USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1024 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 88 THR OG1 : rot 150:sc= -0.529 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.248 K(o=-0.78,f=-1.9) USER MOD Set 2.1: A 47 MET CE :methyl 143:sc= -3 (180deg=-3.18) USER MOD Set 2.2: A 52 HIS : no HE2:sc= -16.3! C(o=-20!,f=-34!) USER MOD Set 2.3: A 79 THR OG1 : rot 97:sc= -0.285 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0797 (180deg=-0.627) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.158 (180deg=-0.991) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.364 K(o=-0.36,f=-3!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -149:sc= 0.63 USER MOD Single : A 27 GLN : amide:sc= 0.102 X(o=0.1,f=-0.054) USER MOD Single : A 28 GLN :FLIP amide:sc= 1.18 F(o=-0.083,f=1.2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.24 K(o=-1.2,f=-4.9!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.338 K(o=-0.34,f=-3!) USER MOD Single : A 44 MET CE :methyl -119:sc= -2.27! (180deg=-3.98!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.64) USER MOD Single : A 50 ASN : amide:sc= -4.5! C(o=-4.5!,f=-8.4!) USER MOD Single : A 53 HIS : no HD1:sc= -3.82! C(o=-3.8!,f=-6.1!) USER MOD Single : A 57 SER OG : rot -97:sc= -0.364 USER MOD Single : A 60 ASN : amide:sc= -1.74! C(o=-1.7!,f=-1.8!) USER MOD Single : A 61 MET CE :methyl -164:sc= 0 (180deg=-0.102) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -149:sc= -0.143 (180deg=-0.828) USER MOD Single : A 71 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.92) USER MOD Single : A 76 ASN : amide:sc= -0.208 K(o=-0.21,f=-2.9!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -105:sc= 0.315 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0701 X(o=-0.07,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -2.8! C(o=-2.8!,f=-3.8!) USER MOD Single : A 106 ASN : amide:sc= -1.05 K(o=-1,f=-5.1!) USER MOD Single : A 110 LYS NZ :NH3+ 142:sc= -1.47 (180deg=-3.3!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.00697 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -142:sc= -0.18 (180deg=-1.96!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.423 17.321 8.911 1.00 0.00 N ATOM 2 CA MET A 1 14.190 16.310 7.894 1.00 0.00 C ATOM 3 C MET A 1 13.564 16.927 6.641 1.00 0.00 C ATOM 4 O MET A 1 14.186 17.751 5.973 1.00 0.00 O ATOM 5 CB MET A 1 13.259 15.230 8.450 1.00 0.00 C ATOM 6 CG MET A 1 13.811 14.651 9.754 1.00 0.00 C ATOM 7 SD MET A 1 12.656 13.473 10.436 1.00 0.00 S ATOM 8 CE MET A 1 12.805 12.161 9.236 1.00 0.00 C ATOM 0 H1 MET A 1 15.180 17.003 9.550 1.00 0.00 H new ATOM 0 H2 MET A 1 14.706 18.212 8.456 1.00 0.00 H new ATOM 0 H3 MET A 1 13.551 17.472 9.456 1.00 0.00 H new ATOM 0 HA MET A 1 15.149 15.870 7.620 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.270 15.652 8.625 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.140 14.433 7.715 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.770 14.167 9.569 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.991 15.453 10.470 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.445 11.228 9.670 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.211 12.404 8.355 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.850 12.048 8.948 1.00 0.00 H new ATOM 18 N SER A 2 12.341 16.503 6.360 1.00 0.00 N ATOM 19 CA SER A 2 11.624 17.003 5.199 1.00 0.00 C ATOM 20 C SER A 2 10.128 17.097 5.508 1.00 0.00 C ATOM 21 O SER A 2 9.443 17.989 5.011 1.00 0.00 O ATOM 22 CB SER A 2 11.859 16.111 3.979 1.00 0.00 C ATOM 23 OG SER A 2 12.405 16.838 2.881 1.00 0.00 O ATOM 0 H SER A 2 11.828 15.819 6.916 1.00 0.00 H new ATOM 0 HA SER A 2 12.004 17.998 4.966 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.535 15.300 4.248 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.917 15.654 3.678 1.00 0.00 H new ATOM 0 HG SER A 2 12.542 16.232 2.123 1.00 0.00 H new ATOM 29 N LEU A 3 9.666 16.163 6.326 1.00 0.00 N ATOM 30 CA LEU A 3 8.264 16.129 6.707 1.00 0.00 C ATOM 31 C LEU A 3 8.144 15.637 8.151 1.00 0.00 C ATOM 32 O LEU A 3 8.520 14.507 8.459 1.00 0.00 O ATOM 33 CB LEU A 3 7.457 15.302 5.706 1.00 0.00 C ATOM 34 CG LEU A 3 6.131 15.910 5.246 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.444 16.656 6.393 1.00 0.00 C ATOM 36 CD2 LEU A 3 6.332 16.803 4.021 1.00 0.00 C ATOM 0 H LEU A 3 10.237 15.424 6.736 1.00 0.00 H new ATOM 0 HA LEU A 3 7.836 17.131 6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.077 15.126 4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.252 14.328 6.151 1.00 0.00 H new ATOM 0 HG LEU A 3 5.469 15.098 4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.503 17.079 6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.246 15.963 7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.093 17.458 6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.373 17.222 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.019 17.612 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.747 16.212 3.204 1.00 0.00 H new ATOM 48 N ALA A 4 7.619 16.509 8.998 1.00 0.00 N ATOM 49 CA ALA A 4 7.445 16.177 10.402 1.00 0.00 C ATOM 50 C ALA A 4 6.627 14.890 10.520 1.00 0.00 C ATOM 51 O ALA A 4 6.913 14.044 11.366 1.00 0.00 O ATOM 52 CB ALA A 4 6.788 17.354 11.127 1.00 0.00 C ATOM 0 H ALA A 4 7.308 17.445 8.739 1.00 0.00 H new ATOM 0 HA ALA A 4 8.410 15.999 10.877 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.657 17.105 12.180 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.422 18.236 11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.816 17.560 10.679 1.00 0.00 H new ATOM 58 N GLU A 5 5.626 14.783 9.659 1.00 0.00 N ATOM 59 CA GLU A 5 4.764 13.613 9.656 1.00 0.00 C ATOM 60 C GLU A 5 5.321 12.547 8.710 1.00 0.00 C ATOM 61 O GLU A 5 5.373 11.369 9.059 1.00 0.00 O ATOM 62 CB GLU A 5 3.330 13.988 9.277 1.00 0.00 C ATOM 63 CG GLU A 5 2.483 14.246 10.524 1.00 0.00 C ATOM 64 CD GLU A 5 1.044 14.603 10.145 1.00 0.00 C ATOM 65 OE1 GLU A 5 0.597 14.109 9.088 1.00 0.00 O ATOM 66 OE2 GLU A 5 0.424 15.362 10.922 1.00 0.00 O ATOM 0 H GLU A 5 5.392 15.487 8.959 1.00 0.00 H new ATOM 0 HA GLU A 5 4.741 13.200 10.665 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.337 14.878 8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.884 13.186 8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.486 13.361 11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.922 15.057 11.105 1.00 0.00 H new ATOM 73 N LYS A 6 5.721 12.999 7.530 1.00 0.00 N ATOM 74 CA LYS A 6 6.271 12.099 6.530 1.00 0.00 C ATOM 75 C LYS A 6 5.486 10.786 6.547 1.00 0.00 C ATOM 76 O LYS A 6 6.021 9.734 6.198 1.00 0.00 O ATOM 77 CB LYS A 6 7.776 11.918 6.742 1.00 0.00 C ATOM 78 CG LYS A 6 8.056 10.954 7.897 1.00 0.00 C ATOM 79 CD LYS A 6 9.560 10.796 8.125 1.00 0.00 C ATOM 80 CE LYS A 6 10.067 9.475 7.546 1.00 0.00 C ATOM 81 NZ LYS A 6 10.346 8.506 8.630 1.00 0.00 N ATOM 0 H LYS A 6 5.675 13.977 7.244 1.00 0.00 H new ATOM 0 HA LYS A 6 6.162 12.524 5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.232 11.538 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.236 12.884 6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.583 11.324 8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.613 9.982 7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.091 11.628 7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.776 10.836 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.325 9.062 6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.972 9.650 6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.689 7.615 8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.071 8.896 9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.474 8.326 9.168 1.00 0.00 H new ATOM 95 N ILE A 7 4.229 10.888 6.954 1.00 0.00 N ATOM 96 CA ILE A 7 3.366 9.722 7.020 1.00 0.00 C ATOM 97 C ILE A 7 2.142 9.949 6.130 1.00 0.00 C ATOM 98 O ILE A 7 1.134 10.491 6.582 1.00 0.00 O ATOM 99 CB ILE A 7 3.019 9.394 8.473 1.00 0.00 C ATOM 100 CG1 ILE A 7 2.096 8.177 8.556 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.424 10.613 9.184 1.00 0.00 C ATOM 102 CD1 ILE A 7 2.888 6.877 8.400 1.00 0.00 C ATOM 0 H ILE A 7 3.788 11.762 7.242 1.00 0.00 H new ATOM 0 HA ILE A 7 3.882 8.843 6.635 1.00 0.00 H new ATOM 0 HB ILE A 7 3.941 9.135 8.993 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.574 8.176 9.513 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.335 8.239 7.778 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.186 10.352 10.215 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.146 11.429 9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.515 10.926 8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.208 6.027 8.463 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.389 6.870 7.432 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.632 6.806 9.194 1.00 0.00 H new ATOM 114 N LYS A 8 2.270 9.521 4.883 1.00 0.00 N ATOM 115 CA LYS A 8 1.186 9.670 3.927 1.00 0.00 C ATOM 116 C LYS A 8 0.809 8.295 3.372 1.00 0.00 C ATOM 117 O LYS A 8 1.678 7.460 3.129 1.00 0.00 O ATOM 118 CB LYS A 8 1.562 10.688 2.846 1.00 0.00 C ATOM 119 CG LYS A 8 0.612 11.887 2.869 1.00 0.00 C ATOM 120 CD LYS A 8 1.326 13.159 2.408 1.00 0.00 C ATOM 121 CE LYS A 8 0.510 13.888 1.339 1.00 0.00 C ATOM 122 NZ LYS A 8 0.635 15.354 1.501 1.00 0.00 N ATOM 0 H LYS A 8 3.107 9.071 4.513 1.00 0.00 H new ATOM 0 HA LYS A 8 0.298 10.071 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.586 11.028 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.529 10.212 1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.243 11.691 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.223 12.029 3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.488 13.819 3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.309 12.905 2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.855 13.595 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.538 13.596 1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.075 15.833 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.284 15.631 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.634 15.629 1.409 1.00 0.00 H new ATOM 136 N VAL A 9 -0.490 8.103 3.187 1.00 0.00 N ATOM 137 CA VAL A 9 -0.993 6.844 2.667 1.00 0.00 C ATOM 138 C VAL A 9 -1.331 7.009 1.183 1.00 0.00 C ATOM 139 O VAL A 9 -2.065 7.921 0.808 1.00 0.00 O ATOM 140 CB VAL A 9 -2.185 6.371 3.501 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.551 4.924 3.164 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.905 6.531 4.997 1.00 0.00 C ATOM 0 H VAL A 9 -1.208 8.799 3.388 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.231 6.068 2.744 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.039 7.000 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.401 4.613 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.813 4.851 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.700 4.275 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.768 6.188 5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.031 5.939 5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.716 7.581 5.222 1.00 0.00 H new ATOM 152 N LEU A 10 -0.777 6.113 0.379 1.00 0.00 N ATOM 153 CA LEU A 10 -1.010 6.147 -1.054 1.00 0.00 C ATOM 154 C LEU A 10 -1.885 4.958 -1.453 1.00 0.00 C ATOM 155 O LEU A 10 -1.484 3.806 -1.292 1.00 0.00 O ATOM 156 CB LEU A 10 0.319 6.215 -1.811 1.00 0.00 C ATOM 157 CG LEU A 10 0.315 5.630 -3.224 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.914 4.221 -3.236 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.091 5.659 -3.827 1.00 0.00 C ATOM 0 H LEU A 10 -0.167 5.359 0.694 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.555 7.050 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.627 7.259 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.076 5.693 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 10 0.948 6.255 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.899 3.828 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.942 4.260 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.327 3.571 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.065 5.237 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.766 5.072 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.445 6.689 -3.875 1.00 0.00 H new ATOM 171 N ILE A 11 -3.064 5.277 -1.966 1.00 0.00 N ATOM 172 CA ILE A 11 -3.999 4.250 -2.389 1.00 0.00 C ATOM 173 C ILE A 11 -4.606 4.642 -3.739 1.00 0.00 C ATOM 174 O ILE A 11 -5.379 5.595 -3.821 1.00 0.00 O ATOM 175 CB ILE A 11 -5.041 3.990 -1.299 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.084 5.109 -1.260 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.371 3.784 0.061 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.109 4.865 -0.151 1.00 0.00 C ATOM 0 H ILE A 11 -3.393 6.233 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.481 3.302 -2.535 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.567 3.067 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.589 6.067 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.592 5.171 -2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.133 3.601 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.698 2.928 0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.803 4.676 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.839 5.675 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.619 3.918 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.601 4.828 0.813 1.00 0.00 H new ATOM 190 N VAL A 12 -4.232 3.888 -4.762 1.00 0.00 N ATOM 191 CA VAL A 12 -4.730 4.145 -6.102 1.00 0.00 C ATOM 192 C VAL A 12 -5.193 2.830 -6.731 1.00 0.00 C ATOM 193 O VAL A 12 -4.468 1.836 -6.704 1.00 0.00 O ATOM 194 CB VAL A 12 -3.659 4.860 -6.930 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.406 3.994 -7.068 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.204 5.260 -8.303 1.00 0.00 C ATOM 0 H VAL A 12 -3.590 3.099 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.593 4.810 -6.068 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.380 5.772 -6.402 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.661 4.524 -7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.000 3.782 -6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.664 3.058 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.423 5.766 -8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.524 4.368 -8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.053 5.931 -8.176 1.00 0.00 H new ATOM 206 N ASP A 13 -6.396 2.866 -7.283 1.00 0.00 N ATOM 207 CA ASP A 13 -6.964 1.688 -7.918 1.00 0.00 C ATOM 208 C ASP A 13 -7.682 2.103 -9.203 1.00 0.00 C ATOM 209 O ASP A 13 -8.284 3.174 -9.265 1.00 0.00 O ATOM 210 CB ASP A 13 -7.987 1.009 -7.004 1.00 0.00 C ATOM 211 CG ASP A 13 -7.428 0.501 -5.673 1.00 0.00 C ATOM 212 OD1 ASP A 13 -6.864 1.340 -4.938 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.577 -0.714 -5.422 1.00 0.00 O ATOM 0 H ASP A 13 -6.994 3.692 -7.304 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.151 0.993 -8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.792 1.714 -6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.429 0.169 -7.540 1.00 0.00 H new ATOM 218 N ASP A 14 -7.593 1.234 -10.200 1.00 0.00 N ATOM 219 CA ASP A 14 -8.226 1.497 -11.481 1.00 0.00 C ATOM 220 C ASP A 14 -9.711 1.794 -11.260 1.00 0.00 C ATOM 221 O ASP A 14 -10.237 2.772 -11.790 