USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 573 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 5 ASN : amide:sc= -2.71 K(o=-4.1,f=-17!) USER MOD Set 1.2: A 7 LYS NZ :NH3+ 138:sc= 0.737 (180deg=0) USER MOD Set 1.3: A 40 ASN : amide:sc= -2.14 K(o=-4.1,f=-30!) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.306 (180deg=-1.09) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0801 (180deg=-0.376) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 138:sc= -0.505! (180deg=-1.12!) USER MOD Single : A 13 LYS NZ :NH3+ 136:sc= 0.292 (180deg=-3.24!) USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -0.19 (180deg=-0.905) USER MOD Single : A 16 SER OG : rot 90:sc= 1.12 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.184 F(o=-1,f=-0.18) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.03 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00827 USER MOD Single : A 32 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.16) USER MOD Single : A 36 LYS NZ :NH3+ -115:sc= -1.58! (180deg=-3.84!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.235) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00414 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= 0.324 (180deg=-1.47!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.047) USER MOD Single : A 55 THR OG1 : rot -69:sc= 1.11 USER MOD Single : A 62 GLN : amide:sc= 0.635 K(o=0.63,f=-1.5) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.698 F(o=-2.6!,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.750 -2.471 8.888 1.00 0.00 N ATOM 2 CA MET A 1 -14.857 -3.227 8.019 1.00 0.00 C ATOM 3 C MET A 1 -14.487 -2.400 6.792 1.00 0.00 C ATOM 4 O MET A 1 -14.038 -2.939 5.777 1.00 0.00 O ATOM 5 CB MET A 1 -15.526 -4.542 7.592 1.00 0.00 C ATOM 6 CG MET A 1 -14.747 -5.736 8.147 1.00 0.00 C ATOM 7 SD MET A 1 -15.308 -6.075 9.832 1.00 0.00 S ATOM 8 CE MET A 1 -13.981 -5.206 10.705 1.00 0.00 C ATOM 0 H1 MET A 1 -16.128 -3.098 9.627 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.225 -1.691 9.331 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.536 -2.085 8.327 1.00 0.00 H new ATOM 0 HA MET A 1 -13.945 -3.459 8.569 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.554 -4.570 7.953 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.569 -4.600 6.504 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.900 -6.611 7.516 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.678 -5.523 8.142 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.908 -5.583 11.725 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.036 -5.372 10.188 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.199 -4.138 10.728 1.00 0.00 H new ATOM 18 N ILE A 2 -14.635 -1.092 6.909 1.00 0.00 N ATOM 19 CA ILE A 2 -14.292 -0.187 5.827 1.00 0.00 C ATOM 20 C ILE A 2 -12.789 -0.191 5.566 1.00 0.00 C ATOM 21 O ILE A 2 -12.348 -0.148 4.418 1.00 0.00 O ATOM 22 CB ILE A 2 -14.809 1.236 6.111 1.00 0.00 C ATOM 23 CG1 ILE A 2 -14.335 1.724 7.508 1.00 0.00 C ATOM 24 CG2 ILE A 2 -16.347 1.252 6.020 1.00 0.00 C ATOM 25 CD1 ILE A 2 -15.425 1.516 8.570 1.00 0.00 C ATOM 0 H ILE A 2 -14.992 -0.632 7.746 1.00 0.00 H new ATOM 0 HA ILE A 2 -14.785 -0.542 4.922 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.402 1.918 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.434 1.184 7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -14.071 2.780 7.457 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -16.713 2.259 6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -16.656 0.947 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -16.762 0.562 6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.063 1.867 9.536 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.317 2.077 8.291 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.670 0.456 8.638 1.00 0.00 H new ATOM 37 N ILE A 3 -12.010 -0.235 6.634 1.00 0.00 N ATOM 38 CA ILE A 3 -10.562 -0.231 6.519 1.00 0.00 C ATOM 39 C ILE A 3 -9.991 -1.650 6.581 1.00 0.00 C ATOM 40 O ILE A 3 -9.972 -2.281 7.645 1.00 0.00 O ATOM 41 CB ILE A 3 -9.942 0.674 7.618 1.00 0.00 C ATOM 42 CG1 ILE A 3 -8.421 0.477 7.698 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.563 0.367 8.981 1.00 0.00 C ATOM 44 CD1 ILE A 3 -7.775 0.855 6.373 1.00 0.00 C ATOM 0 H ILE A 3 -12.357 -0.274 7.592 1.00 0.00 H new ATOM 0 HA ILE A 3 -10.297 0.178 5.544 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.152 1.710 7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.009 1.089 8.500 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.193 -0.561 7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.116 1.011 9.738 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.637 0.547 8.940 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.379 -0.676 9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.697 0.712 6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.176 0.224 5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.989 1.900 6.149 1.00 0.00 H new ATOM 56 N ASN A 4 -9.409 -2.093 5.471 1.00 0.00 N ATOM 57 CA ASN A 4 -8.703 -3.365 5.443 1.00 0.00 C ATOM 58 C ASN A 4 -7.290 -3.134 5.909 1.00 0.00 C ATOM 59 O ASN A 4 -6.456 -2.628 5.156 1.00 0.00 O ATOM 60 CB ASN A 4 -8.680 -3.963 4.026 1.00 0.00 C ATOM 61 CG ASN A 4 -9.989 -4.677 3.718 1.00 0.00 C ATOM 62 OD1 ASN A 4 -10.100 -5.892 3.922 1.00 0.00 O ATOM 63 ND2 ASN A 4 -10.990 -4.006 3.242 1.00 0.00 N ATOM 0 H ASN A 4 -9.413 -1.591 4.583 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.219 -4.069 6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.512 -3.172 3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.849 -4.663 3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.869 -4.480 3.036 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.899 -3.004 3.074 1.00 0.00 H new ATOM 70 N ASN A 5 -7.039 -3.419 7.174 1.00 0.00 N ATOM 71 CA ASN A 5 -5.732 -3.162 7.747 1.00 0.00 C ATOM 72 C ASN A 5 -4.669 -3.980 7.042 1.00 0.00 C ATOM 73 O ASN A 5 -4.935 -5.087 6.561 1.00 0.00 O ATOM 74 CB ASN A 5 -5.711 -3.446 9.251 1.00 0.00 C ATOM 75 CG ASN A 5 -4.360 -3.028 9.821 1.00 0.00 C ATOM 76 OD1 ASN A 5 -3.367 -3.741 9.654 1.00 0.00 O ATOM 77 ND2 ASN A 5 -4.256 -1.911 10.472 1.00 0.00 N ATOM 0 H ASN A 5 -7.717 -3.825 7.819 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.514 -2.104 7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.513 -2.900 9.748 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.885 -4.506 9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.353 -1.621 10.847 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.078 -1.322 10.609 1.00 0.00 H new ATOM 84 N LEU A 6 -3.459 -3.455 7.019 1.00 0.00 N ATOM 85 CA LEU A 6 -2.358 -4.119 6.347 1.00 0.00 C ATOM 86 C LEU A 6 -2.094 -5.484 6.923 1.00 0.00 C ATOM 87 O LEU A 6 -1.713 -6.399 6.199 1.00 0.00 O ATOM 88 CB LEU A 6 -1.093 -3.257 6.352 1.00 0.00 C ATOM 89 CG LEU A 6 -1.215 -2.197 5.252 1.00 0.00 C ATOM 90 CD1 LEU A 6 -0.077 -1.186 5.367 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.131 -2.891 3.890 1.00 0.00 C ATOM 0 H LEU A 6 -3.213 -2.568 7.459 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.655 -4.258 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.965 -2.780 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.213 -3.877 6.183 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.166 -1.675 5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.174 -0.438 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.122 -0.697 6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.878 -1.700 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.217 -2.148 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.175 -3.406 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.942 -3.613 3.799 1.00 0.00 H new ATOM 103 N LYS A 7 -2.336 -5.648 8.206 1.00 0.00 N ATOM 104 CA LYS A 7 -2.157 -6.950 8.818 1.00 0.00 C ATOM 105 C LYS A 7 -2.921 -8.005 8.017 1.00 0.00 C ATOM 106 O LYS A 7 -2.361 -9.035 7.653 1.00 0.00 O ATOM 107 CB LYS A 7 -2.632 -6.923 10.277 1.00 0.00 C ATOM 108 CG LYS A 7 -4.160 -6.730 10.344 1.00 0.00 C ATOM 109 CD LYS A 7 -4.541 -6.080 11.679 1.00 0.00 C ATOM 110 CE LYS A 7 -4.214 -7.033 12.842 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.187 -6.412 13.718 1.00 0.00 N ATOM 0 H LYS A 7 -2.652 -4.912 8.837 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.098 -7.206 8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.355 -7.853 10.773 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.134 -6.115 10.813 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.494 -6.105 9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.663 -7.692 10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.000 -5.142 11.804 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.604 -5.838 11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.116 -7.246 13.416 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.850 -7.985 12.