USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 962 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 101 GLN : amide:sc= 0.987 K(o=2.4,f=-0.28) USER MOD Set 1.2: A 105 ASN : amide:sc= 1.4 K(o=2.4,f=-0.28) USER MOD Set 2.1: A 53 SER OG : rot 131:sc= 0.86 USER MOD Set 2.2: A 102 GLN : amide:sc= 0.679 X(o=1.5,f=1.5) USER MOD Set 3.1: A 74 ASN : amide:sc= -0.685 X(o=-1.7,f=-1.7) USER MOD Set 3.2: A 77 HIS : no HE2:sc= -1.06 X(o=-1.7,f=-1.3) USER MOD Set 4.1: A 40 LYS NZ :NH3+ 170:sc= -1.8! (180deg=-3.51!) USER MOD Set 4.2: A 49 SER OG : rot -82:sc= 1.41 USER MOD Set 4.3: A 80 THR OG1 : rot 180:sc= 0.568 USER MOD Set 5.1: A 9 TYR OH : rot 166:sc= 0.579 USER MOD Set 5.2: A 13 LYS NZ :NH3+ -174:sc= 0.456 (180deg=-0.156) USER MOD Single : A 1 MET CE :methyl 144:sc= -0.218 (180deg=-3.34!) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.22 (180deg=1) USER MOD Single : A 2 THR OG1 : rot 108:sc= 1.33 USER MOD Single : A 4 SER OG : rot 97:sc= 1.35 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 10 CYS SG : rot 64:sc= 0.843 USER MOD Single : A 11 MET CE :methyl 160:sc= -0.108 (180deg=-0.574) USER MOD Single : A 18 GLN : amide:sc= -0.961 K(o=-0.96,f=-1.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 1.31 (180deg=0.998) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.125 F(o=-1.2,f=-0.13) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.19) USER MOD Single : A 38 MET CE :methyl 153:sc= -2.14! (180deg=-3!) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.186 F(o=-1.3!,f=-0.19) USER MOD Single : A 51 LYS NZ :NH3+ 150:sc= 1.93 (180deg=-0.855) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.22) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 64 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.13) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= 0 USER MOD Single : A 86 SER OG : rot 123:sc= 1.26 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.024 K(o=-0.024,f=-1) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 49:sc= 0.623 USER MOD Single : A 99 SER OG : rot -88:sc= 1.25 USER MOD Single : A 100 TYR OH : rot 35:sc= 1.28 USER MOD Single : A 111 LYS NZ :NH3+ -144:sc= 1.72 (180deg=1.2) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.802 -11.043 10.439 1.00 0.00 N ATOM 2 CA MET A 1 -2.204 -10.815 10.845 1.00 0.00 C ATOM 3 C MET A 1 -3.123 -11.059 9.664 1.00 0.00 C ATOM 4 O MET A 1 -2.668 -11.100 8.521 1.00 0.00 O ATOM 5 CB MET A 1 -2.388 -9.384 11.357 1.00 0.00 C ATOM 6 CG MET A 1 -2.262 -8.323 10.274 1.00 0.00 C ATOM 7 SD MET A 1 -2.286 -6.649 10.936 1.00 0.00 S ATOM 8 CE MET A 1 -0.759 -6.647 11.871 1.00 0.00 C ATOM 0 H1 MET A 1 -0.165 -10.715 11.192 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.649 -12.058 10.274 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.604 -10.517 9.564 1.00 0.00 H new ATOM 0 HA MET A 1 -2.453 -11.507 11.649 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.369 -9.299 11.824 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.648 -9.188 12.133 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.334 -8.479 9.725 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.078 -8.439 9.561 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.293 -5.664 11.805 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.971 -6.878 12.915 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.082 -7.398 11.464 1.00 0.00 H new ATOM 20 N THR A 2 -4.409 -11.217 9.940 1.00 0.00 N ATOM 21 CA THR A 2 -5.389 -11.450 8.895 1.00 0.00 C ATOM 22 C THR A 2 -5.635 -10.179 8.085 1.00 0.00 C ATOM 23 O THR A 2 -5.557 -9.069 8.619 1.00 0.00 O ATOM 24 CB THR A 2 -6.710 -11.943 9.501 1.00 0.00 C ATOM 25 OG1 THR A 2 -6.538 -12.157 10.906 1.00 0.00 O ATOM 26 CG2 THR A 2 -7.157 -13.239 8.842 1.00 0.00 C ATOM 0 H THR A 2 -4.797 -11.188 10.883 1.00 0.00 H new ATOM 0 HA THR A 2 -4.993 -12.216 8.228 1.00 0.00 H new ATOM 0 HB THR A 2 -7.475 -11.186 9.330 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.009 -11.457 11.404 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.095 -13.569 9.288 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.301 -13.073 7.774 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.395 -14.004 8.991 1.00 0.00 H new ATOM 34 N ILE A 3 -5.937 -10.350 6.802 1.00 0.00 N ATOM 35 CA ILE A 3 -6.111 -9.222 5.892 1.00 0.00 C ATOM 36 C ILE A 3 -7.277 -8.336 6.331 1.00 0.00 C ATOM 37 O ILE A 3 -7.229 -7.116 6.187 1.00 0.00 O ATOM 38 CB ILE A 3 -6.355 -9.704 4.440 1.00 0.00 C ATOM 39 CG1 ILE A 3 -5.263 -10.685 4.010 1.00 0.00 C ATOM 40 CG2 ILE A 3 -6.409 -8.524 3.480 1.00 0.00 C ATOM 41 CD1 ILE A 3 -3.871 -10.094 4.017 1.00 0.00 C ATOM 0 H ILE A 3 -6.067 -11.263 6.367 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.189 -8.641 5.923 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.317 -10.216 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.283 -11.550 4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.488 -11.047 3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.581 -8.887 2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.221 -7.857 3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.464 -7.982 3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.153 -10.851 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.832 -9.247 3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.624 -9.758 5.024 1.00 0.00 H new ATOM 53 N SER A 4 -8.309 -8.958 6.888 1.00 0.00 N ATOM 54 CA SER A 4 -9.523 -8.255 7.279 1.00 0.00 C ATOM 55 C SER A 4 -9.252 -7.158 8.313 1.00 0.00 C ATOM 56 O SER A 4 -9.651 -6.009 8.121 1.00 0.00 O ATOM 57 CB SER A 4 -10.538 -9.268 7.811 1.00 0.00 C ATOM 58 OG SER A 4 -9.886 -10.287 8.556 1.00 0.00 O ATOM 0 H SER A 4 -8.328 -9.960 7.080 1.00 0.00 H new ATOM 0 HA SER A 4 -9.928 -7.755 6.399 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.269 -8.761 8.441 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.086 -9.712 6.980 1.00 0.00 H new ATOM 0 HG SER A 4 -9.925 -10.070 9.511 1.00 0.00 H new ATOM 64 N GLU A 5 -8.558 -7.503 9.397 1.00 0.00 N ATOM 65 CA GLU A 5 -8.249 -6.525 10.436 1.00 0.00 C ATOM 66 C GLU A 5 -7.334 -5.437 9.890 1.00 0.00 C ATOM 67 O GLU A 5 -7.446 -4.269 10.266 1.00 0.00 O ATOM 68 CB GLU A 5 -7.590 -7.182 11.655 1.00 0.00 C ATOM 69 CG GLU A 5 -8.520 -8.067 12.473 1.00 0.00 C ATOM 70 CD GLU A 5 -8.699 -9.448 11.880 1.00 0.00 C ATOM 71 OE1 GLU A 5 -7.838 -10.314 12.125 1.00 0.00 O ATOM 72 OE2 GLU A 5 -9.704 -9.679 11.177 1.00 0.00 O ATOM 0 H GLU A 5 -8.203 -8.442 9.577 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.193 -6.082 10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.744 -7.780 11.317 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.190 -6.401 12.302 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.126 -8.161 13.485 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.494 -7.584 12.554 1.00 0.00 H new ATOM 79 N LEU A 6 -6.441 -5.828 8.993 1.00 0.00 N ATOM 80 CA LEU A 6 -5.517 -4.893 8.368 1.00 0.00 C ATOM 81 C LEU A 6 -6.289 -3.893 7.509 1.00 0.00 C ATOM 82 O LEU A 6 -6.049 -2.686 7.574 1.00 0.00 O ATOM 83 CB LEU A 6 -4.489 -5.669 7.529 1.00 0.00 C ATOM 84 CG LEU A 6 -3.271 -4.874 7.037 1.00 0.00 C ATOM 85 CD1 LEU A 6 -3.605 -4.072 5.789 1.00 0.00 C ATOM 86 CD2 LEU A 6 -2.756 -3.961 8.141 1.00 0.00 C ATOM 0 H LEU A 6 -6.336 -6.793 8.680 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.983 -4.335 9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.131 -6.512 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.000 -6.084 6.660 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.486 -5.583 6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.723 -3.520 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.922 -4.749 4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.410 -3.372 6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.892 -3.403 7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.542 -3.264 8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.465 -4.561 9.003 1.00 0.00 H new ATOM 98 N LEU A 7 -7.224 -4.407 6.720 1.00 0.00 N ATOM 99 CA LEU A 7 -8.062 -3.572 5.866 1.00 0.00 C ATOM 100 C LEU A 7 -8.895 -2.600 6.696 1.00 0.00 C ATOM 101 O LEU A 7 -9.119 -1.460 6.292 1.00 0.00 O ATOM 102 CB LEU A 7 -8.973 -4.444 4.997 1.00 0.00 C ATOM 103 CG LEU A 7 -8.252 -5.283 3.939 1.00 0.00 C ATOM 104 CD1 LEU A 7 -9.254 -6.080 3.121 1.00 0.00 C ATOM 105 CD2 LEU A 7 -7.409 -4.398 3.034 1.00 0.00 C ATOM 0 H LEU A 7 -7.423 -5.405 6.653 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.408 -2.989 5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.537 -5.113 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.697 -3.800 4.497 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.588 -5.981 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.725 -6.671 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.814 -6.744 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.942 -5.397 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.905 -5.014 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.051 -3.674 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.666 -3.870 3.631 1.00 0.00 H new ATOM 117 N GLN A 8 -9.347 -3.056 7.858 1.00 0.00 N ATOM 118 CA GLN A 8 -10.095 -2.199 8.770 1.00 0.00 C ATOM 119 C GLN A 8 -9.210 -1.065 9.274 1.00 0.00 C ATOM 120 O GLN A 8 -9.630 0.093 9.320 1.00 0.00 O ATOM 121 CB GLN A 8 -10.627 -3.005 9.957 1.00 0.00 C ATOM 122 CG GLN A 8 -11.446 -2.174 10.932 1.00 0.00 C ATOM 123 CD GLN A 8 -11.789 -2.922 12.201 1.00 0.00 C ATOM 124 OE1 GLN A 8 -11.943 -4.143 12.203 1.00 0.00 O ATOM 125 NE2 GLN A 8 -11.913 -2.194 13.295 1.00 0.00 N ATOM 0 H GLN A 8 -9.209 -4.011 8.190 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.940 -1.779 8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.241 -3.825 9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.787 -3.452 10.489 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.891 -1.271 11.187 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.367 -1.855 10.445 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.778 -1.184 13.253 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.144 -2.642 14.182 1.00 0.00 H new ATOM 134 N TYR A 9 -7.976 -1.407 9.635 1.00 0.00 N ATOM 135 CA TYR A 9 -7.018 -0.432 10.150 1.00 0.00 C ATOM 136 C TYR A 9 -6.729 0.661 9.122 1.00 0.00 C ATOM 137 O TYR A 9 -6.482 1.814 9.481 1.00 0.00 O ATOM 138 CB TYR A 9 -5.716 -1.137 10.559 1.00 0.00 C ATOM 139 CG TYR A 9 -4.658 -0.197 11.096 1.00 0.00 C ATOM 140 CD1 TYR A 9 -4.752 0.326 12.379 1.00 0.00 C ATOM 141 CD2 TYR A 9 -3.578 0.181 10.310 1.00 0.00 C ATOM 142 CE1 TYR A 9 -3.795 1.196 12.864 1.00 0.00 C ATOM 143 CE2 TYR A 9 -2.620 1.054 10.785 1.00 0.00 C ATOM 144 CZ TYR A 9 -2.732 1.559 12.062 1.00 0.00 C ATOM 145 OH TYR A 9 -1.786 2.437 12.536 1.00 0.00 O ATOM 0 H TYR A 9 -7.614 -2.359 9.580 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.458 0.043 11.027 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.942 -1.887 11.317 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.314 -1.668 9.696 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.586 0.048 13.007 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.486 -0.215 9.309 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.878 1.590 13.866 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.787 1.340 10.159 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.996 2.412 11.956 1.00 0.00 H new ATOM 155 N CYS A 10 -6.767 0.297 7.848 1.00 0.00 N ATOM 156 CA CYS A 10 -6.494 1.240 6.772 1.00 0.00 C ATOM 157 C CYS A 10 -7.477 2.413 6.798 1.00 0.00 C ATOM 158 O CYS A 10 -7.073 3.572 6.721 1.00 0.00 O ATOM 159 CB CYS A 10 -6.559 0.529 5.420 1.00 0.00 C ATOM 160 SG CYS A 10 -5.422 -0.873 5.262 1.00 0.00 S ATOM 0 H CYS A 10 -6.985 -0.648 7.533 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.490 1.638 6.920 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.577 0.177 5.256 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.341 1.250 4.632 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.752 -1.797 6.115 1.00 0.00 H new ATOM 166 N MET A 11 -8.765 2.111 6.937 1.00 0.00 N ATOM 167 CA MET A 11 -9.798 3.145 6.913 1.00 0.00 C ATOM 168 C MET A 11 -10.001 3.771 8.287 1.00 0.00 C ATOM 169 O MET A 11 -10.849 4.647 8.461 1.00 0.00 O ATOM 170 CB MET A 11 -11.116 2.585 6.381 1.00 0.00 C ATOM 171 CG MET A 11 -11.095 2.331 4.884 1.00 0.00 C ATOM 172 SD MET A 11 -12.672 1.725 4.248 1.00 0.00 S ATOM 173 CE MET A 11 -13.722 3.145 4.548 1.00 0.00 C ATOM 0 H MET A 11 -9.118 1.163 7.067 1.00 0.00 H new ATOM 0 HA MET A 11 -9.456 3.930 6.238 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.343 1.653 6.898 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.920 3.283 6.614 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.833 3.255 4.368 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.314 1.605 4.655 1.00 0.00 H new ATOM 0 HE1 MET A 11 -14.606 3.084 3.914 1.00 0.00 H new ATOM 0 HE2 MET A 11 -14.026 3.158 5.595 1.00 0.00 H new ATOM 0 HE3 MET A 11 -13.173 4.058 4.318 1.00 0.00 H new ATOM 183 N ALA A 12 -9.229 3.311 9.263 1.00 0.00 N ATOM 184 CA ALA A 12 -9.265 3.898 10.590 1.00 0.00 C ATOM 185 C ALA A 12 -8.594 5.264 10.565 1.00 0.00 C ATOM 186 O ALA A 12 -8.828 6.106 11.434 1.00 0.00 O ATOM 187 CB ALA A 12 -8.588 2.986 11.600 1.00 0.00 C ATOM 0 H ALA A 12 -8.574 2.536 9.159 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.305 4.020 10.894 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.626 3.445 12.588 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.103 2.026 11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.548 2.832 11.312 1.00 0.00 H new ATOM 193 N LYS A 13 -7.759 5.472 9.554 1.00 0.00 N ATOM 194 CA LYS A 13 -7.082 6.742 9.361 1.00 0.00 C ATOM 195 C LYS A 13 -7.970 7.678 8.545 1.00 0.00 C ATOM 196 O LYS A 13 -8.372 7.341 7.429 1.00 0.00 O ATOM 197 CB LYS A 13 -5.740 6.526 8.650 1.00 0.00 C ATOM 198 CG LYS A 13 -4.808 5.552 9.364 1.00 0.00 C ATOM 199 CD LYS A 13 -4.504 6.002 10.785 1.00 0.00 C ATOM 200 CE LYS A 13 -3.666 4.976 11.536 1.00 0.00 C ATOM 201 NZ LYS A 13 -2.283 4.864 11.000 1.00 0.00 N ATOM 0 H LYS A 13 -7.535 4.768 8.851 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.887 7.194 10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.930 6.158 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.236 7.487 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.264 4.562 9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.877 5.462 8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.975 6.955 10.759 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.438 6.171 11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.622 5.250 12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.153 4.003 11.