9.978 2.476 1.00 0.00 C ATOM 898 C ALA A 60 3.055 -11.447 2.841 1.00 0.00 C ATOM 899 O ALA A 60 2.278 -12.156 2.198 1.00 0.00 O ATOM 900 CB ALA A 60 1.939 -9.238 2.724 1.00 0.00 C ATOM 0 H ALA A 60 2.973 -9.481 0.462 1.00 0.00 H new ATOM 0 HA ALA A 60 4.022 -9.541 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.640 -9.366 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.077 -8.177 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.163 -9.639 2.072 1.00 0.00 H new ATOM 906 N LYS A 61 3.701 -11.884 3.921 1.00 0.00 N ATOM 907 CA LYS A 61 3.683 -13.264 4.406 1.00 0.00 C ATOM 908 C LYS A 61 2.393 -13.637 5.166 1.00 0.00 C ATOM 909 O LYS A 61 2.463 -14.243 6.236 1.00 0.00 O ATOM 910 CB LYS A 61 4.945 -13.487 5.259 1.00 0.00 C ATOM 911 CG LYS A 61 5.378 -14.962 5.233 1.00 0.00 C ATOM 912 CD LYS A 61 6.243 -15.357 6.435 1.00 0.00 C ATOM 913 CE LYS A 61 5.373 -15.522 7.688 1.00 0.00 C ATOM 914 NZ LYS A 61 6.114 -16.169 8.789 1.00 0.00 N ATOM 0 H LYS A 61 4.270 -11.268 4.502 1.00 0.00 H new ATOM 0 HA LYS A 61 3.688 -13.934 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.755 -12.860 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.752 -13.180 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.491 -15.594 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.933 -15.155 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.768 -16.289 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.003 -14.596 6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.017 -14.545 8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.493 -16.117 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.493 -16.263 9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.432 -17.112 8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.940 -15.589 9.040 1.00 0.00 H new ATOM 928 N GLY A 62 1.208 -13.300 4.649 1.00 0.00 N ATOM 929 CA GLY A 62 -0.082 -13.773 5.183 1.00 0.00 C ATOM 930 C GLY A 62 -1.150 -12.691 5.333 1.00 0.00 C ATOM 931 O GLY A 62 -2.338 -13.007 5.316 1.00 0.00 O ATOM 0 H GLY A 62 1.111 -12.686 3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.466 -14.554 4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.090 -14.231 6.157 1.00 0.00 H new ATOM 935 N LEU A 63 -0.726 -11.426 5.416 1.00 0.00 N ATOM 936 CA LEU A 63 -1.522 -10.205 5.345 1.00 0.00 C ATOM 937 C LEU A 63 -2.821 -10.239 6.183 1.00 0.00 C ATOM 938 O LEU A 63 -3.929 -10.379 5.667 1.00 0.00 O ATOM 939 CB LEU A 63 -1.736 -9.850 3.869 1.00 0.00 C ATOM 940 CG LEU A 63 -2.035 -8.364 3.646 1.00 0.00 C ATOM 941 CD1 LEU A 63 -0.801 -7.537 3.317 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.084 -8.177 2.546 1.00 0.00 C ATOM 0 H LEU A 63 0.264 -11.217 5.545 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.964 -9.400 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.846 -10.124 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.561 -10.444 3.474 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.422 -7.997 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.089 -6.496 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.088 -7.605 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.341 -7.917 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.279 -7.114 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.714 -8.603 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.007 -8.681 2.834 1.00 0.00 H new ATOM 954 N ALA A 64 -2.691 -10.009 7.490 1.00 0.00 N ATOM 955 CA ALA A 64 -3.744 -10.082 8.514 1.00 0.00 C ATOM 956 C ALA A 64 -4.860 -9.027 8.346 1.00 0.00 C ATOM 957 O ALA A 64 -4.634 -7.855 8.662 1.00 0.00 O ATOM 958 CB ALA A 64 -3.071 -9.937 9.883 1.00 0.00 C ATOM 0 H ALA A 64 -1.790 -9.750 7.892 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.247 -11.043 8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.827 -9.987 10.667 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.351 -10.743 10.021 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.556 -8.978 9.936 1.00 0.00 H new ATOM 964 N MET A 65 -6.027 -9.368 7.780 1.00 0.00 N ATOM 965 CA MET A 65 -7.115 -8.421 7.430 1.00 0.00 C ATOM 966 C MET A 65 -8.329 -8.582 8.373 1.00 0.00 C ATOM 967 O MET A 65 -8.333 -9.489 9.216 1.00 0.00 O ATOM 968 CB MET A 65 -7.530 -8.628 5.954 1.00 0.00 C ATOM 969 CG MET A 65 -6.956 -7.607 4.970 1.00 0.00 C ATOM 970 SD MET A 65 -8.123 -6.895 3.788 1.00 0.00 S ATOM 971 CE MET A 65 -6.938 -6.036 2.729 1.00 0.00 C ATOM 0 H MET A 65 -6.254 -10.334 7.544 1.00 0.00 H new ATOM 0 HA MET A 65 -6.743 -7.404 7.555 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.219 -9.625 5.642 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.618 -8.599 5.891 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.509 -6.794 5.542 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.151 -8.085 4.411 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.135 -4.964 2.758 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.926 -6.229 3.085 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.038 -6.396 1.705 1.00 0.00 H new ATOM 981 N THR A 66 -9.354 -7.725 8.238 1.00 0.00 N ATOM 982 CA THR A 66 -10.573 -7.686 9.072 1.00 0.00 C ATOM 983 C THR A 66 -11.840 -7.955 8.233 1.00 0.00 C ATOM 984 O THR A 66 -11.733 -8.521 7.144 1.00 0.00 O ATOM 985 CB THR A 66 -10.621 -6.400 9.929 1.00 0.00 C ATOM 986 OG1 THR A 66 -10.952 -5.272 9.166 1.00 0.00 O ATOM 987 CG2 THR A 66 -9.310 -6.088 10.661 1.00 0.00 C ATOM 0 H THR A 66 -9.359 -7.007 7.513 1.00 0.00 H new ATOM 0 HA THR A 66 -10.538 -8.505 9.791 1.00 0.00 H new ATOM 0 HB THR A 66 -11.394 -6.610 10.668 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.513 -5.328 8.291 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.426 -5.171 11.240 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.063 -6.911 11.331 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.509 -5.959 9.933 1.00 0.00 H new ATOM 995 N ARG A 67 -13.040 -7.671 8.766 1.00 0.00 N ATOM 996 CA ARG A 67 -14.337 -7.827 8.084 1.00 0.00 C ATOM 997 C ARG A 67 -15.271 -6.676 8.486 1.00 0.00 C ATOM 998 O ARG A 67 -16.166 -6.826 9.322 1.00 0.00 O ATOM 999 CB ARG A 67 -14.956 -9.220 8.315 1.00 0.00 C ATOM 1000 CG ARG A 67 -14.912 -9.677 9.780 1.00 0.00 C ATOM 1001 CD ARG A 67 -13.762 -10.643 10.057 1.00 0.00 C ATOM 1002 NE ARG A 67 -13.428 -10.630 11.486 1.00 0.00 N ATOM 1003 CZ ARG A 67 -12.962 -11.637 12.224 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -12.706 -12.823 11.678 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -12.755 -11.423 