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.435 -6.577 14.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.258 -6.835 13.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.148 -5.389 13.536 1.00 0.00 H new ATOM 125 N LEU A 8 -4.164 -7.684 7.656 1.00 0.00 N ATOM 126 CA LEU A 8 -4.970 -8.550 6.796 1.00 0.00 C ATOM 127 C LEU A 8 -4.349 -8.648 5.410 1.00 0.00 C ATOM 128 O LEU A 8 -4.253 -9.731 4.823 1.00 0.00 O ATOM 129 CB LEU A 8 -6.393 -7.999 6.676 1.00 0.00 C ATOM 130 CG LEU A 8 -7.109 -8.108 8.027 1.00 0.00 C ATOM 131 CD1 LEU A 8 -8.451 -7.377 7.951 1.00 0.00 C ATOM 132 CD2 LEU A 8 -7.353 -9.583 8.365 1.00 0.00 C ATOM 0 H LEU A 8 -4.635 -6.828 7.947 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.003 -9.543 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.364 -6.958 6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.944 -8.553 5.916 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.489 -7.657 8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.962 -7.453 8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.280 -6.327 7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.068 -7.829 7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.862 -9.657 9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.972 -10.036 7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.399 -10.107 8.419 1.00 0.00 H new ATOM 144 N ILE A 9 -3.890 -7.513 4.914 1.00 0.00 N ATOM 145 CA ILE A 9 -3.271 -7.454 3.605 1.00 0.00 C ATOM 146 C ILE A 9 -2.028 -8.309 3.612 1.00 0.00 C ATOM 147 O ILE A 9 -1.768 -9.039 2.669 1.00 0.00 O ATOM 148 CB ILE A 9 -2.920 -6.003 3.227 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.170 -5.112 3.327 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.399 -5.963 1.788 1.00 0.00 C ATOM 151 CD1 ILE A 9 -5.258 -5.611 2.369 1.00 0.00 C ATOM 0 H ILE A 9 -3.935 -6.618 5.401 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.973 -7.830 2.861 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.157 -5.636 3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.547 -5.116 4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.910 -4.081 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.150 -4.936 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.508 -6.585 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.167 -6.339 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.136 -4.971 2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.883 -5.583 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.530 -6.634 2.628 1.00 0.00 H new ATOM 163 N ARG A 10 -1.265 -8.219 4.680 1.00 0.00 N ATOM 164 CA ARG A 10 -0.048 -8.993 4.803 1.00 0.00 C ATOM 165 C ARG A 10 -0.400 -10.472 4.672 1.00 0.00 C ATOM 166 O ARG A 10 0.237 -11.214 3.917 1.00 0.00 O ATOM 167 CB ARG A 10 0.552 -8.773 6.188 1.00 0.00 C ATOM 168 CG ARG A 10 1.998 -9.267 6.219 1.00 0.00 C ATOM 169 CD ARG A 10 2.440 -9.417 7.669 1.00 0.00 C ATOM 170 NE ARG A 10 1.828 -10.629 8.220 1.00 0.00 N ATOM 171 CZ ARG A 10 2.540 -11.722 8.504 1.00 0.00 C ATOM 172 NH1 ARG A 10 3.845 -11.662 8.525 1.00 0.00 N ATOM 173 NH2 ARG A 10 1.932 -12.829 8.808 1.00 0.00 N ATOM 0 H ARG A 10 -1.466 -7.616 5.478 1.00 0.00 H new ATOM 0 HA ARG A 10 0.661 -8.690 4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.516 -7.714 6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.037 -9.303 6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.081 -10.222 5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.647 -8.563 5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.526 -9.481 7.729 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.140 -8.544 8.249 1.00 0.00 H new ATOM 0 HE ARG A 10 0.823 -10.638 8.393 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.318 -10.781 8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.390 -12.496 8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.913 -12.862 8.829 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.474 -13.665 9.025 1.00 0.00 H new ATOM 187 N GLU A 11 -1.451 -10.882 5.382 1.00 0.00 N ATOM 188 CA GLU A 11 -1.918 -12.260 5.334 1.00 0.00 C ATOM 189 C GLU A 11 -2.428 -12.558 3.932 1.00 0.00 C ATOM 190 O GLU A 11 -2.063 -13.570 3.324 1.00 0.00 O ATOM 191 CB GLU A 11 -3.069 -12.448 6.331 1.00 0.00 C ATOM 192 CG GLU A 11 -2.589 -12.175 7.771 1.00 0.00 C ATOM 193 CD GLU A 11 -1.605 -13.224 8.239 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.960 -14.380 8.227 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.524 -12.856 8.641 1.00 0.00 O ATOM 0 H GLU A 11 -1.993 -10.275 5.997 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.099 -12.933 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.888 -11.774 6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.459 -13.463 6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.123 -11.191 7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.447 -12.155 8.443 1.00 0.00 H new ATOM 202 N LYS A 12 -3.200 -11.616 3.397 1.00 0.00 N ATOM 203 CA LYS A 12 -3.728 -11.705 2.040 1.00 0.00 C ATOM 204 C LYS A 12 -2.592 -11.720 1.040 1.00 0.00 C ATOM 205 O LYS A 12 -2.689 -12.337 -0.025 1.00 0.00 O ATOM 206 CB LYS A 12 -4.644 -10.509 1.752 1.00 0.00 C ATOM 207 CG LYS A 12 -5.302 -10.665 0.368 1.00 0.00 C ATOM 208 CD LYS A 12 -5.079 -9.388 -0.450 1.00 0.00 C ATOM 209 CE LYS A 12 -3.652 -9.380 -1.019 1.00 0.00 C ATOM 210 NZ LYS A 12 -3.383 -10.658 -1.746 1.00 0.00 N ATOM 0 H LYS A 12 -3.477 -10.769 3.893 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.300 -12.628 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.412 -10.436 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.069 -9.584 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.878 -11.523 -0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.369 -10.856 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.805 -9.333 -1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.236 -8.511 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.526 -8.534 -1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.931 -9.253 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.871 -10.454 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.807 -11.283 -1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.284 -11.127 -1.969 1.00 0.00 H new ATOM 224 N LYS A 13 -1.562 -10.950 1.331 1.00 0.00 N ATOM 225 CA LYS A 13 -0.427 -10.815 0.446 1.00 0.00 C ATOM 226 C LYS A 13 0.390 -12.098 0.426 1.00 0.00 C ATOM 227 O LYS A 13 1.253 -12.289 -0.443 1.00 0.00 O ATOM 228 CB LYS A 13 0.433 -9.604 0.852 1.00 0.00 C ATOM 229 CG LYS A 13 1.742 -9.598 0.070 1.00 0.00 C ATOM 230 CD LYS A 13 1.477 -9.502 -1.432 1.00 0.00 C ATOM 231 CE LYS A 13 2.730 -9.949 -2.166 1.00 0.00 C ATOM 232 NZ LYS A 13 3.019 -11.364 -1.799 1.00 0.00 N ATOM 0 H LYS A 13 -1.490 -10.401 2.188 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.791 -10.639 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.115 -8.681 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.641 -9.639 1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.358 -8.757 0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.305 -10.506 0.287 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.630 -10.130 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.220 -8.479 -1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.589 -9.859 -3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.572 -9.310 -1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.272 -11.900 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.811 -11.393 -1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.176 -11.788 -1.362 1.00 0.00 H new ATOM 246 N LYS A 14 0.080 -12.999 1.351 1.00 0.00 N ATOM 247 CA LYS A 14 0.729 -14.300 1.403 1.00 0.00 C ATOM 248 C LYS A 14 2.244 -14.133 1.429 1.00 0.00 C ATOM 249 O LYS A 14 2.940 -14.437 0.452 1.00 0.00 O ATOM 250 CB LYS A 14 0.296 -15.129 0.187 1.00 0.00 C ATOM 251 CG LYS A 14 -1.214 -15.403 0.275 1.00 0.00 C ATOM 252 CD LYS A 14 -1.680 -16.198 -0.951 1.00 0.00 C ATOM 253 CE LYS A 14 -3.181 -16.496 -0.829 1.00 0.00 C ATOM 254 NZ LYS A 14 -3.908 -15.251 -0.436 1.00 0.00 N ATOM 0 H LYS A 14 -0.620 -12.850 2.077 1.00 0.00 H new ATOM 0 HA LYS A 14 0.431 -14.820 