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.788 4.084 11.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.321 4.676 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.772 5.754 11.170 1.00 0.00 H new ATOM 215 N PRO A 14 -8.296 8.858 9.098 1.00 0.00 N ATOM 216 CA PRO A 14 -9.195 9.827 8.452 1.00 0.00 C ATOM 217 C PRO A 14 -8.766 10.176 7.028 1.00 0.00 C ATOM 218 O PRO A 14 -7.613 10.534 6.783 1.00 0.00 O ATOM 219 CB PRO A 14 -9.099 11.060 9.354 1.00 0.00 C ATOM 220 CG PRO A 14 -8.696 10.525 10.682 1.00 0.00 C ATOM 221 CD PRO A 14 -7.807 9.346 10.399 1.00 0.00 C ATOM 0 HA PRO A 14 -10.205 9.430 8.350 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.366 11.772 8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.053 11.584 9.411 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.169 11.281 11.264 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.568 10.226 11.264 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.757 9.636 10.351 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.892 8.583 11.173 1.00 0.00 H new ATOM 229 N GLY A 15 -9.698 10.046 6.092 1.00 0.00 N ATOM 230 CA GLY A 15 -9.420 10.380 4.711 1.00 0.00 C ATOM 231 C GLY A 15 -9.315 9.157 3.823 1.00 0.00 C ATOM 232 O GLY A 15 -9.604 9.226 2.628 1.00 0.00 O ATOM 0 H GLY A 15 -10.646 9.713 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.208 11.031 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.488 10.943 4.658 1.00 0.00 H new ATOM 236 N ALA A 16 -8.917 8.033 4.405 1.00 0.00 N ATOM 237 CA ALA A 16 -8.681 6.816 3.638 1.00 0.00 C ATOM 238 C ALA A 16 -9.985 6.162 3.190 1.00 0.00 C ATOM 239 O ALA A 16 -10.858 5.852 4.004 1.00 0.00 O ATOM 240 CB ALA A 16 -7.848 5.836 4.449 1.00 0.00 C ATOM 0 H ALA A 16 -8.751 7.939 5.407 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.131 7.096 2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.679 4.932 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.890 6.292 4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.377 5.581 5.367 1.00 0.00 H new ATOM 246 N GLU A 17 -10.108 5.967 1.885 1.00 0.00 N ATOM 247 CA GLU A 17 -11.252 5.289 1.299 1.00 0.00 C ATOM 248 C GLU A 17 -10.782 4.097 0.468 1.00 0.00 C ATOM 249 O GLU A 17 -9.893 4.233 -0.372 1.00 0.00 O ATOM 250 CB GLU A 17 -12.044 6.265 0.425 1.00 0.00 C ATOM 251 CG GLU A 17 -13.218 5.632 -0.299 1.00 0.00 C ATOM 252 CD GLU A 17 -13.940 6.615 -1.196 1.00 0.00 C ATOM 253 OE1 GLU A 17 -13.508 6.803 -2.354 1.00 0.00 O ATOM 254 OE2 GLU A 17 -14.954 7.195 -0.755 1.00 0.00 O ATOM 0 H GLU A 17 -9.415 6.276 1.203 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.900 4.926 2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.412 7.080 1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.371 6.706 -0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.863 4.792 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.919 5.229 0.433 1.00 0.00 H new ATOM 261 N GLN A 18 -11.368 2.930 0.710 1.00 0.00 N ATOM 262 CA GLN A 18 -10.999 1.726 -0.028 1.00 0.00 C ATOM 263 C GLN A 18 -12.055 1.391 -1.069 1.00 0.00 C ATOM 264 O GLN A 18 -13.255 1.502 -0.810 1.00 0.00 O ATOM 265 CB GLN A 18 -10.830 0.534 0.913 1.00 0.00 C ATOM 266 CG GLN A 18 -9.782 0.743 1.988 1.00 0.00 C ATOM 267 CD GLN A 18 -9.577 -0.488 2.840 1.00 0.00 C ATOM 268 OE1 GLN A 18 -8.717 -1.317 2.560 1.00 0.00 O ATOM 269 NE2 GLN A 18 -10.387 -0.630 3.873 1.00 0.00 N ATOM 0 H GLN A 18 -12.098 2.791 1.409 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.049 1.925 -0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.787 0.321 1.389 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.564 -0.345 0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.837 1.020 1.521 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.079 1.577 2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.089 0.082 4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.310 -1.452 4.472 1.00 0.00 H new ATOM 278 N SER A 19 -11.609 0.998 -2.246 1.00 0.00 N ATOM 279 CA SER A 19 -12.516 0.577 -3.296 1.00 0.00 C ATOM 280 C SER A 19 -11.929 -0.600 -4.068 1.00 0.00 C ATOM 281 O SER A 19 -10.913 -0.460 -4.756 1.00 0.00 O ATOM 282 CB SER A 19 -12.801 1.747 -4.236 1.00 0.00 C ATOM 283 OG SER A 19 -13.300 2.862 -3.514 1.00 0.00 O ATOM 0 H SER A 19 -10.622 0.961 -2.500 1.00 0.00 H new ATOM 0 HA SER A 19 -13.453 0.253 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.889 2.027 -4.762 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.525 1.444 -4.992 1.00 0.00 H new ATOM 0 HG SER A 19 -13.475 3.601 -4.133 1.00 0.00 H new ATOM 289 N VAL A 20 -12.542 -1.767 -3.919 1.00 0.00 N ATOM 290 CA VAL A 20 -12.114 -2.946 -4.657 1.00 0.00 C ATOM 291 C VAL A 20 -12.575 -2.857 -6.107 1.00 0.00 C ATOM 292 O VAL A 20 -13.769 -2.812 -6.397 1.00 0.00 O ATOM 293 CB VAL A 20 -12.612 -4.266 -4.011 1.00 0.00 C ATOM 294 CG1 VAL A 20 -14.110 -4.223 -3.735 1.00 0.00 C ATOM 295 CG2 VAL A 20 -12.266 -5.464 -4.885 1.00 0.00 C ATOM 0 H VAL A 20 -13.335 -1.921 -3.296 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.025 -2.967 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.099 -4.375 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -14.424 -5.164 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.331 -3.401 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.648 -4.073 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -12.626 -6.377 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.739 -5.352 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.185 -5.522 -5.011 1.00 0.00 H new ATOM 305 N HIS A 21 -11.616 -2.802 -7.014 1.00 0.00 N ATOM 306 CA HIS A 21 -11.918 -2.725 -8.428 1.00 0.00 C ATOM 307 C HIS A 21 -12.245 -4.111 -8.958 1.00 0.00 C ATOM 308 O HIS A 21 -11.424 -5.030 -8.869 1.00 0.00 O ATOM 309 CB HIS A 21 -10.742 -2.123 -9.196 1.00 0.00 C ATOM 310 CG HIS A 21 -11.148 -1.026 -10.130 1.00 0.00 C ATOM 311 ND1 HIS A 21 -11.050 -1.120 -11.504 1.00 0.00 N ATOM 312 CD2 HIS A 21 -11.658 0.203 -9.876 1.00 0.00 C ATOM 313 CE1 HIS A 21 -11.481 0.004 -12.048 1.00 0.00 C ATOM 314 NE2 HIS A 21 -11.855 0.818 -11.083 1.00 0.00 N ATOM 0 H HIS A 21 -10.620 -2.809 -6.794 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.783 -2.077 -8.570 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.013 -1.735 -8.485 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.246 -2.910 -9.764 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -11.870 0.620 -8.903 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.520 0.219 -13.106 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -12.231 1.757 -11.214 1.00 0.00 H new ATOM 323 N ASN A 22 -13.449 -4.261 -9.491 1.00 0.00 N ATOM 324 CA ASN A 22 -13.904 -5.546 -9.996 1.00 0.00 C ATOM 325 C ASN A 22 -13.220 -5.851 -11.319 1.00 0.00 C ATOM 326 O ASN A 22 -13.638 -5.373 -12.374 1.00 0.00 O ATOM 327 CB ASN A 22 -15.426 -5.560 -10.174 1.00 0.00 C ATOM 328 CG ASN A 22 -15.963 -6.950 -10.459 1.00 0.00 C ATOM 329 OD1 ASN A 22 -16.045 -7.379 -11.611 1.00 0.00 O ATOM 330 ND2 ASN A 22 -16.341 -7.660 -9.408 1.00 0.00 N ATOM 0 H ASN A 22 -14.129 -3.506 -9.585 1.00 0.00 H new ATOM 0 HA ASN A 22 -13.642 -6.314 -9.268 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.898 -5.169 -9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.699 -4.893 -10.992 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.717 -8.600 -9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.256 -7.268 -8.470 1.00 0.00 H new ATOM 337 N ASP A 23 -12.142 -6.616 -11.245 1.00 0.00 N ATOM 338 CA ASP A 23 -11.355 -6.956 -12.423 1.00 0.00 C ATOM 339 C ASP A 23 -10.530 -8.208 -12.151 1.00 0.00 C ATOM 340 O ASP A 23 -10.784 -9.264 -12.727 1.00 0.00 O ATOM 341 CB ASP A 23 -10.440 -5.786 -12.805 1.00 0.00 C ATOM 342 CG ASP A 23 -9.727 -5.998 -14.127 1.00 0.00 C ATOM 343 OD1 ASP A 23 -10.412 -6.144 -15.159 1.00 0.00 O ATOM 344 OD2 ASP A 23 -8.482 -5.970 -14.147 1.00 0.00 O ATOM 0 H ASP A 23 -11.789 -7.016 -10.376 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.030 -7.153 -13.256 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.032 -4.872 -12.860 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.700 -5.639 -12.019 1.00 0.00 H new ATOM 349 N TRP A 24 -9.561 -8.093 -11.248 1.00 0.00 N ATOM 350 CA TRP A 24 -8.743 -9.240 -10.857 1.00 0.00 C ATOM 351 C TRP A 24 -8.382 -9.168 -9.373 1.00 0.00 C ATOM 352 O TRP A 24 -7.314 -9.619 -8.957 1.00 0.00 O ATOM 353 CB TRP A 24 -7.481 -9.322 -11.734 1.00 0.00 C ATOM 354 CG TRP A 24 -6.510 -8.190 -11.554 1.00 0.00 C ATOM 355 CD1 TRP A 24 -6.712 -6.872 -11.846 1.00 0.00 C ATOM 356 CD2 TRP A 24 -5.167 -8.292 -11.069 1.00 0.00 C ATOM 357 NE1 TRP A 24 -5.584 -6.146 -11.555 1.00 0.00 N ATOM 358 CE2 TRP A 24 -4.621 -6.996 -11.078 1.00 0.00 C ATOM 359 CE3 TRP A 24 -4.377 -9.355 -10.616 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -3.320 -6.735 -10.659 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -3.085 -9.094 -10.203 1.00 0.00 C ATOM 362 CH2 TRP A 24 -2.568 -7.793 -10.225 1.00 0.00 C ATOM 0 H TRP A 24 -9.322 -7.222 -10.774 1.00 0.00 H new ATOM 0 HA TRP A 24 -9.323 -10.149 -11.013 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.968 -10.259 -11.519 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -7.785 -9.358 -12.780 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.626 -6.460 -12.248 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.480 -5.138 -11.674 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.770 -10.360 -10.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.918 -5.733 -10.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.463 -9.907 -9.857 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.555 -7.621 -9.893 1.00 0.00 H new ATOM 373 N LYS A 25 -9.318 -8.644 -8.579 1.00 0.00 N ATOM 374 CA LYS A 25 -9.129 -8.451 -7.135 1.00 0.00 C ATOM 375 C LYS A 25 -8.037 -7.427 -6.858 1.00 0.00 C ATOM 376 O LYS A 25 -6.904 -7.781 -6.527 1.00 0.00 O ATOM 377 CB LYS A 25 -8.790 -9.762 -6.411 1.00 0.00 C ATOM 378 CG LYS A 25 -9.833 -10.856 -6.556 1.00 0.00 C ATOM 379 CD LYS A 25 -9.506 -12.036 -5.656 1.00 0.00 C ATOM 380 CE LYS A 25 -10.454 -13.199 -5.879 1.00 0.00 C ATOM 381 NZ LYS A 25 -10.232 -14.293 -4.895 1.00 0.00 N ATOM 0 H LYS A 25 -10.231 -8.340 -8.917 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.080 -8.084 -6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.838 -10.134 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.651 -9.550 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.817 -10.462 -6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.879 -11.186 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.482 -12.361 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.556 -11.722 -4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.483 -12.848 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.321 -13.587 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.510 -15.202 -5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.226 -14.326 -4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.805 -14.117 -4.045 1.00 0.00 H new ATOM 395 N ALA A 26 -8.382 -6.158 -7.013 1.00 0.00 N ATOM 396 CA ALA A 26 -7.459 -5.074 -6.731 1.00 0.00 C ATOM 397 C ALA A 26 -8.152 -3.997 -5.913 1.00 0.00 C ATOM 398 O ALA A 26 -8.987 -3.256 -6.429 1.00 0.00 O ATOM 399 CB ALA A 26 -6.910 -4.490 -8.023 1.00 0.00 C ATOM 0 H ALA A 26 -9.301 -5.854 -7.335 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.624 -5.469 -6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.220 -3.679 -7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.384 -5.266 -8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.732 -4.106 -8.627 1.00 0.00 H new ATOM 405 N THR A 27 -7.830 -3.929 -4.634 1.00 0.00 N ATOM 406 CA THR A 27 -8.434 -2.936 -3.766 1.00 0.00 C ATOM 407 C THR A 27 -7.570 -1.687 -3.719 1.00 0.00 C ATOM 408 O THR A 27 -6.423 -1.727 -3.271 1.00 0.00 O ATOM 409 CB THR A 27 -8.633 -3.485 -2.342 1.00 0.00 C ATOM 410 OG1 THR A 27 -9.324 -4.741 -2.409 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.428 -2.509 -1.480 1.00 0.00 C ATOM 0 H THR A 27 -7.158 -4.545 -4.176 1.00 0.00 H new ATOM 0 HA THR A 27 -9.413 -2.685 -4.175 1.00 0.00 H new ATOM 0 HB THR A 27 -7.653 -3.621 -1.885 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.450 -5.094 -1.503 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.552 -2.925 -0.480 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.893 -1.562 -1.415 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.408 -2.343 -1.928 1.00 0.00 H new ATOM 419 N GLN A 28 -8.132 -0.585 -4.186 1.00 0.00 N ATOM 420 CA GLN A 28 -7.413 0.673 -4.250 1.00 0.00 C ATOM 421 C GLN A 28 -7.794 1.556 -3.076 1.00 0.00 C ATOM 422 O GLN A 28 -8.975 1.834 -2.859 1.00 0.00 O ATOM 423 CB GLN A 28 -7.724 1.386 -5.569 1.00 0.00 C ATOM 424 CG GLN A 28 -7.339 0.579 -6.798 1.00 0.00 C ATOM 425 CD GLN A 28 -7.794 1.226 -8.091 1.00 0.00 C ATOM 426 OE1 GLN A 28 -6.949 2.065 -8.668 1.00 0.00 O flip ATOM 427 NE2 GLN A 28 -8.896 0.967 -8.572 1.00 0.00 N flip ATOM 0 H GLN A 28 -9.092 -0.538 -4.529 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.343 0.470 -4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.790 1.609 -5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.197 2.340 -5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.256 0.454 -6.821 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.773 -0.418 -6.723 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.519 0.314 -8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.187 1.405 -9.446 1.00 0.00 H new ATOM 436 N ILE A 29 -6.803 1.977 -2.311 1.00 0.00 N ATOM 437 CA ILE A 29 -7.044 2.860 -1.186 1.00 0.00 C ATOM 438 C ILE A 29 -6.617 4.276 -1.545 1.00 0.00 C ATOM 439 O ILE A 29 -5.441 4.529 -1.824 1.00 0.00 O ATOM 440 CB ILE A 29 -6.287 2.401 0.078 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.417 0.886 0.262 1.00 0.00 C ATOM 442 CG2 ILE A 29 -6.828 3.131 1.300 1.00 0.00 C ATOM 443 CD1 ILE A 29 -5.626 0.341 1.434 1.00 0.00 C ATOM 0 H ILE A 29 -5.825 1.722 -2.449 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.111 2.833 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.230 2.642 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.469 0.635 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.086 0.389 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.289 2.802 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.694 4.205 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.889 2.909 