13.515 1.00 0.00 N ATOM 0 H ARG A 67 -13.138 -7.314 9.716 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.178 -7.768 7.007 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.992 -9.208 7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.429 -9.949 7.700 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.813 -8.805 10.426 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.856 -10.158 10.036 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.041 -11.651 9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.889 -10.360 9.469 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.569 -9.745 11.972 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.866 -12.971 10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.350 -13.584 12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.952 -10.507 13.918 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.399 -12.174 14.106 1.00 0.00 H new ATOM 1019 N MET A 68 -15.024 -5.504 7.917 1.00 0.00 N ATOM 1020 CA MET A 68 -15.702 -4.232 8.087 1.00 0.00 C ATOM 1021 C MET A 68 -16.122 -3.715 6.710 1.00 0.00 C ATOM 1022 O MET A 68 -15.624 -4.158 5.673 1.00 0.00 O ATOM 1023 CB MET A 68 -14.754 -3.203 8.730 1.00 0.00 C ATOM 1024 CG MET A 68 -14.138 -3.682 10.045 1.00 0.00 C ATOM 1025 SD MET A 68 -13.232 -2.422 10.987 1.00 0.00 S ATOM 1026 CE MET A 68 -11.967 -1.910 9.788 1.00 0.00 C ATOM 0 H MET A 68 -14.257 -5.415 7.251 1.00 0.00 H new ATOM 0 HA MET A 68 -16.570 -4.371 8.731 1.00 0.00 H new ATOM 0 HB2 MET A 68 -13.954 -2.968 8.027 1.00 0.00 H new ATOM 0 HB3 MET A 68 -15.302 -2.278 8.910 1.00 0.00 H new ATOM 0 HG2 MET A 68 -14.933 -4.080 10.675 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.459 -4.507 9.829 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.143 -1.427 10.313 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.595 -2.785 9.255 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.403 -1.210 9.075 1.00 0.00 H new ATOM 1036 N MET A 69 -17.018 -2.735 6.713 1.00 0.00 N ATOM 1037 CA MET A 69 -17.473 -1.987 5.559 1.00 0.00 C ATOM 1038 C MET A 69 -16.991 -0.549 5.740 1.00 0.00 C ATOM 1039 O MET A 69 -16.656 -0.107 6.841 1.00 0.00 O ATOM 1040 CB MET A 69 -19.009 -2.016 5.429 1.00 0.00 C ATOM 1041 CG MET A 69 -19.629 -3.399 5.202 1.00 0.00 C ATOM 1042 SD MET A 69 -19.586 -4.520 6.632 1.00 0.00 S ATOM 1043 CE MET A 69 -18.549 -5.817 5.913 1.00 0.00 C ATOM 0 H MET A 69 -17.470 -2.427 7.574 1.00 0.00 H new ATOM 0 HA MET A 69 -17.071 -2.432 4.649 1.00 0.00 H new ATOM 0 HB2 MET A 69 -19.440 -1.589 6.334 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.298 -1.368 4.602 1.00 0.00 H new ATOM 0 HG2 MET A 69 -20.667 -3.267 4.897 1.00 0.00 H new ATOM 0 HG3 MET A 69 -19.111 -3.878 4.371 1.00 0.00 H new ATOM 0 HE1 MET A 69 -18.013 -6.337 6.707 1.00 0.00 H new ATOM 0 HE2 MET A 69 -19.176 -6.527 5.374 1.00 0.00 H new ATOM 0 HE3 MET A 69 -17.832 -5.370 5.224 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.009 0.194 4.645 1.00 0.00 N ATOM 1054 CA CYS A 70 -16.418 1.524 4.491 1.00 0.00 C ATOM 1055 C CYS A 70 -17.407 2.604 4.079 1.00 0.00 C ATOM 1056 O CYS A 70 -17.030 3.772 4.036 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.250 1.441 3.504 1.00 0.00 C ATOM 1058 SG CYS A 70 -15.323 0.033 2.354 1.00 0.00 S ATOM 0 H CYS A 70 -17.460 -0.128 3.789 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.064 1.831 5.475 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.215 2.364 2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -14.319 1.384 4.068 1.00 0.00 H new ATOM 1063 N ALA A 71 -18.651 2.235 3.763 1.00 0.00 N ATOM 1064 CA ALA A 71 -19.673 3.109 3.201 1.00 0.00 C ATOM 1065 C ALA A 71 -19.314 3.718 1.835 1.00 0.00 C ATOM 1066 O ALA A 71 -20.150 4.436 1.290 1.00 0.00 O ATOM 1067 CB ALA A 71 -20.124 4.160 4.224 1.00 0.00 C ATOM 0 H ALA A 71 -18.983 1.280 3.899 1.00 0.00 H new ATOM 0 HA ALA A 71 -20.527 2.468 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -20.887 4.798 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -20.536 3.661 5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -19.270 4.769 4.521 1.00 0.00 H new ATOM 1073 N ASN A 72 -18.178 3.372 1.208 1.00 0.00 N ATOM 1074 CA ASN A 72 -18.010 3.589 -0.238 1.00 0.00 C ATOM 1075 C ASN A 72 -17.453 2.307 -0.862 1.00 0.00 C ATOM 1076 O ASN A 72 -16.567 1.695 -0.263 1.00 0.00 O ATOM 1077 CB ASN A 72 -17.069 4.788 -0.432 1.00 0.00 C ATOM 1078 CG ASN A 72 -16.707 5.074 -1.880 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -15.471 4.852 -2.277 1.00 0.00 O flip ATOM 1080 ND2 ASN A 72 -17.525 5.542 -2.662 1.00 0.00 N flip ATOM 0 H ASN A 72 -17.374 2.948 1.671 1.00 0.00 H new ATOM 0 HA ASN A 72 -18.956 3.814 -0.730 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.538 5.675 -0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.153 4.610 0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.483 5.714 -2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.249 5.759 -3.620 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.876 1.922 -2.080 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.551 0.610 -2.637 1.00 0.00 C ATOM 1089 C PRO A 73 -16.144 0.560 -3.201 1.00 0.00 C ATOM 1090 O PRO A 73 -15.515 -0.489 -3.198 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.565 0.386 -3.754 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.902 1.790 -4.213 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.912 2.542 -2.895 1.00 0.00 C ATOM 0 HA PRO A 73 -17.594 -0.157 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.145 -0.211 -4.564 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.448 -0.142 -3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.159 2.185 -4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.866 1.836 -4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.708 3.602 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.886 2.471 -2.411 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.649 1.700 -3.673 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.313 1.786 -4.246 1.00 0.00 C ATOM 1103 C GLN A 74 -13.257 1.392 -3.204 1.00 0.00 C ATOM 1104 O GLN A 74 -12.319 0.682 -3.531 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.053 3.182 -4.827 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.939 3.136 -5.882 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.589 4.518 -6.433 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -13.448 5.385 -6.600 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.325 4.752 -6.725 1.00 0.00 N ATOM 