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.528 -14.594 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.847 -16.069 0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.438 -15.960 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.759 -14.461 0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.484 -15.631 -1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.119 -17.129 -1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.566 -16.870 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.348 -17.277 -0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.901 -15.319 -0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.867 -15.136 0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.463 -14.430 -0.893 1.00 0.00 H new ATOM 268 N ILE A 15 2.741 -13.597 2.526 1.00 0.00 N ATOM 269 CA ILE A 15 4.157 -13.315 2.660 1.00 0.00 C ATOM 270 C ILE A 15 4.829 -14.407 3.483 1.00 0.00 C ATOM 271 O ILE A 15 4.506 -14.591 4.663 1.00 0.00 O ATOM 272 CB ILE A 15 4.340 -11.967 3.379 1.00 0.00 C ATOM 273 CG1 ILE A 15 3.607 -10.868 2.618 1.00 0.00 C ATOM 274 CG2 ILE A 15 5.826 -11.603 3.458 1.00 0.00 C ATOM 275 CD1 ILE A 15 3.665 -9.578 3.434 1.00 0.00 C ATOM 0 H ILE A 15 2.182 -13.347 3.342 1.00 0.00 H new ATOM 0 HA ILE A 15 4.608 -13.277 1.669 1.00 0.00 H new ATOM 0 HB ILE A 15 3.933 -12.058 4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.065 -10.717 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.571 -11.157 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.940 -10.647 3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.361 -12.376 4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.236 -11.527 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.143 -8.785 2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.188 -9.737 4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.705 -9.290 3.586 1.00 0.00 H new ATOM 287 N SER A 16 5.812 -15.055 2.902 1.00 0.00 N ATOM 288 CA SER A 16 6.602 -16.032 3.622 1.00 0.00 C ATOM 289 C SER A 16 7.519 -15.280 4.581 1.00 0.00 C ATOM 290 O SER A 16 7.852 -14.115 4.327 1.00 0.00 O ATOM 291 CB SER A 16 7.435 -16.857 2.634 1.00 0.00 C ATOM 292 OG SER A 16 6.638 -17.173 1.489 1.00 0.00 O ATOM 0 H SER A 16 6.086 -14.924 1.928 1.00 0.00 H new ATOM 0 HA SER A 16 5.955 -16.712 4.176 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.320 -16.297 2.332 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.784 -17.772 3.112 1.00 0.00 H new ATOM 0 HG SER A 16 6.731 -16.463 0.820 1.00 0.00 H new ATOM 298 N GLN A 17 7.961 -15.924 5.647 1.00 0.00 N ATOM 299 CA GLN A 17 8.857 -15.253 6.580 1.00 0.00 C ATOM 300 C GLN A 17 10.054 -14.711 5.823 1.00 0.00 C ATOM 301 O GLN A 17 10.468 -13.572 6.031 1.00 0.00 O ATOM 302 CB GLN A 17 9.309 -16.203 7.701 1.00 0.00 C ATOM 303 CG GLN A 17 10.224 -15.456 8.688 1.00 0.00 C ATOM 304 CD GLN A 17 9.462 -14.336 9.389 1.00 0.00 C ATOM 305 OE1 GLN A 17 9.834 -13.101 9.223 1.00 0.00 O flip ATOM 306 NE2 GLN A 17 8.491 -14.592 10.104 1.00 0.00 N flip ATOM 0 H GLN A 17 7.724 -16.886 5.887 1.00 0.00 H new ATOM 0 HA GLN A 17 8.321 -14.428 7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.440 -16.598 8.226 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.839 -17.055 7.275 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.616 -16.154 9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.080 -15.042 8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.196 -15.559 10.237 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.982 -13.836 10.563 1.00 0.00 H new ATOM 315 N SER A 18 10.542 -15.499 4.885 1.00 0.00 N ATOM 316 CA SER A 18 11.640 -15.076 4.038 1.00 0.00 C ATOM 317 C SER A 18 11.246 -13.822 3.257 1.00 0.00 C ATOM 318 O SER A 18 12.009 -12.860 3.189 1.00 0.00 O ATOM 319 CB SER A 18 11.989 -16.199 3.067 1.00 0.00 C ATOM 320 OG SER A 18 12.183 -17.408 3.800 1.00 0.00 O ATOM 0 H SER A 18 10.194 -16.438 4.690 1.00 0.00 H new ATOM 0 HA SER A 18 12.506 -14.847 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.190 -16.326 2.337 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.892 -15.948 2.511 1.00 0.00 H new ATOM 0 HG SER A 18 12.406 -18.134 3.181 1.00 0.00 H new ATOM 326 N GLU A 19 10.014 -13.802 2.748 1.00 0.00 N ATOM 327 CA GLU A 19 9.509 -12.631 2.041 1.00 0.00 C ATOM 328 C GLU A 19 9.394 -11.478 3.015 1.00 0.00 C ATOM 329 O GLU A 19 9.802 -10.354 2.726 1.00 0.00 O ATOM 330 CB GLU A 19 8.127 -12.914 1.443 1.00 0.00 C ATOM 331 CG GLU A 19 8.228 -13.953 0.328 1.00 0.00 C ATOM 332 CD GLU A 19 6.850 -14.226 -0.219 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.173 -15.062 0.332 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.476 -13.582 -1.170 1.00 0.00 O ATOM 0 H GLU A 19 9.354 -14.577 2.812 1.00 0.00 H new ATOM 0 HA GLU A 19 10.199 -12.384 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.454 -13.272 2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.698 -11.992 1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.882 -13.591 -0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.670 -14.873 0.710 1.00 0.00 H new ATOM 341 N LEU A 20 8.889 -11.779 4.200 1.00 0.00 N ATOM 342 CA LEU A 20 8.769 -10.776 5.234 1.00 0.00 C ATOM 343 C LEU A 20 10.161 -10.290 5.594 1.00 0.00 C ATOM 344 O LEU A 20 10.418 -9.084 5.659 1.00 0.00 O ATOM 345 CB LEU A 20 8.045 -11.345 6.463 1.00 0.00 C ATOM 346 CG LEU A 20 7.872 -10.252 7.529 1.00 0.00 C ATOM 347 CD1 LEU A 20 7.067 -9.078 6.950 1.00 0.00 C ATOM 348 CD2 LEU A 20 7.130 -10.830 8.740 1.00 0.00 C ATOM 0 H LEU A 20 8.558 -12.707 4.465 1.00 0.00 H new ATOM 0 HA LEU A 20 8.174 -9.938 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.070 -11.736 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.613 -12.179 6.875 1.00 0.00 H new ATOM 0 HG LEU A 20 8.855 -9.896 7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.949 -8.307 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.596 -8.662 6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.085 -9.431 6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.008 -10.054 9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.150 -11.191 8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.704 -11.657 9.158 1.00 0.00 H new ATOM 360 N ALA A 21 11.088 -11.235 5.698 1.00 0.00 N ATOM 361 CA ALA A 21 12.483 -10.908 5.919 1.00 0.00 C ATOM 362 C ALA A 21 12.999 -10.062 4.767 1.00 0.00 C ATOM 363 O ALA A 21 13.715 -9.090 4.981 1.00 0.00 O ATOM 364 CB ALA A 21 13.326 -12.180 6.050 1.00 0.00 C ATOM 0 H ALA A 21 10.894 -12.234 5.632 1.00 0.00 H new ATOM 0 HA ALA A 21 12.564 -10.345 6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.369 -11.910 6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.966 -12.770 6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.244 -12.767 5.135 1.00 0.00 H new ATOM 370 N ALA A 22 12.587 -10.408 3.549 1.00 0.00 N ATOM 371 CA ALA A 22 12.963 -9.640 2.365 1.00 0.00 C ATOM 372 C ALA A 22 12.411 -8.231 2.457 1.00 0.00 C ATOM 373 O ALA A 22 13.114 -7.256 2.182 1.00 0.00 O ATOM 374 CB ALA A 22 12.446 -10.314 1.090 1.00 0.00 C ATOM 0 H ALA A 22 11.993 -11.215 3.357 1.00 0.00 H new ATOM 0 HA ALA A 22 14.051 -9.599 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.739 -9.723 0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.872 -11.314 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.359 -10.385 1.131 1.00 0.00 H new ATOM 380 N LEU A 23 11.175 -8.119 2.912 1.00 0.00 N ATOM 381 CA LEU A 23 10.573 -6.815 3.141 1.00 0.00 C ATOM 382 C LEU A 23 11.351 -6.098 4.231 1.00 0.00 C ATOM 383 O LEU A 23 11.642 -4.908 4.133 1.00 0.00 O ATOM 384 CB LEU A 23 9.105 -6.969 3.554 1.00 0.00 C ATOM 385 CG LEU A 23 8.279 -7.500 2.369 1.00 0.00 C ATOM 386 CD1 LEU A 23 6.877 -7.869 2.849 1.00 0.00 C ATOM 387 CD2 LEU A 23 8.171 -6.426 1.277 1.00 0.00 C ATOM 0 H LEU A 23 10.570 -8.911 3.130 1.00 0.00 H new ATOM 0 HA LEU A 23 10.608 -6.232 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.026 -7.653 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.708 -6.009 3.883 1.00 0.00 H new ATOM 0 HG LEU A 23 8.774 -8.381 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.292 -8.245 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.946 -8.639 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.390 -6.986 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.585 -6.812 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.683 -5.541 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.169 -6.161 0.927 1.00 0.00 H new ATOM 399 N LEU A 24 11.724 -6.860 5.242 1.00 0.00 N ATOM 400 CA LEU A 24 