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.769 -0.738 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.568 0.559 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.972 0.809 2.356 1.00 0.00 H new ATOM 455 N LYS A 30 -7.573 5.190 -1.555 1.00 0.00 N ATOM 456 CA LYS A 30 -7.305 6.569 -1.927 1.00 0.00 C ATOM 457 C LYS A 30 -7.856 7.514 -0.869 1.00 0.00 C ATOM 458 O LYS A 30 -8.851 7.211 -0.222 1.00 0.00 O ATOM 459 CB LYS A 30 -7.943 6.895 -3.285 1.00 0.00 C ATOM 460 CG LYS A 30 -7.629 5.882 -4.378 1.00 0.00 C ATOM 461 CD LYS A 30 -8.330 6.228 -5.689 1.00 0.00 C ATOM 462 CE LYS A 30 -9.839 6.307 -5.514 1.00 0.00 C ATOM 463 NZ LYS A 30 -10.540 6.616 -6.790 1.00 0.00 N ATOM 0 H LYS A 30 -8.545 5.001 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.225 6.699 -2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.024 6.957 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.603 7.879 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.552 5.845 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.937 4.888 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.956 7.182 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.089 5.476 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.207 5.360 -5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.077 7.073 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.517 6.909 -6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.043 7.386 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.551 5.769 -7.394 1.00 0.00 H new ATOM 477 N VAL A 31 -7.204 8.654 -0.698 1.00 0.00 N ATOM 478 CA VAL A 31 -7.665 9.672 0.247 1.00 0.00 C ATOM 479 C VAL A 31 -8.540 10.706 -0.457 1.00 0.00 C ATOM 480 O VAL A 31 -8.886 11.742 0.107 1.00 0.00 O ATOM 481 CB VAL A 31 -6.472 10.376 0.928 1.00 0.00 C ATOM 482 CG1 VAL A 31 -5.729 9.409 1.839 1.00 0.00 C ATOM 483 CG2 VAL A 31 -5.528 10.961 -0.113 1.00 0.00 C ATOM 0 H VAL A 31 -6.352 8.902 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.256 9.169 1.012 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.860 11.193 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.891 9.924 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.407 9.040 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.356 8.570 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.694 11.453 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.149 10.162 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.064 11.688 -0.723 1.00 0.00 H new ATOM 493 N GLU A 32 -8.912 10.378 -1.687 1.00 0.00 N ATOM 494 CA GLU A 32 -9.668 11.260 -2.570 1.00 0.00 C ATOM 495 C GLU A 32 -9.775 10.563 -3.921 1.00 0.00 C ATOM 496 O GLU A 32 -10.765 9.895 -4.226 1.00 0.00 O ATOM 497 CB GLU A 32 -8.959 12.621 -2.722 1.00 0.00 C ATOM 498 CG GLU A 32 -9.609 13.565 -3.729 1.00 0.00 C ATOM 499 CD GLU A 32 -10.899 14.177 -3.231 1.00 0.00 C ATOM 500 OE1 GLU A 32 -11.893 13.444 -3.078 1.00 0.00 O ATOM 501 OE2 GLU A 32 -10.925 15.408 -3.011 1.00 0.00 O ATOM 0 H GLU A 32 -8.693 9.475 -2.108 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.657 11.455 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.930 13.112 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.926 12.446 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.908 14.363 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.806 13.020 -4.652 1.00 0.00 H new ATOM 508 N ASP A 33 -8.718 10.705 -4.702 1.00 0.00 N ATOM 509 CA ASP A 33 -8.505 9.903 -5.893 1.00 0.00 C ATOM 510 C ASP A 33 -7.014 9.615 -5.987 1.00 0.00 C ATOM 511 O ASP A 33 -6.493 9.191 -7.013 1.00 0.00 O ATOM 512 CB ASP A 33 -9.006 10.620 -7.152 1.00 0.00 C ATOM 513 CG ASP A 33 -8.974 9.725 -8.377 1.00 0.00 C ATOM 514 OD1 ASP A 33 -9.377 8.547 -8.269 1.00 0.00 O ATOM 515 OD2 ASP A 33 -8.555 10.200 -9.457 1.00 0.00 O ATOM 0 H ASP A 33 -7.979 11.385 -4.526 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.071 8.974 -5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.025 10.969 -6.987 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.392 11.502 -7.333 1.00 0.00 H new ATOM 520 N VAL A 34 -6.341 9.837 -4.865 1.00 0.00 N ATOM 521 CA VAL A 34 -4.903 9.656 -4.782 1.00 0.00 C ATOM 522 C VAL A 34 -4.591 8.279 -4.224 1.00 0.00 C ATOM 523 O VAL A 34 -4.744 8.028 -3.025 1.00 0.00 O ATOM 524 CB VAL A 34 -4.240 10.731 -3.895 1.00 0.00 C ATOM 525 CG1 VAL A 34 -2.726 10.574 -3.888 1.00 0.00 C ATOM 526 CG2 VAL A 34 -4.634 12.127 -4.353 1.00 0.00 C ATOM 0 H VAL A 34 -6.775 10.145 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.498 9.754 -5.789 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.598 10.593 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.283 11.344 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.464 9.590 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.345 10.676 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.155 12.868 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.313 12.276 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.716 12.239 -4.290 1.00 0.00 H new ATOM 536 N LEU A 35 -4.190 7.390 -5.110 1.00 0.00 N ATOM 537 CA LEU A 35 -3.876 6.023 -4.748 1.00 0.00 C ATOM 538 C LEU A 35 -2.467 5.930 -4.181 1.00 0.00 C ATOM 539 O LEU A 35 -1.485 6.106 -4.904 1.00 0.00 O ATOM 540 CB LEU A 35 -4.004 5.139 -5.987 1.00 0.00 C ATOM 541 CG LEU A 35 -3.578 3.687 -5.816 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.492 2.971 -4.839 1.00 0.00 C ATOM 543 CD2 LEU A 35 -3.577 2.989 -7.162 1.00 0.00 C ATOM 0 H LEU A 35 -4.073 7.595 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.573 5.685 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.043 5.156 -6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.409 5.580 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.568 3.663 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.170 1.935 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.448 3.467 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.515 2.996 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.271 1.951 -7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.579 3.022 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.880 3.492 -7.832 1.00 0.00 H new ATOM 555 N PHE A 36 -2.362 5.664 -2.889 1.00 0.00 N ATOM 556 CA PHE A 36 -1.054 5.538 -2.262 1.00 0.00 C ATOM 557 C PHE A 36 -0.614 4.075 -2.200 1.00 0.00 C ATOM 558 O PHE A 36 0.552 3.767 -2.460 1.00 0.00 O ATOM 559 CB PHE A 36 -1.018 6.198 -0.873 1.00 0.00 C ATOM 560 CG PHE A 36 -2.066 5.731 0.098 1.00 0.00 C ATOM 561 CD1 PHE A 36 -3.303 6.353 0.152 1.00 0.00 C ATOM 562 CD2 PHE A 36 -1.808 4.689 0.972 1.00 0.00 C ATOM 563 CE1 PHE A 36 -4.261 5.939 1.056 1.00 0.00 C ATOM 564 CE2 PHE A 36 -2.760 4.272 1.878 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.988 4.896 1.920 1.00 0.00 C ATOM 0 H PHE A 36 -3.154 5.532 -2.260 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.340 6.075 -2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.037 6.022 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.121 7.276 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.520 7.170 -0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.848 4.196 0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.222 6.430 1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.544 3.458 2.554 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.736 4.570 2.627 1.00 0.00 H new ATOM 575 N ALA A 37 -1.549 3.179 -1.902 1.00 0.00 N ATOM 576 CA ALA A 37 -1.248 1.752 -1.811 1.00 0.00 C ATOM 577 C ALA A 37 -2.459 0.921 -2.210 1.00 0.00 C ATOM 578 O ALA A 37 -3.584 1.422 -2.221 1.00 0.00 O ATOM 579 CB ALA A 37 -0.790 1.386 -0.404 1.00 0.00 C ATOM 0 H ALA A 37 -2.524 3.415 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.436 1.532 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.571 0.319 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.108 1.952 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.579 1.625 0.309 1.00 0.00 H new ATOM 585 N MET A 38 -2.226 -0.341 -2.549 1.00 0.00 N ATOM 586 CA MET A 38 -3.309 -1.235 -2.947 1.00 0.00 C ATOM 587 C MET A 38 -3.001 -2.678 -2.543 1.00 0.00 C ATOM 588 O MET A 38 -1.835 -3.077 -2.466 1.00 0.00 O ATOM 589 CB MET A 38 -3.545 -1.168 -4.464 1.00 0.00 C ATOM 590 CG MET A 38 -2.473 -1.867 -5.282 1.00 0.00 C ATOM 591 SD MET A 38 -2.927 -2.071 -7.016 1.00 0.00 S ATOM 592 CE MET A 38 -2.980 -0.374 -7.567 1.00 0.00 C ATOM 0 H MET A 38 -1.300 -0.769 -2.557 1.00 0.00 H new ATOM 0 HA MET A 38 -4.212 -0.907 -2.432 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.512 -1.615 -4.692 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.598 -0.123 -4.768 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.547 -1.296 -5.220 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.273 -2.846 -4.847 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.769 -0.332 -8.636 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.970 0.040 -7.376 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.233 0.208 -7.026 1.00 0.00 H new ATOM 602 N VAL A 39 -4.047 -3.452 -2.280 1.00 0.00 N ATOM 603 CA VAL A 39 -3.903 -4.876 -2.013 1.00 0.00 C ATOM 604 C VAL A 39 -4.493 -5.678 -3.171 1.00 0.00 C ATOM 605 O VAL A 39 -5.579 -5.372 -3.672 1.00 0.00 O ATOM 606 CB VAL A 39 -4.560 -5.300 -0.673 1.00 0.00 C ATOM 607 CG1 VAL A 39 -6.034 -4.928 -0.635 1.00 0.00 C ATOM 608 CG2 VAL A 39 -4.362 -6.794 -0.427 1.00 0.00 C ATOM 0 H VAL A 39 -5.009 -3.114 -2.246 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.837 -5.087 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.066 -4.754 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.463 -5.239 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.140 -3.849 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.557 -5.429 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.830 -7.072 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.819 -7.360 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.296 -7.017 -0.384 1.00 0.00 H new ATOM 618 N LYS A 40 -3.755 -6.680 -3.616 1.00 0.00 N ATOM 619 CA LYS A 40 -4.160 -7.489 -4.752 1.00 0.00 C ATOM 620 C LYS A 40 -3.924 -8.954 -4.452 1.00 0.00 C ATOM 621 O LYS A 40 -2.929 -9.307 -3.818 1.00 0.00 O ATOM 622 CB LYS A 40 -3.363 -7.105 -6.000 1.00 0.00 C ATOM 623 CG LYS A 40 -3.600 -5.683 -6.477 1.00 0.00 C ATOM 624 CD LYS A 40 -2.653 -5.305 -7.607 1.00 0.00 C ATOM 625 CE LYS A 40 -1.269 -4.913 -7.097 1.00 0.00 C ATOM 626 NZ LYS A 40 -0.556 -6.026 -6.410 1.00 0.00 N ATOM 0 H LYS A 40 -2.864 -6.954 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.220 -7.312 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.301 -7.235 -5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.617 -7.794 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.631 -5.579 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.467 -4.993 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.559 -6.145 -8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.078 -4.475 -8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.665 -4.567 -7.936 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.368 -4.074 -6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.433 -5.752 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.021 -6.228 -5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.581 -6.876 -7.009 1.00 0.00 H new ATOM 640 N GLU A 41 -4.821 -9.804 -4.905 1.00 0.00 N ATOM 641 CA GLU A 41 -4.636 -11.230 -4.726 1.00 0.00 C ATOM 642 C GLU A 41 -4.078 -11.830 -6.010 1.00 0.00 C ATOM 643 O GLU A 41 -4.761 -11.884 -7.034 1.00 0.00 O ATOM 644 CB GLU A 41 -5.954 -11.904 -4.338 1.00 0.00 C ATOM 645 CG GLU A 41 -5.775 -13.306 -3.784 1.00 0.00 C ATOM 646 CD GLU A 41 -7.087 -13.941 -3.381 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.603 -13.615 -2.294 1.00 0.00 O ATOM 648 OE2 GLU A 41 -7.614 -14.777 -4.150 1.00 0.00 O ATOM 0 H GLU A 41 -5.676 -9.538 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.928 -11.400 -3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.462 -11.290 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.603 -11.947 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.288 -13.930 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.112 -13.270 -2.920 1.00 0.00 H new ATOM 655 N VAL A 42 -2.832 -12.269 -5.949 1.00 0.00 N ATOM 656 CA VAL A 42 -2.145 -12.807 -7.112 1.00 0.00 C ATOM 657 C VAL A 42 -1.319 -14.016 -6.696 1.00 0.00 C ATOM 658 O VAL A 42 -0.807 -14.055 -5.578 1.00 0.00 O ATOM 659 CB VAL A 42 -1.243 -11.737 -7.781 1.00 0.00 C ATOM 660 CG1 VAL A 42 -0.183 -11.228 -6.816 1.00 0.00 C ATOM 661 CG2 VAL A 42 -0.601 -12.277 -9.050 1.00 0.00 C ATOM 0 H VAL A 42 -2.271 -12.263 -5.097 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.891 -13.111 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.880 -10.896 -8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.433 -10.479 -7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.666 -10.781 -5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.445 -12.059 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.026 -11.505 -9.498 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.011 -13.146 -8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.379 -12.567 -9.756 1.00 0.00 H new ATOM 671 N GLU A 43 -1.229 -15.012 -7.580 1.00 0.00 N ATOM 672 CA GLU A 43 -0.579 -16.284 -7.259 1.00 0.00 C ATOM 673 C GLU A 43 -1.388 -16.985 -6.164 1.00 0.00 C ATOM 674 O GLU A 43 -0.897 -17.867 -5.458 1.00 0.00 O ATOM 675 CB GLU A 43 0.878 -16.050 -6.823 1.00 0.00 C ATOM 676 CG GLU A 43 1.718 -17.317 -6.727 1.00 0.00 C ATOM 677 CD GLU A 43 3.165 -17.034 -6.380 1.00 0.00 C ATOM 678 OE1 GLU A 43 3.488 -16.922 -5.180 1.00 0.00 O ATOM 679 OE2 GLU A 43 3.992 -16.927 -7.308 1.00 0.00 O ATOM 0 H GLU A 43 -1.600 -14.961 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.550 -16.922 -8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.351 -15.368 -7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.879 -15.554 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.290 -17.976 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.674 -17.850 -7.677 1.00 0.00 H new ATOM 686 N ASN A 44 -2.657 -16.576 -6.069 1.00 0.00 N ATOM 687 CA ASN A 44 -3.583 -17.041 -5.035 1.00 0.00 C ATOM 688 C ASN A 44 -3.117 -16.576 -3.653 1.00 0.00 C ATOM 689 O ASN A 44 -3.513 -17.127 -2.623 1.00 0.00 O ATOM 690 CB ASN A 44 -3.734 -18.566 -5.073 1.00 0.00 C ATOM 691 CG ASN A 44 -4.965 -19.054 -4.327 1.00 0.00 C ATOM 692 OD1 ASN A 44 -6.070 -18.330 -4.446 1.00 0.00 O flip ATOM 693 ND2 ASN A 44 -4.932 -20.097 -3.676 1.00 0.00 N flip ATOM 0 H ASN A 44 -3.073 -15.906 -6.715 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.562 -16.605 -5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.789 -18.895 -6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.846 -19.026 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.064 -20.628 -3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.773 -20.431 -3.205 1.00 0.00 H new ATOM 700 N ARG A 45 -2.283 -15.541 -3.637 1.00 0.00 N ATOM 701 CA ARG A 45 -1.778 -14.980 -2.392 1.00 0.00 C ATOM 702 C ARG A 45 -2.206 -13.525 -2.254 1.00 0.00 C ATOM 703 O ARG A 45 -2.048 -12.734 -3.188 1.00 0.00 O ATOM 704 CB ARG A 45 -0.250 -15.052 -2.334 1.00 0.00 C ATOM 705 CG ARG A 45 0.323 -16.426 -2.623 1.00 0.00 C ATOM 706 CD ARG A 45 1.802 -16.479 -2.282 1.00 0.00 C ATOM 707 NE ARG A 45 2.450 -17.675 -2.812 1.00 0.00 N ATOM 708 CZ ARG A 45 2.542 -18.833 -2.156 1.00 0.00 C ATOM 709 NH1 ARG A 45 1.995 -18.970 -0.954 1.00 0.00 N ATOM 710 NH2 ARG A 45 3.177 -19.858 -2.708 1.00 0.00 N ATOM 0 H ARG A 45 -1.942 -15.073 -4.477 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.195 -15.568 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.163 -14.341 -3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.079 -14.735 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.215 -17.178 -2.045 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.179 -16.670 -3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.297 -15.593 -2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.924 -16.452 -1.199 1.00 0.00 H new ATOM 0 HE ARG A 45 2.859 -17.622 -3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.501 -18.187 -0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.069 -19.858 -0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.595 -19.761 -3.633 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.248 -20.744 -2.207 1.00 0.00 H new ATOM 724 N PRO A 46 -2.780 -13.160 -1.103 1.00 0.00 N ATOM 725 CA PRO A 46 -3.084 -11.767 -0.793 1.00 0.00 C ATOM 726 C PRO A 46 -1.803 -10.962 -0.587 1.00 0.00 C ATOM 727 O PRO A 46 -1.097 -11.135 0.408 1.00 0.00 O ATOM 728 CB PRO A 46 -3.902 -11.851 0.499 1.00 0.00 C ATOM 729 CG PRO A 46 -3.526 -13.155 1.114 1.00 0.00 C ATOM 730 CD PRO A 46 -3.187 -14.077 -0.026 1.00 0.00 C ATOM 0 HA PRO A 46 -3.622 -11.262 -1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.672 -11.020 1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.971 -11.807 0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.675 -13.037 1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.347 -13.556 1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.384 -14.765 0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.043 -14.684 -0.319 1.00 0.00 H new ATOM 738 N ALA A 47 -1.489 -10.108 -1.546 1.00 0.00 N ATOM 739 CA ALA A 47 -0.247 -9.359 -1.514 1.00 0.00 C ATOM 740 C ALA A 47 -0.510 -7.863 -1.605 1.00 0.00 C ATOM 741 O ALA A 47 -1.502 -7.430 -2.194 1.00 0.00 O ATOM 742 CB ALA A 47 0.654 -9.812 -2.649 1.00 0.00 C ATOM 0 H ALA A 47 -2.078 -9.917 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 47 0.252 -9.552 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.586 -9.247 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.871 -10.875 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.153 -9.640 -3.602 1.00 0.00 H new ATOM 748 N VAL A 48 0.389 -7.075 -1.041 1.00 0.00 N ATOM 749 CA VAL A 48 0.224 -5.631 -1.012 1.00 0.00 C ATOM 750 C VAL A 48 1.331 -4.953 -1.818 1.00 0.00 C ATOM 751 O VAL A 48 2.479 -5.399 -1.814 1.00 0.00 O ATOM 752 CB VAL A 48 0.213 -5.101 0.445 1.00 0.00 C ATOM 753 CG1 VAL A 48 1.515 -5.425 1.163 1.00 0.00 C ATOM 754 CG2 VAL A 48 -0.066 -3.603 0.484 1.00 0.00 C ATOM 0 H VAL A 48 1.243 -7.411 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.737 -5.391 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.595 -5.610 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.474 -5.040 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.657 -6.505 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.348 -4.962 0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.068 -3.260 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.708 -3.074 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.038 -3.402 0.034 1.00 0.00 H new ATOM 764 N SER A 49 0.976 -3.898 -2.537 1.00 0.00 N ATOM 765 CA SER A 49 1.937 -3.188 -3.362 1.00 0.00 C ATOM 766 C SER A 49 2.138 -1.766 -2.856 1.00 0.00 C ATOM 767 O SER A 49 1.179 -1.006 -2.704 1.00 0.00 O ATOM 768 CB SER A 49 1.474 -3.173 -4.820 1.00 0.00 C ATOM 769 OG SER A 49 1.380 -4.493 -5.338 1.00 0.00 O ATOM 0 H SER A 49 0.030 -3.517 -2.565 1.00 0.00 H new ATOM 0 HA SER A 49 2.892 -3.710 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.504 -2.680 -4.892 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.173 -2.591 -5.421 1.00 0.00 H new ATOM 0 HG SER A 49 2.267 -4.797 -5.622 1.00 0.00 H new ATOM 775 N LEU A 50 3.390 -1.425 -2.583 1.00 0.00 N ATOM 776 CA LEU A 50 3.743 -0.090 -2.121 1.00 0.00 C ATOM 777 C LEU A 50 4.570 0.633 -3.175 1.00 0.00 C ATOM 778 O LEU A 50 4.968 0.040 -4.183 1.00 0.00 O ATOM 779 CB LEU A 50 4.531 -0.141 -0.801 1.00 0.00 C ATOM 780 CG LEU A 50 3.734 -0.545 0.446 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.471 -2.044 0.474 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.469 -0.108 1.703 1.00 0.00 C ATOM 0 H LEU A 50 4.183 -2.060 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 50 2.814 0.453 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.357 -0.841 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.969 0.841 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 50 2.769 -0.040 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.904 -2.297 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.900 -2.330 -0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.420 -2.580 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.893 -0.400 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.449 -0.585 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.593 0.975 1.694 1.00 0.00 H new ATOM 794 N LYS A 51 4.827 1.912 -2.934 1.00 0.00 N ATOM 795 CA LYS A 51 5.639 2.722 -3.830 1.00 0.00 C ATOM 796 C LYS A 51 7.113 2.633 -3.453 1.00 0.00 C ATOM 797 O LYS A 51 7.487 1.900 -2.534 1.00 0.00 O ATOM 798 CB LYS A 51 5.179 4.181 -3.789 1.00 0.00 C ATOM 799 CG LYS A 51 3.856 4.433 -4.492 1.00 0.00 C ATOM 800 CD LYS A 51 3.397 5.866 -4.300 1.00 0.00 C ATOM 801 CE LYS A 51 2.225 6.207 -5.206 1.00 0.00 C ATOM 802 NZ LYS A 51 1.098 5.252 -5.047 1.00 0.00 N ATOM 0 H LYS A 51 4.480 2.414 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 51 5.515 2.337 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.091 4.494 -2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.946 4.806 -4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.961 4.221 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.099 3.751 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.110 6.020 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.225 6.544 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.878 7.216 -4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.557 6.205 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.200 5.739 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.215 4.463 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.089 4.884 -4.074 1.00 0.00 H new ATOM 816 N THR A 52 7.944 3.385 -4.159 1.00 0.00 N ATOM 817 CA THR A 52 9.370 3.410 -3.891 1.00 0.00 C ATOM 818 C THR A 52 9.681 4.278 -2.667 1.00 0.00 C ATOM 819 O THR A 52 10.090 5.435 -2.779 1.00 0.00 O ATOM 820 CB THR A 52 10.172 3.890 -5.132 1.00 0.00 C ATOM 821 OG1 THR A 52 11.557 4.052 -4.808 1.00 0.00 O ATOM 822 CG2 THR A 52 9.618 5.196 -5.691 1.00 0.00 C ATOM 0 H THR A 52 7.650 3.989 -4.927 1.00 0.00 H new ATOM 0 HA THR A 52 9.683 2.389 -3.671 1.00 0.00 H new ATOM 0 HB THR A 52 10.070 3.121 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.046 4.353 -5.602 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.205 5.499 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.579 5.053 -5.989 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.673 5.971 -4.927 1.00 0.00 H new ATOM 830 N SER A 53 9.435 3.723 -1.492 1.00 0.00 N ATOM 831 CA SER A 53 9.739 4.403 -0.247 1.00 0.00 C ATOM 832 C SER A 53 11.166 4.068 0.186 1.00 0.00 C ATOM 833 O SER A 53 11.679 3.010 -0.168 1.00 0.00 O ATOM 834 CB SER A 53 8.734 3.983 0.824 1.00 0.00 C ATOM 835 OG SER A 53 7.404 4.142 0.357 1.00 0.00 O ATOM 0 H SER A 53 9.023 2.797 -1.376 1.00 0.00 H new ATOM 0 HA SER A 53 9.665 5.481 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.905 2.943 1.101 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.882 4.581 1.723 1.00 0.00 H new ATOM 0 HG SER A 53 6.896 3.322 0.531 1.00 0.00 H new ATOM 841 N PRO A 54 11.824 4.969 0.942 1.00 0.00 N ATOM 842 CA PRO A 54 13.219 4.791 1.381 1.00 0.00 C ATOM 843 C PRO A 54 13.519 3.390 1.920 1.00 0.00 C ATOM 844 O PRO A 54 14.407 2.702 1.413 1.00 0.00 O ATOM 845 CB PRO A 54 13.371 5.834 2.487 1.00 0.00 C ATOM 846 CG PRO A 54 12.424 6.918 2.112 1.00 0.00 C ATOM 847 CD PRO A 54 11.263 6.248 1.423 1.00 0.00 C ATOM 0 HA PRO A 54 13.915 4.910 0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.128 5.415 3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.395 6.204 2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.090 7.464 2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.903 7.641 1.452 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.431 6.086 2.108 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.884 6.853 0.599 1.00 0.00 H new ATOM 855 N GLU A 55 12.772 2.960 2.932 1.00 0.00 N ATOM 856 CA GLU A 55 13.005 1.654 3.544 1.00 0.00 C ATOM 857 C GLU A 55 12.634 0.523 2.587 1.00 0.00 C ATOM 858 O GLU A 55 13.257 -0.536 2.596 1.00 0.00 O ATOM 859 CB GLU A 55 12.226 1.498 4.856 1.00 0.00 C ATOM 860 CG GLU A 55 12.779 2.313 6.021 1.00 0.00 C ATOM 861 CD GLU A 55 12.463 3.789 5.920 1.00 0.00 C ATOM 862 OE1 GLU A 55 11.348 4.186 6.315 1.00 0.00 O ATOM 863 OE2 GLU A 55 13.326 4.556 5.455 1.00 0.00 O ATOM 0 H GLU A 55 12.005 3.491 3.344 1.00 0.00 H new ATOM 0 HA GLU A 55 14.070 1.594 3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.190 1.789 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.219 0.445 5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.371 1.924 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.860 2.182 6.067 1.00 0.00 H new ATOM 870 N LEU A 56 11.627 0.755 1.755 1.00 0.00 N ATOM 871 CA LEU A 56 11.176 -0.256 0.798 1.00 0.00 C ATOM 872 C LEU A 56 12.215 -0.452 -0.306 1.00 0.00 C ATOM 873 O LEU A 56 12.453 -1.574 -0.756 1.00 0.00 O ATOM 874 CB LEU A 56 9.819 0.125 0.187 1.00 0.00 C ATOM 875 CG LEU A 56 8.586 -0.165 1.059 1.00 0.00 C ATOM 876 CD1 LEU A 56 8.527 -1.640 1.427 1.00 0.00 C ATOM 877 CD2 LEU A 56 8.585 0.700 2.312 1.00 0.00 C ATOM 0 H LEU A 56 11.106 1.631 1.721 1.00 0.00 H new ATOM 0 HA LEU A 56 11.055 -1.195 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.833 1.190 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.705 -0.407 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 56 7.697 0.083 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.648 -1.826 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.466 -2.239 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.424 -1.913 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.702 0.474 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.481 0.494 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.571 1.752 2.028 1.00 0.00 H new ATOM 889 N ALA A 57 12.833 0.647 -0.730 1.00 0.00 N ATOM 890 CA ALA A 57 13.879 0.601 -1.743 1.00 0.00 C ATOM 891 C ALA A 57 15.089 -0.160 -1.220 1.00 0.00 C ATOM 892 O ALA A 57 15.739 -0.902 -1.955 1.00 0.00 O ATOM 893 CB ALA A 57 14.271 2.012 -2.170 1.00 0.00 C ATOM 0 H ALA A 57 12.625 1.584 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 57 13.494 0.075 -2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.053 1.959 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.401 2.522 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.639 2.565 -1.306 1.00 0.00 H new ATOM 899 N GLU A 58 15.379 0.027 0.059 1.00 0.00 N ATOM 900 CA GLU A 58 16.442 -0.709 0.720 1.00 0.00 C ATOM 901 C GLU A 58 16.065 -2.182 0.848 1.00 0.00 C ATOM 902 O GLU A 58 16.861 -3.072 0.534 1.00 0.00 O ATOM 903 CB GLU A 58 16.699 -0.116 2.100 1.00 0.00 C ATOM 904 CG GLU A 58 17.339 1.260 2.062 1.00 0.00 C ATOM 905 CD GLU A 58 18.692 1.247 1.386 1.00 0.00 C ATOM 906 OE1 GLU A 58 19.670 0.788 2.017 1.00 0.00 O ATOM 907 OE2 GLU A 58 18.787 1.678 0.216 1.00 0.00 O ATOM 0 H GLU A 58 14.888 0.687 0.662 1.00 0.00 H new ATOM 0 HA GLU A 58 17.350 -0.631 0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.755 -0.053 2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 58 17.344 -0.792 2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.679 1.950 1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.448 1.636 3.079 1.00 0.00 H new ATOM 914 N LEU A 59 14.840 -2.417 1.305 1.00 0.00 N ATOM 915 CA LEU A 59 14.306 -3.764 1.474 1.00 0.00 C ATOM 916 C LEU A 59 14.433 -4.562 0.179 1.00 0.00 C ATOM 917 O LEU A 59 14.816 -5.723 0.202 1.00 0.00 O ATOM 918 CB LEU A 59 12.839 -3.685 1.932 1.00 0.00 C ATOM 919 CG LEU A 59 12.199 -4.998 2.404 1.00 0.00 C ATOM 920 CD1 LEU A 59 11.042 -4.706 3.345 1.00 0.00 C ATOM 921 CD2 LEU A 59 11.704 -5.822 1.224 1.00 0.00 C ATOM 0 H LEU A 59 14.188 -1.678 1.569 1.00 0.00 H new ATOM 0 HA LEU A 59 14.884 -4.282 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.773 -2.962 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.244 -3.292 1.107 1.00 0.00 H new ATOM 0 HG LEU A 59 12.960 -5.573 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.595 -5.644 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.408 -4.155 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.292 -4.109 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.256 -6.746 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.959 -5.252 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.542 -6.059 0.569 1.00 0.00 H new ATOM 933 N LEU A 60 14.137 -3.918 -0.946 1.00 0.00 N ATOM 934 CA LEU A 60 14.200 -4.566 -2.256 1.00 0.00 C ATOM 935 C LEU A 60 15.581 -5.182 -2.516 1.00 0.00 C ATOM 936 O LEU A 60 15.694 -6.242 -3.136 1.00 0.00 O ATOM 937 CB LEU A 60 13.870 -3.547 -3.353 1.00 0.00 C ATOM 938 CG LEU A 60 13.857 -4.101 -4.781 1.00 0.00 C ATOM 939 CD1 LEU A 60 12.755 -5.139 -4.946 1.00 0.00 C ATOM 940 CD2 LEU A 60 13.686 -2.975 -5.789 1.00 0.00 C ATOM 0 H LEU A 60 13.849 -2.940 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 60 13.467 -5.373 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.893 -3.113 