0 H GLN A 74 -16.159 2.583 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.242 1.078 -5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.968 3.570 -5.275 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.774 3.867 -4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.047 2.688 -5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.249 2.490 -6.703 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.625 4.024 -6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.047 5.661 -7.095 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.426 1.801 -1.941 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.544 1.380 -0.847 1.00 0.00 C ATOM 1120 C LEU A 75 -12.712 -0.122 -0.590 1.00 0.00 C ATOM 1121 O LEU A 75 -11.753 -0.820 -0.268 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.882 2.146 0.444 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.728 3.676 0.373 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.341 4.317 1.618 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.267 4.126 0.251 1.00 0.00 C ATOM 0 H LEU A 75 -14.174 2.430 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.515 1.596 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.910 1.915 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.243 1.772 1.244 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.249 4.000 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.229 5.400 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.400 4.064 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.832 3.945 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.224 5.214 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.705 3.777 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.832 3.707 -0.656 1.00 0.00 H new ATOM 1137 N ASN A 76 -13.952 -0.601 -0.702 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.343 -1.979 -0.455 1.00 0.00 C ATOM 1139 C ASN A 76 -13.693 -2.932 -1.456 1.00 0.00 C ATOM 1140 O ASN A 76 -13.159 -3.942 -1.029 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.878 -2.099 -0.472 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.384 -3.175 0.449 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -16.990 -4.153 0.022 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -16.227 -2.985 1.741 1.00 0.00 N ATOM 0 H ASN A 76 -14.738 -0.012 -0.978 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.986 -2.270 0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.317 -1.144 -0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.211 -2.309 -1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -16.612 -3.656 2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.720 -2.166 2.078 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.704 -2.629 -2.758 1.00 0.00 N ATOM 1152 CA GLU A 77 -13.055 -3.452 -3.786 1.00 0.00 C ATOM 1153 C GLU A 77 -11.538 -3.362 -3.712 1.00 0.00 C ATOM 1154 O GLU A 77 -10.836 -4.297 -4.094 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.528 -3.030 -5.179 1.00 0.00 C ATOM 1156 CG GLU A 77 -12.946 -1.717 -5.718 1.00 0.00 C ATOM 1157 CD GLU A 77 -13.284 -1.514 -7.186 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -14.412 -1.058 -7.498 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -12.431 -1.885 -8.027 1.00 0.00 O ATOM 0 H GLU A 77 -14.166 -1.800 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.339 -4.488 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.284 -3.828 -5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.614 -2.942 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.334 -0.881 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.863 -1.719 -5.591 1.00 0.00 H new ATOM 1166 N LEU A 78 -11.036 -2.216 -3.264 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.614 -1.966 -3.073 1.00 0.00 C ATOM 1168 C LEU A 78 -9.061 -2.950 -2.044 1.00 0.00 C ATOM 1169 O LEU A 78 -7.958 -3.456 -2.232 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.391 -0.503 -2.655 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.699 0.406 -3.686 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -9.298 0.338 -5.098 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -8.773 1.862 -3.205 1.00 0.00 C ATOM 0 H LEU A 78 -11.621 -1.418 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.075 -2.121 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.359 -0.066 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.798 -0.496 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.673 0.044 -3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.750 1.010 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.225 -0.682 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.345 0.638 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.284 2.511 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.817 2.158 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.271 1.953 -2.242 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.843 -3.301 -1.017 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.496 -4.330 -0.037 1.00 0.00 C ATOM 1187 C ASP A 79 -9.263 -5.693 -0.680 1.00 0.00 C ATOM 1188 O ASP A 79 -8.473 -6.469 -0.149 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.562 -4.427 1.073 1.00 0.00 C ATOM 1190 CG ASP A 79 -11.318 -5.767 1.140 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -12.048 -6.167 0.213 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -11.241 -6.419 2.200 1.00 0.00 O ATOM 0 H ASP A 79 -10.750 -2.869 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.553 -4.022 0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.079 -4.252 2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.287 -3.626 0.930 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.920 -5.972 -1.803 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.818 -7.234 -2.513 1.00 0.00 C ATOM 1199 C ASN A 80 -8.826 -7.142 -3.673 1.00 0.00 C ATOM 1200 O ASN A 80 -8.334 -8.153 -4.161 1.00 0.00 O ATOM 1201 CB ASN A 80 -11.210 -7.609 -3.022 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.174 -8.882 -3.845 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -11.196 -9.979 -3.304 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -11.218 -8.771 -5.159 1.00 0.00 N ATOM 0 H ASN A 80 -10.552 -5.308 -2.251 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.445 -8.003 -1.836 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.885 -7.740 -2.176 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.610 -6.795 -3.626 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.271 -9.608 -5.740 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.199 -7.849 -5.594 1.00 0.00 H new ATOM 1211 N THR A 81 -8.533 -5.926 -4.128 1.00 0.00 N ATOM 1212 CA THR A 81 -7.495 -5.671 -5.105 1.00 0.00 C ATOM 1213 C THR A 81 -6.151 -5.928 -4.411 1.00 0.00 C ATOM 1214 O THR A 81 -5.384 -6.796 -4.838 1.00 0.00 O ATOM 1215 CB THR A 81 -7.645 -4.249 -5.674 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.985 -4.001 -6.096 1.00 0.00 O ATOM 1217 CG2 THR A 81 -6.723 -4.049 -6.880 1.00 0.00 C ATOM 0 H THR A 81 -9.020 -5.084 -3.820 1.00 0.00 H new ATOM 0 HA THR A 81 -7.565 -6.333 -5.968 1.00 0.00 H new ATOM 0 HB THR A 81 -7.377 -3.556 -4.876 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.578 -3.999 -5.316 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.845 -3.037 -7.267 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.687 -4.199 -6.575 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.980 -4.768 -7.658 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.895 -5.208 -3.313 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.603 -5.169 -2.648 1.00 0.00 C ATOM 1227 C ILE A 82 -4.255 -6.522 -2.030 1.00 0.00 C ATOM 1228 O ILE A 82 -3.104 -6.947 -2.078 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.599 -4.012 -1.616 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -3.175 -3.585 -1.225 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -5.388 -4.322 -0.325 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -2.393 -2.883 -2.344 1.00 0.00 C ATOM 0 H ILE A 82 -6.599 -4.627 -2.859 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.818 -4.971 -3.378 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.103 -3.196 -2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.232 -2.918 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.619 -4.467 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.338 -3.465 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.429 -4.527 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.954 -5.193 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.400 -2.617 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.300 -3.553 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.923 -1.980 -2.647 1.00 0.00 H new ATOM 1244 N SER A 83 -5.236 -7.200 -1.437 1.00 0.00 N ATOM 1245 CA SER A 83 -5.059 -8.459 -0.733 1.00 0.00 C ATOM 1246 C SER A 83 -4.282 -9.454 -1.596 1.00 0.00 C ATOM 1247 O SER A 83 -3.287 -10.033 -1.145 1.00 0.00 O ATOM 1248 CB SER A 83 -6.449 -8.967 -0.337 1.00 0.00 C ATOM 1249 OG SER A 83 -7.293 -9.035 -1.463 1.00 0.00 O ATOM 0 H SER A 83 -6.203 -6.875 -1.436 1.00 0.00 H new ATOM 0 HA SER A 83 -4.463 -8.326 0.170 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.365 -9.953 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.885 -8.304 0.411 1.00 0.00 H new ATOM 0 HG SER A 83 -8.040 -9.641 -1.276 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.726 -9.597 -2.841 1.00 0.00 N ATOM 1256 CA GLU A 84 -4.128 -10.466 -3.832 1.00 0.00 C ATOM 1257 C GLU A 84 -2.775 -9.941 -4.317 1.00 0.00 C ATOM 1258 O GLU A 84 -1.872 -10.758 -4.462 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.100 -10.668 -5.006 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.389 -12.151 -5.272 1.00 0.00 C ATOM 1261 CD GLU A 84 -6.293 -12.768 -4.198 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -7.530 -12.621 -4.293 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -5.772 -13.394 -3.240 1.00 0.00 O ATOM 0 H GLU A 84 -5.539 -9.092 -3.193 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.937 -11.431 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.035 -10.150 -4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.681 -10.215 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.863 -12.257 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.449 -12.701 -5.312 1.00 0.00 H new ATOM 1270 N MET A 85 -2.582 -8.627 -4.541 1.00 0.00 N ATOM 1271 CA MET A 85 -1.321 -8.107 -5.082 1.00 0.00 C ATOM 1272 C MET A 85 -0.175 -8.494 -4.143 1.00 0.00 C ATOM 1273 O MET A 85 0.891 -8.926 -4.576 1.00 0.00 O ATOM 1274 CB MET A 85 -1.388 -6.576 -5.264 1.00 0.00 C ATOM 1275 CG MET A 85 -2.328 -6.133 -6.391 1.00 0.00 C ATOM 1276 SD MET A 85 -2.672 -4.343 -6.459 1.00 0.00 S ATOM 1277 CE MET A 85 -1.144 -3.706 -7.207 1.00 0.00 C ATOM 0 H MET A 85 -3.284 -7.911 -4.355 1.00 0.00 H new ATOM 0 HA MET A 85 -1.145 -8.545 -6.065 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.716 -6.121 -4.329 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.386 -6.198 -5.468 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.897 -6.440 -7.344 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.274 -6.664 -6.283 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.301 -2.679 -7.537 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.340 -3.732 -6.471 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.873 -4.324 -8.063 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.420 -8.387 -2.837 1.00 0.00 N ATOM 1288 CA LEU A 86 0.575 -8.627 -1.802 1.00 0.00 C ATOM 1289 C LEU A 86 0.810 -10.116 -1.568 1.00 0.00 C ATOM 1290 O LEU A 86 1.884 -10.482 -1.087 1.00 0.00 O ATOM 1291 CB LEU A 86 0.079 -8.015 -0.489 1.00 0.00 C ATOM 1292 CG LEU A 86 0.160 -6.486 -0.340 1.00 0.00 C ATOM 1293 CD1 LEU A 86 1.535 -6.089 0.218 1.00 0.00 C ATOM 1294 CD2 LEU A 86 -0.102 -5.669 -1.593 1.00 0.00 C ATOM 0 H LEU A 86 -1.334 -8.126 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 86 1.511 -8.176 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.961 -8.311 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.648 -8.462 0.326 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.656 -6.245 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.587 -5.005 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.680 -6.554 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.316 -6.426 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.016 -4.608 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.628 -5.933 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.106 -5.879 -1.961 1.00 0.00 H new ATOM 1306 N LYS A 87 -0.180 -10.978 -1.820 1.00 0.00 N ATOM 1307 CA LYS A 87 -0.014 -12.408 -1.689 1.00 0.00 C ATOM 1308 C LYS A 87 0.773 -12.918 -2.890 1.00 0.00 C ATOM 1309 O LYS A 87 1.795 -13.574 -2.695 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.388 -13.077 -1.581 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.781 -13.247 -0.107 1.00 0.00 C ATOM 1312 CD