1.00 0.00 O ATOM 222 CB ASP A 14 -8.120 0.284 -12.407 1.00 0.00 C ATOM 223 CG ASP A 14 -7.987 0.616 -13.895 1.00 0.00 C ATOM 224 OD1 ASP A 14 -6.951 1.215 -14.253 1.00 0.00 O ATOM 225 OD2 ASP A 14 -8.927 0.263 -14.641 1.00 0.00 O ATOM 0 H ASP A 14 -7.092 0.347 -10.146 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.719 2.346 -11.939 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.258 -0.311 -12.104 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.003 -0.340 -12.267 1.00 0.00 H new ATOM 230 N GLN A 15 -10.343 0.934 -10.476 1.00 0.00 N ATOM 231 CA GLN A 15 -11.757 1.091 -10.178 1.00 0.00 C ATOM 232 C GLN A 15 -11.942 1.946 -8.923 1.00 0.00 C ATOM 233 O GLN A 15 -11.177 1.826 -7.967 1.00 0.00 O ATOM 234 CB GLN A 15 -12.439 -0.269 -10.022 1.00 0.00 C ATOM 235 CG GLN A 15 -13.732 -0.331 -10.838 1.00 0.00 C ATOM 236 CD GLN A 15 -14.591 -1.526 -10.415 1.00 0.00 C ATOM 237 OE1 GLN A 15 -15.484 -1.420 -9.591 1.00 0.00 O ATOM 238 NE2 GLN A 15 -14.271 -2.663 -11.025 1.00 0.00 N ATOM 0 H GLN A 15 -9.902 0.125 -10.037 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.231 1.603 -11.016 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.762 -1.059 -10.347 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.660 -0.451 -8.970 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.296 0.592 -10.704 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.493 -0.407 -11.899 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.511 -2.680 -11.705 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.785 -3.518 -10.813 1.00 0.00 H new ATOM 247 N VAL A 16 -12.964 2.790 -8.965 1.00 0.00 N ATOM 248 CA VAL A 16 -13.259 3.664 -7.843 1.00 0.00 C ATOM 249 C VAL A 16 -13.758 2.824 -6.667 1.00 0.00 C ATOM 250 O VAL A 16 -13.391 3.076 -5.519 1.00 0.00 O ATOM 251 CB VAL A 16 -14.253 4.745 -8.270 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.080 5.232 -7.078 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.536 5.910 -8.954 1.00 0.00 C ATOM 0 H VAL A 16 -13.597 2.886 -9.759 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.358 4.182 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.938 4.303 -8.994 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.779 6.000 -7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.635 4.395 -6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.416 5.648 -6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.266 6.664 -9.248 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.817 6.350 -8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.014 5.547 -9.839 1.00 0.00 H new ATOM 263 N THR A 17 -14.587 1.843 -6.990 1.00 0.00 N ATOM 264 CA THR A 17 -15.140 0.964 -5.974 1.00 0.00 C ATOM 265 C THR A 17 -14.017 0.301 -5.173 1.00 0.00 C ATOM 266 O THR A 17 -14.157 0.073 -3.972 1.00 0.00 O ATOM 267 CB THR A 17 -16.065 -0.039 -6.667 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.364 0.302 -6.191 1.00 0.00 O ATOM 269 CG2 THR A 17 -15.850 -1.472 -6.174 1.00 0.00 C ATOM 0 H THR A 17 -14.890 1.637 -7.942 1.00 0.00 H new ATOM 0 HA THR A 17 -15.729 1.523 -5.247 1.00 0.00 H new ATOM 0 HB THR A 17 -15.903 0.001 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.027 -0.298 -6.592 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.531 -2.143 -6.698 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.821 -1.774 -6.370 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.045 -1.521 -5.103 1.00 0.00 H new ATOM 277 N SER A 18 -12.928 0.012 -5.869 1.00 0.00 N ATOM 278 CA SER A 18 -11.782 -0.620 -5.239 1.00 0.00 C ATOM 279 C SER A 18 -11.054 0.387 -4.348 1.00 0.00 C ATOM 280 O SER A 18 -10.893 0.160 -3.150 1.00 0.00 O ATOM 281 CB SER A 18 -10.824 -1.193 -6.285 1.00 0.00 C ATOM 282 OG SER A 18 -11.518 -1.722 -7.412 1.00 0.00 O ATOM 0 H SER A 18 -12.815 0.204 -6.864 1.00 0.00 H new ATOM 0 HA SER A 18 -12.142 -1.446 -4.625 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.139 -0.412 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.219 -1.978 -5.831 1.00 0.00 H new ATOM 0 HG SER A 18 -11.008 -2.469 -7.789 1.00 0.00 H new ATOM 288 N ARG A 19 -10.633 1.481 -4.967 1.00 0.00 N ATOM 289 CA ARG A 19 -9.926 2.525 -4.244 1.00 0.00 C ATOM 290 C ARG A 19 -10.822 3.118 -3.156 1.00 0.00 C ATOM 291 O ARG A 19 -10.333 3.579 -2.125 1.00 0.00 O ATOM 292 CB ARG A 19 -9.476 3.640 -5.189 1.00 0.00 C ATOM 293 CG ARG A 19 -10.670 4.244 -5.932 1.00 0.00 C ATOM 294 CD ARG A 19 -11.393 5.274 -5.062 1.00 0.00 C ATOM 295 NE ARG A 19 -11.510 6.558 -5.789 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.514 7.448 -5.905 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.323 7.198 -5.343 1.00 0.00 N ATOM 298 NH2 ARG A 19 -10.709 8.587 -6.583 1.00 0.00 N ATOM 0 H ARG A 19 -10.768 1.667 -5.961 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.045 2.074 -3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.965 4.418 -4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.758 3.245 -5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.329 4.716 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.363 3.453 -6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.384 4.906 -4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.847 5.423 -4.130 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.403 6.779 -6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.174 6.331 -4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.565 7.875 -5.431 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.615 8.777 -7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.951 9.264 -6.671 1.00 0.00 H new ATOM 312 N LEU A 20 -12.120 3.088 -3.421 1.00 0.00 N ATOM 313 CA LEU A 20 -13.090 3.617 -2.477 1.00 0.00 C ATOM 314 C LEU A 20 -13.204 2.666 -1.284 1.00 0.00 C ATOM 315 O LEU A 20 -13.225 3.105 -0.135 1.00 0.00 O ATOM 316 CB LEU A 20 -14.424 3.891 -3.175 1.00 0.00 C ATOM 317 CG LEU A 20 -15.607 4.208 -2.259 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.497 5.293 -2.869 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.397 2.941 -1.925 1.00 0.00 C ATOM 0 H LEU A 20 -12.523 2.705 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.757 4.579 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.287 4.727 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.681 3.021 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.216 4.601 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.331 5.500 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.914 6.203 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.881 4.951 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.232 3.195 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.777 2.496 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.745 2.228 -1.420 1.00 0.00 H new ATOM 331 N LEU A 21 -13.276 1.380 -1.597 1.00 0.00 N ATOM 332 CA LEU A 21 -13.388 0.364 -0.565 1.00 0.00 C ATOM 333 C LEU A 21 -12.151 0.418 0.335 1.00 0.00 C ATOM 334 O LEU A 21 -12.268 0.590 1.547 1.00 0.00 O ATOM 335 CB LEU A 21 -13.634 -1.010 -1.191 1.00 0.00 C ATOM 336 CG LEU A 21 -15.045 -1.262 -1.725 1.00 0.00 C ATOM 337 CD1 LEU A 21 -15.042 -2.364 -2.785 1.00 0.00 C ATOM 338 CD2 LEU A 21 -16.017 -1.568 -0.583 1.00 0.00 C ATOM 0 H LEU A 21 -13.259 1.019 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.253 0.559 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.928 -1.146 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.408 -1.772 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.394 -0.350 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.058 -2.523 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.402 -2.068 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.664 -3.288 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.013 -1.743 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.682 -2.457 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.049 -0.722 0.104 1.00 0.00 H new ATOM 350 N LEU A 22 -10.995 0.267 -0.294 1.00 0.00 N ATOM 351 CA LEU A 22 -9.738 0.296 0.434 1.00 0.00 C ATOM 352 C LEU A 22 -9.628 1.615 1.200 1.00 0.00 C ATOM 353 O LEU A 22 -9.339 1.621 2.396 1.00 0.00 O ATOM 354 CB LEU A 22 -8.565 0.034 -0.511 1.00 0.00 C ATOM 355 CG LEU A 22 -8.581 0.808 -1.831 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.642 2.015 -1.772 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.258 -0.112 -3.011 1.00 0.00 C ATOM 0 H LEU A 22 -10.902 0.124 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.707 -0.505 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.640 0.271 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.538 -1.032 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.589 1.192 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.673 2.547 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.959 2.684 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.624 1.675 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.276 0.463 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.268 -0.547 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.000 -0.909 -3.065 1.00 0.00 H new ATOM 369 N GLY A 23 -9.864 2.702 0.481 1.00 0.00 N ATOM 370 CA GLY A 23 -9.795 4.026 1.077 1.00 0.00 C ATOM 371 C GLY A 23 -10.841 4.183 2.184 1.00 0.00 C ATOM 372 O GLY A 23 -10.624 4.917 3.147 1.00 0.00 O ATOM 0 H GLY A 23 -10.104 2.693 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.799 4.193 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.956 4.783 0.310 1.00 0.00 H new ATOM 376 N ASP A 24 -11.951 3.481 2.008 1.00 0.00 N ATOM 377 CA ASP A 24 -13.031 3.534 2.980 1.00 0.00 C ATOM 378 C ASP A 24 -12.644 2.711 4.210 1.00 0.00 C ATOM 379 O ASP A 24 -12.783 3.177 5.341 1.00 0.00 O ATOM 380 CB ASP A 24 -14.319 2.945 2.403 1.00 0.00 C ATOM 381 CG ASP A 24 -15.543 3.047 3.317 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.358 2.843 4.537 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.634 3.326 2.776 1.00 0.00 O ATOM 0 H ASP A 24 -12.126 2.873 1.208 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.198 4.578 3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.543 3.450 1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.147 1.895 2.167 1.00 0.00 H new ATOM 388 N ALA A 25 -12.165 1.505 3.949 1.00 0.00 N ATOM 389 CA ALA A 25 -11.758 0.613 5.022 1.00 0.00 C ATOM 390 C ALA A 25 -10.693 1.303 5.876 1.00 0.00 C ATOM 391 O ALA A 25 -10.765 1.278 7.104 1.00 0.00 O ATOM 392 CB ALA A 25 -11.263 -0.707 4.428 1.00 0.00 C ATOM 0 H ALA A 25 -12.049 1.124 3.010 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.603 0.382 5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.958 -1.376 5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.065 -1.171 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.413 -0.515 3.773 1.00 0.00 H new ATOM 398 N LEU A 26 -9.731 1.904 5.193 1.00 0.00 N ATOM 399 CA LEU A 26 -8.652 2.601 5.873 1.00 0.00 C ATOM 400 C LEU A 26 -9.194 3.891 6.493 1.00 0.00 C ATOM 401 O LEU A 26 -8.646 4.392 7.473 1.00 0.00 O ATOM 402 CB LEU A 26 -7.473 2.822 4.924 1.00 0.00 C ATOM 403 CG LEU A 26 -6.345 1.792 5.004 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.849 0.397 4.630 1.00 0.00 C ATOM 405 CD2 LEU A 26 -5.151 2.219 4.147 1.00 0.00 C ATOM 0 H LEU A 26 -9.676 1.923 4.175 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.262 1.994 6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.853 2.837 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.053 3.808 5.122 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.999 1.743 6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.027 -0.316 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.642 0.101 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.237 0.411 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.363 1.470 4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.465 2.314 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.774 3.178 4.501 1.00 0.00 H new ATOM 417 N GLN A 27 -10.265 4.392 5.894 1.00 0.00 N ATOM 418 CA GLN A 27 -10.888 5.614 6.374 1.00 0.00 C ATOM 419 C GLN A 27 -11.352 5.440 7.822 1.00 0.00 C ATOM 420 O GLN A 27 -11.041 6.265 8.679 1.00 0.00 O ATOM 421 CB GLN A 27 -12.052 6.027 5.472 1.00 0.00 C ATOM 422 CG GLN A 27 -13.387 5.916 6.211 1.00 0.00 C ATOM 423 CD GLN A 27 -14.526 6.505 5.378 1.00 0.00 C ATOM 424 OE1 GLN A 27 -14.471 7.631 4.911 1.00 0.00 O ATOM 425 NE2 GLN A 27 -15.560 5.684 5.218 1.00 0.00 N ATOM 0 H GLN A 27 -10.717 3.974 5.081 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.147 6.412 6.344 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.906 7.052 5.131 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.070 5.395 4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.598 4.870 6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.323 6.438 7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.542 4.754 5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.371 5.985 4.677 1.00 0.00 H new ATOM 434 N GLN A 28 -12.087 4.362 8.048 1.00 0.00 N ATOM 435 CA GLN A 28 -12.596 4.069 9.377 1.00 0.00 C ATOM 436 C GLN A 28 -11.439 3.864 10.356 1.00 0.00 C ATOM 437 O GLN A 28 -11.643 3.840 11.569 1.00 0.00 O ATOM 438 CB GLN A 28 -13.518 2.849 9.355 1.00 0.00 C ATOM 439 CG GLN A 28 -14.822 3.133 10.102 1.00 0.00 C ATOM 440 CD GLN A 28 -14.839 2.433 11.463 1.00 0.00 C ATOM 441 OE1 GLN A 28 -15.887 1.637 11.650 1.00 0.00 O flip ATOM 442 NE2 GLN A 28 -13.956 2.605 12.289 1.00 0.00 N flip ATOM 0 H GLN A 28 -12.342 3.680 7.333 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.185 4.922 9.715 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.738 2.574 8.324 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.012 1.998 9.811 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.939 4.208 10.241 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.669 2.795 9.505 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.178 3.231 12.081 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.997 2.123 13.187 1.00 0.00 H new ATOM 451 N LEU A 29 -10.248 3.722 9.793 1.00 0.00 N ATOM 452 CA LEU A 29 -9.057 3.519 10.601 1.00 0.00 C ATOM 453 C LEU A 29 -8.341 4.857 10.790 1.00 0.00 C ATOM 454 O LEU A 29 -7.468 4.983 11.648 1.00 0.00 O ATOM 455 CB LEU A 29 -8.174 2.429 9.992 1.00 0.00 C ATOM 456 CG LEU A 29 -6.677 2.737 9.926 1.00 0.00 C ATOM 457 CD1 LEU A 29 -6.072 2.815 11.329 1.00 0.00 C ATOM 458 CD2 LEU A 29 -5.947 1.723 9.043 1.00 0.00 C ATOM 0 H LEU A 29 -10.082 3.743 8.787 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.327 3.158 11.593 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.311 1.514 10.568 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.528 2.225 8.981 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.549 3.716 9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.007 3.035 11.254 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.567 3.604 11.895 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.211 1.861 11.839 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.885 1.965 9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.080 0.722 9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.356 1.759 8.033 1.00 0.00 H new ATOM 470 N GLY A 30 -8.735 5.824 9.973 1.00 0.00 N ATOM 471 CA GLY A 30 -8.141 7.147 10.039 1.00 0.00 C ATOM 472 C GLY A 30 -6.672 7.112 9.609 1.00 0.00 C ATOM 473 O GLY A 30 -5.846 7.847 10.149 1.00 0.00 O ATOM 0 H GLY A 30 -9.459 