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.596 -2.736 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 60 14.814 -4.587 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.764 -5.519 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.923 -5.962 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.789 -4.680 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.679 -3.388 -6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.744 -2.459 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 60 14.512 -2.270 -5.691 1.00 0.00 H new ATOM 952 N ARG A 61 16.627 -4.503 -2.058 1.00 0.00 N ATOM 953 CA ARG A 61 17.989 -4.996 -2.224 1.00 0.00 C ATOM 954 C ARG A 61 18.308 -6.109 -1.224 1.00 0.00 C ATOM 955 O ARG A 61 18.805 -7.170 -1.602 1.00 0.00 O ATOM 956 CB ARG A 61 19.008 -3.858 -2.076 1.00 0.00 C ATOM 957 CG ARG A 61 19.195 -3.014 -3.331 1.00 0.00 C ATOM 958 CD ARG A 61 17.972 -2.168 -3.646 1.00 0.00 C ATOM 959 NE ARG A 61 18.165 -1.360 -4.853 1.00 0.00 N ATOM 960 CZ ARG A 61 17.684 -0.128 -5.018 1.00 0.00 C ATOM 961 NH1 ARG A 61 16.975 0.443 -4.054 1.00 0.00 N ATOM 962 NH2 ARG A 61 17.908 0.531 -6.151 1.00 0.00 N ATOM 0 H ARG A 61 16.558 -3.610 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 61 18.061 -5.407 -3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 61 18.693 -3.208 -1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 61 19.971 -4.283 -1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 61 20.060 -2.364 -3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 61 19.409 -3.667 -4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.106 -2.816 -3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.755 -1.514 -2.802 1.00 0.00 H new ATOM 0 HE ARG A 61 18.703 -1.767 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.797 -0.061 -3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.607 1.386 -4.181 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.449 0.094 -6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.539 1.474 -6.274 1.00 0.00 H new ATOM 976 N GLN A 62 18.008 -5.870 0.048 1.00 0.00 N ATOM 977 CA GLN A 62 18.405 -6.786 1.118 1.00 0.00 C ATOM 978 C GLN A 62 17.495 -8.014 1.195 1.00 0.00 C ATOM 979 O GLN A 62 17.969 -9.131 1.404 1.00 0.00 O ATOM 980 CB GLN A 62 18.426 -6.050 2.464 1.00 0.00 C ATOM 981 CG GLN A 62 19.737 -5.325 2.752 1.00 0.00 C ATOM 982 CD GLN A 62 20.151 -4.366 1.651 1.00 0.00 C ATOM 983 OE1 GLN A 62 20.850 -4.747 0.713 1.00 0.00 O ATOM 984 NE2 GLN A 62 19.749 -3.112 1.765 1.00 0.00 N ATOM 0 H GLN A 62 17.491 -5.050 0.366 1.00 0.00 H new ATOM 0 HA GLN A 62 19.409 -7.143 0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.610 -5.327 2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.236 -6.768 3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.640 -4.773 3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.527 -6.062 2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.170 -2.832 2.557 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.018 -2.424 1.061 1.00 0.00 H new ATOM 993 N GLN A 63 16.200 -7.807 1.021 1.00 0.00 N ATOM 994 CA GLN A 63 15.234 -8.893 1.085 1.00 0.00 C ATOM 995 C GLN A 63 14.489 -9.003 -0.239 1.00 0.00 C ATOM 996 O GLN A 63 13.487 -8.329 -0.460 1.00 0.00 O ATOM 997 CB GLN A 63 14.247 -8.671 2.233 1.00 0.00 C ATOM 998 CG GLN A 63 14.915 -8.537 3.592 1.00 0.00 C ATOM 999 CD GLN A 63 13.916 -8.456 4.727 1.00 0.00 C ATOM 1000 OE1 GLN A 63 13.472 -7.375 5.110 1.00 0.00 O ATOM 1001 NE2 GLN A 63 13.559 -9.605 5.278 1.00 0.00 N ATOM 0 H GLN A 63 15.791 -6.892 0.833 1.00 0.00 H new ATOM 0 HA GLN A 63 15.769 -9.825 1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.666 -7.771 2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.544 -9.504 2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.575 -9.389 3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.540 -7.644 3.599 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.951 -10.481 4.931 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.892 -9.615 6.050 1.00 0.00 H new ATOM 1010 N HIS A 64 14.993 -9.851 -1.119 1.00 0.00 N ATOM 1011 CA HIS A 64 14.463 -9.962 -2.470 1.00 0.00 C ATOM 1012 C HIS A 64 13.893 -11.363 -2.702 1.00 0.00 C ATOM 1013 O HIS A 64 13.414 -11.686 -3.788 1.00 0.00 O ATOM 1014 CB HIS A 64 15.582 -9.650 -3.473 1.00 0.00 C ATOM 1015 CG HIS A 64 15.147 -9.556 -4.906 1.00 0.00 C ATOM 1016 ND1 HIS A 64 15.979 -9.870 -5.955 1.00 0.00 N ATOM 1017 CD2 HIS A 64 13.971 -9.173 -5.465 1.00 0.00 C ATOM 1018 CE1 HIS A 64 15.342 -9.683 -7.095 1.00 0.00 C ATOM 1019 NE2 HIS A 64 14.119 -9.261 -6.828 1.00 0.00 N ATOM 0 H HIS A 64 15.774 -10.477 -0.922 1.00 0.00 H new ATOM 0 HA HIS A 64 13.652 -9.247 -2.608 1.00 0.00 H new ATOM 0 HB2 HIS A 64 16.050 -8.707 -3.189 1.00 0.00 H new ATOM 0 HB3 HIS A 64 16.347 -10.423 -3.392 1.00 0.00 H new ATOM 0 HD2 HIS A 64 13.084 -8.858 -4.936 1.00 0.00 H new ATOM 0 HE1 HIS A 64 15.751 -9.847 -8.081 1.00 0.00 H new ATOM 0 HE2 HIS A 64 13.403 -9.038 -7.519 1.00 0.00 H new ATOM 1028 N SER A 65 13.924 -12.184 -1.661 1.00 0.00 N ATOM 1029 CA SER A 65 13.432 -13.557 -1.741 1.00 0.00 C ATOM 1030 C SER A 65 11.920 -13.637 -1.510 1.00 0.00 C ATOM 1031 O SER A 65 11.422 -14.628 -0.977 1.00 0.00 O ATOM 1032 CB SER A 65 14.160 -14.426 -0.712 1.00 0.00 C ATOM 1033 OG SER A 65 15.554 -14.468 -0.972 1.00 0.00 O ATOM 0 H SER A 65 14.287 -11.923 -0.744 1.00 0.00 H new ATOM 0 HA SER A 65 13.633 -13.924 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.986 -14.032 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.753 -15.437 -0.732 1.00 0.00 H new ATOM 0 HG SER A 65 15.995 -15.028 -0.300 1.00 0.00 H new ATOM 1039 N ASP A 66 11.190 -12.612 -1.939 1.00 0.00 N ATOM 1040 CA ASP A 66 9.737 -12.586 -1.768 1.00 0.00 C ATOM 1041 C ASP A 66 9.105 -11.502 -2.627 1.00 0.00 C ATOM 1042 O ASP A 66 8.272 -11.784 -3.494 1.00 0.00 O ATOM 1043 CB ASP A 66 9.367 -12.346 -0.304 1.00 0.00 C ATOM 1044 CG ASP A 66 7.874 -12.454 -0.059 1.00 0.00 C ATOM 1045 OD1 ASP A 66 7.157 -11.448 -0.248 1.00 0.00 O ATOM 1046 OD2 ASP A 66 7.419 -13.553 0.339 1.00 0.00 O ATOM 0 H ASP A 66 11.576 -11.791 -2.406 1.00 0.00 H new ATOM 0 HA ASP A 66 9.355 -13.557 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.888 -13.069 0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.711 -11.357 -0.003 1.00 0.00 H new ATOM 1051 N VAL A 67 9.518 -10.262 -2.376 1.00 0.00 N ATOM 1052 CA VAL A 67 8.963 -9.101 -3.058 1.00 0.00 C ATOM 1053 C VAL A 67 9.130 -9.199 -4.573 1.00 0.00 C ATOM 1054 O VAL A 67 10.244 -9.294 -5.093 1.00 0.00 O ATOM 1055 CB VAL A 67 9.589 -7.784 -2.546 1.00 0.00 C ATOM 1056 CG1 VAL A 67 9.155 -7.517 -1.115 1.00 0.00 C ATOM 1057 CG2 VAL A 67 11.111 -7.817 -2.635 1.00 0.00 C ATOM 0 H VAL A 67 10.244 -10.037 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 67 7.897 -9.090 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 67 9.233 -6.976 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.603 -6.586 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.069 -7.435 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.481 -8.338 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.518 -6.875 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.493 -8.639 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.412 -7.961 -3.673 1.00 0.00 H new ATOM 1067 N ARG A 68 8.006 -9.178 -5.270 1.00 0.00 N ATOM 1068 CA ARG A 68 7.991 -9.301 -6.717 1.00 0.00 C ATOM 1069 C ARG A 68 7.102 -8.225 -7.330 1.00 0.00 C ATOM 1070 O ARG A 68 5.875 -8.315 -7.276 1.00 0.00 O ATOM 1071 CB ARG A 68 7.517 -10.702 -7.124 1.00 0.00 C ATOM 1072 CG ARG A 68 8.554 -11.786 -6.870 1.00 0.00 C ATOM 1073 CD ARG A 68 7.980 -13.184 -7.058 1.00 0.00 C ATOM 1074 NE ARG A 68 7.153 -13.602 -5.923 1.00 0.00 N ATOM 1075 CZ ARG A 68 6.206 -14.544 -5.996 1.00 0.00 C ATOM 1076 NH1 ARG A 68 5.878 -15.071 -7.169 1.00 0.00 N ATOM 1077 NH2 ARG A 68 5.562 -14.937 -4.901 1.00 0.00 N ATOM 0 H ARG A 68 7.082 -9.076 -4.850 1.00 0.00 H new ATOM 0 HA ARG A 68 9.004 -9.160 -7.095 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.607 -10.944 -6.575 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.259 -10.697 -8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.397 -11.647 -7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.940 -11.687 -5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.382 -13.210 -7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.796 -13.895 -7.192 1.00 0.00 H new ATOM 0 HE ARG A 68 7.309 -13.147 -5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.348 -14.758 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.156 -15.789 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.789 -14.520 -3.998 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.841 -15.656 -4.964 1.00 0.00 H new ATOM 1091 N PRO A 69 7.721 -7.178 -7.898 1.00 0.00 N ATOM 1092 CA PRO A 69 7.001 -6.054 -8.518 1.00 0.00 C ATOM 1093 C PRO A 69 6.067 -6.500 -9.640 1.00 0.00 C ATOM 1094 O PRO A 69 4.947 -5.997 -9.762 1.00 0.00 O ATOM 1095 CB PRO A 69 8.128 -5.185 -9.093 1.00 0.00 C ATOM 1096 CG PRO A 69 9.336 -5.546 -8.305 1.00 0.00 C ATOM 1097 CD PRO A 69 9.182 -7.001 -7.973 1.00 0.00 C ATOM 0 HA PRO A 69 6.362 -5.542 -7.799 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.276 -5.383 -10.155 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.897 -4.124 -8.996 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.246 -5.369 -8.879 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.408 -4.943 -7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.626 -7.638 -8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.667 -7.252 -7.030 1.00 0.00 H new ATOM 1105 N SER A 70 6.543 -7.459 -10.441 1.00 0.00 N ATOM 1106 CA SER A 70 5.824 -7.959 -11.617 1.00 0.00 C ATOM 1107 C SER A 70 5.843 -6.925 -12.746 1.00 0.00 C ATOM 1108 O SER A 70 5.828 -5.717 -12.507 1.00 0.00 O ATOM 1109 CB SER A 70 4.379 -8.350 -11.267 1.00 0.00 C ATOM 1110 OG SER A 70 3.720 -8.941 -12.377 1.00 0.00 O ATOM 0 H SER A 70 7.444 -7.913 -10.290 1.00 0.00 H new ATOM 0 HA SER A 70 6.339 -8.856 -11.961 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.382 -9.048 -10.430 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.829 -7.466 -10.944 1.00 0.00 H new ATOM 0 HG SER A 70 2.804 -9.181 -12.124 1.00 0.00 H new ATOM 1116 N ARG A 71 5.871 -7.406 -13.984 1.00 0.00 N ATOM 1117 CA ARG A 71 5.945 -6.526 -15.144 1.00 0.00 C ATOM 1118 C ARG A 71 4.585 -5.875 -15.409 1.00 0.00 C ATOM 1119 O ARG A 71 4.452 -5.005 -16.269 1.00 0.00 O ATOM 1120 CB ARG A 71 6.424 -7.316 -16.370 1.00 0.00 C ATOM 1121 CG ARG A 71 6.652 -6.463 -17.609 1.00 0.00 C ATOM 1122 CD ARG A 71 7.317 -7.257 -18.721 1.00 0.00 C ATOM 1123 NE ARG A 71 6.544 -8.436 -19.111 1.00 0.00 N ATOM 1124 CZ ARG A 71 6.747 -9.112 -20.237 1.00 0.00 C ATOM 1125 NH1 ARG A 71 7.665 -8.707 -21.108 1.00 0.00 N ATOM 1126 NH2 ARG A 71 6.020 -10.189 -20.499 1.00 0.00 N ATOM 0 H ARG A 71 5.844 -8.400 -14.210 1.00 0.00 H new ATOM 0 HA ARG A 71 6.664 -5.732 -14.942 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.353 -7.828 -16.119 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.688 -8.086 -16.603 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.698 -6.071 -17.962 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.274 -5.606 -17.352 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.454 -6.613 -19.590 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.309 -7.569 -18.396 1.00 0.00 H new ATOM 0 HE ARG A 71 5.807 -8.758 -18.483 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.219 -7.873 -20.914 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.816 -9.230 -21.970 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.307 -10.497 -19.837 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.173 -10.710 -21.362 1.00 0.00 H new ATOM 1140 N HIS A 72 3.581 -6.290 -14.648 1.00 0.00 N ATOM 1141 CA HIS A 72 2.246 -5.723 -14.773 1.00 0.00 C ATOM 1142 C HIS A 72 2.211 -4.320 -14.179 1.00 0.00 C ATOM 1143 O HIS A 72 1.455 -3.460 -14.631 1.00 0.00 O ATOM 1144 CB HIS A 72 1.225 -6.610 -14.058 1.00 0.00 C ATOM 1145 CG HIS A 72 0.087 -7.043 -14.927 1.00 0.00 C ATOM 1146 ND1 HIS A 72 -0.059 -8.338 -15.372 1.00 0.00 N ATOM 1147 CD2 HIS A 72 -0.972 -6.357 -15.415 1.00 0.00 C ATOM 1148 CE1 HIS A 72 -1.156 -8.429 -16.099 1.00 0.00 C ATOM 1149 NE2 HIS A 72 -1.730 -7.242 -16.141 1.00 0.00 N ATOM 0 H HIS A 72 3.666 -7.017 -13.938 1.00 0.00 H new ATOM 0 HA HIS A 72 1.992 -5.668 -15.831 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.733 -7.494 -13.673 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.828 -6.070 -13.198 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.182 -5.309 -15.262 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.522 -9.324 -16.579 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.595 -7.018 -16.632 1.00 0.00 H new ATOM 1158 N LEU A 73 3.034 -4.098 -13.162 1.00 0.00 N ATOM 1159 CA LEU A 73 3.081 -2.812 -12.476 1.00 0.00 C ATOM 1160 C LEU A 73 4.372 -2.070 -12.801 1.00 0.00 C ATOM 1161 O LEU A 73 4.419 -0.839 -12.743 1.00 0.00 O ATOM 1162 CB LEU A 73 2.967 -3.020 -10.964 1.00 0.00 C ATOM 1163 CG LEU A 73 1.670 -3.683 -10.496 1.00 0.00 C ATOM 1164 CD1 LEU A 73 1.737 -4.002 -9.010 1.00 0.00 C ATOM 1165 CD2 LEU A 73 0.475 -2.789 -10.794 1.00 0.00 C ATOM 0 H LEU A 73 3.681 -4.795 -12.792 1.00 0.00 H new ATOM 0 HA LEU A 73 2.241 -2.210 -12.821 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.808 -3.629 -10.632 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.060 -2.052 -10.472 1.00 0.00 H new ATOM 0 HG LEU A 73 1.547 -4.618 -11.043 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.805 -4.473 -8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.568 -4.681 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.885 -3.081 -8.446 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.438 -3.277 -10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.593 -1.838 -10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.413 -2.610 -11.867 1.00 0.00 H new ATOM 1177 N ASN A 74 5.401 -2.842 -13.160 1.00 0.00 N ATOM 1178 CA ASN A 74 6.743 -2.333 -13.456 1.00 0.00 C ATOM 1179 C ASN A 74 7.481 -1.966 -12.165 1.00 0.00 C ATOM 1180 O ASN A 74 6.895 -1.395 -11.242 1.00 0.00 O ATOM 1181 CB ASN A 74 6.691 -1.140 -14.418 1.00 0.00 C ATOM 1182 CG ASN A 74 8.065 -0.703 -14.890 1.00 0.00 C ATOM 1183 OD1 ASN A 74 8.987 -1.513 -14.995 1.00 0.00 O ATOM 1184 ND2 ASN A 74 8.206 0.576 -15.195 1.00 0.00 N ATOM 0 H ASN A 74 5.324 -3.855 -13.255 1.00 0.00 H new ATOM 0 HA ASN A 74 7.299 -3.129 -13.952 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.082 -1.403 -15.283 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.198 -0.302 -13.924 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.104 0.924 -15.531 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.417 1.214 -15.094 1.00 0.00 H new ATOM 1191 N LYS A 75 8.771 -2.292 -12.126 1.00 0.00 N ATOM 1192 CA LYS A 75 9.572 -2.231 -10.899 1.00 0.00 C ATOM 1193 C LYS A 75 9.507 -0.871 -10.206 1.00 0.00 C ATOM 1194 O LYS A 75 9.116 -0.780 -9.045 1.00 0.00 O ATOM 1195 CB LYS A 75 11.032 -2.568 -11.204 1.00 0.00 C ATOM 1196 CG LYS A 75 11.231 -3.945 -11.814 1.00 0.00 C ATOM 1197 CD LYS A 75 12.708 -4.284 -11.946 1.00 0.00 C ATOM 1198 CE LYS A 75 13.440 -3.299 -12.845 1.00 0.00 C ATOM 1199 NZ LYS A 75 14.904 -3.551 -12.860 1.00 0.00 N ATOM 0 H LYS A 75 9.294 -2.607 -12.943 1.00 0.00 H new ATOM 0 HA LYS A 75 9.144 -2.966 -10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.433 -1.818 -11.886 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.610 -2.503 -10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.738 -4.694 -11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.758 -3.982 -12.795 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.169 -4.286 -10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.814 -5.291 -12.349 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.048 -3.372 -13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.249 -2.282 -12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.369 -2.860 -13.