LYS A 87 -3.046 -14.095 0.037 1.00 0.00 C ATOM 1313 CE LYS A 87 -3.429 -14.198 1.519 1.00 0.00 C ATOM 1314 NZ LYS A 87 -4.652 -14.997 1.728 1.00 0.00 N ATOM 0 H LYS A 87 -1.113 -10.694 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 87 0.541 -12.652 -0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.135 -12.474 -2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.367 -14.049 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.962 -13.716 0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.944 -12.268 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.862 -13.648 -0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.878 -15.090 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.605 -14.647 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.578 -13.197 1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.870 -15.038 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.446 -14.556 1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.503 -15.961 1.367 1.00 0.00 H new ATOM 1328 N GLU A 88 0.324 -12.575 -4.100 1.00 0.00 N ATOM 1329 CA GLU A 88 0.974 -12.904 -5.363 1.00 0.00 C ATOM 1330 C GLU A 88 2.443 -12.492 -5.303 1.00 0.00 C ATOM 1331 O GLU A 88 3.309 -13.327 -5.557 1.00 0.00 O ATOM 1332 CB GLU A 88 0.260 -12.194 -6.528 1.00 0.00 C ATOM 1333 CG GLU A 88 -1.144 -12.744 -6.827 1.00 0.00 C ATOM 1334 CD GLU A 88 -1.112 -14.052 -7.612 1.00 0.00 C ATOM 1335 OE1 GLU A 88 -0.912 -13.999 -8.846 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -1.359 -15.119 -7.004 1.00 0.00 O ATOM 0 H GLU A 88 -0.535 -12.040 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 88 0.915 -13.979 -5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.182 -11.131 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.873 -12.283 -7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.675 -12.902 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.708 -12.001 -7.391 1.00 0.00 H new ATOM 1343 N GLY A 89 2.703 -11.240 -4.918 1.00 0.00 N ATOM 1344 CA GLY A 89 3.988 -10.587 -5.062 1.00 0.00 C ATOM 1345 C GLY A 89 3.867 -9.577 -6.181 1.00 0.00 C ATOM 1346 O GLY A 89 3.301 -9.885 -7.231 1.00 0.00 O ATOM 0 H GLY A 89 1.998 -10.643 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.274 -10.095 -4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.765 -11.317 -5.288 1.00 0.00 H new ATOM 1350 N ALA A 90 4.357 -8.366 -5.933 1.00 0.00 N ATOM 1351 CA ALA A 90 4.117 -7.210 -6.780 1.00 0.00 C ATOM 1352 C ALA A 90 5.398 -6.414 -6.933 1.00 0.00 C ATOM 1353 O ALA A 90 6.152 -6.293 -5.964 1.00 0.00 O ATOM 1354 CB ALA A 90 3.037 -6.361 -6.121 1.00 0.00 C ATOM 0 H ALA A 90 4.942 -8.161 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 90 3.790 -7.521 -7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.837 -5.484 -6.737 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.125 -6.948 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.376 -6.042 -5.135 1.00 0.00 H new ATOM 1360 N GLN A 91 5.615 -5.872 -8.129 1.00 0.00 N ATOM 1361 CA GLN A 91 6.796 -5.130 -8.501 1.00 0.00 C ATOM 1362 C GLN A 91 6.680 -3.804 -7.770 1.00 0.00 C ATOM 1363 O GLN A 91 5.623 -3.176 -7.851 1.00 0.00 O ATOM 1364 CB GLN A 91 6.818 -4.895 -10.021 1.00 0.00 C ATOM 1365 CG GLN A 91 6.777 -6.161 -10.896 1.00 0.00 C ATOM 1366 CD GLN A 91 5.348 -6.604 -11.220 1.00 0.00 C ATOM 1367 OE1 GLN A 91 4.618 -5.925 -11.938 1.00 0.00 O ATOM 1368 NE2 GLN A 91 4.913 -7.741 -10.711 1.00 0.00 N ATOM 0 H GLN A 91 4.939 -5.946 -8.890 1.00 0.00 H new ATOM 0 HA GLN A 91 7.711 -5.662 -8.242 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.967 -4.266 -10.285 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.719 -4.333 -10.270 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.315 -5.974 -11.825 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.297 -6.970 -10.383 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.524 -8.300 -10.116 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.966 -8.061 -10.913 1.00 0.00 H new ATOM 1377 N VAL A 92 7.719 -3.390 -7.053 1.00 0.00 N ATOM 1378 CA VAL A 92 7.698 -2.185 -6.242 1.00 0.00 C ATOM 1379 C VAL A 92 8.829 -1.293 -6.742 1.00 0.00 C ATOM 1380 O VAL A 92 9.968 -1.743 -6.873 1.00 0.00 O ATOM 1381 CB VAL A 92 7.729 -2.564 -4.743 1.00 0.00 C ATOM 1382 CG1 VAL A 92 8.927 -3.420 -4.327 1.00 0.00 C ATOM 1383 CG2 VAL A 92 7.678 -1.333 -3.836 1.00 0.00 C ATOM 0 H VAL A 92 8.608 -3.889 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 92 6.780 -1.606 -6.340 1.00 0.00 H new ATOM 0 HB VAL A 92 6.831 -3.168 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.866 -3.637 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.919 -4.354 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 92 9.850 -2.879 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.702 -1.648 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.537 -0.694 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.759 -0.779 -4.026 1.00 0.00 H new ATOM 1393 N ASP A 93 8.508 -0.040 -7.062 1.00 0.00 N ATOM 1394 CA ASP A 93 9.429 0.902 -7.682 1.00 0.00 C ATOM 1395 C ASP A 93 9.156 2.281 -7.089 1.00 0.00 C ATOM 1396 O ASP A 93 8.206 2.966 -7.477 1.00 0.00 O ATOM 1397 CB ASP A 93 9.270 0.861 -9.212 1.00 0.00 C ATOM 1398 CG ASP A 93 10.621 1.036 -9.904 1.00 0.00 C ATOM 1399 OD1 ASP A 93 11.500 0.151 -9.769 1.00 0.00 O ATOM 1400 OD2 ASP A 93 10.835 2.099 -10.533 1.00 0.00 O ATOM 0 H ASP A 93 7.582 0.353 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 93 10.467 0.641 -7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.824 -0.088 -9.510 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.588 1.649 -9.532 1.00 0.00 H new ATOM 1405 N LEU A 94 9.909 2.651 -6.052 1.00 0.00 N ATOM 1406 CA LEU A 94 9.830 3.965 -5.428 1.00 0.00 C ATOM 1407 C LEU A 94 10.974 4.790 -5.982 1.00 0.00 C ATOM 1408 O LEU A 94 12.134 4.598 -5.605 1.00 0.00 O ATOM 1409 CB LEU A 94 9.828 3.863 -3.900 1.00 0.00 C ATOM 1410 CG LEU A 94 9.666 5.168 -3.100 1.00 0.00 C ATOM 1411 CD1 LEU A 94 10.980 5.755 -2.586 1.00 0.00 C ATOM 1412 CD2 LEU A 94 8.836 6.253 -3.778 1.00 0.00 C ATOM 0 H LEU A 94 10.598 2.036 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 94 8.888 4.460 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.023 3.188 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.763 3.394 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 94 9.089 4.829 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.777 6.672 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.467 