12.502 -6.362 6.365 1.00 0.00 C ATOM 401 C LEU A 24 14.003 -6.466 6.092 1.00 0.00 C ATOM 402 O LEU A 24 14.815 -6.390 7.010 1.00 0.00 O ATOM 403 CB LEU A 24 12.115 -7.114 7.652 1.00 0.00 C ATOM 404 CG LEU A 24 10.689 -6.706 8.085 1.00 0.00 C ATOM 405 CD1 LEU A 24 10.179 -7.633 9.191 1.00 0.00 C ATOM 406 CD2 LEU A 24 10.689 -5.259 8.599 1.00 0.00 C ATOM 0 H LEU A 24 11.494 -7.852 5.309 1.00 0.00 H new ATOM 0 HA LEU A 24 12.272 -5.305 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.160 -8.190 7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.826 -6.885 8.446 1.00 0.00 H new ATOM 0 HG LEU A 24 10.032 -6.787 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.173 -7.331 9.484 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.158 -8.659 8.824 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.842 -7.570 10.054 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.680 -4.980 8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.360 -5.177 9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.027 -4.591 7.807 1.00 0.00 H new ATOM 418 N GLU A 25 14.365 -6.673 4.825 1.00 0.00 N ATOM 419 CA GLU A 25 15.772 -6.799 4.430 1.00 0.00 C ATOM 420 C GLU A 25 16.522 -5.501 4.715 1.00 0.00 C ATOM 421 O GLU A 25 17.759 -5.481 4.762 1.00 0.00 O ATOM 422 CB GLU A 25 15.898 -7.198 2.947 1.00 0.00 C ATOM 423 CG GLU A 25 17.352 -7.603 2.611 1.00 0.00 C ATOM 424 CD GLU A 25 17.738 -8.914 3.299 1.00 0.00 C ATOM 425 OE1 GLU A 25 16.879 -9.560 3.861 1.00 0.00 O ATOM 426 OE2 GLU A 25 18.897 -9.248 3.266 1.00 0.00 O ATOM 0 H GLU A 25 13.704 -6.757 4.053 1.00 0.00 H new ATOM 0 HA GLU A 25 16.224 -7.593 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 25 15.225 -8.027 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 25 15.592 -6.365 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.462 -7.710 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.033 -6.812 2.923 1.00 0.00 H new ATOM 433 N VAL A 26 15.772 -4.441 4.956 1.00 0.00 N ATOM 434 CA VAL A 26 16.341 -3.153 5.318 1.00 0.00 C ATOM 435 C VAL A 26 16.162 -2.961 6.813 1.00 0.00 C ATOM 436 O VAL A 26 15.401 -3.701 7.439 1.00 0.00 O ATOM 437 CB VAL A 26 15.643 -2.019 4.545 1.00 0.00 C ATOM 438 CG1 VAL A 26 15.974 -2.132 3.053 1.00 0.00 C ATOM 439 CG2 VAL A 26 14.121 -2.111 4.730 1.00 0.00 C ATOM 0 H VAL A 26 14.753 -4.447 4.907 1.00 0.00 H new ATOM 0 HA VAL A 26 17.400 -3.128 5.061 1.00 0.00 H new ATOM 0 HB VAL A 26 15.996 -1.063 4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.479 -1.328 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.052 -2.055 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.627 -3.094 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.638 -1.304 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.766 -3.070 4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.877 -2.024 5.789 1.00 0.00 H new ATOM 449 N SER A 27 16.955 -2.082 7.409 1.00 0.00 N ATOM 450 CA SER A 27 16.958 -1.957 8.858 1.00 0.00 C ATOM 451 C SER A 27 15.533 -2.020 9.406 1.00 0.00 C ATOM 452 O SER A 27 14.685 -1.177 9.081 1.00 0.00 O ATOM 453 CB SER A 27 17.640 -0.653 9.282 1.00 0.00 C ATOM 454 OG SER A 27 18.863 -0.496 8.552 1.00 0.00 O ATOM 0 H SER A 27 17.594 -1.455 6.921 1.00 0.00 H new ATOM 0 HA SER A 27 17.522 -2.792 9.274 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.980 0.194 9.093 1.00 0.00 H new ATOM 0 HB3 SER A 27 17.842 -0.667 10.353 1.00 0.00 H new ATOM 0 HG SER A 27 19.300 0.339 8.821 1.00 0.00 H new ATOM 460 N ARG A 28 15.278 -3.017 10.237 1.00 0.00 N ATOM 461 CA ARG A 28 13.959 -3.213 10.811 1.00 0.00 C ATOM 462 C ARG A 28 13.716 -2.186 11.896 1.00 0.00 C ATOM 463 O ARG A 28 12.589 -1.991 12.347 1.00 0.00 O ATOM 464 CB ARG A 28 13.805 -4.620 11.383 1.00 0.00 C ATOM 465 CG ARG A 28 14.038 -5.654 10.282 1.00 0.00 C ATOM 466 CD ARG A 28 13.763 -7.053 10.849 1.00 0.00 C ATOM 467 NE ARG A 28 12.330 -7.197 11.135 1.00 0.00 N ATOM 468 CZ ARG A 28 11.861 -7.886 12.186 1.00 0.00 C ATOM 469 NH1 ARG A 28 12.683 -8.438 13.029 1.00 0.00 N ATOM 470 NH2 ARG A 28 10.577 -8.008 12.360 1.00 0.00 N ATOM 0 H ARG A 28 15.971 -3.706 10.530 1.00 0.00 H new ATOM 0 HA ARG A 28 13.222 -3.090 10.018 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.517 -4.773 12.195 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.808 -4.744 11.806 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.383 -5.456 9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.063 -5.590 9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.080 -7.814 10.136 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.343 -7.208 11.759 1.00 0.00 H new ATOM 0 HE ARG A 28 11.661 -6.753 10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.690 -8.348 12.893 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.321 -8.961 13.826 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.930 -7.580 11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.218 -8.531 13.158 1.00 0.00 H new ATOM 484 N GLN A 29 14.797 -1.600 12.370 1.00 0.00 N ATOM 485 CA GLN A 29 14.757 -0.660 13.477 1.00 0.00 C ATOM 486 C GLN A 29 13.573 0.286 13.337 1.00 0.00 C ATOM 487 O GLN A 29 12.951 0.672 14.333 1.00 0.00 O ATOM 488 CB GLN A 29 16.062 0.141 13.504 1.00 0.00 C ATOM 489 CG GLN A 29 17.226 -0.800 13.837 1.00 0.00 C ATOM 490 CD GLN A 29 18.549 -0.057 13.737 1.00 0.00 C ATOM 491 OE1 GLN A 29 18.925 0.393 12.653 1.00 0.00 O ATOM 492 NE2 GLN A 29 19.279 0.099 14.794 1.00 0.00 N ATOM 0 H GLN A 29 15.733 -1.762 11.998 1.00 0.00 H new ATOM 0 HA GLN A 29 14.644 -1.214 14.409 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.230 0.618 12.538 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.999 0.937 14.246 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.102 -1.202 14.843 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.225 -1.648 13.152 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.966 -0.274 15.690 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.168 0.595 14.731 1.00 0.00 H new ATOM 501 N THR A 30 13.245 0.643 12.105 1.00 0.00 N ATOM 502 CA THR A 30 12.121 1.521 11.863 1.00 0.00 C ATOM 503 C THR A 30 10.830 0.860 12.348 1.00 0.00 C ATOM 504 O THR A 30 10.123 1.411 13.193 1.00 0.00 O ATOM 505 CB THR A 30 12.018 1.803 10.361 1.00 0.00 C ATOM 506 OG1 THR A 30 13.309 2.098 9.847 1.00 0.00 O ATOM 507 CG2 THR A 30 11.085 2.993 10.108 1.00 0.00 C ATOM 0 H THR A 30 13.739 0.339 11.266 1.00 0.00 H new ATOM 0 HA THR A 30 12.268 2.455 12.405 1.00 0.00 H new ATOM 0 HB THR A 30 11.613 0.923 9.862 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.245 2.277 8.886 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.020 3.183 9.037 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.092 2.766 10.497 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.478 3.877 10.610 1.00 0.00 H new ATOM 515 N ILE A 31 10.599 -0.370 11.899 1.00 0.00 N ATOM 516 CA ILE A 31 9.452 -1.144 12.348 1.00 0.00 C ATOM 517 C ILE A 31 9.642 -1.595 13.785 1.00 0.00 C ATOM 518 O ILE A 31 8.700 -1.627 14.564 1.00 0.00 O ATOM 519 CB ILE A 31 9.163 -2.331 11.397 1.00 0.00 C ATOM 520 CG1 ILE A 31 7.821 -2.977 11.766 1.00 0.00 C ATOM 521 CG2 ILE A 31 10.273 -3.384 11.483 1.00 0.00 C ATOM 522 CD1 ILE A 31 7.410 -3.975 10.679 1.00 0.00 C ATOM 0 H ILE A 31 11.193 -0.851 11.224 1.00 0.00 H new ATOM 0 HA ILE A 31 8.573 -0.501 12.319 1.00 0.00 H new ATOM 0 HB ILE A 31 9.122 -1.949 10.377 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.903 -3.485 12.727 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.055 -2.209 11.876 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.047 -4.207 10.806 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.225 -2.933 11.201 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.338 -3.761 12.504 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.457 -4.431 10.946 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.310 -3.455 9.726 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.171 -4.750 10.590 1.00 0.00 H new ATOM 534 N ASN A 32 10.876 -1.946 14.127 1.00 0.00 N ATOM 535 CA ASN A 32 11.195 -2.431 15.469 1.00 0.00 C ATOM 536 C ASN A 32 10.570 -1.532 16.525 1.00 0.00 C ATOM 537 O ASN A 32 10.274 -1.968 17.637 1.00 0.00 O ATOM 538 CB ASN A 32 12.708 -2.528 15.679 1.00 0.00 C ATOM 539 CG ASN A 32 13.028 -3.693 16.609 1.00 0.00 C ATOM 540 OD1 ASN A 32 12.708 -4.840 16.294 1.00 0.00 O ATOM 541 ND2 ASN A 32 13.638 -3.477 17.732 1.00 0.00 N ATOM 0 H ASN A 32 11.675 -1.905 13.494 1.00 0.00 H new ATOM 0 HA ASN A 32 10.776 -3.432 15.570 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.209 -2.668 14.721 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.086 -1.598 16.104 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.853 -4.256 18.354 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.903 -2.528 17.994 1.00 0.00 H new ATOM 548 N GLY A 33 10.304 -0.288 16.150 1.00 0.00 N ATOM 549 CA GLY A 33 9.622 0.646 17.036 1.00 0.00 C ATOM 550 C GLY A 33 8.268 0.083 17.471 1.00 0.00 C ATOM 551 O GLY A 33 7.646 0.594 18.411 1.00 0.00 O ATOM 0 H GLY A 33 10.550 0.098 15.238 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.240 0.841 17.913 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.479 1.600 16.528 1.00 0.00 H new ATOM 555 N ILE A 34 7.859 -1.027 16.851 1.00 0.00 N ATOM 556 CA ILE A 34 6.615 -1.692 17.217 1.00 0.00 C ATOM 557 C ILE A 34 6.571 -1.973 18.703 1.00 0.00 C ATOM 558 O ILE A 34 5.496 -2.098 19.275 1.00 0.00 O ATOM 559 CB ILE A 34 6.415 -2.993 16.417 1.00 0.00 C ATOM 560 CG1 ILE A 34 7.635 -3.913 16.587 1.00 0.00 C ATOM 561 CG2 ILE A 34 6.197 -2.683 14.933 1.00 0.00 C ATOM 562 CD1 ILE A 34 7.370 -5.247 15.887 1.00 0.00 C ATOM 0 H ILE A 34 8.373 -1.480 16.095 1.00 0.00 H new ATOM 0 HA ILE A 34 5.797 -1.016 16.968 1.00 0.00 H new ATOM 0 HB ILE A 34 5.530 -3.501 16.801 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.522 -3.440 16.166 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.834 -4.079 17.646 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.058 -3.614 14.383 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.312 -2.058 14.818 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.067 -2.156 14.540 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.235 -5.899 16.007 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.493 -5.722 16.328 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.193 -5.072 14.826 1.00 0.00 H new ATOM 574 N GLU A 35 7.736 -2.003 19.347 1.00 0.00 N ATOM 575 CA GLU A 35 7.762 -2.197 20.788 1.00 0.00 C ATOM 576 C GLU A 35 6.842 -1.172 21.427 1.00 0.00 C ATOM 577 O GLU A 35 5.973 -1.512 22.228 1.00 0.00 O ATOM 578 CB GLU A 35 9.166 -1.937 21.339 1.00 0.00 C ATOM 579 CG GLU A 35 10.166 -2.987 20.849 1.00 0.00 C ATOM 580 CD GLU A 35 11.559 -2.648 21.362 1.00 0.00 C ATOM 581 OE1 GLU A 35 11.700 -1.660 22.055 1.00 0.00 O ATOM 582 OE2 GLU A 35 12.465 -3.376 21.055 1.00 0.00 O ATOM 0 H GLU A 35 8.649 -1.898 18.905 1.00 0.00 H new ATOM 0 HA GLU A 35 7.455 -3.220 21.008 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.500 -0.945 21.034 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.137 -1.942 22.429 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.870 -3.976 21.199 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.168 -3.021 19.760 1.00 0.00 H new ATOM 589 N LYS A 36 7.033 0.090 21.051 1.00 0.00 N ATOM 590 CA LYS A 36 6.200 1.162 21.569 1.00 0.00 C ATOM 591 C LYS A 36 5.127 1.516 20.553 1.00 0.00 C ATOM 592 O LYS A 36 4.123 2.150 20.883 1.00 0.00 O ATOM 593 CB LYS A 36 7.055 2.409 21.861 1.00 0.00 C ATOM 594 CG LYS A 36 8.502 2.012 22.234 1.00 0.00 C ATOM 595 CD LYS A 36 8.510 1.067 23.451 1.00 0.00 C ATOM 596 CE LYS A 36 9.958 0.799 23.909 1.00 0.00 C ATOM 597 NZ LYS A 36 10.842 0.536 22.736 1.00 0.00 N ATOM 0 H LYS A 36 7.753 0.390 20.394 1.00 0.00 H new ATOM 0 HA LYS A 36 5.732 0.824 22.494 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.066 3.060 20.987 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.608 2.978 22.676 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.981 1.524 21.385 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.084 2.906 22.458 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.939 1.509 24.267 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.023 0.127 23.193 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.333 1.657 24.468 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.979 -0.056 24.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.191 -0.443 22.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.303 0.675 21.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.648 1.192 22.755 1.00 0.00 H new ATOM 611 N ASN A 37 5.356 1.113 19.311 1.00 0.00 N ATOM 612 CA ASN A 37 4.436 1.392 18.214 1.00 0.00 C ATOM 613 C ASN A 37 3.463 0.253 18.019 1.00 0.00 C ATOM 614 O ASN A 37 2.921 0.084 16.928 1.00 0.00 O ATOM 615 CB ASN A 37 5.189 1.673 16.898 1.00 0.00 C ATOM 616 CG ASN A 37 5.778 3.077 16.908 1.00 0.00 C ATOM 617 OD1 ASN A 37 6.958 3.253 17.213 1.00 0.00 O ATOM 618 ND2 ASN A 37 5.035 4.091 16.576 1.00 0.00 N ATOM 0 H ASN A 37 6.183 0.584 19.034 1.00 0.00 H new ATOM 0 HA ASN A 37 3.878 2.288 18.485 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.984 0.940 16.764 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.509 1.564 16.053 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.430 5.032 16.568 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.058 3.946 16.323 1.00 0.00 H new ATOM 625 N LYS A 38 3.347 -0.612 19.025 1.00 0.00 N ATOM 626 CA LYS A 38 2.538 -1.835 18.921 1.00 0.00 C ATOM 627 C LYS A 38 1.062 -1.556 18.581 1.00 0.00 C ATOM 628 O LYS A 38 0.195 -2.410 18.792 1.00 0.00 O ATOM 629 CB LYS A 38 2.654 -2.695 20.187 1.00 0.00 C ATOM 630 CG LYS A 38 2.514 -4.174 19.800 1.00 0.00 C ATOM 631 CD LYS A 38 3.857 -4.690 19.255 1.00 0.00 C ATOM 632 CE LYS A 38 3.645 -6.012 18.516 1.00 0.00 C ATOM 633 NZ LYS A 38 3.026 -7.001 19.429 1.00 0.00 N ATOM 0 H LYS A 38 3.804 -0.491 19.929 1.00 0.00 H new ATOM 0 HA LYS A 38 2.951 -2.397 18.083 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.614 -2.522 20.673 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.880 -2.418 20.903 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.211 -4.761 20.667 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.734 -4.292 19.047 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.294 -3.953 18.581 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.562 -4.830 20.074 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.006 -5.855 17.647 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.598 -6.390 18.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.144 -7.957 19.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.487 -6.950 20.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.013 -6.792 19.532 1.00 0.00 H new ATOM 647 N TYR A 39 0.819 -0.461 17.905 1.00 0.00 N ATOM 648 CA TYR A 39 -0.477 -0.175 17.339 1.00 0.00 C ATOM 649 C TYR A 39 -0.628 -1.079 16.134 1.00 0.00 C ATOM 650 O TYR A 39 0.314 -1.808 15.791 1.00 0.00 O ATOM 651 CB TYR A 39 -0.544 1.295 16.876 1.00 0.00 C ATOM 652 CG TYR A 39 0.054 2.202 17.937 1.00 0.00 C ATOM 653 CD1 TYR A 39 -0.622 2.420 19.141 1.00 0.00 C ATOM 654 CD2 TYR A 39 1.290 2.820 17.711 1.00 0.00 C ATOM 655 CE1 TYR A 39 -0.066 3.250 20.118 1.00 0.00 C ATOM 656 CE2 TYR A 39 1.847 3.648 18.692 1.00 0.00 C ATOM 657 CZ TYR A 39 1.167 3.864 19.894 1.00 0.00 C ATOM 658 OH TYR A 39 1.718 4.675 20.865 1.00 0.00 O ATOM 0 H TYR A 39 1.518 0.261 17.731 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.265 -0.339 18.074 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.003 1.414 15.937 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.579 1.578 16.685 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.576 1.946 19.317 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.813 2.658 16.780 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.591 3.416 21.047 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.803 4.120 18.520 1.00 0.00 H new ATOM 0 HH TYR A 39 2.579 5.023 20.551 1.00 0.00 H new ATOM 668 N ASN A 40 -1.742 -0.998 15.441 1.00 0.00 N ATOM 669 CA ASN A 40 -1.857 -1.744 14.198 1.00 0.00 C ATOM 670 C ASN A 40 -0.788 -1.213 13.247 1.00 0.00 C ATOM 671 O ASN A 40 -0.211 -0.155 13.510 1.00 0.00 O ATOM 672 CB ASN A 40 -3.259 -1.596 13.590 1.00 0.00 C ATOM 673 CG ASN A 40 -3.917 -2.966 13.408 1.00 0.00 C ATOM 674 OD1 ASN A 40 -3.254 -4.006 13.502 1.00 0.00 O ATOM 675 ND2 ASN A 40 -5.179 -3.036 13.145 1.00 0.00 N ATOM 0 H ASN A 40 -2.558 -0.444 15.701 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.708 -2.808 14.381 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.877 -0.973 14.236 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.192 -1.089 12.628 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.623 -3.945 13.016 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.732 -2.182 13.066 1.00 0.00 H new ATOM 682 N PRO A 41 -0.413 -1.952 12.233 1.00 0.00 N ATOM 683 CA PRO A 41 0.736 -1.518 11.381 1.00 0.00 C ATOM 684 C PRO A 41 0.564 -0.077 10.914 1.00 0.00 C ATOM 685 O PRO A 