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.282 -3.457 -11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.087 -4.513 -13.211 1.00 0.00 H new ATOM 1213 N ALA A 76 9.884 0.185 -10.915 1.00 0.00 N ATOM 1214 CA ALA A 76 9.976 1.515 -10.314 1.00 0.00 C ATOM 1215 C ALA A 76 8.609 2.194 -10.199 1.00 0.00 C ATOM 1216 O ALA A 76 8.518 3.420 -10.135 1.00 0.00 O ATOM 1217 CB ALA A 76 10.935 2.385 -11.113 1.00 0.00 C ATOM 0 H ALA A 76 10.131 0.150 -11.904 1.00 0.00 H new ATOM 0 HA ALA A 76 10.359 1.390 -9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.996 3.373 -10.657 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.924 1.926 -11.119 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.573 2.480 -12.137 1.00 0.00 H new ATOM 1223 N HIS A 77 7.548 1.401 -10.170 1.00 0.00 N ATOM 1224 CA HIS A 77 6.207 1.930 -9.968 1.00 0.00 C ATOM 1225 C HIS A 77 5.612 1.345 -8.701 1.00 0.00 C ATOM 1226 O HIS A 77 5.246 2.074 -7.779 1.00 0.00 O ATOM 1227 CB HIS A 77 5.293 1.613 -11.154 1.00 0.00 C ATOM 1228 CG HIS A 77 5.656 2.323 -12.420 1.00 0.00 C ATOM 1229 ND1 HIS A 77 5.151 1.958 -13.647 1.00 0.00 N ATOM 1230 CD2 HIS A 77 6.466 3.382 -12.650 1.00 0.00 C ATOM 1231 CE1 HIS A 77 5.628 2.766 -14.572 1.00 0.00 C ATOM 1232 NE2 HIS A 77 6.433 3.638 -13.998 1.00 0.00 N ATOM 0 H HIS A 77 7.590 0.388 -10.284 1.00 0.00 H new ATOM 0 HA HIS A 77 6.284 3.014 -9.879 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.313 0.538 -11.336 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.268 1.872 -10.887 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.508 1.184 -13.814 1.00 0.00 H new ATOM 0 HD2 HIS A 77 7.034 3.926 -11.909 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.398 2.721 -15.626 1.00 0.00 H new ATOM 1241 N TRP A 78 5.527 0.022 -8.665 1.00 0.00 N ATOM 1242 CA TRP A 78 4.977 -0.681 -7.522 1.00 0.00 C ATOM 1243 C TRP A 78 5.847 -1.878 -7.163 1.00 0.00 C ATOM 1244 O TRP A 78 6.452 -2.503 -8.034 1.00 0.00 O ATOM 1245 CB TRP A 78 3.558 -1.178 -7.817 1.00 0.00 C ATOM 1246 CG TRP A 78 2.568 -0.093 -8.104 1.00 0.00 C ATOM 1247 CD1 TRP A 78 2.236 0.409 -9.328 1.00 0.00 C ATOM 1248 CD2 TRP A 78 1.771 0.612 -7.149 1.00 0.00 C ATOM 1249 NE1 TRP A 78 1.286 1.389 -9.192 1.00 0.00 N ATOM 1250 CE2 TRP A 78 0.981 1.532 -7.864 1.00 0.00 C ATOM 1251 CE3 TRP A 78 1.648 0.557 -5.760 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 0.083 2.387 -7.236 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 0.755 1.406 -5.137 1.00 0.00 C ATOM 1254 CH2 TRP A 78 -0.019 2.310 -5.874 1.00 0.00 C ATOM 0 H TRP A 78 5.836 -0.587 -9.423 1.00 0.00 H new ATOM 0 HA TRP A 78 4.950 0.020 -6.688 1.00 0.00 H new ATOM 0 HB2 TRP A 78 3.594 -1.855 -8.671 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.205 -1.758 -6.964 1.00 0.00 H new ATOM 0 HD1 TRP A 78 2.659 0.083 -10.267 1.00 0.00 H new ATOM 0 HE1 TRP A 78 0.873 1.925 -9.956 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.241 -0.137 -5.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.513 3.087 -7.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.652 1.372 -4.062 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.710 2.959 -5.357 1.00 0.00 H new ATOM 1265 N SER A 79 5.895 -2.198 -5.884 1.00 0.00 N ATOM 1266 CA SER A 79 6.561 -3.402 -5.428 1.00 0.00 C ATOM 1267 C SER A 79 5.589 -4.212 -4.596 1.00 0.00 C ATOM 1268 O SER A 79 4.913 -3.679 -3.714 1.00 0.00 O ATOM 1269 CB SER A 79 7.815 -3.064 -4.622 1.00 0.00 C ATOM 1270 OG SER A 79 8.506 -4.238 -4.223 1.00 0.00 O ATOM 0 H SER A 79 5.479 -1.638 -5.140 1.00 0.00 H new ATOM 0 HA SER A 79 6.879 -3.987 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.476 -2.437 -5.220 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.538 -2.486 -3.741 1.00 0.00 H new ATOM 0 HG SER A 79 9.304 -3.990 -3.711 1.00 0.00 H new ATOM 1276 N THR A 80 5.509 -5.491 -4.891 1.00 0.00 N ATOM 1277 CA THR A 80 4.498 -6.343 -4.297 1.00 0.00 C ATOM 1278 C THR A 80 5.097 -7.279 -3.255 1.00 0.00 C ATOM 1279 O THR A 80 5.926 -8.133 -3.571 1.00 0.00 O ATOM 1280 CB THR A 80 3.769 -7.163 -5.380 1.00 0.00 C ATOM 1281 OG1 THR A 80 3.281 -6.284 -6.404 1.00 0.00 O ATOM 1282 CG2 THR A 80 2.606 -7.947 -4.792 1.00 0.00 C ATOM 0 H THR A 80 6.134 -5.967 -5.541 1.00 0.00 H new ATOM 0 HA THR A 80 3.779 -5.693 -3.799 1.00 0.00 H new ATOM 0 HB THR A 80 4.481 -7.872 -5.803 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.819 -6.808 -7.092 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.113 -8.514 -5.582 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.977 -8.633 -4.030 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.892 -7.257 -4.342 1.00 0.00 H new ATOM 1290 N VAL A 81 4.668 -7.098 -2.014 1.00 0.00 N ATOM 1291 CA VAL A 81 5.113 -7.933 -0.909 1.00 0.00 C ATOM 1292 C VAL A 81 4.105 -9.053 -0.671 1.00 0.00 C ATOM 1293 O VAL A 81 2.908 -8.792 -0.507 1.00 0.00 O ATOM 1294 CB VAL A 81 5.274 -7.106 0.388 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.836 -7.965 1.512 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.153 -5.889 0.146 1.00 0.00 C ATOM 0 H VAL A 81 4.004 -6.371 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 81 6.083 -8.354 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 81 4.287 -6.756 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.940 -7.362 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.159 -8.796 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.812 -8.353 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.252 -5.322 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.138 -6.213 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.699 -5.259 -0.619 1.00 0.00 H new ATOM 1306 N TYR A 82 4.580 -10.290 -0.663 1.00 0.00 N ATOM 1307 CA TYR A 82 3.708 -11.437 -0.486 1.00 0.00 C ATOM 1308 C TYR A 82 3.684 -11.869 0.974 1.00 0.00 C ATOM 1309 O TYR A 82 4.723 -12.149 1.570 1.00 0.00 O ATOM 1310 CB TYR A 82 4.156 -12.602 -1.379 1.00 0.00 C ATOM 1311 CG TYR A 82 3.921 -12.368 -2.858 1.00 0.00 C ATOM 1312 CD1 TYR A 82 4.795 -11.591 -3.613 1.00 0.00 C ATOM 1313 CD2 TYR A 82 2.823 -12.927 -3.499 1.00 0.00 C ATOM 1314 CE1 TYR A 82 4.579 -11.378 -4.963 1.00 0.00 C ATOM 1315 CE2 TYR A 82 2.601 -12.721 -4.849 1.00 0.00 C ATOM 1316 CZ TYR A 82 3.482 -11.946 -5.577 1.00 0.00 C ATOM 1317 OH TYR A 82 3.261 -11.739 -6.923 1.00 0.00 O ATOM 0 H TYR A 82 5.566 -10.523 -0.777 1.00 0.00 H new ATOM 0 HA TYR A 82 2.699 -11.146 -0.779 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.218 -12.786 -1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.626 -13.505 -1.075 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.657 -11.147 -3.137 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.130 -13.533 -2.934 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.266 -10.770 -5.533 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.742 -13.164 -5.331 1.00 0.00 H new ATOM 0 HH TYR A 82 2.601 -12.386 -7.249 1.00 0.00 H new ATOM 1327 N LEU A 83 2.495 -11.923 1.554 1.00 0.00 N ATOM 1328 CA LEU A 83 2.345 -12.334 2.944 1.00 0.00 C ATOM 1329 C LEU A 83 2.415 -13.855 3.070 1.00 0.00 C ATOM 1330 O LEU A 83 1.487 -14.509 3.554 1.00 0.00 O ATOM 1331 CB LEU A 83 1.035 -11.794 3.525 1.00 0.00 C ATOM 1332 CG LEU A 83 0.933 -10.266 3.567 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.378 -9.834 4.201 1.00 0.00 C ATOM 1334 CD2 LEU A 83 2.110 -9.669 4.327 1.00 0.00 C ATOM 0 H LEU A 83 1.620 -11.688 1.086 1.00 0.00 H new ATOM 0 HA LEU A 83 3.170 -11.913 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.205 -12.184 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.916 -12.180 4.537 1.00 0.00 H new ATOM 0 HG LEU A 83 0.960 -9.896 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.431 -8.745 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.211 -10.227 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.434 -10.219 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.018 -8.583 4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.114 -10.050 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.041 -9.946 3.832 1.00 0.00 H new ATOM 1346 N ASP A 84 3.528 -14.405 2.613 1.00 0.00 N ATOM 1347 CA ASP A 84 3.774 -15.838 2.682 1.00 0.00 C ATOM 1348 C ASP A 84 4.460 -16.189 3.995 1.00 0.00 C ATOM 1349 O ASP A 84 4.365 -17.314 4.483 1.00 0.00 O ATOM 1350 CB ASP A 84 4.633 -16.275 1.491 1.00 0.00 C ATOM 1351 CG ASP A 84 4.965 -17.753 1.512 1.00 0.00 C ATOM 1352 OD1 ASP A 84 4.039 -18.576 1.375 1.00 0.00 O ATOM 1353 OD2 ASP A 84 6.158 -18.097 1.654 1.00 0.00 O ATOM 0 H ASP A 84 4.285 -13.873 2.184 1.00 0.00 H new ATOM 0 HA ASP A 84 2.822 -16.368 2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.108 -16.039 0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.559 -15.700 1.488 1.00 0.00 H new ATOM 1358 N GLY A 85 5.130 -15.205 4.578 1.00 0.00 N ATOM 1359 CA GLY A 85 5.802 -15.421 5.843 1.00 0.00 C ATOM 1360 C GLY A 85 7.247 -14.969 5.819 1.00 0.00 C ATOM 1361 O GLY A 85 7.957 -15.082 6.818 1.00 0.00 O ATOM 0 H GLY A 85 5.220 -14.263 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.270 -14.885 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.761 -16.480 6.096 1.00 0.00 H new ATOM 1365 N SER A 86 7.686 -14.465 4.674 1.00 0.00 N ATOM 1366 CA SER A 86 9.048 -13.977 4.524 1.00 0.00 C ATOM 1367 C SER A 86 9.269 -12.722 5.367 1.00 0.00 C ATOM 1368 O SER A 86 10.322 -12.548 5.987 1.00 0.00 O ATOM 1369 CB SER A 86 9.319 -13.679 3.053 1.00 0.00 C ATOM 1370 OG SER A 86 8.821 -14.722 2.230 1.00 0.00 O ATOM 0 H SER A 86 7.115 -14.384 3.833 1.00 0.00 H new ATOM 0 HA SER A 86 9.739 -14.744 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.850 -12.735 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.391 -13.562 2.892 1.00 0.00 H new ATOM 0 HG SER A 86 8.184 -14.353 1.583 1.00 0.00 H new ATOM 1376 N LEU A 87 8.268 -11.854 5.384 1.00 0.00 N ATOM 1377 CA LEU A 87 8.323 -10.631 6.171 1.00 0.00 C ATOM 1378 C LEU A 87 7.591 -10.832 7.494 1.00 0.00 C ATOM 1379 O LEU A 87 6.603 -11.564 7.550 1.00 0.00 O ATOM 1380 CB LEU A 87 7.705 -9.452 5.401 1.00 0.00 C ATOM 1381 CG LEU A 87 8.556 -8.865 4.265 1.00 0.00 C ATOM 1382 CD1 LEU A 87 9.942 -8.492 4.769 1.00 0.00 C ATOM 1383 CD2 LEU A 87 8.651 -9.828 3.089 1.00 0.00 C ATOM 0 H LEU A 87 7.403 -11.976 4.858 1.00 0.00 H new ATOM 0 HA LEU A 87 9.369 -10.397 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.752 -9.777 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.486 -8.655 6.112 1.00 0.00 H new ATOM 0 HG LEU A 87 8.062 -7.959 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.528 -8.078 3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.853 -7.750 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.439 -9.381 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.260 -9.383 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.109 -10.760 3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.652 -10.031 2.703 1.00 0.00 H new ATOM 1395 N PRO A 88 8.069 -10.196 8.575 1.00 0.00 N ATOM 1396 CA PRO A 88 7.463 -10.328 9.905 1.00 0.00 C ATOM 1397 C PRO A 88 6.086 -9.671 9.991 1.00 0.00 C ATOM 1398 O PRO A 88 5.727 -8.839 9.157 1.00 0.00 O ATOM 1399 CB PRO A 88 8.457 -9.614 10.824 1.00 0.00 C ATOM 1400 CG PRO A 88 9.171 -8.652 9.939 1.00 0.00 C ATOM 1401 CD PRO A 88 9.242 -9.305 8.588 1.00 0.00 C ATOM 0 HA PRO A 88 7.292 -11.372 10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.945 -9.099 11.636 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.150 -10.320 11.281 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.639 -7.702 9.886 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.169 -8.437 10.321 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.197 -8.570 7.784 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.170 -9.862 8.459 1.00 0.00 H new ATOM 1409 N ASP A 89 5.334 -10.036 11.023 1.00 0.00 N ATOM 1410 CA ASP A 89 3.977 -9.528 11.222 1.00 0.00 C ATOM 1411 C ASP A 89 4.007 -8.027 11.494 1.00 0.00 C ATOM 1412 O ASP A 89 3.156 -7.277 11.017 1.00 0.00 O ATOM 1413 CB ASP A 89 3.317 -10.258 12.397 1.00 0.00 C ATOM 1414 CG ASP A 89 1.824 -10.011 12.496 1.00 0.00 C ATOM 1415 OD1 ASP A 89 1.417 -8.887 12.838 1.00 0.00 O ATOM 1416 OD2 ASP A 89 1.050 -10.963 12.258 1.00 0.00 O ATOM 0 H ASP A 89 5.643 -10.689 11.743 1.00 0.00 H new ATOM 0 HA ASP A 89 3.398 -9.707 10.316 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.495 -11.329 12.296 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.793 -9.942 13.325 1.00 0.00 H new ATOM 1421 N SER A 90 5.014 -7.600 12.246 1.00 0.00 N ATOM 1422 CA SER A 90 5.183 -6.196 12.605 1.00 0.00 C ATOM 1423 C SER A 90 5.364 -5.320 11.363 1.00 0.00 C ATOM 1424 O SER A 90 5.021 -4.134 11.370 1.00 0.00 O ATOM 1425 CB SER A 90 6.388 -6.052 13.533 1.00 0.00 C ATOM 1426 OG SER A 90 6.305 -6.973 14.611 1.00 0.00 O ATOM 0 H SER A 90 5.735 -8.215 12.624 1.00 0.00 H new ATOM 0 HA SER A 90 4.282 -5.859 13.118 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.307 -6.223 12.973 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.435 -5.034 13.921 1.00 0.00 H new ATOM 0 HG SER A 90 7.086 -6.867 15.193 1.00 0.00 H new ATOM 1432 N GLN A 91 5.902 -5.915 10.300 1.00 0.00 N ATOM 1433 CA GLN A 91 6.161 -5.200 9.056 1.00 0.00 C ATOM 1434 