5.035 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.634 5.976 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.784 7.129 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.301 6.528 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.829 5.879 -3.963 1.00 0.00 H new ATOM 1424 N THR A 95 10.609 5.667 -6.911 1.00 0.00 N ATOM 1425 CA THR A 95 11.525 6.581 -7.570 1.00 0.00 C ATOM 1426 C THR A 95 11.810 7.741 -6.605 1.00 0.00 C ATOM 1427 O THR A 95 11.421 7.709 -5.432 1.00 0.00 O ATOM 1428 CB THR A 95 10.962 6.975 -8.960 1.00 0.00 C ATOM 1429 OG1 THR A 95 11.937 7.553 -9.802 1.00 0.00 O ATOM 1430 CG2 THR A 95 9.829 8.004 -8.908 1.00 0.00 C ATOM 0 H THR A 95 9.645 5.761 -7.232 1.00 0.00 H new ATOM 0 HA THR A 95 12.491 6.127 -7.792 1.00 0.00 H new ATOM 0 HB THR A 95 10.600 6.022 -9.345 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.531 7.781 -10.664 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.492 8.225 -9.921 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.998 7.601 -8.329 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.190 8.919 -8.438 1.00 0.00 H new ATOM 1438 N ALA A 96 12.445 8.800 -7.102 1.00 0.00 N ATOM 1439 CA ALA A 96 12.884 9.937 -6.312 1.00 0.00 C ATOM 1440 C ALA A 96 11.772 10.574 -5.457 1.00 0.00 C ATOM 1441 O ALA A 96 12.097 11.190 -4.445 1.00 0.00 O ATOM 1442 CB ALA A 96 13.529 10.952 -7.255 1.00 0.00 C ATOM 0 H ALA A 96 12.672 8.889 -8.092 1.00 0.00 H new ATOM 0 HA ALA A 96 13.610 9.581 -5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.867 11.816 -6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.381 10.493 -7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.800 11.272 -7.999 1.00 0.00 H new ATOM 1448 N ASN A 97 10.480 10.419 -5.798 1.00 0.00 N ATOM 1449 CA ASN A 97 9.376 10.712 -4.868 1.00 0.00 C ATOM 1450 C ASN A 97 8.030 10.025 -5.170 1.00 0.00 C ATOM 1451 O ASN A 97 7.061 10.302 -4.456 1.00 0.00 O ATOM 1452 CB ASN A 97 9.166 12.230 -4.699 1.00 0.00 C ATOM 1453 CG ASN A 97 8.868 12.968 -5.993 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.182 12.480 -6.886 1.00 0.00 O ATOM 1455 ND2 ASN A 97 9.373 14.180 -6.131 1.00 0.00 N ATOM 0 H ASN A 97 10.175 10.091 -6.714 1.00 0.00 H new ATOM 0 HA ASN A 97 9.715 10.269 -3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.344 12.396 -4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 97 10.059 12.660 -4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 97 9.193 14.714 -6.982 1.00 0.00 H new ATOM 0 HD22 ASN A 97 9.943 14.583 -5.387 1.00 0.00 H new ATOM 1462 N GLN A 98 7.919 9.114 -6.146 1.00 0.00 N ATOM 1463 CA GLN A 98 6.650 8.475 -6.527 1.00 0.00 C ATOM 1464 C GLN A 98 6.746 6.949 -6.387 1.00 0.00 C ATOM 1465 O GLN A 98 7.685 6.339 -6.903 1.00 0.00 O ATOM 1466 CB GLN A 98 6.277 8.864 -7.965 1.00 0.00 C ATOM 1467 CG GLN A 98 4.805 8.540 -8.272 1.00 0.00 C ATOM 1468 CD GLN A 98 4.578 8.290 -9.757 1.00 0.00 C ATOM 1469 OE1 GLN A 98 4.027 9.124 -10.473 1.00 0.00 O ATOM 1470 NE2 GLN A 98 5.018 7.154 -10.268 1.00 0.00 N ATOM 0 H GLN A 98 8.715 8.796 -6.699 1.00 0.00 H new ATOM 0 HA GLN A 98 5.867 8.826 -5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.455 9.929 -8.113 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.921 8.333 -8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.501 7.660 -7.705 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.175 9.366 -7.942 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.474 6.467 -9.667 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.902 6.964 -11.263 1.00 0.00 H new ATOM 1479 N LEU A 99 5.782 6.312 -5.724 1.00 0.00 N ATOM 1480 CA LEU A 99 5.667 4.860 -5.671 1.00 0.00 C ATOM 1481 C LEU A 99 4.935 4.345 -6.908 1.00 0.00 C ATOM 1482 O LEU A 99 3.880 4.880 -7.253 1.00 0.00 O ATOM 1483 CB LEU A 99 4.832 4.455 -4.445 1.00 0.00 C ATOM 1484 CG LEU A 99 4.891 2.959 -4.083 1.00 0.00 C ATOM 1485 CD1 LEU A 99 6.311 2.409 -4.001 1.00 0.00 C ATOM 1486 CD2 LEU A 99 4.240 2.726 -2.713 1.00 0.00 C ATOM 0 H LEU A 99 5.052 6.798 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 99 6.671 4.439 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.170 5.035 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.793 4.729 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 99 4.363 2.442 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.277 1.351 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.805 2.531 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.868 2.952 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.286 1.666 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.773 3.300 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.199 3.046 -2.746 1.00 0.00 H new ATOM 1498 N THR A 100 5.403 3.239 -7.476 1.00 0.00 N ATOM 1499 CA THR A 100 4.641 2.377 -8.355 1.00 0.00 C ATOM 1500 C THR A 100 4.633 1.007 -7.687 1.00 0.00 C ATOM 1501 O THR A 100 5.703 0.447 -7.441 1.00 0.00 O ATOM 1502 CB THR A 100 5.329 2.363 -9.728 1.00 0.00 C ATOM 1503 OG1 THR A 100 5.208 3.637 -10.335 1.00 0.00 O ATOM 1504 CG2 THR A 100 4.744 1.331 -10.688 1.00 0.00 C ATOM 0 H THR A 100 6.358 2.912 -7.328 1.00 0.00 H new ATOM 0 HA THR A 100 3.615 2.708 -8.515 1.00 0.00 H new ATOM 0 HB THR A 100 6.370 2.099 -9.542 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.649 3.626 -11.210 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.276 1.375 -11.638 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.849 0.334 -10.259 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.688 1.545 -10.853 1.00 0.00 H new ATOM 1512 N LEU A 101 3.454 0.471 -7.359 1.00 0.00 N ATOM 1513 CA LEU A 101 3.249 -0.968 -7.349 1.00 0.00 C ATOM 1514 C LEU A 101 2.623 -1.324 -8.671 1.00 0.00 C ATOM 1515 O LEU A 101 1.682 -0.637 -9.056 1.00 0.00 O ATOM 1516 CB LEU A 101 2.265 -1.376 -6.247 1.00 0.00 C ATOM 1517 CG LEU A 101 2.938 -1.692 -4.916 1.00 0.00 C ATOM 1518 CD1 LEU A 101 3.647 -3.046 -4.906 1.00 0.00 C ATOM 1519 CD2 LEU A 101 3.950 -0.648 -4.508 1.00 0.00 C ATOM 0 H LEU A 101 2.632 1.016 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 101 4.199 -1.473 -7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.544 -0.572 -6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.704 -2.250 -6.578 1.00 0.00 H new ATOM 0 HG LEU A 101 2.112 -1.707 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.105 -3.210 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.924 -3.837 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.419 -3.058 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.396 -0.927 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.730 -0.581 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.456 0.319 -4.409 1.00 0.00 H new ATOM 1531 N ALA A 102 3.055 -2.421 -9.279 1.00 0.00 N ATOM 1532 CA ALA A 102 2.380 -3.078 -10.386 1.00 0.00 C ATOM 1533 C ALA A 102 2.313 -4.572 -10.057 1.00 0.00 C ATOM 1534 O ALA A 102 3.095 -5.080 -9.248 1.00 0.00 O ATOM 1535 CB ALA A 102 3.149 -2.799 -11.681 1.00 0.00 C ATOM 0 H ALA A 102 3.916 -2.893 -9.004 1.00 0.00 H new ATOM 0 HA ALA A 102 1.367 -2.703 -10.530 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.647 -3.290 -12.515 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.183 -1.724 -11.859 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.165 -3.184 -11.591 1.00 0.00 H new ATOM 1541 N THR A 103 1.335 -5.280 -10.604 1.00 0.00 N ATOM 1542 CA THR A 103 1.110 -6.701 -10.505 1.00 0.00 C ATOM 1543 C THR A 103 0.145 -7.103 -11.622 1.00 0.00 C ATOM 1544 O THR A 103 -0.494 -6.245 -12.232 1.00 0.00 O ATOM 1545 CB THR A 103 0.464 -7.046 -9.151 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.729 -6.113 -8.129 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.027 -8.366 -8.687 1.00 0.00 C ATOM 0 H THR A 103 0.621 -4.828 -11.176 1.00 0.00 H new ATOM 0 HA THR A 103 2.059 -7.230 -10.591 1.00 0.00 H new ATOM 0 HB THR A 103 -0.613 -7.058 -9.319 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.468 -6.493 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.584 -8.633 -7.728 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.796 -9.138 -9.421 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.108 -8.282 -8.577 1.00 0.00 H new ATOM 1555 N ALA A 104 -0.071 -8.408 -11.807 1.00 0.00 N ATOM 1556 CA ALA A 104 -1.038 -8.952 -12.754 1.00 0.00 C ATOM 1557 C ALA A 104 -2.452 -8.378 -12.569 1.00 0.00 C ATOM 1558 O ALA A 104 -3.218 -8.307 -13.535 1.00 0.00 O ATOM 1559 CB ALA A 104 -1.074 -10.478 -12.631 1.00 0.00 C ATOM 0 H ALA A 104 0.434 -9.128 -11.290 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.709 -8.659 -13.751 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.797 -10.883 -13.339 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.086 -10.884 -12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.365 -10.755 -11.618 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.821 -8.000 -11.341 1.00 0.00 N ATOM 1566 CA LYS A 105 -4.090 -7.348 -11.045 1.00 0.00 C ATOM 1567 C LYS A 105 -4.132 -5.920 -11.580 1.00 0.00 C ATOM 1568 O LYS A 105 -4.880 -5.659 -12.523 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.377 -7.420 -9.535 1.00 0.00 C ATOM 1570 CG LYS A 105 -4.987 -8.775 -9.144 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.456 -8.852 -9.582 1.00 0.00 C ATOM 1572 CE LYS A 105 -7.120 -10.162 -9.157 1.00 0.00 C ATOM 1573 NZ LYS A 105 -8.580 -10.084 -9.361 1.00 0.00 N ATOM 0 H LYS A 105 -2.236 -8.142 -10.518 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.886 -7.883 -11.563 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.453 -7.262 -8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.059 -6.618 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.421 -9.582 -9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.916 -8.915 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.005 -8.013 -9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.515 -8.752 -10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.709 -10.990 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.902 -10.365 -8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.020 -10.980 -9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.969 -9.305 -8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.781 -9.912 -10.367 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.406 -4.985 -10.969 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.386 -3.584 -11.380 1.00 0.00 C ATOM 1589 C GLN A 106 -2.074 -2.929 -10.954 1.00 0.00 C ATOM 1590 O GLN A 106 -1.141 -3.599 -10.508 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.639 -2.839 -10.886 1.00 0.00 C ATOM 1592 CG GLN A 106 -4.666 -2.620 -9.380 1.00 0.00 C ATOM 1593 CD GLN A 106 -5.694 -1.549 -9.029 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -5.407 -0.553 -8.378 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -6.926 -1.742 -9.452 1.00 0.00 N ATOM 0 H GLN A 106 -2.809 -5.182 -10.166 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.425 -3.527 -12.468 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.697 -1.872 -11.386 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.525 -3.403 -11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.912 -3.553 -8.873 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.679 -2.318 -9.030 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.155 -2.575 -9.994 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.652 -1.058 -9.238 1.00 0.00 H new ATOM 1604 N THR A 107 -2.032 -1.606 -11.057 1.00 0.00 N ATOM 1605 CA THR A 107 -0.940 -0.750 -10.649 1.00 0.00 C ATOM 1606 C THR A 107 -1.531 0.381 -9.797 1.00 0.00 C ATOM 1607 O THR A 107 -2.718 0.693 -9.935 1.00 0.00 O ATOM 1608 CB THR A 107 -0.194 -0.302 -11.922 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.879 0.566 -11.671 1.00 0.00 O ATOM 1610 CG2 THR A 107 -1.121 0.391 -12.922 1.00 0.00 C ATOM 0 H THR A 107 -2.809 -1.077 -11.452 1.00 0.00 H new ATOM 0 HA THR A 107 -0.196 -1.244 -10.023 1.00 0.00 H new ATOM 0 HB THR A 107 0.193 -1.232 -12.339 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.308 0.320 -10.825 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.550 0.688 -13.802 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.914 -0.295 -13.219 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.560 1.275 -12.459 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.751 0.954 -8.882 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.113 2.114 -8.077 1.00 0.00 C ATOM 1620 C LEU A 108 -0.112 3.239 -8.305 1.00 0.00 C ATOM 1621 O LEU A 108 1.012 3.002 -8.765 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.078 1.758 -6.581 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.196 0.868 -6.025 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -3.586 1.380 -6.387 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -2.074 -0.606 -6.387 1.00 0.00 C ATOM 0 H LEU A 108 0.186 0.608 -8.675 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.116 2.426 -8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.127 1.265 