5.716 9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.695 7.831 9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.217 7.533 11.056 1.00 0.00 H new ATOM 477 N PHE A 31 -6.392 6.250 8.643 1.00 0.00 N ATOM 478 CA PHE A 31 -5.038 6.108 8.136 1.00 0.00 C ATOM 479 C PHE A 31 -4.198 7.344 8.465 1.00 0.00 C ATOM 480 O PHE A 31 -3.754 7.515 9.600 1.00 0.00 O ATOM 481 CB PHE A 31 -5.142 5.967 6.617 1.00 0.00 C ATOM 482 CG PHE A 31 -6.135 6.933 5.968 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.428 6.962 6.385 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.722 7.766 4.974 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.350 7.859 5.783 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.642 8.664 4.372 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.937 8.692 4.789 1.00 0.00 C ATOM 0 H PHE A 31 -7.080 5.643 8.198 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.558 5.243 8.593 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.157 6.127 6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.435 4.945 6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.755 6.302 7.175 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.694 7.744 4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.378 7.880 6.114 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.314 9.325 3.583 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.637 9.375 4.331 1.00 0.00 H new ATOM 497 N LYS A 32 -4.005 8.175 7.451 1.00 0.00 N ATOM 498 CA LYS A 32 -3.225 9.390 7.618 1.00 0.00 C ATOM 499 C LYS A 32 -3.517 10.341 6.455 1.00 0.00 C ATOM 500 O LYS A 32 -3.887 11.494 6.669 1.00 0.00 O ATOM 501 CB LYS A 32 -1.741 9.057 7.781 1.00 0.00 C ATOM 502 CG LYS A 32 -1.130 9.833 8.950 1.00 0.00 C ATOM 503 CD LYS A 32 -1.304 11.342 8.756 1.00 0.00 C ATOM 504 CE LYS A 32 -1.661 12.027 10.076 1.00 0.00 C ATOM 505 NZ LYS A 32 -3.024 12.599 10.011 1.00 0.00 N ATOM 0 H LYS A 32 -4.375 8.031 6.511 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.514 9.905 8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.621 7.987 7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.207 9.298 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.603 9.525 9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.070 9.593 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.384 11.769 8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.087 11.530 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.600 11.308 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.939 12.815 10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.250 13.060 10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.070 13.300 9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.711 11.840 9.828 1.00 0.00 H new ATOM 519 N GLN A 33 -3.337 9.823 5.248 1.00 0.00 N ATOM 520 CA GLN A 33 -3.576 10.611 4.052 1.00 0.00 C ATOM 521 C GLN A 33 -3.834 9.694 2.854 1.00 0.00 C ATOM 522 O GLN A 33 -3.023 8.820 2.552 1.00 0.00 O ATOM 523 CB GLN A 33 -2.407 11.558 3.776 1.00 0.00 C ATOM 524 CG GLN A 33 -2.775 13.001 4.126 1.00 0.00 C ATOM 525 CD GLN A 33 -3.026 13.825 2.861 1.00 0.00 C ATOM 526 OE1 GLN A 33 -2.748 13.404 1.750 1.00 0.00 O ATOM 527 NE2 GLN A 33 -3.566 15.018 3.091 1.00 0.00 N ATOM 0 H GLN A 33 -3.028 8.867 5.074 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.464 11.222 4.215 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.539 11.249 4.358 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.124 11.496 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.666 13.011 4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.971 13.455 4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.774 15.308 4.047 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.773 15.643 2.312 1.00 0.00 H new ATOM 536 N ILE A 34 -4.966 9.924 2.205 1.00 0.00 N ATOM 537 CA ILE A 34 -5.340 9.130 1.048 1.00 0.00 C ATOM 538 C ILE A 34 -4.902 9.855 -0.226 1.00 0.00 C ATOM 539 O ILE A 34 -5.450 10.903 -0.568 1.00 0.00 O ATOM 540 CB ILE A 34 -6.834 8.800 1.084 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.650 10.002 1.565 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.098 7.553 1.931 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.978 10.098 0.813 1.00 0.00 C ATOM 0 H ILE A 34 -5.636 10.649 2.459 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.824 8.170 1.063 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.159 8.576 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.839 9.913 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.077 10.918 1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.167 7.339 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.562 6.704 1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.753 7.726 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.539 10.960 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.785 10.211 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.558 9.191 0.982 1.00 0.00 H new ATOM 555 N THR A 35 -3.920 9.269 -0.894 1.00 0.00 N ATOM 556 CA THR A 35 -3.402 9.846 -2.122 1.00 0.00 C ATOM 557 C THR A 35 -3.502 8.838 -3.269 1.00 0.00 C ATOM 558 O THR A 35 -2.871 7.783 -3.231 1.00 0.00 O ATOM 559 CB THR A 35 -1.972 10.321 -1.856 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.110 11.719 -1.611 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.088 10.249 -3.103 1.00 0.00 C ATOM 0 H THR A 35 -3.469 8.400 -0.608 1.00 0.00 H new ATOM 0 HA THR A 35 -3.994 10.707 -2.434 1.00 0.00 H new ATOM 0 HB THR A 35 -1.532 9.716 -1.063 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.229 12.107 -1.427 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.085 10.597 -2.858 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.039 9.219 -3.455 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.510 10.880 -3.885 1.00 0.00 H new ATOM 569 N ALA A 36 -4.302 9.199 -4.263 1.00 0.00 N ATOM 570 CA ALA A 36 -4.494 8.339 -5.419 1.00 0.00 C ATOM 571 C ALA A 36 -4.185 9.127 -6.692 1.00 0.00 C ATOM 572 O ALA A 36 -4.534 10.302 -6.800 1.00 0.00 O ATOM 573 CB ALA A 36 -5.920 7.783 -5.409 1.00 0.00 C ATOM 0 H ALA A 36 -4.824 10.075 -4.291 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.812 7.490 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.065 7.138 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.080 7.207 -4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.632 8.607 -5.447 1.00 0.00 H new ATOM 579 N ALA A 37 -3.534 8.450 -7.626 1.00 0.00 N ATOM 580 CA ALA A 37 -3.172 9.072 -8.888 1.00 0.00 C ATOM 581 C ALA A 37 -3.154 8.010 -9.989 1.00 0.00 C ATOM 582 O ALA A 37 -2.553 6.950 -9.823 1.00 0.00 O ATOM 583 CB ALA A 37 -1.825 9.783 -8.741 1.00 0.00 C ATOM 0 H ALA A 37 -3.247 7.475 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.908 9.825 -9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.554 10.249 -9.688 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.900 10.548 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.060 9.059 -8.461 1.00 0.00 H new ATOM 589 N GLY A 38 -3.820 8.331 -11.088 1.00 0.00 N ATOM 590 CA GLY A 38 -3.888 7.418 -12.216 1.00 0.00 C ATOM 591 C GLY A 38 -3.883 5.962 -11.744 1.00 0.00 C ATOM 592 O GLY A 38 -4.939 5.375 -11.522 1.00 0.00 O ATOM 0 H GLY A 38 -4.318 9.211 -11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.792 7.614 -12.793 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.042 7.592 -12.881 1.00 0.00 H new ATOM 596 N ASP A 39 -2.680 5.423 -11.606 1.00 0.00 N ATOM 597 CA ASP A 39 -2.523 4.048 -11.165 1.00 0.00 C ATOM 598 C ASP A 39 -1.236 3.923 -10.346 1.00 0.00 C ATOM 599 O ASP A 39 -0.599 4.926 -10.029 1.00 0.00 O ATOM 600 CB ASP A 39 -2.419 3.095 -12.357 1.00 0.00 C ATOM 601 CG ASP A 39 -3.582 2.111 -12.503 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.201 1.807 -11.460 1.00 0.00 O ATOM 603 OD2 ASP A 39 -3.826 1.687 -13.652 1.00 0.00 O ATOM 0 H ASP A 39 -1.805 5.914 -11.792 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.396 3.784 -10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.346 3.686 -13.270 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.492 2.528 -12.270 1.00 0.00 H new ATOM 608 N GLY A 40 -0.894 2.684 -10.026 1.00 0.00 N ATOM 609 CA GLY A 40 0.305 2.415 -9.251 1.00 0.00 C ATOM 610 C GLY A 40 1.466 3.299 -9.712 1.00 0.00 C ATOM 611 O GLY A 40 2.191 3.856 -8.890 1.00 0.00 O ATOM 0 H GLY A 40 -1.426 1.855 -10.289 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.106 2.592 -8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.580 1.365 -9.353 1.00 0.00 H new ATOM 615 N GLU A 41 1.606 3.398 -11.026 1.00 0.00 N ATOM 616 CA GLU A 41 2.666 4.205 -11.607 1.00 0.00 C ATOM 617 C GLU A 41 2.421 5.688 -11.322 1.00 0.00 C ATOM 618 O GLU A 41 3.285 6.368 -10.770 1.00 0.00 O ATOM 619 CB GLU A 41 2.788 3.948 -13.110 1.00 0.00 C ATOM 620 CG GLU A 41 3.756 2.797 -13.392 1.00 0.00 C ATOM 621 CD GLU A 41 4.338 2.903 -14.803 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.785 3.704 -15.587 1.00 0.00 O ATOM 623 OE2 GLU A 41 5.325 2.181 -15.065 1.00 0.00 O ATOM 0 H GLU A 41 1.003 2.933 -11.705 1.00 0.00 H new ATOM 0 HA GLU A 41 3.610 3.918 -11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.807 3.713 -13.523 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.136 4.852 -13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.563 2.809 -12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.237 1.845 -13.279 1.00 0.00 H new ATOM 630 N GLN A 42 1.241 6.146 -11.711 1.00 0.00 N ATOM 631 CA GLN A 42 0.872 7.536 -11.505 1.00 0.00 C ATOM 632 C GLN A 42 0.901 7.877 -10.013 1.00 0.00 C ATOM 633 O GLN A 42 1.398 8.933 -9.625 1.00 0.00 O ATOM 634 CB GLN A 42 -0.502 7.835 -12.108 1.00 0.00 C ATOM 635 CG GLN A 42 -0.530 9.224 -12.750 1.00 0.00 C ATOM 636 CD GLN A 42 -0.747 9.125 -14.261 1.00 0.00 C ATOM 637 OE1 GLN A 42 -1.027 8.071 -14.807 1.00 0.00 O ATOM 638 NE2 GLN A 42 -0.603 10.281 -14.904 1.00 0.00 N ATOM 0 H GLN A 42 0.527 5.579 -12.168 1.00 0.00 H new ATOM 0 HA GLN A 42 1.601 8.164 -12.017 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.747 7.080 -12.855 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.265 7.774 -11.332 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.326 9.819 -12.303 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.408 9.742 -12.547 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.368 11.127 -14.385 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.728 10.321 -15.916 1.00 0.00 H new ATOM 647 N GLY A 43 0.361 6.964 -9.220 1.00 0.00 N ATOM 648 CA GLY A 43 0.319 7.154 -7.780 1.00 0.00 C ATOM 649 C GLY A 43 1.713 7.000 -7.166 1.00 0.00 C ATOM 650 O GLY A 43 1.982 7.531 -6.089 1.00 0.00 O ATOM 0 H GLY A 43 -0.051 6.090 -9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.076 8.144 -7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.361 6.429 -7.333 1.00 0.00 H new ATOM 654 N MET A 44 2.560 6.271 -7.876 1.00 0.00 N ATOM 655 CA MET A 44 3.918 6.040 -7.414 1.00 0.00 C ATOM 656 C MET A 44 4.736 7.333 -7.445 1.00 0.00 C ATOM 657 O MET A 44 5.371 7.694 -6.457 1.00 0.00 O ATOM 658 CB MET A 44 4.588 4.990 -8.303 1.00 0.00 C ATOM 659 CG MET A 44 6.109 5.030 -8.146 1.00 0.00 C ATOM 660 SD MET A 44 6.550 4.903 -6.421 1.00 0.00 S ATOM 661 CE MET A 44 8.292 5.280 -6.518 1.00 0.00 C ATOM 0 H MET A 44 2.333 5.832 -8.768 1.00 0.00 H new ATOM 0 HA MET A 44 3.876 5.684 -6.385 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.218 3.998 -8.043 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.321 5.167 -9.345 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.562 4.212 -8.707 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.501 5.958 -8.563 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.869 4.429 -6.155 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.562 5.487 -7.553 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.510 6.154 -5.905 1.00 0.00 H new ATOM 671 N LYS A 45 4.692 7.994 -8.592 1.00 0.00 N ATOM 672 CA LYS A 45 5.420 9.240 -8.766 1.00 0.00 C ATOM 673 C LYS A 45 4.778 10.326 -7.901 1.00 0.00 C ATOM 674 O LYS A 45 5.477 11.113 -7.265 1.00 0.00 O ATOM 675 CB LYS A 45 5.509 9.607 -10.248 1.00 0.00 C ATOM 676 CG LYS A 45 4.115 9.726 -10.868 1.00 0.00 C ATOM 677 CD LYS A 45 4.070 9.062 -12.246 1.00 0.00 C ATOM 678 CE LYS A 45 5.175 9.604 -13.153 1.00 0.00 C ATOM 679 NZ LYS A 45 4.815 10.946 -13.664 1.00 0.00 N ATOM 0 H LYS A 45 4.164 7.691 -9.410 1.00 0.00 H new ATOM 0 HA LYS A 45 6.450 9.129 -8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.043 10.550 -10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.084 8.849 -10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.380 9.260 -10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.841 10.777 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.181 7.983 -12.137 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.098 9.238 -12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.113 9.658 -12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.336 8.922 -13.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.576 11.299 -14.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.931 10.884 -14.