C GLN A 91 4.855 -4.694 8.444 1.00 0.00 C ATOM 1435 O GLN A 91 4.818 -3.629 7.826 1.00 0.00 O ATOM 1436 CB GLN A 91 6.874 -6.126 8.064 1.00 0.00 C ATOM 1437 CG GLN A 91 7.398 -5.424 6.824 1.00 0.00 C ATOM 1438 CD GLN A 91 8.594 -4.538 7.115 1.00 0.00 C ATOM 1439 OE1 GLN A 91 9.376 -4.808 8.025 1.00 0.00 O ATOM 1440 NE2 GLN A 91 8.747 -3.478 6.342 1.00 0.00 N ATOM 0 H GLN A 91 6.168 -6.899 10.278 1.00 0.00 H new ATOM 0 HA GLN A 91 6.798 -4.343 9.274 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.707 -6.612 8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.184 -6.913 7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.676 -6.170 6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.601 -4.821 6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.076 -3.289 5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.536 -2.849 6.490 1.00 0.00 H new ATOM 1449 N ILE A 92 3.788 -5.461 8.646 1.00 0.00 N ATOM 1450 CA ILE A 92 2.488 -5.163 8.057 1.00 0.00 C ATOM 1451 C ILE A 92 1.956 -3.814 8.540 1.00 0.00 C ATOM 1452 O ILE A 92 1.411 -3.039 7.752 1.00 0.00 O ATOM 1453 CB ILE A 92 1.468 -6.276 8.386 1.00 0.00 C ATOM 1454 CG1 ILE A 92 2.025 -7.640 7.964 1.00 0.00 C ATOM 1455 CG2 ILE A 92 0.146 -6.010 7.690 1.00 0.00 C ATOM 1456 CD1 ILE A 92 1.134 -8.806 8.337 1.00 0.00 C ATOM 0 H ILE A 92 3.800 -6.304 9.221 1.00 0.00 H new ATOM 0 HA ILE A 92 2.623 -5.114 6.976 1.00 0.00 H new ATOM 0 HB ILE A 92 1.295 -6.282 9.462 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.177 -7.642 6.885 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.003 -7.781 8.424 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.560 -6.804 7.934 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.255 -5.053 8.024 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.302 -5.981 6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.595 -9.737 8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.002 -8.831 9.419 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.163 -8.690 7.856 1.00 0.00 H new ATOM 1468 N TYR A 93 2.129 -3.528 9.833 1.00 0.00 N ATOM 1469 CA TYR A 93 1.706 -2.244 10.395 1.00 0.00 C ATOM 1470 C TYR A 93 2.420 -1.088 9.710 1.00 0.00 C ATOM 1471 O TYR A 93 1.800 -0.083 9.355 1.00 0.00 O ATOM 1472 CB TYR A 93 1.968 -2.180 11.902 1.00 0.00 C ATOM 1473 CG TYR A 93 0.909 -2.858 12.744 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -0.417 -2.439 12.697 1.00 0.00 C ATOM 1475 CD2 TYR A 93 1.237 -3.899 13.602 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -1.384 -3.042 13.479 1.00 0.00 C ATOM 1477 CE2 TYR A 93 0.273 -4.507 14.385 1.00 0.00 C ATOM 1478 CZ TYR A 93 -1.035 -4.074 14.320 1.00 0.00 C ATOM 1479 OH TYR A 93 -1.994 -4.673 15.105 1.00 0.00 O ATOM 0 H TYR A 93 2.556 -4.164 10.506 1.00 0.00 H new ATOM 0 HA TYR A 93 0.633 -2.157 10.222 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.933 -2.641 12.112 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.042 -1.135 12.203 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.695 -1.629 12.039 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.260 -4.239 13.659 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.409 -2.705 13.430 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.543 -5.318 15.045 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.582 -5.384 15.639 1.00 0.00 H new ATOM 1489 N TYR A 94 3.723 -1.250 9.513 1.00 0.00 N ATOM 1490 CA TYR A 94 4.541 -0.220 8.894 1.00 0.00 C ATOM 1491 C TYR A 94 4.086 0.062 7.466 1.00 0.00 C ATOM 1492 O TYR A 94 3.993 1.218 7.057 1.00 0.00 O ATOM 1493 CB TYR A 94 6.018 -0.635 8.909 1.00 0.00 C ATOM 1494 CG TYR A 94 6.905 0.243 8.049 1.00 0.00 C ATOM 1495 CD1 TYR A 94 7.297 1.506 8.477 1.00 0.00 C ATOM 1496 CD2 TYR A 94 7.331 -0.188 6.800 1.00 0.00 C ATOM 1497 CE1 TYR A 94 8.086 2.315 7.680 1.00 0.00 C ATOM 1498 CE2 TYR A 94 8.123 0.610 6.002 1.00 0.00 C ATOM 1499 CZ TYR A 94 8.496 1.861 6.444 1.00 0.00 C ATOM 1500 OH TYR A 94 9.269 2.665 5.639 1.00 0.00 O ATOM 0 H TYR A 94 4.236 -2.091 9.776 1.00 0.00 H new ATOM 0 HA TYR A 94 4.424 0.697 9.472 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.383 -0.610 9.936 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.100 -1.666 8.566 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.981 1.861 9.447 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.037 -1.165 6.447 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.379 3.296 8.023 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.450 0.256 5.035 1.00 0.00 H new ATOM 0 HH TYR A 94 10.017 3.026 6.159 1.00 0.00 H new ATOM 1510 N LEU A 95 3.792 -1.000 6.723 1.00 0.00 N ATOM 1511 CA LEU A 95 3.426 -0.885 5.314 1.00 0.00 C ATOM 1512 C LEU A 95 2.240 0.057 5.116 1.00 0.00 C ATOM 1513 O LEU A 95 2.233 0.873 4.194 1.00 0.00 O ATOM 1514 CB LEU A 95 3.091 -2.264 4.739 1.00 0.00 C ATOM 1515 CG LEU A 95 4.218 -3.296 4.823 1.00 0.00 C ATOM 1516 CD1 LEU A 95 3.760 -4.633 4.264 1.00 0.00 C ATOM 1517 CD2 LEU A 95 5.456 -2.801 4.088 1.00 0.00 C ATOM 0 H LEU A 95 3.800 -1.957 7.076 1.00 0.00 H new ATOM 0 HA LEU A 95 4.283 -0.468 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.220 -2.657 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.806 -2.145 3.694 1.00 0.00 H new ATOM 0 HG LEU A 95 4.478 -3.435 5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.575 -5.354 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.907 -4.994 4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.470 -4.511 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.245 -3.549 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.212 -2.630 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.798 -1.869 4.538 1.00 0.00 H new ATOM 1529 N VAL A 96 1.249 -0.055 5.990 1.00 0.00 N ATOM 1530 CA VAL A 96 0.035 0.749 5.882 1.00 0.00 C ATOM 1531 C VAL A 96 0.259 2.178 6.374 1.00 0.00 C ATOM 1532 O VAL A 96 -0.132 3.143 5.713 1.00 0.00 O ATOM 1533 CB VAL A 96 -1.127 0.112 6.674 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -2.401 0.929 6.534 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -1.359 -1.313 6.206 1.00 0.00 C ATOM 0 H VAL A 96 1.260 -0.695 6.784 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.227 0.782 4.825 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.852 0.099 7.729 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.201 0.455 7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.231 1.936 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.685 0.983 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.181 -1.752 6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.609 -1.311 5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.454 -1.900 6.365 1.00 0.00 H new ATOM 1545 N ASP A 97 0.899 2.320 7.523 1.00 0.00 N ATOM 1546 CA ASP A 97 1.066 3.633 8.135 1.00 0.00 C ATOM 1547 C ASP A 97 2.028 4.499 7.324 1.00 0.00 C ATOM 1548 O ASP A 97 1.811 5.700 7.163 1.00 0.00 O ATOM 1549 CB ASP A 97 1.560 3.489 9.575 1.00 0.00 C ATOM 1550 CG ASP A 97 1.544 4.805 10.330 1.00 0.00 C ATOM 1551 OD1 ASP A 97 0.450 5.387 10.498 1.00 0.00 O ATOM 1552 OD2 ASP A 97 2.622 5.262 10.765 1.00 0.00 O ATOM 0 H ASP A 97 1.310 1.549 8.050 1.00 0.00 H new ATOM 0 HA ASP A 97 0.095 4.128 8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.935 2.766 10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.574 3.090 9.569 1.00 0.00 H new ATOM 1557 N ALA A 98 3.075 3.879 6.789 1.00 0.00 N ATOM 1558 CA ALA A 98 4.087 4.606 6.030 1.00 0.00 C ATOM 1559 C ALA A 98 3.553 5.088 4.683 1.00 0.00 C ATOM 1560 O ALA A 98 3.931 6.163 4.211 1.00 0.00 O ATOM 1561 CB ALA A 98 5.321 3.741 5.826 1.00 0.00 C ATOM 0 H ALA A 98 3.245 2.876 6.867 1.00 0.00 H new ATOM 0 HA ALA A 98 4.359 5.487 6.612 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.066 4.298 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.736 3.464 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.047 2.839 5.278 1.00 0.00 H new ATOM 1567 N SER A 99 2.679 4.300 4.067 1.00 0.00 N ATOM 1568 CA SER A 99 2.132 4.648 2.762 1.00 0.00 C ATOM 1569 C SER A 99 1.124 5.793 2.881 1.00 0.00 C ATOM 1570 O SER A 99 1.079 6.681 2.027 1.00 0.00 O ATOM 1571 CB SER A 99 1.495 3.419 2.109 1.00 0.00 C ATOM 1572 OG SER A 99 0.654 2.735 3.020 1.00 0.00 O ATOM 0 H SER A 99 2.335 3.419 4.449 1.00 0.00 H new ATOM 0 HA SER A 99 2.947 4.990 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.918 3.725 1.236 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.276 2.746 1.755 1.00 0.00 H new ATOM 0 HG SER A 99 1.182 2.084 3.527 1.00 0.00 H new ATOM 1578 N TYR A 100 0.329 5.774 3.946 1.00 0.00 N ATOM 1579 CA TYR A 100 -0.602 6.861 4.225 1.00 0.00 C ATOM 1580 C TYR A 100 0.167 8.140 4.552 1.00 0.00 C ATOM 1581 O TYR A 100 -0.144 9.216 4.038 1.00 0.00 O ATOM 1582 CB TYR A 100 -1.533 6.485 5.387 1.00 0.00 C ATOM 1583 CG TYR A 100 -2.455 7.603 5.825 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -3.571 7.948 5.073 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -2.202 8.318 6.990 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -4.407 8.974 5.469 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -3.036 9.341 7.393 1.00 0.00 C ATOM 1588 CZ TYR A 100 -4.136 9.668 6.630 1.00 0.00 C ATOM 1589 OH TYR A 100 -4.960 10.697 7.026 1.00 0.00 O ATOM 0 H TYR A 100 0.311 5.018 4.630 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.211 7.035 3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -2.135 5.626 5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.927 6.173 6.238 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.788 7.406 4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.339 8.069 7.589 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -5.269 9.232 4.872 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.827 9.883 8.303 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.886 10.486 6.785 1.00 0.00 H new ATOM 1599 N GLN A 101 1.187 7.999 5.394 1.00 0.00 N ATOM 1600 CA GLN A 101 1.988 9.132 5.848 1.00 0.00 C ATOM 1601 C GLN A 101 2.605 9.874 4.660 1.00 0.00 C ATOM 1602 O GLN A 101 2.408 11.080 4.503 1.00 0.00 O ATOM 1603 CB GLN A 101 3.092 8.633 6.790 1.00 0.00 C ATOM 1604 CG GLN A 101 3.530 9.630 7.861 1.00 0.00 C ATOM 1605 CD GLN A 101 4.090 10.925 7.299 1.00 0.00 C ATOM 1606 OE1 GLN A 101 5.284 11.025 7.005 1.00 0.00 O ATOM 1607 NE2 GLN A 101 3.245 11.936 7.184 1.00 0.00 N ATOM 0 H GLN A 101 1.481 7.101 5.779 1.00 0.00 H new ATOM 0 HA GLN A 101 1.341 9.827 6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.745 7.724 7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 101 3.962 8.360 6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.678 9.861 8.500 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.285 9.162 8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.265 11.813 7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.574 12.839 6.842 1.00 0.00 H new ATOM 1616 N GLN A 102 3.329 9.144 3.812 1.00 0.00 N ATOM 1617 CA GLN A 102 4.045 9.753 2.690 1.00 0.00 C ATOM 1618 C GLN A 102 3.092 10.469 1.733 1.00 0.00 C ATOM 1619 O GLN A 102 3.429 11.519 1.189 1.00 0.00 O ATOM 1620 CB GLN A 102 4.873 8.701 1.939 1.00 0.00 C ATOM 1621 CG GLN A 102 4.048 7.565 1.353 1.00 0.00 C ATOM 1622 CD GLN A 102 4.907 6.478 0.738 1.00 0.00 C ATOM 1623 OE1 GLN A 102 5.225 6.512 -0.450 1.00 0.00 O ATOM 1624 NE2 GLN A 102 5.289 5.502 1.548 1.00 0.00 N ATOM 0 H GLN A 102 3.436 8.132 3.880 1.00 0.00 H new ATOM 0 HA GLN A 102 4.722 10.501 3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.420 9.192 1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.615 8.284 2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.425 7.132 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.375 7.964 0.594 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.004 5.511 2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.868 4.742 1.192 1.00 0.00 H new ATOM 1633 N ALA A 103 1.897 9.915 1.554 1.00 0.00 N ATOM 1634 CA ALA A 103 0.908 10.507 0.662 1.00 0.00 C ATOM 1635 C ALA A 103 0.469 11.879 1.163 1.00 0.00 C ATOM 1636 O ALA A 103 0.329 12.820 0.383 1.00 0.00 O ATOM 1637 CB ALA A 103 -0.291 9.583 0.514 1.00 0.00 C ATOM 0 H ALA A 103 1.591 9.058 2.015 1.00 0.00 H new ATOM 0 HA ALA A 103 1.369 10.639 -0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.021 10.039 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.034 8.628 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.747 9.419 1.491 1.00 0.00 H new ATOM 1643 N VAL A 104 0.280 11.991 2.473 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.153 13.243 3.085 1.00 0.00 C ATOM 1645 C VAL A 104 0.906 14.334 2.908 1.00 0.00 C ATOM 1646 O VAL A 104 0.587 15.519 2.814 1.00 0.00 O ATOM 1647 CB VAL A 104 -0.461 13.060 4.591 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -0.932 14.365 5.217 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -1.502 11.971 4.798 1.00 0.00 C ATOM 0 H VAL A 104 0.420 11.227 3.134 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.068 13.548 2.578 1.00 0.00 H new ATOM 0 HB VAL A 104 0.463 12.759 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.141 14.206 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.154 15.121 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.838 14.703 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.704 11.858 5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.422 12.244 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.127 11.029 4.398 1.00 0.00 H new ATOM 1659 N ASN A 105 2.166 13.924 2.855 1.00 0.00 N ATOM 1660 CA ASN A 105 3.274 14.868 2.706 1.00 0.00 C ATOM 1661 C ASN A 105 3.355 15.392 1.275 1.00 0.00 C ATOM 1662 O ASN A 105 3.895 16.471 1.028 1.00 0.00 O ATOM 1663 CB ASN A 105 4.603 14.207 3.074 1.00 0.00 C ATOM 1664 CG ASN A 105 4.642 13.689 4.500 1.00 0.00 C ATOM 1665 OD1 ASN A 105 3.986 14.228 5.397 1.00 0.00 O ATOM 1666 ND2 ASN A 105 5.419 12.641 4.720 1.00 0.00 N ATOM 0 H ASN A 105 2.450 12.946 2.913 1.00 0.00 H new ATOM 0 HA ASN A 105 3.087 15.702 3.382 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.791 13.380 2.389 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.410 14.927 2.934 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.492 12.249 5.659 1.00 0.00 H new ATOM 0 HD22 ASN A 105 5.944 12.225 3.951 1.00 0.00 H new ATOM 1673 N LEU A 106 2.816 14.621 0.340 1.00 0.00 N ATOM 1674 CA LEU A 106 2.905 14.953 -1.076 1.00 0.00 C ATOM 1675 C LEU A 106 1.704 15.780 -1.534 1.00 0.00 C ATOM 1676 O LEU A 106 1.740 16.405 -2.591 1.00 0.00 O ATOM 1677 CB LEU A 106 2.994 13.671 -1.904 1.00 0.00 C ATOM 1678 CG LEU A 106 4.220 12.796 -1.625 1.00 0.00 C ATOM 1679 CD1 LEU A 106 4.168 11.529 -2.465 1.00 0.00 C ATOM 1680 CD2 