USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 954 hydrogens (31 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 41 SER OG : rot -37:sc= 0.749 USER MOD Set 1.2: A 45 ASN : amide:sc= 0.187 K(o=0.94,f=-3!) USER MOD Set 2.1: A 21 TYR OH : rot 30:sc= -1.08! USER MOD Set 2.2: A 85 HIS : no HD1:sc= -6.09! C(o=-7.2!,f=-17!) USER MOD Single : A 10 THR OG1 : rot -7:sc= 0.339 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -95:sc= 1.04 USER MOD Single : A 14 SER OG : rot -107:sc= 0.941 USER MOD Single : A 18 SER OG : rot -140:sc= -3.17! USER MOD Single : A 19 CYS SG : rot -105:sc= 0.817 USER MOD Single : A 20 CYS SG : rot 180:sc= -0.343 USER MOD Single : A 23 SER OG : rot 77:sc= -2.14! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0088 USER MOD Single : A 40 THR OG1 : rot -130:sc= -0.187 USER MOD Single : A 42 GLN : amide:sc= -2.19! K(o=-2.2!,f=-0.25) USER MOD Single : A 44 HIS : no HD1:sc= -0.0241 K(o=1.7,f=-7.5!) USER MOD Single : A 49 GLN : amide:sc= 0.741 K(o=0.74,f=0) USER MOD Single : A 51 THR OG1 : rot 129:sc= -0.792! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.61 K(o=-0.61,f=0) USER MOD Single : A 63 GLN : amide:sc= 0.809 K(o=0.81,f=-4.3!) USER MOD Single : A 68 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.034) USER MOD Single : A 76 MET CE :methyl 143:sc= -3.38 (180deg=-6.64!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= 0.0239 K(o=0.024,f=-2.8!) USER MOD Single : A 80 GLN : amide:sc= -6.04! K(o=-6!,f=-1.9) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.0982 K(o=0.098,f=-0.56) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 143:sc= 1.08 (180deg=0.336) USER MOD Single : A 105 HIS : no HE2:sc= 0.0214 X(o=0.021,f=-0.28) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.6!) USER MOD Single : A 109 SER OG : rot 91:sc= 0.201 USER MOD Single : A 110 CYS SG : rot 180:sc= 0.154 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0.119 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.839 K(o=-0.84,f=0) USER MOD Single : A1126 FAD O2' : rot 180:sc= -0.127 USER MOD Single : A1126 FAD O2B : rot 35:sc= 0.213 USER MOD Single : A1126 FAD O3' : rot -149:sc= 0.616 USER MOD Single : A1126 FAD O3B : rot 38:sc= 0.182 USER MOD Single : A1126 FAD O4' : rot 105:sc= -0.767 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 5 -7.795 27.785 -26.023 0.20 90.00 N ATOM 2 CA LEU A 5 -6.902 26.819 -25.430 0.20 90.00 C ATOM 3 C LEU A 5 -5.893 27.538 -24.577 0.20 90.00 C ATOM 4 O LEU A 5 -5.386 28.597 -24.950 0.20 90.00 O ATOM 5 CB LEU A 5 -6.212 25.986 -26.515 0.20 90.00 C ATOM 6 CG LEU A 5 -5.231 24.899 -26.049 0.20 90.00 C ATOM 7 CD1 LEU A 5 -5.910 23.906 -25.119 0.20 90.00 C ATOM 8 CD2 LEU A 5 -4.647 24.177 -27.246 0.20 90.00 C ATOM 0 HA LEU A 5 -7.472 26.134 -24.803 0.20 90.00 H new ATOM 0 HB2 LEU A 5 -6.985 25.508 -27.116 0.20 90.00 H new ATOM 0 HB3 LEU A 5 -5.673 26.668 -27.173 0.20 90.00 H new ATOM 0 HG