41 -0.301 0.223 10.084 1.00 0.00 O ATOM 686 CB PRO A 41 0.697 -2.483 10.192 1.00 0.00 C ATOM 687 CG PRO A 41 -0.025 -3.686 10.700 1.00 0.00 C ATOM 688 CD PRO A 41 -1.050 -3.167 11.700 1.00 0.00 C ATOM 0 HA PRO A 41 1.685 -1.544 11.917 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.179 -2.041 9.341 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.702 -2.738 9.856 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.511 -4.223 9.885 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.665 -4.384 11.174 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.004 -2.945 11.221 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.250 -3.895 12.486 1.00 0.00 H new ATOM 696 N SER A 42 1.396 0.806 11.454 1.00 0.00 N ATOM 697 CA SER A 42 1.338 2.214 11.120 1.00 0.00 C ATOM 698 C SER A 42 1.829 2.433 9.701 1.00 0.00 C ATOM 699 O SER A 42 2.795 1.797 9.268 1.00 0.00 O ATOM 700 CB SER A 42 2.193 3.010 12.103 1.00 0.00 C ATOM 701 OG SER A 42 1.962 2.516 13.426 1.00 0.00 O ATOM 0 H SER A 42 2.121 0.564 12.129 1.00 0.00 H new ATOM 0 HA SER A 42 0.305 2.557 11.188 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.248 2.917 11.845 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.943 4.069 12.048 1.00 0.00 H new ATOM 0 HG SER A 42 2.509 3.021 14.064 1.00 0.00 H new ATOM 707 N LEU A 43 1.195 3.344 8.990 1.00 0.00 N ATOM 708 CA LEU A 43 1.563 3.609 7.611 1.00 0.00 C ATOM 709 C LEU A 43 2.995 4.107 7.501 1.00 0.00 C ATOM 710 O LEU A 43 3.735 3.670 6.622 1.00 0.00 O ATOM 711 CB LEU A 43 0.580 4.574 6.942 1.00 0.00 C ATOM 712 CG LEU A 43 -0.650 3.786 6.451 1.00 0.00 C ATOM 713 CD1 LEU A 43 -1.525 3.382 7.638 1.00 0.00 C ATOM 714 CD2 LEU A 43 -1.464 4.648 5.490 1.00 0.00 C ATOM 0 H LEU A 43 0.425 3.912 9.342 1.00 0.00 H new ATOM 0 HA LEU A 43 1.506 2.663 7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.274 5.347 7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.061 5.079 6.104 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.310 2.888 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.391 2.826 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.948 2.756 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.860 4.276 8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.333 4.087 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.795 5.551 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.846 4.922 4.635 1.00 0.00 H new ATOM 726 N GLN A 44 3.416 4.960 8.431 1.00 0.00 N ATOM 727 CA GLN A 44 4.795 5.448 8.407 1.00 0.00 C ATOM 728 C GLN A 44 5.746 4.263 8.376 1.00 0.00 C ATOM 729 O GLN A 44 6.696 4.226 7.582 1.00 0.00 O ATOM 730 CB GLN A 44 5.090 6.299 9.657 1.00 0.00 C ATOM 731 CG GLN A 44 4.343 7.634 9.589 1.00 0.00 C ATOM 732 CD GLN A 44 4.547 8.409 10.892 1.00 0.00 C ATOM 733 OE1 GLN A 44 5.670 8.484 11.406 1.00 0.00 O ATOM 734 NE2 GLN A 44 3.534 8.985 11.465 1.00 0.00 N ATOM 0 H GLN A 44 2.841 5.321 9.192 1.00 0.00 H new ATOM 0 HA GLN A 44 4.933 6.065 7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.792 5.754 10.553 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.162 6.480 9.736 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.705 8.221 8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.280 7.458 9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.607 8.925 11.043 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.665 9.498 12.337 1.00 0.00 H new ATOM 743 N LEU A 45 5.462 3.269 9.202 1.00 0.00 N ATOM 744 CA LEU A 45 6.237 2.039 9.196 1.00 0.00 C ATOM 745 C LEU A 45 5.895 1.198 7.966 1.00 0.00 C ATOM 746 O LEU A 45 6.762 0.569 7.365 1.00 0.00 O ATOM 747 CB LEU A 45 5.948 1.222 10.460 1.00 0.00 C ATOM 748 CG LEU A 45 6.380 2.010 11.707 1.00 0.00 C ATOM 749 CD1 LEU A 45 6.061 1.200 12.966 1.00 0.00 C ATOM 750 CD2 LEU A 45 7.880 2.306 11.655 1.00 0.00 C ATOM 0 H LEU A 45 4.703 3.289 9.883 1.00 0.00 H new ATOM 0 HA LEU A 45 7.294 2.304 9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.885 0.990 10.517 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.480 0.272 10.418 1.00 0.00 H new ATOM 0 HG LEU A 45 5.834 2.953 11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.369 1.762 13.848 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.989 1.009 13.014 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.598 0.252 12.934 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.172 2.865 12.544 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.435 1.369 11.617 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.104 2.896 10.766 1.00 0.00 H new ATOM 762 N ALA A 46 4.599 1.108 7.680 1.00 0.00 N ATOM 763 CA ALA A 46 4.088 0.239 6.624 1.00 0.00 C ATOM 764 C ALA A 46 4.506 0.687 5.239 1.00 0.00 C ATOM 765 O ALA A 46 4.770 -0.139 4.375 1.00 0.00 O ATOM 766 CB ALA A 46 2.565 0.126 6.700 1.00 0.00 C ATOM 0 H ALA A 46 3.876 1.633 8.172 1.00 0.00 H new ATOM 0 HA ALA A 46 4.532 -0.742 6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.208 -0.527 5.903 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.279 -0.291 7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.121 1.115 6.586 1.00 0.00 H new ATOM 772 N LEU A 47 4.524 1.985 5.012 1.00 0.00 N ATOM 773 CA LEU A 47 4.814 2.511 3.681 1.00 0.00 C ATOM 774 C LEU A 47 6.182 2.085 3.221 1.00 0.00 C ATOM 775 O LEU A 47 6.376 1.743 2.057 1.00 0.00 O ATOM 776 CB LEU A 47 4.706 4.043 3.659 1.00 0.00 C ATOM 777 CG LEU A 47 3.233 4.463 3.774 1.00 0.00 C ATOM 778 CD1 LEU A 47 3.147 5.958 4.073 1.00 0.00 C ATOM 779 CD2 LEU A 47 2.530 4.196 2.440 1.00 0.00 C ATOM 0 H LEU A 47 4.344 2.695 5.722 1.00 0.00 H new ATOM 0 HA LEU A 47 4.072 2.101 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.280 4.469 4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.134 4.434 2.736 1.00 0.00 H new ATOM 0 HG LEU A 47 2.759 3.896 4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.101 6.253 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.658 6.171 5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.621 6.518 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.484 4.492 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.015 4.772 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.591 3.134 2.203 1.00 0.00 H new ATOM 791 N LYS A 48 7.124 2.094 4.132 1.00 0.00 N ATOM 792 CA LYS A 48 8.491 1.752 3.801 1.00 0.00 C ATOM 793 C LYS A 48 8.556 0.335 3.254 1.00 0.00 C ATOM 794 O LYS A 48 9.168 0.094 2.206 1.00 0.00 O ATOM 795 CB LYS A 48 9.352 1.884 5.053 1.00 0.00 C ATOM 796 CG LYS A 48 9.364 3.364 5.456 1.00 0.00 C ATOM 797 CD LYS A 48 10.160 3.577 6.740 1.00 0.00 C ATOM 798 CE LYS A 48 10.130 5.072 7.092 1.00 0.00 C ATOM 799 NZ LYS A 48 8.711 5.524 7.213 1.00 0.00 N ATOM 0 H LYS A 48 6.971 2.335 5.111 1.00 0.00 H new ATOM 0 HA LYS A 48 8.866 2.430 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.950 1.271 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.365 1.532 4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.798 3.959 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.341 3.714 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.733 2.988 7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.188 3.240 6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.660 5.247 8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.643 5.649 6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.659 6.335 7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.355 5.806 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.129 4.746 7.585 1.00 0.00 H new ATOM 813 N ILE A 49 7.819 -0.573 3.882 1.00 0.00 N ATOM 814 CA ILE A 49 7.702 -1.924 3.357 1.00 0.00 C ATOM 815 C ILE A 49 6.629 -2.004 2.268 1.00 0.00 C ATOM 816 O ILE A 49 6.697 -2.857 1.379 1.00 0.00 O ATOM 817 CB ILE A 49 7.446 -2.944 4.483 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.161 -2.587 5.239 1.00 0.00 C ATOM 819 CG2 ILE A 49 8.623 -2.936 5.464 1.00 0.00 C ATOM 820 CD1 ILE A 49 5.826 -3.701 6.234 1.00 0.00 C ATOM 0 H ILE A 49 7.301 -0.401 4.743 1.00 0.00 H new ATOM 0 HA ILE A 49 8.655 -2.184 2.896 1.00 0.00 H new ATOM 0 HB ILE A 49 7.340 -3.934 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.287 -1.641 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.339 -2.453 4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 49 8.439 -3.658 6.259 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.538 -3.203 4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.730 -1.941 5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.912 -3.446 6.771 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.682 -4.638 