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.684 11.598 -12.865 1.00 0.00 H new ATOM 693 N ILE A 46 3.453 10.334 -7.905 1.00 0.00 N ATOM 694 CA ILE A 46 2.708 11.311 -7.128 1.00 0.00 C ATOM 695 C ILE A 46 2.961 11.072 -5.638 1.00 0.00 C ATOM 696 O ILE A 46 2.982 12.015 -4.849 1.00 0.00 O ATOM 697 CB ILE A 46 1.227 11.286 -7.513 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.979 12.088 -8.791 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.352 11.767 -6.354 1.00 0.00 C ATOM 700 CD1 ILE A 46 2.095 11.853 -9.812 1.00 0.00 C ATOM 0 H ILE A 46 2.876 9.680 -8.434 1.00 0.00 H new ATOM 0 HA ILE A 46 3.054 12.320 -7.352 1.00 0.00 H new ATOM 0 HB ILE A 46 0.945 10.254 -7.722 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.020 11.803 -9.223 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.918 13.150 -8.552 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.696 11.740 -6.653 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.500 11.117 -5.492 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.627 12.788 -6.090 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.894 12.435 -10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.049 12.162 -9.386 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.138 10.794 -10.067 1.00 0.00 H new ATOM 712 N MET A 47 3.146 9.804 -5.298 1.00 0.00 N ATOM 713 CA MET A 47 3.397 9.430 -3.918 1.00 0.00 C ATOM 714 C MET A 47 4.847 9.720 -3.524 1.00 0.00 C ATOM 715 O MET A 47 5.104 10.289 -2.465 1.00 0.00 O ATOM 716 CB MET A 47 3.107 7.939 -3.732 1.00 0.00 C ATOM 717 CG MET A 47 3.730 7.415 -2.437 1.00 0.00 C ATOM 718 SD MET A 47 3.756 5.631 -2.450 1.00 0.00 S ATOM 719 CE MET A 47 5.059 5.348 -3.637 1.00 0.00 C ATOM 0 H MET A 47 3.127 9.024 -5.955 1.00 0.00 H new ATOM 0 HA MET A 47 2.742 10.020 -3.278 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.030 7.774 -3.714 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.501 7.380 -4.581 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.744 7.801 -2.329 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.160 7.772 -1.579 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.648 4.483 -3.332 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.623 5.162 -4.619 1.00 0.00 H new ATOM 0 HE3 MET A 47 5.703 6.226 -3.686 1.00 0.00 H new ATOM 729 N ALA A 48 5.756 9.315 -4.399 1.00 0.00 N ATOM 730 CA ALA A 48 7.173 9.526 -4.157 1.00 0.00 C ATOM 731 C ALA A 48 7.464 11.027 -4.126 1.00 0.00 C ATOM 732 O ALA A 48 8.190 11.505 -3.255 1.00 0.00 O ATOM 733 CB ALA A 48 7.988 8.795 -5.226 1.00 0.00 C ATOM 0 H ALA A 48 5.539 8.842 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 48 7.462 9.115 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.051 8.953 -5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.768 7.728 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.727 9.182 -6.211 1.00 0.00 H new ATOM 739 N GLN A 49 6.882 11.730 -5.087 1.00 0.00 N ATOM 740 CA GLN A 49 7.070 13.167 -5.182 1.00 0.00 C ATOM 741 C GLN A 49 6.803 13.828 -3.827 1.00 0.00 C ATOM 742 O GLN A 49 7.255 14.944 -3.577 1.00 0.00 O ATOM 743 CB GLN A 49 6.177 13.767 -6.270 1.00 0.00 C ATOM 744 CG GLN A 49 6.947 13.933 -7.582 1.00 0.00 C ATOM 745 CD GLN A 49 7.904 15.123 -7.508 1.00 0.00 C ATOM 746 OE1 GLN A 49 9.044 15.013 -7.088 1.00 0.00 O ATOM 747 NE2 GLN A 49 7.380 16.267 -7.940 1.00 0.00 N ATOM 0 H GLN A 49 6.280 11.330 -5.807 1.00 0.00 H new ATOM 0 HA GLN A 49 8.106 13.360 -5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.312 13.124 -6.431 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.798 14.735 -5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.508 13.023 -7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.246 14.076 -8.404 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.418 16.291 -8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.940 17.120 -7.932 1.00 0.00 H new ATOM 756 N ASN A 50 6.069 13.110 -2.990 1.00 0.00 N ATOM 757 CA ASN A 50 5.736 13.612 -1.668 1.00 0.00 C ATOM 758 C ASN A 50 5.954 12.503 -0.636 1.00 0.00 C ATOM 759 O ASN A 50 6.447 11.428 -0.971 1.00 0.00 O ATOM 760 CB ASN A 50 4.269 14.044 -1.596 1.00 0.00 C ATOM 761 CG ASN A 50 3.667 14.176 -2.996 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.304 14.627 -3.933 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.408 13.756 -3.085 1.00 0.00 N ATOM 0 H ASN A 50 5.696 12.185 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 50 6.375 14.471 -1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.700 13.316 -1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.192 14.997 -1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.917 13.801 -3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.933 13.389 -2.260 1.00 0.00 H new ATOM 770 N PRO A 51 5.566 12.812 0.630 1.00 0.00 N ATOM 771 CA PRO A 51 5.714 11.855 1.713 1.00 0.00 C ATOM 772 C PRO A 51 4.655 10.754 1.620 1.00 0.00 C ATOM 773 O PRO A 51 3.552 10.988 1.126 1.00 0.00 O ATOM 774 CB PRO A 51 5.603 12.680 2.985 1.00 0.00 C ATOM 775 CG PRO A 51 4.936 13.984 2.580 1.00 0.00 C ATOM 776 CD PRO A 51 4.977 14.077 1.062 1.00 0.00 C ATOM 0 HA PRO A 51 6.666 11.326 1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.014 12.158 3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.586 12.863 3.419 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.906 14.013 2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.453 14.832 3.029 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.978 14.212 0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.576 14.926 0.733 1.00 0.00 H new ATOM 784 N HIS A 52 5.027 9.578 2.103 1.00 0.00 N ATOM 785 CA HIS A 52 4.123 8.440 2.079 1.00 0.00 C ATOM 786 C HIS A 52 4.660 7.340 2.998 1.00 0.00 C ATOM 787 O HIS A 52 5.860 7.275 3.258 1.00 0.00 O ATOM 788 CB HIS A 52 3.894 7.957 0.646 1.00 0.00 C ATOM 789 CG HIS A 52 5.147 7.477 -0.048 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.094 8.344 -0.566 1.00 0.00 N ATOM 791 CD2 HIS A 52 5.597 6.216 -0.303 1.00 0.00 C ATOM 792 CE1 HIS A 52 7.066 7.625 -1.107 1.00 0.00 C ATOM 793 NE2 HIS A 52 6.757 6.307 -0.944 1.00 0.00 N ATOM 0 H HIS A 52 5.941 9.388 2.513 1.00 0.00 H new ATOM 0 HA HIS A 52 3.146 8.739 2.459 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.165 7.147 0.659 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.458 8.769 0.065 1.00 0.00 H new ATOM 0 HD1 HIS A 52 6.051 9.363 -0.536 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.096 5.299 -0.030 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.949 8.014 -1.592 1.00 0.00 H new ATOM 802 N HIS A 53 3.744 6.503 3.462 1.00 0.00 N ATOM 803 CA HIS A 53 4.110 5.409 4.346 1.00 0.00 C ATOM 804 C HIS A 53 3.200 4.207 4.080 1.00 0.00 C ATOM 805 O HIS A 53 3.166 3.264 4.868 1.00 0.00 O ATOM 806 CB HIS A 53 4.085 5.860 5.808 1.00 0.00 C ATOM 807 CG HIS A 53 4.319 4.744 6.798 1.00 0.00 C ATOM 808 ND1 HIS A 53 3.287 4.090 7.449 1.00 0.00 N ATOM 809 CD2 HIS A 53 5.477 4.174 7.242 1.00 0.00 C ATOM 810 CE1 HIS A 53 3.812 3.170 8.246 1.00 0.00 C ATOM 811 NE2 HIS A 53 5.169 3.225 8.116 1.00 0.00 N ATOM 0 H HIS A 53 2.749 6.560 3.243 1.00 0.00 H new ATOM 0 HA HIS A 53 5.134 5.098 4.140 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.845 6.627 5.954 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.121 6.323 6.019 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.475 4.449 6.934 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.262 2.496 8.886 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.837 2.633 8.610 1.00 0.00 H new ATOM 820 N LEU A 54 2.486 4.283 2.967 1.00 0.00 N ATOM 821 CA LEU A 54 1.578 3.214 2.587 1.00 0.00 C ATOM 822 C LEU A 54 1.353 3.254 1.074 1.00 0.00 C ATOM 823 O LEU A 54 1.132 4.322 0.505 1.00 0.00 O ATOM 824 CB LEU A 54 0.285 3.293 3.403 1.00 0.00 C ATOM 825 CG LEU A 54 0.194 2.354 4.608 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.023 3.145 5.907 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.917 1.321 4.414 1.00 0.00 C ATOM 0 H LEU A 54 2.518 5.068 2.316 1.00 0.00 H new ATOM 0 HA LEU A 54 2.016 2.243 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.163 4.317 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.554 3.083 2.739 1.00 0.00 H new ATOM 0 HG LEU A 54 1.133 1.806 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.039 2.454 6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.877 3.808 6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.891 3.737 5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.961 0.666 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.872 1.832 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.711 0.728 3.523 1.00 0.00 H new ATOM 839 N VAL A 55 1.419 2.079 0.466 1.00 0.00 N ATOM 840 CA VAL A 55 1.226 1.966 -0.969 1.00 0.00 C ATOM 841 C VAL A 55 0.273 0.806 -1.262 1.00 0.00 C ATOM 842 O VAL A 55 0.701 -0.344 -1.359 1.00 0.00 O ATOM 843 CB VAL A 55 2.578 1.820 -1.669 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.421 1.902 -3.188 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.573 2.868 -1.165 1.00 0.00 C ATOM 0 H VAL A 55 1.604 1.196 0.942 1.00 0.00 H new ATOM 0 HA VAL A 55 0.766 2.872 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 55 2.976 0.835 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.397 1.795 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.763 1.103 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.991 2.866 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.526 2.742 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.183 3.866 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.720 2.744 -0.092 1.00 0.00 H new ATOM 855 N ILE A 56 -1.000 1.146 -1.395 1.00 0.00 N ATOM 856 CA ILE A 56 -2.017 0.147 -1.674 1.00 0.00 C ATOM 857 C ILE A 56 -2.590 0.385 -3.073 1.00 0.00 C ATOM 858 O ILE A 56 -2.847 1.526 -3.456 1.00 0.00 O ATOM 859 CB ILE A 56 -3.076 0.136 -0.569 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.331 0.896 -1.006 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.505 0.678 0.743 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.252 0.002 -1.838 1.00 0.00 C ATOM 0 H ILE A 56 -1.351 2.100 -1.315 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.580 -0.851 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.372 -0.898 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.866 1.258 -0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.046 1.772 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.278 0.659 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.665 0.058 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.165 1.703 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.136 0.567 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.722 -0.338 -2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.555 -0.860 -1.244 1.00 0.00 H new ATOM 874 N SER A 57 -2.773 -0.708 -3.797 1.00 0.00 N ATOM 875 CA SER A 57 -3.311 -0.633 -5.145 1.00 0.00 C ATOM 876 C SER A 57 -4.207 -1.842 -5.420 1.00 0.00 C ATOM 877 O SER A 57 -4.247 -2.782 -4.627 1.00 0.00 O ATOM 878 CB SER A 57 -2.188 -0.557 -6.182 1.00 0.00 C ATOM 879 OG SER A 57 -2.383 -1.483 -7.248 1.00 0.00 O ATOM 0 H SER A 57 -2.558 -1.652 -3.476 1.00 0.00 H new ATOM 0 HA SER A 57 -3.906 0.277 -5.226 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.135 0.454 -6.585 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.233 -0.758 -5.697 1.00 0.00 H new ATOM 0 HG SER A 57 -1.861 -2.294 -7.076 1.00 0.00 H new ATOM 885 N ASP A 58 -4.903 -1.778 -6.545 1.00 0.00 N ATOM 886 CA ASP A 58 -5.797 -2.855 -6.934 1.00 0.00 C ATOM 887 C ASP A 58 -5.088 -3.762 -7.942 1.00 0.00 C ATOM 888 O ASP A 58 -3.903 -3.581 -8.218 1.00 0.00 O ATOM 889 CB ASP A 58 -7.063 -2.310 -7.598 1.00 0.00 C ATOM 890 CG ASP A 58 -8.375 -2.866 -7.043 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.399 -3.162 -5.829 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.326 -2.984 -7.846 1.00 0.00 O ATOM 0 H ASP A 58 -4.866 -0.997 -7.200 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.071 -3.406 -6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.072 -1.225 -7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.017 -2.526 -8.665 1.00 0.00 H new ATOM 897 N PHE A 59 -5.843 -4.716 -8.466 1.00 0.00 N ATOM 898 CA PHE A 59 -5.300 -5.650 -9.439 1.00 0.00 C ATOM 899 C PHE A 59 -5.956 -5.458 -10.807 1.00 0.00 C ATOM 900 O PHE A 59 -5.856 -6.325 -11.675 1.00 0.00 O ATOM 901 CB PHE A 59 -5.614 -7.058 -8.929 1.00 0.00 C ATOM 902 CG PHE A 59 -7.020 -7.210 -8.343 1.00 0.00 C ATOM 903 CD1 PHE A 59 -8.036 -6.436 -8.808 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.251 -8.117 -7.357 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.341 -6.575 -8.264 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.556 -8.257 -6.813 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.574 -7.484 -7.279 1.00 0.00 C ATOM 0 H PHE A 59 -6.826 -4.863 -8.236 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.228 -5.488 -9.554 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.495 -7.765 -9.750 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.883 -7.329 -8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.851 -5.715 -9.591 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.443 -8.731 -6.987 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.148 -5.959 -8.632 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.740 -8.977 -6.029 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.567 -7.592 -6.867 1.00 0.00 H new ATOM 917 N ASN A 60 -6.614 -4.318 -10.959 1.00 0.00 N ATOM 918 CA ASN A 60 -7.285 -4.001 -12.207 1.00 0.00 C ATOM 919 C ASN A 60 -6.268 -4.025 -13.349 1.00 0.00 C ATOM 920 O ASN A 60 -6.155 -5.019 -14.065 1.00 0.00 O ATOM 921 CB ASN A 60 -7.910 -2.606 -12.159 1.00 0.00 C ATOM 922 CG ASN A 60 -9.437 -2.690 -12.115 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.130 -2.373 -13.069 1.00 0.00 O ATOM 924 ND2 ASN A 60 -9.922 -3.132 -10.959 1.00 0.00 N ATOM 0 H ASN A 60 -6.696 -3.602 -10.237 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.069 -4.741 -12.364 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.546 -2.071 -11.282 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.599 -2.034 -13.033 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.930 -3.223 -10.830 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.286 -3.380 -10.201 1.00 0.00 H new ATOM 931 N MET A 61 -5.553 -2.917 -13.485 1.00 0.00 N ATOM 932 CA MET A 61 -4.549 -2.798 -14.527 1.00 0.00 C ATOM 933 C MET A 61 -3.536 -1.702 -14.189 1.00 0.00 C ATOM 934 O MET A 61 -3.238 -0.847 -15.023 1.00 0.00 O ATOM 935 CB MET A 61 -5.230 -2.471 -15.857 1.00 0.00 C ATOM 936 CG MET A 61 -6.163 -1.266 -15.714 1.00 0.00 C ATOM 937 SD MET A 61 -6.239 -0.367 -17.255 1.00 0.00 S ATOM 938 CE MET A 61 -7.913 -0.745 -17.751 1.00 0.00 C ATOM 0 H MET A 61 -5.650 -2.094 -12.890 1.00 0.00 H new ATOM 0 HA MET A 61 -4.018 -3.747 -14.604 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.475 -2.263 -16.615 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.797 -3.336 -16.201 1.00 0.00 H new ATOM 0 HG2 MET A 61 -7.161 -1.600 -15.429 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.806 -0.612 -14.919 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.041 -0.510 -18.808 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.110 -1.805 -17.589 1.00 0.00 H new ATOM 0 HE3 MET A 61 -8.610 -0.152 -17.160 1.00 0.00 H new ATOM 948 N PRO A 62 -3.019 -1.764 -12.933 1.00 0.00 N ATOM 949 CA PRO A 62 -2.045 -0.788 -12.475 1.00 0.00 C ATOM 950 C PRO A 62 -0.670 -1.055 -13.090 1.00 0.00 C ATOM 951 O PRO A 62 -0.247 -2.204 -13.197 1.00 0.00 O ATOM 952 CB PRO A 62 -2.051 -0.908 -10.959 1.00 0.00 C ATOM 953 CG PRO A 62 -2.680 -2.257 -10.650 1.00 0.00 C ATOM 954 CD PRO A 62 -3.348 -2.762 -11.919 1.00 0.00 C ATOM 0 HA PRO A 62 -2.292 0.228 -12.782 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.039 -0.848 -10.559 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.622 -0.098 -10.505 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.922 -2.963 -10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.410 -2.163 -9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.975 -3.748 -12.198 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.426 -2.854 -11.789 1.00 0.00 H new ATOM 962 N LYS A 63 -0.011 0.027 -13.478 1.00 0.00 N ATOM 963 CA LYS A 63 1.307 -0.076 -14.080 1.00 0.00 C ATOM 964 C LYS A 63 2.341 -0.360 -12.988 1.00 0.00 C ATOM 965 O LYS A 63 3.438 -0.838 -13.275 1.00 0.00 O ATOM 966 CB LYS A 63 1.616 1.172 -14.910 1.00 0.00 C ATOM 967 CG LYS A 63 0.826 1.170 -16.219 1.00 0.00 C ATOM 968 CD LYS A 63 1.140 -0.078 -17.047 1.00 0.00 C ATOM 969 CE LYS A 63 0.912 0.182 -18.538 1.00 0.00 C ATOM 970 NZ LYS A 63 0.864 -1.095 -19.285 1.00 0.00 N ATOM 0 H LYS A 63 -0.365 0.979 -13.387 1.00 0.00 H new ATOM 0 HA LYS A 63 1.343 -0.912 -14.779 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.371 2.065 -14.335 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.684 1.214 -15.126 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.242 1.209 -16.004 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.068 2.063 -16.795 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.174 -0.379 -16.881 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.511 -0.905 -16.718 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.021 0.728 -18.680 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.712 0.810 -18.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.709 -0.901 -20.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.764 -1.602 -19.