LEU A 5 -4.427 25.384 -25.495 0.20 90.00 H new ATOM 0 HD11 LEU A 5 -5.190 23.149 -24.806 0.20 90.00 H new ATOM 0 HD12 LEU A 5 -6.290 24.430 -24.242 0.20 90.00 H new ATOM 0 HD13 LEU A 5 -6.738 23.426 -25.641 0.20 90.00 H new ATOM 0 HD21 LEU A 5 -3.953 23.409 -26.905 0.20 90.00 H new ATOM 0 HD22 LEU A 5 -5.450 23.712 -27.818 0.20 90.00 H new ATOM 0 HD23 LEU A 5 -4.117 24.890 -27.878 0.20 90.00 H new ATOM 22 N GLU A 6 -5.638 26.982 -23.438 0.20 90.00 N ATOM 23 CA GLU A 6 -4.709 27.505 -22.497 0.20 90.00 C ATOM 24 C GLU A 6 -3.460 26.662 -22.539 0.20 90.00 C ATOM 25 O GLU A 6 -3.486 25.536 -23.060 0.20 90.00 O ATOM 26 CB GLU A 6 -5.344 27.502 -21.108 0.20 90.00 C ATOM 27 CG GLU A 6 -4.505 28.062 -19.977 0.20 90.00 C ATOM 28 CD GLU A 6 -4.024 29.464 -20.245 0.20 90.00 C ATOM 29 OE1 GLU A 6 -4.737 30.426 -19.906 0.20 90.00 O ATOM 30 OE2 GLU A 6 -2.926 29.624 -20.809 0.20 90.00 O ATOM 0 H GLU A 6 -6.088 26.121 -23.129 0.20 90.00 H new ATOM 0 HA GLU A 6 -4.443 28.534 -22.740 0.20 90.00 H new ATOM 0 HB2 GLU A 6 -6.273 28.070 -21.157 0.20 90.00 H new ATOM 0 HB3 GLU A 6 -5.611 26.475 -20.858 0.20 90.00 H new ATOM 0 HG2 GLU A 6 -5.091 28.053 -19.058 0.20 90.00 H new ATOM 0 HG3 GLU A 6 -3.645 27.413 -19.813 0.20 90.00 H new ATOM 37 N ALA A 7 -2.380 27.211 -22.050 0.20 90.00 N ATOM 38 CA ALA A 7 -1.120 26.513 -21.958 0.20 90.00 C ATOM 39 C ALA A 7 -1.298 25.257 -21.128 0.20 90.00 C ATOM 40 O ALA A 7 -1.927 25.287 -20.057 0.20 90.00 O ATOM 41 CB ALA A 7 -0.075 27.400 -21.326 0.20 90.00 C ATOM 0 H ALA A 7 -2.348 28.168 -21.699 0.20 90.00 H new ATOM 0 HA ALA A 7 -0.789 26.243 -22.961 0.20 90.00 H new ATOM 0 HB1 ALA A 7 0.870 26.861 -21.263 0.20 90.00 H new ATOM 0 HB2 ALA A 7 0.058 28.295 -21.933 0.20 90.00 H new ATOM 0 HB3 ALA A 7 -0.397 27.685 -20.325 0.20 90.00 H new ATOM 47 N ASP A 8 -0.774 24.173 -21.618 0.20 90.00 N ATOM 48 CA ASP A 8 -0.912 22.904 -20.967 0.20 90.00 C ATOM 49 C ASP A 8 0.053 22.860 -19.816 0.20 90.00 C ATOM 50 O ASP A 8 1.208 23.294 -19.958 0.20 90.00 O ATOM 51 CB ASP A 8 -0.624 21.767 -21.951 0.20 90.00 C ATOM 52 CG ASP A 8 -0.979 20.407 -21.404 0.20 90.00 C ATOM 53 OD1 ASP A 8 -0.140 19.767 -20.730 0.20 90.00 O ATOM 54 OD2 ASP A 8 -2.122 19.950 -21.631 0.20 90.00 O ATOM 0 H ASP A 8 -0.236 24.144 -22.484 0.20 90.00 H new ATOM 0 HA ASP A 8 -1.932 22.779 -20.603 0.20 90.00 H new ATOM 0 HB2 ASP A 8 -1.184 21.940 -22.870 0.20 90.00 H new ATOM 0 HB3 ASP A 8 0.434 21.781 -22.214 0.20 90.00 H new ATOM 59 N VAL A 9 -0.408 22.382 -18.682 0.20 90.00 N ATOM 60 CA VAL A 9 0.387 22.321 -17.494 0.20 90.00 C ATOM 61 C VAL A 9 1.564 21.353 -17.604 0.20 90.00 C ATOM 62 O VAL A 9 2.506 21.423 -16.800 0.20 90.00 O ATOM 63 CB VAL A 9 -0.441 22.008 -16.230 0.20 90.00 C ATOM 64 CG1 VAL A 9 -1.492 23.080 -15.995 0.20 90.00 C ATOM 65 CG2 VAL A 9 -1.081 20.654 -16.348 0.20 90.00 C ATOM 0 H VAL A 9 -1.356 22.023 -18.566 0.20 90.00 H new ATOM 0 HA VAL A 9 0.795 23.326 -17.389 