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.645 -3.813 6.944 1.00 0.00 H new ATOM 832 N ALA A 50 5.664 -1.083 2.315 1.00 0.00 N ATOM 833 CA ALA A 50 4.587 -1.042 1.325 1.00 0.00 C ATOM 834 C ALA A 50 5.143 -0.796 -0.057 1.00 0.00 C ATOM 835 O ALA A 50 4.645 -1.338 -1.035 1.00 0.00 O ATOM 836 CB ALA A 50 3.546 0.029 1.664 1.00 0.00 C ATOM 0 H ALA A 50 5.607 -0.356 3.028 1.00 0.00 H new ATOM 0 HA ALA A 50 4.093 -2.013 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.763 0.028 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.108 -0.185 2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.026 1.007 1.689 1.00 0.00 H new ATOM 842 N TYR A 51 6.186 0.014 -0.148 1.00 0.00 N ATOM 843 CA TYR A 51 6.787 0.251 -1.448 1.00 0.00 C ATOM 844 C TYR A 51 7.248 -1.077 -2.017 1.00 0.00 C ATOM 845 O TYR A 51 6.915 -1.430 -3.149 1.00 0.00 O ATOM 846 CB TYR A 51 7.989 1.199 -1.344 1.00 0.00 C ATOM 847 CG TYR A 51 7.519 2.623 -1.147 1.00 0.00 C ATOM 848 CD1 TYR A 51 6.958 3.328 -2.217 1.00 0.00 C ATOM 849 CD2 TYR A 51 7.643 3.236 0.101 1.00 0.00 C ATOM 850 CE1 TYR A 51 6.524 4.644 -2.034 1.00 0.00 C ATOM 851 CE2 TYR A 51 7.212 4.548 0.283 1.00 0.00 C ATOM 852 CZ TYR A 51 6.651 5.253 -0.782 1.00 0.00 C ATOM 853 OH TYR A 51 6.224 6.551 -0.596 1.00 0.00 O ATOM 0 H TYR A 51 6.621 0.503 0.634 1.00 0.00 H new ATOM 0 HA TYR A 51 6.044 0.715 -2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.625 0.900 -0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.594 1.130 -2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.860 2.856 -3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.074 2.691 0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.091 5.190 -2.859 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.312 5.020 1.249 1.00 0.00 H new ATOM 0 HH TYR A 51 6.385 6.818 0.333 1.00 0.00 H new ATOM 863 N TYR A 52 7.935 -1.854 -1.195 1.00 0.00 N ATOM 864 CA TYR A 52 8.367 -3.181 -1.602 1.00 0.00 C ATOM 865 C TYR A 52 7.171 -4.113 -1.753 1.00 0.00 C ATOM 866 O TYR A 52 7.157 -4.988 -2.620 1.00 0.00 O ATOM 867 CB TYR A 52 9.335 -3.782 -0.571 1.00 0.00 C ATOM 868 CG TYR A 52 10.494 -2.841 -0.321 1.00 0.00 C ATOM 869 CD1 TYR A 52 11.234 -2.325 -1.395 1.00 0.00 C ATOM 870 CD2 TYR A 52 10.825 -2.485 0.995 1.00 0.00 C ATOM 871 CE1 TYR A 52 12.298 -1.452 -1.151 1.00 0.00 C ATOM 872 CE2 TYR A 52 11.891 -1.615 1.235 1.00 0.00 C ATOM 873 CZ TYR A 52 12.626 -1.098 0.164 1.00 0.00 C ATOM 874 OH TYR A 52 13.667 -0.236 0.405 1.00 0.00 O ATOM 0 H TYR A 52 8.204 -1.591 -0.247 1.00 0.00 H new ATOM 0 HA TYR A 52 8.876 -3.080 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.807 -3.975 0.363 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.708 -4.741 -0.930 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.982 -2.602 -2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.256 -2.883 1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.867 -1.050 -1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.147 -1.342 2.248 1.00 0.00 H new ATOM 0 HH TYR A 52 13.759 -0.096 1.371 1.00 0.00 H new ATOM 884 N LEU A 53 6.244 -4.026 -0.809 1.00 0.00 N ATOM 885 CA LEU A 53 5.156 -4.991 -0.737 1.00 0.00 C ATOM 886 C LEU A 53 3.980 -4.560 -1.605 1.00 0.00 C ATOM 887 O LEU A 53 3.416 -3.481 -1.416 1.00 0.00 O ATOM 888 CB LEU A 53 4.691 -5.146 0.716 1.00 0.00 C ATOM 889 CG LEU A 53 3.694 -6.303 0.823 1.00 0.00 C ATOM 890 CD1 LEU A 53 4.419 -7.616 0.508 1.00 0.00 C ATOM 891 CD2 LEU A 53 3.126 -6.357 2.243 1.00 0.00 C ATOM 0 H LEU A 53 6.223 -3.304 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 53 5.527 -5.946 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.548 -5.332 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.227 -4.221 1.059 1.00 0.00 H new ATOM 0 HG LEU A 53 2.878 -6.155 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.717 -8.446 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.826 -7.574 -0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.231 -7.763 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.416 -7.181 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.938 -6.510 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.619 -5.419 2.468 1.00 0.00 H new ATOM 903 N ASN A 54 3.540 -5.455 -2.478 1.00 0.00 N ATOM 904 CA ASN A 54 2.389 -5.179 -3.331 1.00 0.00 C ATOM 905 C ASN A 54 1.160 -4.909 -2.476 1.00 0.00 C ATOM 906 O ASN A 54 0.576 -5.838 -1.912 1.00 0.00 O ATOM 907 CB ASN A 54 2.121 -6.369 -4.259 1.00 0.00 C ATOM 908 CG ASN A 54 1.023 -6.020 -5.248 1.00 0.00 C ATOM 909 OD1 ASN A 54 1.309 -5.685 -6.404 1.00 0.00 O ATOM 910 ND2 ASN A 54 -0.215 -6.075 -4.874 1.00 0.00 N ATOM 0 H ASN A 54 3.959 -6.375 -2.615 1.00 0.00 H new ATOM 0 HA ASN A 54 2.606 -4.298 -3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.032 -6.636 -4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.830 -7.240 -3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.958 -5.842 -5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.448 -6.352 -3.920 1.00 0.00 H new ATOM 917 N THR A 55 0.809 -3.635 -2.335 1.00 0.00 N ATOM 918 CA THR A 55 -0.312 -3.223 -1.495 1.00 0.00 C ATOM 919 C THR A 55 -0.858 -1.863 -1.962 1.00 0.00 C ATOM 920 O THR A 55 -0.091 -0.904 -2.104 1.00 0.00 O ATOM 921 CB THR A 55 0.168 -3.109 -0.035 1.00 0.00 C ATOM 922 OG1 THR A 55 1.497 -2.572 -0.011 1.00 0.00 O ATOM 923 CG2 THR A 55 0.170 -4.490 0.631 1.00 0.00 C ATOM 0 H THR A 55 1.290 -2.863 -2.796 1.00 0.00 H new ATOM 0 HA THR A 55 -1.107 -3.965 -1.570 1.00 0.00 H new ATOM 0 HB THR A 55 -0.509 -2.451 0.509 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.124 -3.233 -0.372 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.511 -4.396 1.662 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.839 -4.901 0.619 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.840 -5.156 0.086 1.00 0.00 H new ATOM 931 N PRO A 56 -2.153 -1.745 -2.185 1.00 0.00 N ATOM 932 CA PRO A 56 -2.727 -0.440 -2.593 1.00 0.00 C ATOM 933 C PRO A 56 -2.939 0.458 -1.378 1.00 0.00 C ATOM 934 O PRO A 56 -3.859 0.242 -0.585 1.00 0.00 O ATOM 935 CB PRO A 56 -4.071 -0.821 -3.218 1.00 0.00 C ATOM 936 CG PRO A 56 -4.474 -2.112 -2.560 1.00 0.00 C ATOM 937 CD PRO A 56 -3.219 -2.722 -1.905 1.00 0.00 C ATOM 0 HA PRO A 56 -2.081 0.114 -3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.817 -0.045 -3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.980 -0.943 -4.297 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.247 -1.934 -1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.894 -2.800 -3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.358 -2.863 -0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.984 -3.699 -2.327 1.00 0.00 H new ATOM 945 N LEU A 57 -2.117 1.479 -1.255 1.00 0.00 N ATOM 946 CA LEU A 57 -2.213 2.392 -0.128 1.00 0.00 C ATOM 947 C LEU A 57 -3.550 3.118 -0.131 1.00 0.00 C ATOM 948 O LEU A 57 -4.144 3.348 0.917 1.00 0.00 O ATOM 949 CB LEU A 57 -1.050 3.393 -0.122 1.00 0.00 C ATOM 950 CG LEU A 57 0.212 2.751 0.497 1.00 0.00 C ATOM 951 CD1 LEU A 57 -0.081 2.258 1.922 1.00 0.00 C ATOM 952 CD2 LEU A 57 0.691 1.575 -0.365 1.00 0.00 C ATOM 0 H LEU A 57 -1.375 1.700 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.148 1.800 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.837 3.719 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.329 4.281 0.445 1.00 0.00 H new ATOM 0 HG LEU A 57 0.995 3.508 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.818 1.809 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.391 3.100 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.879 1.516 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.581 1.133 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.096 0.824 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.929 1.932 -1.367 1.00 0.00 H new ATOM 964 N GLU A 58 -4.008 3.493 -1.310 1.00 0.00 N ATOM 965 CA GLU A 58 -5.258 4.224 -1.450 1.00 0.00 C ATOM 966 C GLU A 58 -6.401 3.426 -0.845 1.00 0.00 C ATOM 967 O GLU A 58 -7.238 3.970 -0.119 1.00 0.00 O ATOM 968 CB GLU A 58 -5.548 4.497 -2.927 1.00 0.00 C ATOM 969 CG GLU A 58 -4.256 4.923 -3.644 1.00 0.00 C ATOM 970 CD GLU A 58 -3.548 3.711 -4.219 1.00 0.00 C ATOM 971 OE1 GLU A 58 -2.846 3.054 -3.482 1.00 0.00 O ATOM 972 OE2 GLU A 58 -3.722 3.454 -5.392 1.00 0.00 O ATOM 0 H GLU A 58 -3.531 3.303 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.166 5.174 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.957 3.603 -3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.301 5.280 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.490 5.628 