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.085 -1.681 -18.921 1.00 0.00 H new ATOM 984 N MET A 64 1.955 -0.054 -11.758 1.00 0.00 N ATOM 985 CA MET A 64 2.834 -0.270 -10.622 1.00 0.00 C ATOM 986 C MET A 64 2.075 -0.903 -9.454 1.00 0.00 C ATOM 987 O MET A 64 1.702 -0.214 -8.505 1.00 0.00 O ATOM 988 CB MET A 64 3.433 1.067 -10.178 1.00 0.00 C ATOM 989 CG MET A 64 4.924 0.922 -9.867 1.00 0.00 C ATOM 990 SD MET A 64 5.816 0.467 -11.344 1.00 0.00 S ATOM 991 CE MET A 64 7.061 1.745 -11.361 1.00 0.00 C ATOM 0 H MET A 64 1.045 0.342 -11.523 1.00 0.00 H new ATOM 0 HA MET A 64 3.629 -0.951 -10.926 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.292 1.811 -10.962 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.907 1.430 -9.295 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.314 1.860 -9.471 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.071 0.165 -9.096 1.00 0.00 H new ATOM 0 HE1 MET A 64 7.333 1.974 -12.391 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.668 2.642 -10.882 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.943 1.401 -10.820 1.00 0.00 H new ATOM 1001 N ASP A 65 1.868 -2.206 -9.561 1.00 0.00 N ATOM 1002 CA ASP A 65 1.160 -2.940 -8.525 1.00 0.00 C ATOM 1003 C ASP A 65 2.091 -3.155 -7.331 1.00 0.00 C ATOM 1004 O ASP A 65 3.266 -2.794 -7.383 1.00 0.00 O ATOM 1005 CB ASP A 65 0.713 -4.313 -9.030 1.00 0.00 C ATOM 1006 CG ASP A 65 -0.270 -5.049 -8.118 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -0.834 -4.374 -7.229 1.00 0.00 O ATOM 1008 OD2 ASP A 65 -0.438 -6.269 -8.331 1.00 0.00 O ATOM 0 H ASP A 65 2.178 -2.774 -10.350 1.00 0.00 H new ATOM 0 HA ASP A 65 0.284 -2.358 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.253 -4.191 -10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.595 -4.938 -9.167 1.00 0.00 H new ATOM 1013 N GLY A 66 1.531 -3.741 -6.282 1.00 0.00 N ATOM 1014 CA GLY A 66 2.298 -4.008 -5.077 1.00 0.00 C ATOM 1015 C GLY A 66 3.764 -4.292 -5.411 1.00 0.00 C ATOM 1016 O GLY A 66 4.655 -3.557 -4.987 1.00 0.00 O ATOM 0 H GLY A 66 0.556 -4.038 -6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.234 -3.153 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.870 -4.861 -4.551 1.00 0.00 H new ATOM 1020 N LEU A 67 3.970 -5.360 -6.167 1.00 0.00 N ATOM 1021 CA LEU A 67 5.312 -5.750 -6.562 1.00 0.00 C ATOM 1022 C LEU A 67 5.975 -4.592 -7.312 1.00 0.00 C ATOM 1023 O LEU A 67 7.130 -4.259 -7.051 1.00 0.00 O ATOM 1024 CB LEU A 67 5.278 -7.057 -7.357 1.00 0.00 C ATOM 1025 CG LEU A 67 4.705 -8.272 -6.624 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.427 -9.555 -7.042 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.737 -8.064 -5.108 1.00 0.00 C ATOM 0 H LEU A 67 3.229 -5.968 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 67 5.924 -5.954 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.693 -6.894 -8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.294 -7.294 -7.673 1.00 0.00 H new ATOM 0 HG LEU A 67 3.659 -8.382 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.001 -10.403 -6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.308 -9.706 -8.115 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.487 -9.470 -6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.324 -8.942 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.767 -7.914 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.143 -7.188 -4.848 1.00 0.00 H new ATOM 1039 N GLY A 68 5.216 -4.012 -8.229 1.00 0.00 N ATOM 1040 CA GLY A 68 5.715 -2.898 -9.019 1.00 0.00 C ATOM 1041 C GLY A 68 6.229 -1.773 -8.117 1.00 0.00 C ATOM 1042 O GLY A 68 7.264 -1.173 -8.396 1.00 0.00 O ATOM 0 H GLY A 68 4.259 -4.292 -8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.518 -3.241 -9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.921 -2.519 -9.662 1.00 0.00 H new ATOM 1046 N LEU A 69 5.479 -1.523 -7.053 1.00 0.00 N ATOM 1047 CA LEU A 69 5.846 -0.481 -6.109 1.00 0.00 C ATOM 1048 C LEU A 69 7.156 -0.863 -5.418 1.00 0.00 C ATOM 1049 O LEU A 69 8.029 -0.019 -5.225 1.00 0.00 O ATOM 1050 CB LEU A 69 4.696 -0.209 -5.138 1.00 0.00 C ATOM 1051 CG LEU A 69 3.306 -0.070 -5.765 1.00 0.00 C ATOM 1052 CD1 LEU A 69 2.251 -0.789 -4.924 1.00 0.00 C ATOM 1053 CD2 LEU A 69 2.953 1.401 -5.994 1.00 0.00 C ATOM 0 H LEU A 69 4.620 -2.023 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 69 6.022 0.460 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.664 -1.018 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.919 0.706 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 69 3.322 -0.553 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.273 -0.675 -5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.499 -1.848 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.227 -0.358 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.961 1.472 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.961 1.930 -5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.685 1.851 -6.664 1.00 0.00 H new ATOM 1065 N LEU A 70 7.253 -2.136 -5.065 1.00 0.00 N ATOM 1066 CA LEU A 70 8.441 -2.640 -4.399 1.00 0.00 C ATOM 1067 C LEU A 70 9.658 -2.416 -5.299 1.00 0.00 C ATOM 1068 O LEU A 70 10.705 -1.969 -4.834 1.00 0.00 O ATOM 1069 CB LEU A 70 8.245 -4.099 -3.983 1.00 0.00 C ATOM 1070 CG LEU A 70 9.457 -5.016 -4.159 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.552 -5.529 -5.597 1.00 0.00 C ATOM 1072 CD2 LEU A 70 10.743 -4.317 -3.715 1.00 0.00 C ATOM 0 H LEU A 70 6.527 -2.834 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 70 8.621 -2.091 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.948 -4.120 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.416 -4.512 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 70 9.324 -5.885 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.422 -6.178 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.651 -6.090 -5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.651 -4.684 -6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.589 -4.991 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.895 -3.419 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.663 -4.042 -2.663 1.00 0.00 H new ATOM 1084 N GLN A 71 9.480 -2.738 -6.572 1.00 0.00 N ATOM 1085 CA GLN A 71 10.550 -2.577 -7.542 1.00 0.00 C ATOM 1086 C GLN A 71 10.971 -1.108 -7.628 1.00 0.00 C ATOM 1087 O GLN A 71 12.150 -0.807 -7.810 1.00 0.00 O ATOM 1088 CB GLN A 71 10.132 -3.109 -8.914 1.00 0.00 C ATOM 1089 CG GLN A 71 10.412 -4.609 -9.029 1.00 0.00 C ATOM 1090 CD GLN A 71 10.944 -4.961 -10.420 1.00 0.00 C ATOM 1091 OE1 GLN A 71 11.710 -4.228 -11.024 1.00 0.00 O ATOM 1092 NE2 GLN A 71 10.496 -6.121 -10.891 1.00 0.00 N ATOM 0 H GLN A 71 8.610 -3.110 -6.954 1.00 0.00 H new ATOM 0 HA GLN A 71 11.407 -3.162 -7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.070 -2.920 -9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.671 -2.574 -9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.138 -4.906 -8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.498 -5.170 -8.832 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.856 -6.685 -10.332 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.792 -6.446 -11.811 1.00 0.00 H new ATOM 1101 N ALA A 72 9.986 -0.234 -7.493 1.00 0.00 N ATOM 1102 CA ALA A 72 10.240 1.196 -7.554 1.00 0.00 C ATOM 1103 C ALA A 72 11.044 1.619 -6.323 1.00 0.00 C ATOM 1104 O ALA A 72 12.012 2.369 -6.438 1.00 0.00 O ATOM 1105 CB ALA A 72 8.911 1.945 -7.668 1.00 0.00 C ATOM 0 H ALA A 72 9.010 -0.488 -7.341 1.00 0.00 H new ATOM 0 HA ALA A 72 10.831 1.444 -8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.101 3.017 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.392 1.629 -8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.292 1.723 -6.799 1.00 0.00 H new ATOM 1111 N VAL A 73 10.614 1.120 -5.174 1.00 0.00 N ATOM 1112 CA VAL A 73 11.281 1.437 -3.923 1.00 0.00 C ATOM 1113 C VAL A 73 12.761 1.063 -4.031 1.00 0.00 C ATOM 1114 O VAL A 73 13.622 1.760 -3.497 1.00 0.00 O ATOM 1115 CB VAL A 73 10.572 0.741 -2.760 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.053 0.797 -2.932 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.054 -0.702 -2.608 1.00 0.00 C ATOM 0 H VAL A 73 9.811 0.498 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 73 11.229 2.507 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 73 10.825 1.276 -1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.573 0.295 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.729 1.837 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.773 0.299 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.534 -1.173 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.845 -1.254 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.127 -0.709 -2.417 1.00 0.00 H new ATOM 1127 N ARG A 74 13.011 -0.036 -4.727 1.00 0.00 N ATOM 1128 CA ARG A 74 14.371 -0.512 -4.912 1.00 0.00 C ATOM 1129 C ARG A 74 15.211 0.546 -5.632 1.00 0.00 C ATOM 1130 O ARG A 74 16.439 0.510 -5.580 1.00 0.00 O ATOM 1131 CB ARG A 74 14.397 -1.810 -5.722 1.00 0.00 C ATOM 1132 CG ARG A 74 14.323 -3.030 -4.802 1.00 0.00 C ATOM 1133 CD ARG A 74 14.812 -4.290 -5.523 1.00 0.00 C ATOM 1134 NE ARG A 74 13.658 -5.066 -6.025 1.00 0.00 N ATOM 1135 CZ ARG A 74 13.720 -5.927 -7.050 1.00 0.00 C ATOM 1136 NH1 ARG A 74 14.882 -6.128 -7.686 1.00 0.00 N ATOM 1137 NH2 ARG A 74 12.621 -6.589 -7.437 1.00 0.00 N ATOM 0 H ARG A 74 12.294 -0.611 -5.170 1.00 0.00 H new ATOM 0 HA ARG A 74 14.790 -0.705 -3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.560 -1.825 -6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.309 -1.853 -6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.929 -2.857 -3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.297 -3.174 -4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 74 15.464 -4.015 -6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.404 -4.902 -4.842 1.00 0.00 H new ATOM 0 HE ARG A 74 12.758 -4.938 -5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.719 -5.626 -7.390 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.930 -6.783 -8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.737 -6.438 -6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.669 -7.244 -8.217 1.00 0.00 H new ATOM 1151 N ALA A 75 14.513 1.464 -6.286 1.00 0.00 N ATOM 1152 CA ALA A 75 15.178 2.530 -7.015 1.00 0.00 C ATOM 1153 C ALA A 75 15.099 3.824 -6.202 1.00 0.00 C ATOM 1154 O ALA A 75 15.913 4.727 -6.388 1.00 0.00 O ATOM 1155 CB ALA A 75 14.545 2.672 -8.401 1.00 0.00 C ATOM 0 H ALA A 75 13.494 1.491 -6.326 1.00 0.00 H new ATOM 0 HA ALA A 75 16.233 2.296 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.044 3.472 -8.949 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.653 1.735 -8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.487 2.910 -8.295 1.00 0.00 H new ATOM 1161 N ASN A 76 14.113 3.871 -5.319 1.00 0.00 N ATOM 1162 CA ASN A 76 13.917 5.039 -4.478 1.00 0.00 C ATOM 1163 C ASN A 76 13.800 4.597 -3.018 1.00 0.00 C ATOM 1164 O ASN A 76 12.837 3.929 -2.643 1.00 0.00 O ATOM 1165 CB ASN A 76 12.632 5.780 -4.852 1.00 0.00 C ATOM 1166 CG ASN A 76 12.812 7.293 -4.721 1.00 0.00 C ATOM 1167 OD1 ASN A 76 13.911 7.804 -4.578 1.00 0.00 O ATOM 1168 ND2 ASN A 76 11.675 7.980 -4.775 1.00 0.00 N ATOM 0 H ASN A 76 13.441 3.119 -5.168 1.00 0.00 H new ATOM 0 HA ASN A 76 14.770 5.703 -4.621 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.350 5.531 -5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.817 5.450 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.689 8.997 -4.695 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.789 7.490 -4.896 1.00 0.00 H new ATOM 1175 N PRO A 77 14.820 4.997 -2.212 1.00 0.00 N ATOM 1176 CA PRO A 77 14.841 4.649 -0.801 1.00 0.00 C ATOM 1177 C PRO A 77 13.840 5.496 -0.013 1.00 0.00 C ATOM 1178 O PRO A 77 13.651 5.287 1.183 1.00 0.00 O ATOM 1179 CB PRO A 77 16.279 4.869 -0.363 1.00 0.00 C ATOM 1180 CG PRO A 77 16.904 5.769 -1.417 1.00 0.00 C ATOM 1181 CD PRO A 77 15.976 5.789 -2.622 1.00 0.00 C ATOM 0 HA PRO A 77 14.536 3.619 -0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.320 5.334 0.622 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.814 3.922 -0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.043 6.777 -1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 77 17.889 5.399 -1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.686 6.807 -2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.458 5.360 -3.501 1.00 0.00 H new ATOM 1189 N ALA A 78 13.224 6.435 -0.718 1.00 0.00 N ATOM 1190 CA ALA A 78 12.247 7.315 -0.098 1.00 0.00 C ATOM 1191 C ALA A 78 10.960 6.532 0.169 1.00 0.00 C ATOM 1192 O ALA A 78 10.283 6.767 1.170 1.00 0.00 O ATOM 1193 CB ALA A 78 12.014 8.531 -0.997 1.00 0.00 C ATOM 0 H ALA A 78 13.382 6.605 -1.711 1.00 0.00 H new ATOM 0 HA ALA A 78 12.614 7.683 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.282 9.192 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.953 9.068 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.642 8.201 -1.967 1.00 0.00 H new ATOM 1199 N THR A 79 10.661 5.618 -0.742 1.00 0.00 N ATOM 1200 CA THR A 79 9.467 4.799 -0.616 1.00 0.00 C ATOM 1201 C THR A 79 9.829 3.402 -0.109 1.00 0.00 C ATOM 1202 O THR A 79 8.975 2.520 -0.045 1.00 0.00 O ATOM 1203 CB THR A 79 8.757 4.788 -1.971 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.523 4.125 -1.711 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.457 3.888 -2.991 1.00 0.00 C ATOM 0 H THR A 79 11.225 5.426 -1.570 1.00 0.00 H new ATOM 0 HA THR A 79 8.781 5.211 0.124 1.00 0.00 H new ATOM 0 HB THR A 79 8.703 5.804 -2.361 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.820 4.790 -1.559 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.913 3.916 -3.935 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.476 4.241 -3.149 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.482 2.865 -2.617 1.00 0.00 H new ATOM 1213 N LYS A 80 11.097 3.244 0.241 1.00 0.00 N ATOM 1214 CA LYS A 80 11.583 1.970 0.741 1.00 0.00 C ATOM 1215 C LYS A 80 11.065 1.755 2.165 1.00 0.00 C ATOM 1216 O LYS A 80 11.169 0.656 2.708 1.00 0.00 O ATOM 1217 CB LYS A 80 13.106 1.893 0.624 1.00 0.00 C ATOM 1218 CG LYS A 80 13.784 2.723 1.716 1.00 0.00 C ATOM 1219 CD LYS A 80 14.356 1.824 2.813 1.00 0.00 C ATOM 1220 CE LYS A 80 15.886 1.818 2.775 1.00 0.00 C ATOM 1221 NZ LYS A 80 16.386 0.533 2.239 1.00 0.00 N ATOM 0 H LYS A 80 11.803 3.978 0.188 1.00 0.00 H new ATOM 0 HA LYS A 80 11.198 1.151 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.428 0.854 0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.417 2.253 -0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.583 3.322 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.064 3.418 2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.014 2.172 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.982 0.808 2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.243 2.641 2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.281 1.979 3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.426 0.546 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.060 -0.246 2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.024 0.395 1.274 1.00 0.00 H new ATOM 1235 N LYS A 81 10.518 2.821 2.729 1.00 0.00 N ATOM 1236 CA LYS A 81 9.983 2.763 4.079 1.00 0.00 C ATOM 1237 C LYS A 81 8.455 2.795 4.019 1.00 0.00 C ATOM 1238 O LYS A 81 7.792 