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.082 2.690 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.064 0.935 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.340 0.713 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.722 2.382 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.691 1.411 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.907 -1.158 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.093 -0.717 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.135 -1.000 -5.998 1.00 0.00 H new ATOM 1637 N THR A 109 -0.480 4.439 -7.856 1.00 0.00 N ATOM 1638 CA THR A 109 0.433 5.554 -7.718 1.00 0.00 C ATOM 1639 C THR A 109 0.245 6.148 -6.316 1.00 0.00 C ATOM 1640 O THR A 109 -0.783 6.761 -6.009 1.00 0.00 O ATOM 1641 CB THR A 109 0.219 6.548 -8.870 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.143 5.877 -10.120 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.413 7.487 -8.935 1.00 0.00 C ATOM 0 H THR A 109 -1.436 4.658 -7.576 1.00 0.00 H new ATOM 0 HA THR A 109 1.475 5.246 -7.798 1.00 0.00 H new ATOM 0 HB THR A 109 -0.712 7.084 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.005 6.533 -10.835 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.273 8.198 -9.749 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.502 8.028 -7.993 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.321 6.910 -9.110 1.00 0.00 H new ATOM 1651 N TYR A 110 1.213 5.907 -5.426 1.00 0.00 N ATOM 1652 CA TYR A 110 1.242 6.538 -4.107 1.00 0.00 C ATOM 1653 C TYR A 110 2.205 7.727 -4.146 1.00 0.00 C ATOM 1654 O TYR A 110 3.029 7.838 -5.059 1.00 0.00 O ATOM 1655 CB TYR A 110 1.639 5.553 -2.993 1.00 0.00 C ATOM 1656 CG TYR A 110 0.707 4.382 -2.724 1.00 0.00 C ATOM 1657 CD1 TYR A 110 0.677 3.277 -3.599 1.00 0.00 C ATOM 1658 CD2 TYR A 110 -0.051 4.342 -1.538 1.00 0.00 C ATOM 1659 CE1 TYR A 110 -0.101 2.148 -3.287 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -0.876 3.242 -1.246 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.900 2.134 -2.123 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.672 1.049 -1.845 1.00 0.00 O ATOM 0 H TYR A 110 1.993 5.273 -5.600 1.00 0.00 H new ATOM 0 HA TYR A 110 0.235 6.880 -3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.623 5.151 -3.235 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.745 6.118 -2.067 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.254 3.298 -4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.002 5.167 -0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.087 1.288 -3.940 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.488 3.244 -0.356 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.159 1.200 -1.008 1.00 0.00 H new ATOM 1672 N LYS A 111 2.129 8.595 -3.132 1.00 0.00 N ATOM 1673 CA LYS A 111 2.982 9.772 -2.992 1.00 0.00 C ATOM 1674 C LYS A 111 3.733 9.721 -1.668 1.00 0.00 C ATOM 1675 O LYS A 111 3.161 9.284 -0.675 1.00 0.00 O ATOM 1676 CB LYS A 111 2.112 11.035 -3.078 1.00 0.00 C ATOM 1677 CG LYS A 111 2.909 12.267 -3.516 1.00 0.00 C ATOM 1678 CD LYS A 111 3.250 12.238 -5.014 1.00 0.00 C ATOM 1679 CE LYS A 111 2.016 12.773 -5.749 1.00 0.00 C ATOM 1680 NZ LYS A 111 1.971 12.500 -7.200 1.00 0.00 N ATOM 0 H LYS A 111 1.457 8.494 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 111 3.718 9.791 -3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.297 10.864 -3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.658 11.227 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.335 13.166 -3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.831 12.326 -2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 111 4.125 12.853 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.487 11.225 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.126 12.344 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.964 13.851 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.989 12.568 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.558 13.196 -7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.334 11.543 -7.385 1.00 0.00 H new ATOM 1694 N LEU A 112 4.967 10.237 -1.647 1.00 0.00 N ATOM 1695 CA LEU A 112 5.927 10.283 -0.536 1.00 0.00 C ATOM 1696 C LEU A 112 5.509 11.243 0.601 1.00 0.00 C ATOM 1697 O LEU A 112 6.353 11.685 1.375 1.00 0.00 O ATOM 1698 CB LEU A 112 7.302 10.655 -1.161 1.00 0.00 C ATOM 1699 CG LEU A 112 8.533 10.755 -0.233 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.709 9.516 0.644 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.809 10.927 -1.057 1.00 0.00 C ATOM 0 H LEU A 112 5.355 10.673 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 112 5.974 9.313 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.527 9.916 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.188 11.615 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 112 8.360 11.619 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.588 9.640 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.827 9.386 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.837 8.638 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.667 10.996 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.933 10.070 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.738 11.838 -1.652 1.00 0.00 H new ATOM 1713 N ALA A 113 4.242 11.643 0.683 1.00 0.00 N ATOM 1714 CA ALA A 113 3.734 12.715 1.532 1.00 0.00 C ATOM 1715 C ALA A 113 3.984 12.431 3.019 1.00 0.00 C ATOM 1716 O ALA A 113 3.153 11.832 3.706 1.00 0.00 O ATOM 1717 CB ALA A 113 2.238 12.931 1.261 1.00 0.00 C ATOM 0 H ALA A 113 3.505 11.205 0.130 1.00 0.00 H new ATOM 0 HA ALA A 113 4.276 13.628 1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.865 13.733 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.093 13.201 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.693 12.012 1.477 1.00 0.00 H new ATOM 1723 N ASP A 114 5.127 12.874 3.536 1.00 0.00 N ATOM 1724 CA ASP A 114 5.639 12.505 4.848 1.00 0.00 C ATOM 1725 C ASP A 114 5.102 13.414 5.927 1.00 0.00 C ATOM 1726 O ASP A 114 5.818 13.930 6.783 1.00 0.00 O ATOM 1727 CB ASP A 114 7.155 12.557 4.838 1.00 0.00 C ATOM 1728 CG ASP A 114 7.756 11.837 6.055 1.00 0.00 C ATOM 1729 OD1 ASP A 114 7.167 10.833 6.521 1.00 0.00 O ATOM 1730 OD2 ASP A 114 8.824 12.293 6.537 1.00 0.00 O ATOM 0 H ASP A 114 5.739 13.519 3.036 1.00 0.00 H new ATOM 0 HA ASP A 114 5.306 11.491 5.068 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.529 12.098 3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 114 7.484 13.596 4.831 1.00 0.00 H new