0.20 90.00 H new ATOM 0 HB VAL A 9 0.230 22.000 -15.371 0.20 90.00 H new ATOM 0 HG11 VAL A 9 -2.064 22.839 -15.099 0.20 90.00 H new ATOM 0 HG12 VAL A 9 -1.004 24.046 -15.865 0.20 90.00 H new ATOM 0 HG13 VAL A 9 -2.163 23.125 -16.852 0.20 90.00 H new ATOM 0 HG21 VAL A 9 -1.662 20.447 -15.449 0.20 90.00 H new ATOM 0 HG22 VAL A 9 -1.739 20.637 -17.217 0.20 90.00 H new ATOM 0 HG23 VAL A 9 -0.307 19.895 -16.463 0.20 90.00 H new ATOM 75 N THR A 10 1.506 20.461 -18.612 0.20 90.00 N ATOM 76 CA THR A 10 2.492 19.427 -18.867 0.20 90.00 C ATOM 77 C THR A 10 2.667 18.556 -17.616 0.20 90.00 C ATOM 78 O THR A 10 1.710 18.409 -16.810 0.20 90.00 O ATOM 79 CB THR A 10 3.846 20.015 -19.379 0.20 90.00 C ATOM 80 OG1 THR A 10 4.538 20.779 -18.383 0.20 90.00 O ATOM 81 CG2 THR A 10 3.618 20.888 -20.603 0.20 90.00 C ATOM 0 H THR A 10 0.740 20.452 -19.286 0.20 90.00 H new ATOM 0 HA THR A 10 2.125 18.793 -19.674 0.20 90.00 H new ATOM 0 HB THR A 10 4.471 19.159 -19.634 0.20 90.00 H new ATOM 0 HG1 THR A 10 3.968 20.877 -17.592 0.20 90.00 H new ATOM 0 HG21 THR A 10 4.571 21.289 -20.946 0.20 90.00 H new ATOM 0 HG22 THR A 10 3.168 20.291 -21.397 0.20 90.00 H new ATOM 0 HG23 THR A 10 2.950 21.710 -20.344 0.20 90.00 H new ATOM 89 N MET A 11 3.770 17.897 -17.482 0.20 90.00 N ATOM 90 CA MET A 11 4.047 17.221 -16.280 0.20 90.00 C ATOM 91 C MET A 11 5.080 17.964 -15.511 0.20 90.00 C ATOM 92 O MET A 11 6.278 17.752 -15.664 0.20 90.00 O ATOM 93 CB MET A 11 4.401 15.760 -16.471 0.20 90.00 C ATOM 94 CG MET A 11 3.202 14.890 -16.779 0.20 90.00 C ATOM 95 SD MET A 11 3.595 13.138 -16.847 0.20 90.00 S ATOM 96 CE MET A 11 1.947 12.470 -17.108 0.20 90.00 C ATOM 0 H MET A 11 4.491 17.818 -18.199 0.20 90.00 H new ATOM 0 HA MET A 11 3.126 17.201 -15.697 0.20 90.00 H new ATOM 0 HB2 MET A 11 5.124 15.671 -17.282 0.20 90.00 H new ATOM 0 HB3 MET A 11 4.888 15.390 -15.569 0.20 90.00 H new ATOM 0 HG2 MET A 11 2.437 15.055 -16.020 0.20 90.00 H new ATOM 0 HG3 MET A 11 2.775 15.197 -17.734 0.20 90.00 H new ATOM 0 HE1 MET A 11 2.001 11.383 -17.175 0.20 90.00 H new ATOM 0 HE2 MET A 11 1.304 12.751 -16.274 0.20 90.00 H new ATOM 0 HE3 MET A 11 1.535 12.870 -18.034 0.20 90.00 H new ATOM 106 N THR A 12 4.610 18.928 -14.801 0.20 90.00 N ATOM 107 CA THR A 12 5.399 19.695 -13.926 0.20 90.00 C ATOM 108 C THR A 12 5.071 19.303 -12.506 0.20 90.00 C ATOM 109 O THR A 12 5.913 18.751 -11.787 0.20 90.00 O ATOM 110 CB THR A 12 5.130 21.166 -14.156 0.20 90.00 C ATOM 111 OG1 THR A 12 3.696 21.397 -14.225 0.20 90.00 O ATOM 112 CG2 THR A 12 5.800 21.648 -15.432 0.20 90.00 C ATOM 0 H THR A 12 3.629 19.208 -14.820 0.20 90.00 H new ATOM 0 HA THR A 12 6.457 19.510 -14.110 0.20 90.00 H new ATOM 0 HB THR A 12 5.547 21.729 -13.321 0.20 90.00 H new ATOM 0 HG1 THR A 12 3.407 21.384 -15.161 0.20 90.00 H new ATOM 0 HG21 THR A 12 5.591 22.708 -15.574 0.20 90.00 H new ATOM 0 HG22 THR A 12 6.877 21.497 -15.357 0.20 90.00 H new ATOM 0 HG23 