2.906 5.049 1.00 0.00 O ATOM 1239 CB LYS A 81 10.589 3.871 4.943 1.00 0.00 C ATOM 1240 CG LYS A 81 9.793 5.170 4.806 1.00 0.00 C ATOM 1241 CD LYS A 81 10.531 6.337 5.464 1.00 0.00 C ATOM 1242 CE LYS A 81 11.412 7.070 4.450 1.00 0.00 C ATOM 1243 NZ LYS A 81 10.674 8.202 3.846 1.00 0.00 N ATOM 0 H LYS A 81 10.433 3.731 2.276 1.00 0.00 H new ATOM 0 HA LYS A 81 10.263 1.826 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.603 3.557 5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.624 4.042 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.626 5.389 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.812 5.050 5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.810 7.032 5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.146 5.967 6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.314 7.436 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.732 6.379 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.389 7.953 2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.827 8.407 4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.286 9.042 3.822 1.00 0.00 H new ATOM 1257 N ALA A 82 7.939 2.697 2.803 1.00 0.00 N ATOM 1258 CA ALA A 82 6.502 2.715 2.595 1.00 0.00 C ATOM 1259 C ALA A 82 6.002 1.281 2.399 1.00 0.00 C ATOM 1260 O ALA A 82 6.537 0.541 1.576 1.00 0.00 O ATOM 1261 CB ALA A 82 6.168 3.616 1.404 1.00 0.00 C ATOM 0 H ALA A 82 8.492 2.605 1.951 1.00 0.00 H new ATOM 0 HA ALA A 82 5.994 3.127 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.089 3.629 1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.518 4.629 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.659 3.233 0.509 1.00 0.00 H new ATOM 1267 N ALA A 83 4.982 0.934 3.171 1.00 0.00 N ATOM 1268 CA ALA A 83 4.404 -0.397 3.093 1.00 0.00 C ATOM 1269 C ALA A 83 3.288 -0.403 2.047 1.00 0.00 C ATOM 1270 O ALA A 83 2.326 0.358 2.155 1.00 0.00 O ATOM 1271 CB ALA A 83 3.909 -0.820 4.476 1.00 0.00 C ATOM 0 H ALA A 83 4.541 1.551 3.853 1.00 0.00 H new ATOM 0 HA ALA A 83 5.154 -1.123 2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.475 -1.818 4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.745 -0.828 5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.153 -0.116 4.823 1.00 0.00 H new ATOM 1277 N PHE A 84 3.452 -1.269 1.058 1.00 0.00 N ATOM 1278 CA PHE A 84 2.470 -1.384 -0.008 1.00 0.00 C ATOM 1279 C PHE A 84 1.498 -2.534 0.264 1.00 0.00 C ATOM 1280 O PHE A 84 1.871 -3.534 0.877 1.00 0.00 O ATOM 1281 CB PHE A 84 3.240 -1.675 -1.296 1.00 0.00 C ATOM 1282 CG PHE A 84 4.760 -1.661 -1.130 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.413 -0.483 -0.939 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.459 -2.826 -1.173 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.824 -0.470 -0.784 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.871 -2.813 -1.017 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.523 -1.635 -0.827 1.00 0.00 C ATOM 0 H PHE A 84 4.250 -1.898 0.972 1.00 0.00 H new ATOM 0 HA PHE A 84 1.890 -0.464 -0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.936 -2.650 -1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.960 -0.938 -2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.858 0.443 -0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.941 -3.761 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.342 0.465 -0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.426 -3.739 -1.049 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.597 -1.625 -0.710 1.00 0.00 H new ATOM 1297 N ILE A 85 0.273 -2.356 -0.207 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.755 -3.368 -0.021 1.00 0.00 C ATOM 1299 C ILE A 85 -1.243 -3.846 -1.390 1.00 0.00 C ATOM 1300 O ILE A 85 -1.465 -3.040 -2.292 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.871 -2.838 0.880 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.714 -3.359 2.311 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.247 -3.167 0.298 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -3.001 -4.032 2.793 1.00 0.00 C ATOM 0 H ILE A 85 -0.032 -1.527 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.348 -4.237 0.495 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.790 -1.752 0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.889 -4.070 2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.459 -2.534 2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.023 -2.779 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.345 -2.709 -0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.355 -4.248 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.863 -4.393 3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.819 -3.311 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.239 -4.871 2.140 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.397 -5.158 -1.501 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.856 -5.755 -2.745 1.00 0.00 C ATOM 1318 C ILE A 86 -2.939 -6.791 -2.439 1.00 0.00 C ATOM 1319 O ILE A 86 -2.656 -7.837 -1.857 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.674 -6.316 -3.538 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.154 -7.060 -4.785 1.00 0.00 C ATOM 1322 CG2 ILE A 86 0.213 -7.194 -2.652 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -0.034 -7.916 -5.379 1.00 0.00 C ATOM 0 H ILE A 86 -1.212 -5.824 -0.751 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.310 -4.999 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.063 -5.480 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.004 -7.693 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.502 -6.343 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.046 -7.580 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.599 -6.602 -1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.373 -8.026 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.403 -8.434 -6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.805 -7.277 -5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.295 -8.648 -4.641 1.00 0.00 H new ATOM 1335 N LEU A 87 -4.157 -6.464 -2.844 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.284 -7.353 -2.621 1.00 0.00 C ATOM 1337 C LEU A 87 -5.512 -8.205 -3.872 1.00 0.00 C ATOM 1338 O LEU A 87 -5.593 -7.676 -4.980 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.516 -6.558 -2.186 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.656 -6.476 -3.203 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.197 -5.777 -4.485 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.242 -7.861 -3.483 1.00 0.00 C ATOM 0 H LEU A 87 -4.388 -5.595 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.071 -8.040 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.905 -7.002 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.201 -5.544 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.454 -5.870 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.026 -5.732 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.865 -4.766 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.372 -6.335 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.050 -7.774 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.464 -8.511 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.630 -8.286 -2.557 1.00 0.00 H new ATOM 1354 N THR A 88 -5.611 -9.507 -3.653 1.00 0.00 N ATOM 1355 CA THR A 88 -5.828 -10.436 -4.748 1.00 0.00 C ATOM 1356 C THR A 88 -6.572 -11.679 -4.254 1.00 0.00 C ATOM 1357 O THR A 88 -6.620 -11.941 -3.054 1.00 0.00 O ATOM 1358 CB THR A 88 -4.469 -10.751 -5.378 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.768 -11.713 -6.386 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.537 -11.495 -4.418 1.00 0.00 C ATOM 0 H THR A 88 -5.545 -9.941 -2.732 1.00 0.00 H new ATOM 0 HA THR A 88 -6.465 -9.999 -5.517 1.00 0.00 H new ATOM 0 HB THR A 88 -3.995 -9.824 -5.700 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.126 -11.627 -7.121 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.587 -11.694 -4.914 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.363 -10.883 -3.533 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.997 -12.438 -4.123 1.00 0.00 H new ATOM 1368 N ALA A 89 -7.131 -12.412 -5.206 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.870 -13.621 -4.883 1.00 0.00 C ATOM 1370 C ALA A 89 -6.883 -14.754 -4.595 1.00 0.00 C ATOM 1371 O ALA A 89 -7.121 -15.900 -4.973 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.826 -13.956 -6.029 1.00 0.00 C ATOM 0 H ALA A 89 -7.087 -12.192 -6.201 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.474 -13.475 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.380 -14.863 -5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.524 -13.131 -6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.256 -14.113 -6.945 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.797 -14.395 -3.927 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.772 -15.368 -3.584 1.00 0.00 C ATOM 1380 C GLN A 90 -4.504 -15.348 -2.078 1.00 0.00 C ATOM 1381 O GLN A 90 -4.684 -16.357 -1.399 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.487 -15.113 -4.373 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.617 -15.620 -5.811 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.715 -14.454 -6.797 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -2.849 -13.598 -6.875 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -4.816 -14.468 -7.543 1.00 0.00 N ATOM 0 H GLN A 90 -5.604 -13.444 -3.614 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.135 -16.359 -3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.265 -14.046 -4.378 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.650 -15.610 -3.883 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.756 -16.241 -6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.501 -16.251 -5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.501 -15.215 -7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.975 -13.732 -8.231 1.00 0.00 H new ATOM 1395 N GLY A 91 -4.081 -14.187 -1.601 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.786 -14.022 -0.187 1.00 0.00 C ATOM 1397 C GLY A 91 -2.969 -15.202 0.343 1.00 0.00 C ATOM 1398 O GLY A 91 -3.486 -16.033 1.089 1.00 0.00 O ATOM 0 H GLY A 91 -3.935 -13.351 -2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.235 -13.095 -0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.716 -13.937 0.375 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.709 -15.237 -0.060 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.815 -16.302 0.365 1.00 0.00 C ATOM 1404 C ASP A 92 0.435 -15.689 1.000 1.00 0.00 C ATOM 1405 O ASP A 92 1.152 -14.927 0.355 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.372 -17.157 -0.823 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.750 -18.637 -0.732 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -0.372 -19.257 0.286 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -1.408 -19.114 -1.680 1.00 0.00 O ATOM 0 H ASP A 92 -1.284 -14.545 -0.677 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.351 -16.928 1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.807 -16.742 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.711 -17.080 -0.923 1.00 0.00 H new ATOM 1414 N ARG A 93 0.657 -16.046 2.257 1.00 0.00 N ATOM 1415 CA ARG A 93 1.808 -15.541 2.986 1.00 0.00 C ATOM 1416 C ARG A 93 3.098 -15.854 2.224 1.00 0.00 C ATOM 1417 O ARG A 93 4.097 -15.152 2.374 1.00 0.00 O ATOM 1418 CB ARG A 93 1.887 -16.157 4.383 1.00 0.00 C ATOM 1419 CG ARG A 93 2.138 -17.664 4.305 1.00 0.00 C ATOM 1420 CD ARG A 93 3.481 -18.031 4.941 1.00 0.00 C ATOM 1421 NE ARG A 93 3.765 -19.468 4.729 1.00 0.00 N ATOM 1422 CZ ARG A 93 4.993 -20.004 4.764 1.00 0.00 C ATOM 1423 NH1 ARG A 93 6.057 -19.224 5.003 1.00 0.00 N ATOM 1424 NH2 ARG A 93 5.157 -21.318 4.561 1.00 0.00 N ATOM 0 H ARG A 93 0.059 -16.679 2.789 1.00 0.00 H new ATOM 0 HA ARG A 93 1.692 -14.462 3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.687 -15.680 4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.958 -15.967 4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.334 -18.197 4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.125 -17.985 3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.276 -17.426 4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.460 -17.809 6.008 1.00 0.00 H new ATOM 0 HE ARG A 93 2.977 -20.089 4.545 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.932 -18.224 5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.992 -19.631 5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.347 -21.911 4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.092 -21.725 4.588 1.00 0.00 H new ATOM 1438 N ALA A 94 3.034 -16.907 1.424 1.00 0.00 N ATOM 1439 CA ALA A 94 4.183 -17.322 0.638 1.00 0.00 C ATOM 1440 C ALA A 94 4.589 -16.185 -0.303 1.00 0.00 C ATOM 1441 O ALA A 94 5.762 -15.825 -0.379 1.00 0.00 O ATOM 1442 CB ALA A 94 3.851 -18.610 -0.115 1.00 0.00 C ATOM 0 H ALA A 94 2.203 -17.486 1.303 1.00 0.00 H new ATOM 0 HA ALA A 94 5.033 -17.535 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.714 -18.920 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.599 -19.394 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.003 -18.436 -0.778 1.00 0.00 H new ATOM 1448 N LEU A 95 3.594 -15.651 -0.997 1.00 0.00 N ATOM 1449 CA LEU A 95 3.833 -14.563 -1.930 1.00 0.00 C ATOM 1450 C LEU A 95 4.255 -13.314 -1.154 1.00 0.00 C ATOM 1451 O LEU A 95 5.085 -12.538 -1.625 1.00 0.00 O ATOM 1452 CB LEU A 95 2.609 -14.346 -2.823 1.00 0.00 C ATOM 1453 CG LEU A 95 2.472 -15.298 -4.014 1.00 0.00 C ATOM 1454 CD1 LEU A 95 1.069 -15.908 -4.069 1.00 0.00 C ATOM 1455 CD2 LEU A 95 2.844 -14.598 -5.323 1.00 0.00 C ATOM 0 H LEU A 95 2.621 -15.951 -0.932 1.00 0.00 H new ATOM 0 HA LEU A 95 4.653 -14.812 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.714 -14.435 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.636 -13.324 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 95 3.176 -16.119 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.998 -16.580 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.878 -16.466 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.330 -15.113 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.738 -15.297 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.183 -13.745 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.876 -14.252 -5.270 1.00 0.00 H new ATOM 1467 N VAL A 96 3.665 -13.160 0.023 1.00 0.00 N ATOM 1468 CA VAL A 96 3.970 -12.019 0.869 1.00 0.00 C ATOM 1469 C VAL A 96 5.454 -12.047 1.240 1.00 0.00 C ATOM 1470 O VAL A 96 6.143 -11.033 1.135 1.00 0.00 O ATOM 1471 CB VAL A 96 3.049 -12.012 2.091 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.346 -10.815 2.995 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.579 -12.028 1.668 1.00 0.00 C ATOM 0 H VAL A 96 2.978 -13.807 0.410 1.00 0.00 H new ATOM 0 HA VAL A 96 3.786 -11.087 0.334 1.00 0.00 H new ATOM 0 HB VAL A 96 3.244 -12.919 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.677 -10.834 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.380 -10.865 3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.193 -9.891 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.945 -12.023 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.365 -11.147 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.378 -12.926 1.084 1.00 0.00 H new