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.598 5.439 -2.945 1.00 0.00 H new ATOM 979 N ASP A 59 -6.402 2.122 -1.093 1.00 0.00 N ATOM 980 CA ASP A 59 -7.393 1.246 -0.480 1.00 0.00 C ATOM 981 C ASP A 59 -7.177 1.243 1.014 1.00 0.00 C ATOM 982 O ASP A 59 -8.118 1.264 1.797 1.00 0.00 O ATOM 983 CB ASP A 59 -7.246 -0.190 -1.002 1.00 0.00 C ATOM 984 CG ASP A 59 -8.463 -1.011 -0.626 1.00 0.00 C ATOM 985 OD1 ASP A 59 -9.521 -0.716 -1.134 1.00 0.00 O ATOM 986 OD2 ASP A 59 -8.329 -1.925 0.162 1.00 0.00 O ATOM 0 H ASP A 59 -5.736 1.652 -1.707 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.389 1.611 -0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.125 -0.180 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.348 -0.646 -0.585 1.00 0.00 H new ATOM 991 N ILE A 60 -5.919 1.174 1.385 1.00 0.00 N ATOM 992 CA ILE A 60 -5.495 1.131 2.767 1.00 0.00 C ATOM 993 C ILE A 60 -5.854 2.430 3.500 1.00 0.00 C ATOM 994 O ILE A 60 -6.288 2.396 4.644 1.00 0.00 O ATOM 995 CB ILE A 60 -3.985 0.857 2.811 1.00 0.00 C ATOM 996 CG1 ILE A 60 -3.726 -0.560 2.284 1.00 0.00 C ATOM 997 CG2 ILE A 60 -3.461 0.959 4.248 1.00 0.00 C ATOM 998 CD1 ILE A 60 -2.243 -0.735 1.985 1.00 0.00 C ATOM 0 H ILE A 60 -5.145 1.146 0.721 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.020 0.328 3.284 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.471 1.596 2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.047 -1.296 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.312 -0.735 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.389 0.762 4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.650 1.961 4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.971 0.227 4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.064 -1.743 1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.935 -0.009 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.667 -0.579 2.897 1.00 0.00 H new ATOM 1010 N PHE A 61 -5.621 3.574 2.855 1.00 0.00 N ATOM 1011 CA PHE A 61 -5.849 4.869 3.511 1.00 0.00 C ATOM 1012 C PHE A 61 -7.292 5.034 3.967 1.00 0.00 C ATOM 1013 O PHE A 61 -7.546 5.535 5.068 1.00 0.00 O ATOM 1014 CB PHE A 61 -5.487 6.046 2.584 1.00 0.00 C ATOM 1015 CG PHE A 61 -3.998 6.332 2.622 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -3.419 6.831 3.794 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -3.202 6.115 1.488 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -2.051 7.108 3.833 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -1.830 6.398 1.531 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.256 6.892 2.705 1.00 0.00 C ATOM 0 H PHE A 61 -5.280 3.635 1.895 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.198 4.880 4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.790 5.815 1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.039 6.935 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.030 7.002 4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.646 5.730 0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.606 7.491 4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.217 6.234 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.198 7.107 2.740 1.00 0.00 H new ATOM 1030 N GLN A 62 -8.237 4.690 3.096 1.00 0.00 N ATOM 1031 CA GLN A 62 -9.655 4.910 3.390 1.00 0.00 C ATOM 1032 C GLN A 62 -9.825 6.287 4.030 1.00 0.00 C ATOM 1033 O GLN A 62 -9.693 7.314 3.357 1.00 0.00 O ATOM 1034 CB GLN A 62 -10.201 3.818 4.334 1.00 0.00 C ATOM 1035 CG GLN A 62 -10.109 2.446 3.670 1.00 0.00 C ATOM 1036 CD GLN A 62 -10.951 2.418 2.401 1.00 0.00 C ATOM 1037 OE1 GLN A 62 -12.110 2.827 2.419 1.00 0.00 O ATOM 1038 NE2 GLN A 62 -10.442 1.960 1.305 1.00 0.00 N ATOM 0 H GLN A 62 -8.052 4.262 2.189 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.219 4.861 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.635 3.817 5.265 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.238 4.036 4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.070 2.219 3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.453 1.676 4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.480 1.621 1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.002 1.937 0.453 1.00 0.00 H new ATOM 1047 N TRP A 63 -9.944 6.293 5.346 1.00 0.00 N ATOM 1048 CA TRP A 63 -9.944 7.509 6.136 1.00 0.00 C ATOM 1049 C TRP A 63 -9.382 7.195 7.516 1.00 0.00 C ATOM 1050 O TRP A 63 -9.968 7.561 8.541 1.00 0.00 O ATOM 1051 CB TRP A 63 -11.362 8.094 6.250 1.00 0.00 C ATOM 1052 CG TRP A 63 -11.271 9.583 6.245 1.00 0.00 C ATOM 1053 CD1 TRP A 63 -11.366 10.376 7.335 1.00 0.00 C ATOM 1054 CD2 TRP A 63 -11.058 10.464 5.113 1.00 0.00 C ATOM 1055 NE1 TRP A 63 -11.224 11.694 6.934 1.00 0.00 N ATOM 1056 CE2 TRP A 63 -11.034 11.797 5.573 1.00 0.00 C ATOM 1057 CE3 TRP A 63 -10.887 10.234 3.738 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 -10.842 12.862 4.703 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 -10.694 11.306 2.858 1.00 0.00 C ATOM 1060 CH2 TRP A 63 -10.674 12.618 3.341 1.00 0.00 C ATOM 0 H TRP A 63 -10.044 5.443 5.901 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.321 8.257 5.645 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -11.979 7.751 5.420 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -11.840 7.748 7.167 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -11.526 10.039 8.348 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -11.256 12.492 7.569 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.904 9.224 3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -10.823 13.874 5.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -10.560 11.119 1.803 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -10.528 13.442 2.659 1.00 0.00 H new ATOM 1071 N GLN A 64 -8.305 6.413 7.534 1.00 0.00 N ATOM 1072 CA GLN A 64 -7.720 5.922 8.785 1.00 0.00 C ATOM 1073 C GLN A 64 -6.280 6.415 8.965 1.00 0.00 C ATOM 1074 O GLN A 64 -5.334 5.742 8.558 1.00 0.00 O ATOM 1075 CB GLN A 64 -7.744 4.379 8.793 1.00 0.00 C ATOM 1076 CG GLN A 64 -8.748 3.867 9.836 1.00 0.00 C ATOM 1077 CD GLN A 64 -8.060 3.729 11.188 1.00 0.00 C ATOM 1078 OE1 GLN A 64 -6.883 3.183 11.253 1.00 0.00 O flip ATOM 1079 NE2 GLN A 64 -8.618 4.134 12.219 1.00 0.00 N flip ATOM 0 H GLN A 64 -7.816 6.103 6.694 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.314 6.310 9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.015 4.008 7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.749 3.994 9.017 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.589 4.556 9.914 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.153 2.904 9.523 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.542 4.562 12.164 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.153 4.039 13.122 1.00 0.00 H new ATOM 1088 N PRO A 65 -6.088 7.551 9.595 1.00 0.00 N ATOM 1089 CA PRO A 65 -4.707 8.064 9.874 1.00 0.00 C ATOM 1090 C PRO A 65 -3.878 7.056 10.678 1.00 0.00 C ATOM 1091 O PRO A 65 -2.704 6.805 10.365 1.00 0.00 O ATOM 1092 CB PRO A 65 -4.953 9.340 10.687 1.00 0.00 C ATOM 1093 CG PRO A 65 -6.297 9.804 10.234 1.00 0.00 C ATOM 1094 CD PRO A 65 -7.114 8.534 10.002 1.00 0.00 C ATOM 0 HA PRO A 65 -4.139 8.240 8.961 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.940 9.139 11.758 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.186 10.090 10.494 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -6.766 10.440 10.985 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.221 10.393 9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.638 8.220 10.905 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.868 8.675 9.228 1.00 0.00 H new ATOM 1102 N GLU A 66 -4.514 6.447 11.675 1.00 0.00 N ATOM 1103 CA GLU A 66 -3.863 5.450 12.522 1.00 0.00 C ATOM 1104 C GLU A 66 -4.872 4.403 12.969 1.00 0.00 C ATOM 1105 O GLU A 66 -4.655 3.248 12.714 1.00 0.00 O ATOM 1106 CB GLU A 66 -3.269 6.118 13.764 1.00 0.00 C ATOM 1107 CG GLU A 66 -2.139 7.073 13.371 1.00 0.00 C ATOM 1108 CD GLU A 66 -1.598 7.766 14.604 1.00 0.00 C ATOM 1109 OE1 GLU A 66 -2.390 8.198 15.417 1.00 0.00 O ATOM 1110 OE2 GLU A 66 -0.401 7.855 14.726 1.00 0.00 O ATOM 1111 OXT GLU A 66 -5.846 4.776 13.580 1.00 0.00 O ATOM 0 H GLU A 66 -5.488 6.628 11.918 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.070 4.976 11.943 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.047 6.665 14.297 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.890 5.358 14.447 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.341 6.521 12.874 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.507 7.812 12.659 1.00 0.00 H new TER 1118 GLU A 66