LEU A 106 5.500 13.569 -1.903 1.00 0.00 C ATOM 0 H LEU A 106 2.310 13.758 0.538 1.00 0.00 H new ATOM 0 HA LEU A 106 3.804 15.552 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.097 13.079 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.992 13.939 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 106 4.212 12.513 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.046 10.917 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.267 10.967 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.154 11.794 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.361 12.932 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.518 13.880 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.540 14.449 -1.261 1.00 0.00 H new ATOM 1692 N LEU A 107 0.647 15.783 -0.734 1.00 0.00 N ATOM 1693 CA LEU A 107 -0.579 16.482 -1.098 1.00 0.00 C ATOM 1694 C LEU A 107 -0.542 17.939 -0.645 1.00 0.00 C ATOM 1695 O LEU A 107 0.018 18.257 0.406 1.00 0.00 O ATOM 1696 CB LEU A 107 -1.792 15.773 -0.497 1.00 0.00 C ATOM 1697 CG LEU A 107 -2.049 14.367 -1.037 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -3.248 13.745 -0.347 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -2.263 14.405 -2.542 1.00 0.00 C ATOM 0 H LEU A 107 0.613 15.311 0.169 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.662 16.469 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.661 15.713 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.677 16.383 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.173 13.753 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.417 12.744 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.060 13.684 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.130 14.360 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.445 13.395 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.123 15.035 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.375 14.813 -3.026 1.00 0.00 H new ATOM 1711 N PRO A 108 -1.130 18.844 -1.446 1.00 0.00 N ATOM 1712 CA PRO A 108 -1.191 20.272 -1.123 1.00 0.00 C ATOM 1713 C PRO A 108 -2.103 20.559 0.069 1.00 0.00 C ATOM 1714 O PRO A 108 -2.875 19.697 0.493 1.00 0.00 O ATOM 1715 CB PRO A 108 -1.763 20.903 -2.396 1.00 0.00 C ATOM 1716 CG PRO A 108 -2.525 19.805 -3.051 1.00 0.00 C ATOM 1717 CD PRO A 108 -1.777 18.542 -2.736 1.00 0.00 C ATOM 0 HA PRO A 108 -0.215 20.666 -0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -2.409 21.749 -2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.970 21.276 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -3.546 19.759 -2.673 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.590 19.963 -4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -2.447 17.686 -2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -1.045 18.305 -3.508 1.00 0.00 H new ATOM 1725 N GLU A 109 -2.023 21.787 0.578 1.00 0.00 N ATOM 1726 CA GLU A 109 -2.775 22.196 1.763 1.00 0.00 C ATOM 1727 C GLU A 109 -4.266 21.926 1.599 1.00 0.00 C ATOM 1728 O GLU A 109 -4.913 21.420 2.510 1.00 0.00 O ATOM 1729 CB GLU A 109 -2.559 23.683 2.029 1.00 0.00 C ATOM 1730 CG GLU A 109 -2.980 24.117 3.424 1.00 0.00 C ATOM 1731 CD GLU A 109 -2.165 23.442 4.506 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -2.503 22.308 4.895 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -1.160 24.033 4.955 1.00 0.00 O ATOM 0 H GLU A 109 -1.438 22.523 0.183 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.410 21.610 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.505 23.920 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.118 24.261 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.874 25.198 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.035 23.887 3.571 1.00 0.00 H new ATOM 1740 N GLU A 110 -4.789 22.269 0.427 1.00 0.00 N ATOM 1741 CA GLU A 110 -6.201 22.092 0.107 1.00 0.00 C ATOM 1742 C GLU A 110 -6.679 20.683 0.462 1.00 0.00 C ATOM 1743 O GLU A 110 -7.679 20.511 1.160 1.00 0.00 O ATOM 1744 CB GLU A 110 -6.399 22.387 -1.383 1.00 0.00 C ATOM 1745 CG GLU A 110 -7.838 22.342 -1.865 1.00 0.00 C ATOM 1746 CD GLU A 110 -8.252 20.972 -2.362 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -7.450 20.331 -3.077 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -9.374 20.528 -2.042 1.00 0.00 O ATOM 0 H GLU A 110 -4.243 22.679 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.800 22.783 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.991 23.374 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -5.817 21.668 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -8.498 22.642 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.970 23.069 -2.667 1.00 0.00 H new ATOM 1755 N LYS A 111 -5.944 19.682 0.006 1.00 0.00 N ATOM 1756 CA LYS A 111 -6.298 18.298 0.274 1.00 0.00 C ATOM 1757 C LYS A 111 -5.952 17.925 1.704 1.00 0.00 C ATOM 1758 O LYS A 111 -6.723 17.253 2.388 1.00 0.00 O ATOM 1759 CB LYS A 111 -5.566 17.375 -0.694 1.00 0.00 C ATOM 1760 CG LYS A 111 -6.403 16.203 -1.200 1.00 0.00 C ATOM 1761 CD LYS A 111 -7.412 16.616 -2.274 1.00 0.00 C ATOM 1762 CE LYS A 111 -8.549 17.467 -1.722 1.00 0.00 C ATOM 1763 NZ LYS A 111 -9.604 17.724 -2.734 1.00 0.00 N ATOM 0 H LYS A 111 -5.098 19.802 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.373 18.184 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.227 17.960 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.675 16.984 -0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.741 15.438 -1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.935 15.753 -0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -6.895 17.172 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -7.827 15.722 -2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.990 16.965 -0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.150 18.417 -1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.983 18.684 -2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.199 17.637 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.371 17.031 -2.620 1.00 0.00 H new ATOM 1777 N ARG A 112 -4.789 18.379 2.143 1.00 0.00 N ATOM 1778 CA ARG A 112 -4.283 18.087 3.473 1.00 0.00 C ATOM 1779 C ARG A 112 -5.268 18.522 4.563 1.00 0.00 C ATOM 1780 O ARG A 112 -5.455 17.815 5.553 1.00 0.00 O ATOM 1781 CB ARG A 112 -2.925 18.769 3.653 1.00 0.00 C ATOM 1782 CG ARG A 112 -2.299 18.528 5.006 1.00 0.00 C ATOM 1783 CD ARG A 112 -0.831 18.920 5.026 1.00 0.00 C ATOM 1784 NE ARG A 112 -0.618 20.350 4.790 1.00 0.00 N ATOM 1785 CZ ARG A 112 0.537 20.868 4.364 1.00 0.00 C ATOM 1786 NH1 ARG A 112 1.563 20.075 4.073 1.00 0.00 N ATOM 1787 NH2 ARG A 112 0.672 22.180 4.231 1.00 0.00 N ATOM 0 H ARG A 112 -4.167 18.963 1.584 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.163 17.008 3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.245 18.414 2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.045 19.842 3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.838 19.098 5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.398 17.475 5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.401 18.648 5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.297 18.348 4.267 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.396 20.987 4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.471 19.064 4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.442 20.477 3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.108 22.798 4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.556 22.571 3.905 1.00 0.00 H new ATOM 1801 N LYS A 113 -5.907 19.673 4.371 1.00 0.00 N ATOM 1802 CA LYS A 113 -6.916 20.149 5.302 1.00 0.00 C ATOM 1803 C LYS A 113 -8.101 19.190 5.337 1.00 0.00 C ATOM 1804 O LYS A 113 -8.554 18.781 6.407 1.00 0.00 O ATOM 1805 CB LYS A 113 -7.401 21.541 4.892 1.00 0.00 C ATOM 1806 CG LYS A 113 -6.331 22.631 4.894 1.00 0.00 C ATOM 1807 CD LYS A 113 -5.860 22.999 6.300 1.00 0.00 C ATOM 1808 CE LYS A 113 -4.837 22.012 6.846 1.00 0.00 C ATOM 1809 NZ LYS A 113 -4.183 22.521 8.080 1.00 0.00 N ATOM 0 H LYS A 113 -5.741 20.291 3.577 1.00 0.00 H new ATOM 0 HA LYS A 113 -6.468 20.201 6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.831 21.478 3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.204 21.841 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.477 22.295 4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.725 23.521 4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.425 23.998 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -6.719 23.036 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.327 21.062 7.060 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.079 21.817 6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.493 21.821 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.694 23.415 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.903 22.683 8.813 1.00 0.00 H new ATOM 1823 N LEU A 114 -8.578 18.818 4.155 1.00 0.00 N ATOM 1824 CA LEU A 114 -9.746 17.979 4.016 1.00 0.00 C ATOM 1825 C LEU A 114 -9.524 16.592 4.607 1.00 0.00 C ATOM 1826 O LEU A 114 -10.427 16.029 5.217 1.00 0.00 O ATOM 1827 CB LEU A 114 -10.117 17.879 2.544 1.00 0.00 C ATOM 1828 CG LEU A 114 -10.740 19.141 1.941 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -11.126 18.906 0.489 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -11.954 19.578 2.749 1.00 0.00 C ATOM 0 H LEU A 114 -8.159 19.095 3.267 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.565 18.434 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.221 17.629 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.816 17.052 2.417 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.997 19.938 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.567 19.814 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.238 18.642 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.850 18.093 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.383 20.476 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.698 18.782 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.652 19.789 3.775 1.00 0.00 H new ATOM 1842 N LEU A 115 -8.325 16.054 4.432 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.987 14.739 4.973 1.00 0.00 C ATOM 1844 C LEU A 115 -8.192 14.699 6.484 1.00 0.00 C ATOM 1845 O LEU A 115 -8.635 13.694 7.038 1.00 0.00 O ATOM 1846 CB LEU A 115 -6.538 14.374 4.643 1.00 0.00 C ATOM 1847 CG LEU A 115 -6.192 14.334 3.153 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -4.749 13.899 2.958 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -7.137 13.405 2.408 1.00 0.00 C ATOM 0 H LEU A 115 -7.568 16.506 3.920 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.653 14.011 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.880 15.093 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.320 13.397 5.075 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.309 15.337 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.517 13.875 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.086 14.604 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.608 12.905 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.874 13.391 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.054 12.398 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.161 13.760 2.523 1.00 0.00 H new ATOM 1861 N VAL A 116 -7.867 15.800 7.144 1.00 0.00 N ATOM 1862 CA VAL A 116 -8.038 15.908 8.585 1.00 0.00 C ATOM 1863 C VAL A 116 -9.514 16.125 8.934 1.00 0.00 C ATOM 1864 O VAL A 116 -9.979 15.740 10.009 1.00 0.00 O ATOM 1865 CB VAL A 116 -7.188 17.065 9.163 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -7.243 17.083 10.684 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -5.749 16.964 8.686 1.00 0.00 C ATOM 0 H VAL A 116 -7.482 16.635 6.702 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.698 14.973 9.031 1.00 0.00 H new ATOM 0 HB VAL A 116 -7.610 18.002 8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -6.636 17.907 11.060 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.275 17.214 11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -6.857 16.141 11.073 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -5.169 17.787 9.104 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.323 16.016 9.014 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.722 17.017 7.598 1.00 0.00 H new ATOM 1877 N GLN A 117 -10.246 16.741 8.011 1.00 0.00 N ATOM 1878 CA GLN A 117 -11.654 17.030 8.209 1.00 0.00 C ATOM 1879 C GLN A 117 -12.512 15.777 8.066 1.00 0.00 C ATOM 1880 O GLN A 117 -13.582 15.677 8.669 1.00 0.00 O ATOM 1881 CB GLN A 117 -12.116 18.072 7.193 1.00 0.00 C ATOM 1882 CG GLN A 117 -11.415 19.417 7.305 1.00 0.00 C ATOM 1883 CD GLN A 117 -11.549 20.047 8.674 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -12.510 20.768 8.947 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -10.579 19.796 9.537 1.00 0.00 N ATOM 0 H GLN A 117 -9.879 17.051 7.111 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.773 17.413 9.223 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -11.958 17.677 6.189 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.189 18.225 7.311 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.358 19.289 7.073 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -11.825 20.096 6.558 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.801 19.193 9.269 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.608 20.206 10.471 1.00 0.00 H new ATOM 1894 N LEU A 118 -12.052 14.832 7.257 1.00 0.00 N ATOM 1895 CA LEU A 118 -12.823 13.630 6.965 1.00 0.00 C ATOM 1896 C LEU A 118 -12.566 12.545 8.007 1.00 0.00 C ATOM 1897 O LEU A 118 -12.055 11.469 7.634 1.00 0.00 O ATOM 1898 CB LEU A 118 -12.473 13.104 5.569 1.00 0.00 C ATOM 1899 CG LEU A 118 -12.753 14.068 4.415 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -12.310 13.459 3.092 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -14.229 14.433 4.369 1.00 0.00 C ATOM 0 H LEU A 118 -11.146 14.875 6.790 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.881 13.892 6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.415 12.842 5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -13.032 12.184 5.395 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.180 14.980 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.517 14.159 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.241 13.251 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.855 12.531 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.408 15.119 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.823 13.530 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.515 14.911 5.306 1.00 0.00 H new TER 1913 LEU A 118