ATOM 1483 N GLN A 97 5.903 -13.219 1.665 1.00 0.00 N ATOM 1484 CA GLN A 97 7.293 -13.392 2.053 1.00 0.00 C ATOM 1485 C GLN A 97 8.194 -13.380 0.816 1.00 0.00 C ATOM 1486 O GLN A 97 9.355 -12.983 0.893 1.00 0.00 O ATOM 1487 CB GLN A 97 7.482 -14.680 2.856 1.00 0.00 C ATOM 1488 CG GLN A 97 8.462 -14.468 4.012 1.00 0.00 C ATOM 1489 CD GLN A 97 7.956 -15.140 5.290 1.00 0.00 C ATOM 1490 OE1 GLN A 97 8.542 -16.081 5.800 1.00 0.00 O ATOM 1491 NE2 GLN A 97 6.840 -14.606 5.776 1.00 0.00 N ATOM 0 H GLN A 97 5.329 -14.058 1.749 1.00 0.00 H new ATOM 0 HA GLN A 97 7.578 -12.558 2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.521 -15.013 3.246 1.00 0.00 H new ATOM 0 HB3 GLN A 97 7.852 -15.470 2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 97 9.438 -14.874 3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.598 -13.401 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 97 6.401 -13.819 5.298 1.00 0.00 H new ATOM 0 HE22 GLN A 97 6.422 -14.983 6.627 1.00 0.00 H new ATOM 1500 N LYS A 98 7.624 -13.819 -0.297 1.00 0.00 N ATOM 1501 CA LYS A 98 8.361 -13.864 -1.547 1.00 0.00 C ATOM 1502 C LYS A 98 8.782 -12.446 -1.937 1.00 0.00 C ATOM 1503 O LYS A 98 9.966 -12.179 -2.140 1.00 0.00 O ATOM 1504 CB LYS A 98 7.544 -14.581 -2.625 1.00 0.00 C ATOM 1505 CG LYS A 98 8.445 -15.068 -3.763 1.00 0.00 C ATOM 1506 CD LYS A 98 8.065 -16.485 -4.194 1.00 0.00 C ATOM 1507 CE LYS A 98 7.337 -16.472 -5.540 1.00 0.00 C ATOM 1508 NZ LYS A 98 7.872 -17.527 -6.429 1.00 0.00 N ATOM 0 H LYS A 98 6.660 -14.147 -0.358 1.00 0.00 H new ATOM 0 HA LYS A 98 9.274 -14.448 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.018 -15.428 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.785 -13.906 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.362 -14.391 -4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.486 -15.049 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.962 -17.099 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.428 -16.941 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.269 -16.627 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.452 -15.497 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.367 -17.504 -7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.886 -17.362 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.740 -18.457 -5.983 1.00 0.00 H new ATOM 1522 N ALA A 99 7.790 -11.573 -2.031 1.00 0.00 N ATOM 1523 CA ALA A 99 8.043 -10.189 -2.393 1.00 0.00 C ATOM 1524 C ALA A 99 8.676 -9.463 -1.204 1.00 0.00 C ATOM 1525 O ALA A 99 9.678 -8.766 -1.360 1.00 0.00 O ATOM 1526 CB ALA A 99 6.737 -9.533 -2.848 1.00 0.00 C ATOM 0 H ALA A 99 6.809 -11.797 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 99 8.744 -10.132 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.927 -8.495 -3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.343 -10.068 -3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.010 -9.569 -2.037 1.00 0.00 H new ATOM 1532 N ALA A 100 8.066 -9.650 -0.043 1.00 0.00 N ATOM 1533 CA ALA A 100 8.558 -9.023 1.171 1.00 0.00 C ATOM 1534 C ALA A 100 10.038 -9.364 1.353 1.00 0.00 C ATOM 1535 O ALA A 100 10.785 -8.600 1.961 1.00 0.00 O ATOM 1536 CB ALA A 100 7.705 -9.472 2.360 1.00 0.00 C ATOM 0 H ALA A 100 7.235 -10.227 0.082 1.00 0.00 H new ATOM 0 HA ALA A 100 8.476 -7.938 1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.074 -9.001 3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.668 -9.179 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.764 -10.556 2.462 1.00 0.00 H new ATOM 1542 N ALA A 101 10.418 -10.515 0.815 1.00 0.00 N ATOM 1543 CA ALA A 101 11.795 -10.967 0.911 1.00 0.00 C ATOM 1544 C ALA A 101 12.538 -10.604 -0.377 1.00 0.00 C ATOM 1545 O ALA A 101 13.765 -10.538 -0.393 1.00 0.00 O ATOM 1546 CB ALA A 101 11.821 -12.470 1.195 1.00 0.00 C ATOM 0 H ALA A 101 9.796 -11.147 0.312 1.00 0.00 H new ATOM 0 HA ALA A 101 12.305 -10.470 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.854 -12.809 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.307 -12.672 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.320 -13.002 0.386 1.00 0.00 H new ATOM 1552 N LEU A 102 11.761 -10.378 -1.426 1.00 0.00 N ATOM 1553 CA LEU A 102 12.329 -10.023 -2.716 1.00 0.00 C ATOM 1554 C LEU A 102 12.999 -8.652 -2.612 1.00 0.00 C ATOM 1555 O LEU A 102 13.877 -8.324 -3.410 1.00 0.00 O ATOM 1556 CB LEU A 102 11.265 -10.106 -3.811 1.00 0.00 C ATOM 1557 CG LEU A 102 11.765 -9.935 -5.247 1.00 0.00 C ATOM 1558 CD1 LEU A 102 12.154 -11.283 -5.857 1.00 0.00 C ATOM 1559 CD2 LEU A 102 10.734 -9.195 -6.102 1.00 0.00 C ATOM 0 H LEU A 102 10.743 -10.434 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 102 13.102 -10.736 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.767 -11.072 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.512 -9.343 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 102 12.665 -9.321 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.506 -11.133 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.948 -11.736 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.286 -11.942 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.114 -9.087 -7.118 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.803 -9.762 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.549 -8.209 -5.677 1.00 0.00 H new ATOM 1571 N GLY A 103 12.560 -7.887 -1.624 1.00 0.00 N ATOM 1572 CA GLY A 103 13.107 -6.558 -1.406 1.00 0.00 C ATOM 1573 C GLY A 103 12.029 -5.597 -0.902 1.00 0.00 C ATOM 1574 O GLY A 103 12.340 -4.552 -0.334 1.00 0.00 O ATOM 0 H GLY A 103 11.832 -8.162 -0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.920 -6.610 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.532 -6.179 -2.336 1.00 0.00 H new ATOM 1578 N ALA A 104 10.782 -5.985 -1.128 1.00 0.00 N ATOM 1579 CA ALA A 104 9.656 -5.172 -0.703 1.00 0.00 C ATOM 1580 C ALA A 104 9.859 -4.747 0.753 1.00 0.00 C ATOM 1581 O ALA A 104 10.551 -5.426 1.510 1.00 0.00 O ATOM 1582 CB ALA A 104 8.356 -5.953 -0.908 1.00 0.00 C ATOM 0 H ALA A 104 10.527 -6.852 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 104 9.589 -4.265 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.511 -5.343 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.245 -6.204 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.385 -6.869 -0.318 1.00 0.00 H new ATOM 1588 N ASN A 105 9.243 -3.627 1.100 1.00 0.00 N ATOM 1589 CA ASN A 105 9.347 -3.104 2.452 1.00 0.00 C ATOM 1590 C ASN A 105 8.285 -3.765 3.332 1.00 0.00 C ATOM 1591 O ASN A 105 8.563 -4.141 4.470 1.00 0.00 O ATOM 1592 CB ASN A 105 9.110 -1.593 2.477 1.00 0.00 C ATOM 1593 CG ASN A 105 9.414 -1.014 3.860 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.547 -0.981 4.312 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.342 -0.560 4.504 1.00 0.00 N ATOM 0 H ASN A 105 8.670 -3.067 0.469 1.00 0.00 H new ATOM 0 HA ASN A 105 10.350 -3.317 2.821 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.740 -1.110 1.730 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.076 -1.379 2.208 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.440 -0.154 5.434 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.422 -0.618 4.067 1.00 0.00 H new ATOM 1602 N ASN A 106 7.090 -3.886 2.774 1.00 0.00 N ATOM 1603 CA ASN A 106 5.985 -4.494 3.495 1.00 0.00 C ATOM 1604 C ASN A 106 4.815 -4.715 2.533 1.00 0.00 C ATOM 1605 O ASN A 106 4.378 -3.784 1.859 1.00 0.00 O ATOM 1606 CB ASN A 106 5.501 -3.588 4.629 1.00 0.00 C ATOM 1607 CG ASN A 106 5.698 -4.260 5.989 1.00 0.00 C ATOM 1608 OD1 ASN A 106 4.852 -4.991 6.478 1.00 0.00 O ATOM 1609 ND2 ASN A 106 6.859 -3.973 6.572 1.00 0.00 N ATOM 0 H ASN A 106 6.863 -3.573 1.830 1.00 0.00 H new ATOM 0 HA ASN A 106 6.334 -5.438 3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.046 -2.644 4.603 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.447 -3.351 4.486 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.085 -4.373 7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.523 -3.353 6.108 1.00 0.00 H new ATOM 1616 N VAL A 107 4.341 -5.951 2.504 1.00 0.00 N ATOM 1617 CA VAL A 107 3.230 -6.306 1.636 1.00 0.00 C ATOM 1618 C VAL A 107 2.075 -6.839 2.486 1.00 0.00 C ATOM 1619 O VAL A 107 2.190 -7.898 3.102 1.00 0.00 O ATOM 1620 CB VAL A 107 3.694 -7.299 0.569 1.00 0.00 C ATOM 1621 CG1 VAL A 107 4.014 -8.661 1.190 1.00 0.00 C ATOM 1622 CG2 VAL A 107 2.654 -7.435 -0.544 1.00 0.00 C ATOM 0 H VAL A 107 4.705 -6.720 3.067 1.00 0.00 H new ATOM 0 HA VAL A 107 2.865 -5.427 1.105 1.00 0.00 H new ATOM 0 HB VAL A 107 4.610 -6.909 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.341 -9.349 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.807 -8.547 1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.122 -9.059 1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.009 -8.147 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.714 -7.790 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.496 -6.465 -1.015 1.00 0.00 H new ATOM 1632 N LEU A 108 0.988 -6.081 2.494 1.00 0.00 N ATOM 1633 CA LEU A 108 -0.186 -6.464 3.259 1.00 0.00 C ATOM 1634 C LEU A 108 -1.392 -6.559 2.321 1.00 0.00 C ATOM 1635 O LEU A 108 -1.438 -5.885 1.294 1.00 0.00 O ATOM 1636 CB LEU A 108 -0.395 -5.507 4.435 1.00 0.00 C ATOM 1637 CG LEU A 108 0.641 -5.587 5.557 1.00 0.00 C ATOM 1638 CD1 LEU A 108 0.865 -7.036 5.995 1.00 0.00 C ATOM 1639 CD2 LEU A 108 1.948 -4.905 5.147 1.00 0.00 C ATOM 0 H LEU A 108 0.896 -5.203 1.983 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.047 -7.450 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.407 -4.487 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.379 -5.698 4.862 1.00 0.00 H new ATOM 0 HG LEU A 108 0.252 -5.046 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.606 -7.064 6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.074 -7.456 6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.222 -7.621 5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.667 -4.976 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.353 -5.396 4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.756 -3.856 4.923 1.00 0.00 H new ATOM 1651 N ALA A 109 -2.337 -7.402 2.709 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.540 -7.593 1.916 1.00 0.00 C ATOM 1653 C ALA A 109 -4.708 -6.868 2.585 1.00 0.00 C ATOM 1654 O ALA A 109 -4.717 -6.689 3.802 1.00 0.00 O ATOM 1655 CB ALA A 109 -3.805 -9.090 1.744 1.00 0.00 C ATOM 0 H ALA A 109 -2.295 -7.960 3.561 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.415 -7.167 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.707 -9.234 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.959 -9.553 1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.938 -9.551 2.723 1.00 0.00 H new ATOM 1661 N LYS A 110 -5.665 -6.469 1.761 1.00 0.00 N ATOM 1662 CA LYS A 110 -6.836 -5.767 2.258 1.00 0.00 C ATOM 1663 C LYS A 110 -8.080 -6.626 2.022 1.00 0.00 C ATOM 1664 O LYS A 110 -8.863 -6.355 1.114 1.00 0.00 O ATOM 1665 CB LYS A 110 -6.928 -4.371 1.639 1.00 0.00 C ATOM 1666 CG LYS A 110 -6.972 -4.451 0.111 1.00 0.00 C ATOM 1667 CD LYS A 110 -7.818 -3.318 -0.473 1.00 0.00 C ATOM 1668 CE LYS A 110 -9.109 -3.860 -1.091 1.00 0.00 C ATOM 1669 NZ LYS A 110 -9.140 -3.591 -2.546 1.00 0.00 N ATOM 0 H LYS A 110 -5.654 -6.618 0.752 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.756 -5.609 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.821 -3.864 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.071 -3.774 1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.959 -4.397 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.385 -5.412 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.059 -2.599 0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.244 -2.784 -1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.182 -4.933 -0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.971 -3.397 -0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.565 -4.401 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.706 -2.738 -2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.171 -3.444 -2.893 1.00 0.00 H new ATOM 1683 N PRO A 111 -8.227 -7.672 2.879 1.00 0.00 N ATOM 1684 CA PRO A 111 -9.361 -8.573 2.773 1.00 0.00 C ATOM 1685 C PRO A 111 -10.635 -7.915 3.304 1.00 0.00 C ATOM 1686 O PRO A 111 -10.570 -6.979 4.099 1.00 0.00 O ATOM 1687 CB PRO A 111 -8.958 -9.809 3.561 1.00 0.00 C ATOM 1688 CG PRO A 111 -7.814 -9.373 4.461 1.00 0.00 C ATOM 1689 CD PRO A 111 -7.319 -8.023 3.967 1.00 0.00 C ATOM 0 HA PRO A 111 -9.595 -8.834 1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.794 -10.188 4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -8.646 -10.613 2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -8.149 -9.301 5.496 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -7.008 -10.107 4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.345 -7.277 4.761 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -6.288 -8.082 3.619 1.00 0.00 H new ATOM 1697 N PHE A 112 -11.767 -8.430 2.843 1.00 0.00 N ATOM 1698 CA PHE A 112 -13.055 -7.904 3.261 1.00 0.00 C ATOM 1699 C PHE A 112 -13.306 -8.185 4.745 1.00 0.00 C ATOM 1700 O PHE A 112 -14.269 -7.682 5.321 1.00 0.00 O ATOM 1701 CB PHE A 112 -14.122 -8.619 2.431 1.00 0.00 C ATOM 1702 CG PHE A 112 -15.295 -7.726 2.024 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -16.196 -7.319 2.958 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -15.438 -7.340 0.727 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -17.285 -6.490 2.579 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -16.527 -6.511 0.349 1.00 0.00 C ATOM 1707 CZ PHE A 112 -17.427 -6.103 1.283 1.00 0.00 C ATOM 0 H PHE A 112 -11.818 -9.207 2.184 1.00 0.00 H new ATOM 0 HA PHE A 112 -13.082 -6.824 3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -13.658 -9.024 1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -14.504 -9.466 3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -16.083 -7.626 3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -14.723 -7.664 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -18.001 -6.167 3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -16.640 -6.205 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 112 -18.255 -5.472 0.996 1.00 0.00 H new ATOM 1717 N THR A 113 -12.423 -8.989 5.319 1.00 0.00 N ATOM 1718 CA THR A 113 -12.536 -9.343 6.724 1.00 0.00 C ATOM 1719 C THR A 113 -11.739 -8.363 7.587 1.00 0.00 C ATOM 1720 O THR A 113 -10.638 -7.960 7.219 1.00 0.00 O ATOM 1721 CB THR A 113 -12.088 -10.797 6.883 1.00 0.00 C ATOM 1722 OG1 THR A 113 -12.274 -11.361 5.587 1.00 0.00 O ATOM 1723 CG2 THR A 113 -13.028 -11.606 7.779 1.00 0.00 C ATOM 0 H THR A 113 -11.626 -9.405 4.837 1.00 0.00 H new ATOM 0 HA THR A 113 -13.567 -9.266 7.069 1.00 0.00 H new ATOM 0 HB THR A 113 -11.080 -10.822 7.298 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.006 -12.304 5.599 1.00 0.00 H new ATOM 0 HG21 THR A 113 -12.664 -12.630 7.858 1.00 0.00 H new ATOM 0 HG22 THR A 113 -13.062 -11.156 8.771 1.00 0.00 H new ATOM 0 HG23 THR A 113 -14.029 -11.609 7.347 1.00 0.00 H new ATOM 1731 N ILE A 114 -12.327 -8.010 8.721 1.00 0.00 N ATOM 1732 CA ILE A 114 -11.685 -7.086 9.640 1.00 0.00 C ATOM 1733 C ILE A 114 -10.552 -7.806 10.373 1.00 0.00 C ATOM 1734 O ILE A 114 -9.581 -7.178 10.792 1.00 0.00 O ATOM 1735 CB ILE A 114 -12.719 -6.454 10.575 1.00 0.00 C ATOM 1736 CG1 ILE A 114 -13.632 -7.522 11.184 1.00 0.00 C ATOM 1737 CG2 ILE A 114 -13.515 -5.363 9.856 1.00 0.00 C ATOM 1738 CD1 ILE A 114 -14.171 -7.072 12.543 1.00 0.00 C ATOM 0 H ILE A 114 -13.241 -8.347 9.024 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.235 -6.257 9.093 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.188 -5.976 11.398 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -14.463 -7.724 10.508 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -13.080 -8.455 11.298 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -14.242 -4.931 10.543 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -12.835 -4.584 9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -14.035 -5.796 9.002 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -14.816 -7.848 12.954 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -13.339 -6.894 13.224 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -14.743 -6.152 12.421 1.00 0.00 H new ATOM 1750 N GLU A 115 -10.714 -9.114 10.506 1.00 0.00 N ATOM 1751 CA GLU A 115 -9.716 -9.927 11.181 1.00 0.00 C ATOM 1752 C GLU A 115 -8.406 -9.923 10.392 1.00 0.00 C ATOM 1753 O GLU A 115 -7.340 -9.678 10.954 1.00 0.00 O ATOM 1754 CB GLU A 115 -10.225 -11.355 11.393 1.00 0.00 C ATOM 1755 CG GLU A 115 -10.012 -11.803 12.841 1.00 0.00 C ATOM 1756 CD GLU A 115 -9.254 -13.132 12.897 1.00 0.00 C ATOM 1757 OE1 GLU A 115 -8.279 -13.262 12.126 1.00 0.00 O ATOM 1758 OE2 GLU A 115 -9.668 -13.987 13.709 1.00 0.00 O ATOM 0 H GLU A 115 -11.521 -9.631 10.158 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.526 -9.494 12.163 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.285 -11.408 11.144 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.705 -12.034 10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.455 -11.039 13.384 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -10.976 -11.909 13.339 1.00 0.00 H new ATOM 1765 N LYS A 116 -8.528 -10.198 9.102 1.00 0.00 N ATOM 1766 CA LYS A 116 -7.366 -10.229 8.230 1.00 0.00 C ATOM 1767 C LYS A 116 -6.931 -8.797 7.917 1.00 0.00 C ATOM 1768 O LYS A 116 -5.737 -8.502 7.877 1.00 0.00 O ATOM 1769 CB LYS A 116 -7.653 -11.071 6.985 1.00 0.00 C ATOM 1770 CG LYS A 116 -7.597 -12.565 7.308 1.00 0.00 C ATOM 1771 CD LYS A 116 -6.354 -13.213 6.695 1.00 0.00 C ATOM 1772 CE LYS A 116 -5.897 -14.415 7.523 1.00 0.00 C ATOM 1773 NZ LYS A 116 -4.441 -14.628 7.368 1.00 0.00 N ATOM 0 H LYS A 116 -9.414 -10.401 8.639 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.528 -10.715 8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.636 -10.818 6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.926 -10.836 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.590 -12.707 8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.493 -13.057 6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -6.571 -13.531 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -5.549 -12.480 6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -6.137 -14.252 8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -6.437 -15.308 7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.148 -15.448 7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.221 -14.804 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.930 -13.782 7.691 1.00 0.00 H new ATOM 1787 N MET A 117 -7.922 -7.944 7.703 1.00 0.00 N ATOM 1788 CA MET A 117 -7.656 -6.549 7.395 1.00 0.00 C ATOM 1789 C MET A 117 -7.009 -5.838 8.586 1.00 0.00 C ATOM 1790 O MET A 117 -6.077 -5.055 8.415 1.00 0.00 O ATOM 1791 CB MET A 117 -8.965 -5.847 7.031 1.00 0.00 C ATOM 1792 CG MET A 117 -8.725 -4.372 6.706 1.00 0.00 C ATOM 1793 SD MET A 117 -8.940 -3.380 8.175 1.00 0.00 S ATOM 1794 CE MET A 117 -9.378 -1.817 7.433 1.00 0.00 C ATOM 0 H MET A 117 -8.911 -8.192 7.737 1.00 0.00 H new ATOM 0 HA MET A 117 -6.966 -6.508 6.552 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.421 -6.342 6.174 1.00 0.00 H new ATOM 0 HB3 MET A 117 -9.669 -5.931 7.859 1.00 0.00 H new ATOM 0 HG2 MET A 117 -7.718 -4.237 6.311 1.00 0.00 H new ATOM 0 HG3 MET A 117 -9.418 -4.044 5.931 1.00 0.00 H new ATOM 0 HE1 MET A 117 -8.920 -1.005 7.998 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.020 -1.790 6.404 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.462 -1.700 7.444 1.00 0.00 H new ATOM 1804 N LYS A 118 -7.530 -6.137 9.767 1.00 0.00 N ATOM 1805 CA LYS A 118 -7.016 -5.536 10.986 1.00 0.00 C ATOM 1806 C LYS A 118 -5.608 -6.069 11.256 1.00 0.00 C ATOM 1807 O LYS A 118 -4.760 -5.352 11.787 1.00 0.00 O ATOM 1808 CB LYS A 118 -7.990 -5.758 12.144 1.00 0.00 C ATOM 1809 CG LYS A 118 -7.494 -5.069 13.417 1.00 0.00 C ATOM 1810 CD LYS A 118 -8.618 -4.943 14.447 1.00 0.00 C ATOM 1811 CE LYS A 118 -8.780 -6.240 15.243 1.00 0.00 C ATOM 1812 NZ LYS A 118 -9.902 -6.124 16.201 1.00 0.00 N ATOM 0 H LYS A 118 -8.303 -6.788 9.906 1.00 0.00 H new ATOM 0 HA LYS A 118 -6.933 -4.455 10.873 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -8.973 -5.371 11.876 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.107 -6.826 12.326 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.667 -5.637 13.844 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -7.108 -4.080 13.172 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.402 -4.119 15.127 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -9.554 -4.703 13.942 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -8.960 -7.072 14.562 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -7.858 -6.462 15.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -9.998 -7.013 16.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -9.715 -5.343 16.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -10.783 -5.934 15.682 1.00 0.00 H new ATOM 1826 N ALA A 119 -5.401 -7.322 10.880 1.00 0.00 N ATOM 1827 CA ALA A 119 -4.110 -7.959 11.076 1.00 0.00 C ATOM 1828 C ALA A 119 -3.102 -7.376 10.082 1.00 0.00 C ATOM 1829 O ALA A 119 -1.990 -7.013 10.462 1.00 0.00 O ATOM 1830 CB ALA A 119 -4.260 -9.474 10.931 1.00 0.00 C ATOM 0 H ALA A 119 -6.106 -7.914 10.440 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.735 -7.763 12.080 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.291 -9.951 11.078 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.963 -9.843 11.677 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.633 -9.709 9.934 1.00 0.00 H new ATOM 1836 N ALA A 120 -3.529 -7.304 8.830 1.00 0.00 N ATOM 1837 CA ALA A 120 -2.678 -6.771 7.780 1.00 0.00 C ATOM 1838 C ALA A 120 -2.250 -5.349 8.148 1.00 0.00 C ATOM 1839 O ALA A 120 -1.062 -5.033 8.142 1.00 0.00 O ATOM 1840 CB ALA A 120 -3.420 -6.829 6.443 1.00 0.00 C ATOM 0 H ALA A 120 -4.452 -7.606 8.519 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.774 -7.371 7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.782 -6.429 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.675 -7.863 6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.332 -6.236 6.507 1.00 0.00 H new ATOM 1846 N ILE A 121 -3.243 -4.529 8.460 1.00 0.00 N ATOM 1847 CA ILE A 121 -2.984 -3.147 8.830 1.00 0.00 C ATOM 1848 C ILE A 121 -2.106 -3.117 10.082 1.00 0.00 C ATOM 1849 O ILE A 121 -1.147 -2.348 10.153 1.00 0.00 O ATOM 1850 CB ILE A 121 -4.298 -2.379 8.981 1.00 0.00 C ATOM 1851 CG1 ILE A 121 -5.253 -3.105 9.930 1.00 0.00 C ATOM 1852 CG2 ILE A 121 -4.937 -2.112 7.616 1.00 0.00 C ATOM 1853 CD1 ILE A 121 -5.308 -2.411 11.292 1.00 0.00 C ATOM 0 H ILE A 121 -4.228 -4.795 8.464 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.432 -2.636 8.041 1.00 0.00 H new ATOM 0 HB ILE A 121 -4.077 -1.410 9.428 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -6.251 -3.136 9.493 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.929 -4.138 10.057 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.870 -1.565 7.752 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.255 -1.521 7.004 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -5.142 -3.060 7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.994 -2.948 11.947 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.313 -2.404 11.737 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.656 -1.386 11.164 1.00 0.00 H new ATOM 1865 N GLU A 122 -2.464 -3.960 11.039 1.00 0.00 N ATOM 1866 CA GLU A 122 -1.720 -4.037 12.285 1.00 0.00 C ATOM 1867 C GLU A 122 -0.245 -4.329 12.005 1.00 0.00 C ATOM 1868 O GLU A 122 0.624 -3.966 12.797 1.00 0.00 O ATOM 1869 CB GLU A 122 -2.321 -5.093 13.217 1.00 0.00 C ATOM 1870 CG GLU A 122 -3.349 -4.469 14.161 1.00 0.00 C ATOM 1871 CD GLU A 122 -2.679 -3.949 15.436 1.00 0.00 C ATOM 1872 OE1 GLU A 122 -2.225 -4.804 16.226 1.00 0.00 O ATOM 1873 OE2 GLU A 122 -2.638 -2.710 15.590 1.00 0.00 O ATOM 0 H GLU A 122 -3.259 -4.596 10.977 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.790 -3.073 12.788 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.794 -5.878 12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.528 -5.565 13.797 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -3.862 -3.651 13.656 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.107 -5.209 14.420 1.00 0.00 H new ATOM 1880 N ALA A 123 -0.007 -4.980 10.876 1.00 0.00 N ATOM 1881 CA ALA A 123 1.348 -5.324 10.481 1.00 0.00 C ATOM 1882 C ALA A 123 1.958 -4.159 9.700 1.00 0.00 C ATOM 1883 O ALA A 123 3.104 -3.779 9.939 1.00 0.00 O ATOM 1884 CB ALA A 123 1.331 -6.623 9.673 1.00 0.00 C ATOM 0 H ALA A 123 -0.730 -5.278 10.222 1.00 0.00 H new ATOM 0 HA ALA A 123 1.972 -5.495 11.358 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.348 -6.881 9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.916 -7.426 10.283 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.717 -6.490 8.783 1.00 0.00 H new ATOM 1890 N VAL A 124 1.167 -3.625 8.782 1.00 0.00 N ATOM 1891 CA VAL A 124 1.615 -2.511 7.964 1.00 0.00 C ATOM 1892 C VAL A 124 1.973 -1.330 8.869 1.00 0.00 C ATOM 1893 O VAL A 124 2.869 -0.549 8.551 1.00 0.00 O ATOM 1894 CB VAL A 124 0.548 -2.164 6.923 1.00 0.00 C ATOM 1895 CG1 VAL A 124 -0.427 -1.116 7.465 1.00 0.00 C ATOM 1896 CG2 VAL A 124 1.189 -1.691 5.617 1.00 0.00 C ATOM 0 H VAL A 124 0.218 -3.943 8.586 1.00 0.00 H new ATOM 0 HA VAL A 124 2.515 -2.781 7.411 1.00 0.00 H new ATOM 0 HB VAL A 124 -0.018 -3.071 6.710 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -1.175 -0.887 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.921 -1.505 8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.120 -0.208 7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 124 0.409 -1.451 4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 124 1.792 -0.803 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.824 -2.481 5.216 1.00 0.00 H new ATOM 1906 N PHE A 125 1.255 -1.237 9.978 1.00 0.00 N ATOM 1907 CA PHE A 125 1.486 -0.166 10.931 1.00 0.00 C ATOM 1908 C PHE A 125 2.603 -0.533 11.910 1.00 0.00 C ATOM 1909 O PHE A 125 3.570 0.211 12.063 1.00 0.00 O ATOM 1910 CB PHE A 125 0.184 0.029 11.711 1.00 0.00 C ATOM 1911 CG PHE A 125 -0.634 1.244 11.267 1.00 0.00 C ATOM 1912 CD1 PHE A 125 -1.551 1.118 10.270 1.00 0.00 C ATOM 1913 CD2 PHE A 125 -0.441 2.449 11.867 1.00 0.00 C ATOM 1914 CE1 PHE A 125 -2.309 2.245 9.859 1.00 0.00 C ATOM 1915 CE2 PHE A 125 -1.200 3.576 11.454 1.00 0.00 C ATOM 1916 CZ PHE A 125 -2.118 3.450 10.458 1.00 0.00 C ATOM 0 H PHE A 125 0.513 -1.886 10.238 1.00 0.00 H new ATOM 0 HA PHE A 125 1.785 0.741 10.405 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -0.428 -0.866 11.605 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.419 0.130 12.770 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.702 0.161 9.792 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.289 2.549 12.657 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.039 2.145 9.069 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -1.048 4.533 11.931 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.695 4.307 10.143 1.00 0.00 H new ATOM 1926 N GLY A 126 2.432 -1.682 12.548 1.00 0.00 N ATOM 1927 CA GLY A 126 3.413 -2.158 13.508 1.00 0.00 C ATOM 1928 C GLY A 126 4.772 -2.382 12.839 1.00 0.00 C ATOM 1929 O GLY A 126 5.733 -1.669 13.123 1.00 0.00 O ATOM 0 H GLY A 126 1.629 -2.297 12.419 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.517 -1.434 14.317 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.066 -3.089 13.956 1.00 0.00 H new ATOM 1933 N ALA A 127 4.806 -3.374 11.961 1.00 0.00 N ATOM 1934 CA ALA A 127 6.030 -3.701 11.249 1.00 0.00 C ATOM 1935 C ALA A 127 7.232 -3.417 12.153 1.00 0.00 C ATOM 1936 O ALA A 127 8.028 -2.524 11.869 1.00 0.00 O ATOM 1937 CB ALA A 127 6.085 -2.911 9.940 1.00 0.00 C ATOM 0 H ALA A 127 4.006 -3.962 11.727 1.00 0.00 H new ATOM 0 HA ALA A 127 6.054 -4.760 10.992 1.00 0.00 H new ATOM 0 HB1 ALA A 127 7.003 -3.156 9.406 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.225 -3.170 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.066 -1.843 10.158 1.00 0.00 H new ATOM 1943 N LEU A 128 7.325 -4.194 13.222 1.00 0.00 N ATOM 1944 CA LEU A 128 8.416 -4.038 14.169 1.00 0.00 C ATOM 1945 C LEU A 128 9.534 -5.022 13.820 1.00 0.00 C ATOM 1946 O LEU A 128 9.290 -6.221 13.686 1.00 0.00 O ATOM 1947 CB LEU A 128 7.903 -4.172 15.604 1.00 0.00 C ATOM 1948 CG LEU A 128 8.596 -3.294 16.649 1.00 0.00 C ATOM 1949 CD1 LEU A 128 10.040 -3.745 16.873 1.00 0.00 C ATOM 1950 CD2 LEU A 128 8.510 -1.816 16.264 1.00 0.00 C ATOM 0 H LEU A 128 6.662 -4.934 13.453 1.00 0.00 H new ATOM 0 HA LEU A 128 8.841 -3.036 14.100 1.00 0.00 H new ATOM 0 HB2 LEU A 128 6.838 -3.939 15.611 1.00 0.00 H new ATOM 0 HB3 LEU A 128 8.004 -5.214 15.909 1.00 0.00 H new ATOM 0 HG LEU A 128 8.072 -3.412 17.598 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.509 -3.105 17.620 1.00 0.00 H new ATOM 0 HD12 LEU A 128 10.049 -4.777 17.223 1.00 0.00 H new ATOM 0 HD13 LEU A 128 10.593 -3.675 15.936 1.00 0.00 H new ATOM 0 HD21 LEU A 128 9.010 -1.213 17.022 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.995 -1.662 15.300 1.00 0.00 H new ATOM 0 HD23 LEU A 128 7.464 -1.518 16.195 1.00 0.00 H new ATOM 1962 N LYS A 129 10.735 -4.481 13.682 1.00 0.00 N ATOM 1963 CA LYS A 129 11.891 -5.297 13.351 1.00 0.00 C ATOM 1964 C LYS A 129 11.476 -6.381 12.354 1.00 0.00 C ATOM 1965 O LYS A 129 12.299 -7.192 11.935 1.00 0.00 O ATOM 1966 CB LYS A 129 12.540 -5.846 14.623 1.00 0.00 C ATOM 1967 CG LYS A 129 13.972 -5.332 14.774 1.00 0.00 C ATOM 1968 CD LYS A 129 14.871 -6.392 15.413 1.00 0.00 C ATOM 1969 CE LYS A 129 15.009 -6.159 16.919 1.00 0.00 C ATOM 1970 NZ LYS A 129 14.912 -7.441 17.652 1.00 0.00 N ATOM 0 H LYS A 129 10.933 -3.487 13.793 1.00 0.00 H new ATOM 0 HA LYS A 129 12.658 -4.694 12.865 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.951 -5.552 15.492 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.542 -6.936 14.593 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.368 -5.056 13.797 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.976 -4.430 15.386 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.456 -7.383 15.231 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.856 -6.368 14.946 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.965 -5.682 17.133 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.230 -5.478 17.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 15.008 -7.265 18.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 13.989 -7.881 17.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.671 -8.079 17.338 1.00 0.00 H new TER 1984 LYS A 129