THR A 12 5.413 21.085 -16.281 0.20 90.00 H new ATOM 120 N GLY A 13 3.819 19.513 -12.138 0.20 90.00 N ATOM 121 CA GLY A 13 3.353 19.168 -10.833 0.20 90.00 C ATOM 122 C GLY A 13 3.953 20.079 -9.818 0.20 90.00 C ATOM 123 O GLY A 13 3.739 21.300 -9.873 0.20 90.00 O ATOM 0 H GLY A 13 3.110 19.927 -12.743 0.20 90.00 H new ATOM 0 HA2 GLY A 13 2.266 19.236 -10.797 0.20 90.00 H new ATOM 0 HA3 GLY A 13 3.615 18.135 -10.606 0.20 90.00 H new ATOM 127 N SER A 14 4.750 19.519 -8.943 0.20 90.00 N ATOM 128 CA SER A 14 5.399 20.274 -7.921 0.20 90.00 C ATOM 129 C SER A 14 6.488 19.433 -7.234 0.20 90.00 C ATOM 130 O SER A 14 7.579 19.246 -7.763 0.20 90.00 O ATOM 131 CB SER A 14 4.352 20.835 -6.903 0.20 90.00 C ATOM 132 OG SER A 14 4.948 21.629 -5.888 0.20 90.00 O ATOM 0 H SER A 14 4.963 18.522 -8.926 0.20 90.00 H new ATOM 0 HA SER A 14 5.896 21.131 -8.376 0.20 90.00 H new ATOM 0 HB2 SER A 14 3.613 21.431 -7.439 0.20 90.00 H new ATOM 0 HB3 SER A 14 3.818 20.004 -6.442 0.20 90.00 H new ATOM 0 HG SER A 14 4.938 21.138 -5.040 0.20 90.00 H new ATOM 138 N ASP A 15 6.149 18.854 -6.135 1.00 10.00 N ATOM 139 CA ASP A 15 7.014 18.165 -5.301 1.00 10.00 C ATOM 140 C ASP A 15 6.374 16.920 -4.849 1.00 10.00 C ATOM 141 O ASP A 15 6.018 16.762 -3.699 1.00 10.00 O ATOM 142 CB ASP A 15 7.414 19.029 -4.110 1.00 10.00 C ATOM 143 CG ASP A 15 6.296 19.853 -3.444 1.00 10.00 C ATOM 144 OD1 ASP A 15 5.115 19.799 -3.849 1.00 10.00 O ATOM 145 OD2 ASP A 15 6.612 20.615 -2.518 1.00 10.00 O ATOM 0 H ASP A 15 5.189 18.862 -5.790 1.00 10.00 H new ATOM 0 HA ASP A 15 7.920 17.917 -5.854 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.855 18.381 -3.353 1.00 10.00 H new ATOM 0 HB3 ASP A 15 8.195 19.716 -4.436 1.00 10.00 H new ATOM 150 N LEU A 16 6.159 16.076 -5.776 1.00 10.00 N ATOM 151 CA LEU A 16 5.594 14.834 -5.539 1.00 10.00 C ATOM 152 C LEU A 16 6.585 13.792 -5.865 1.00 10.00 C ATOM 153 O LEU A 16 7.544 14.024 -6.606 1.00 10.00 O ATOM 154 CB LEU A 16 4.292 14.626 -6.311 1.00 10.00 C ATOM 155 CG LEU A 16 3.173 15.650 -6.149 1.00 10.00 C ATOM 156 CD1 LEU A 16 2.901 16.027 -4.711 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.365 16.836 -7.058 1.00 10.00 C ATOM 0 H LEU A 16 6.384 16.248 -6.756 1.00 10.00 H new ATOM 0 HA LEU A 16 5.326 14.771 -4.484 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.541 14.573 -7.371 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.892 13.652 -6.029 1.00 10.00 H new ATOM 0 HG LEU A 16 2.256 15.158 -6.475 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.094 16.758 -4.673 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.612 15.138 -4.150 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.801 16.457 -4.271 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.547 17.542 -6.912 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.312 17.324 -6.825 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.375 16.501 -8.095 1.00 10.00 H new ATOM 169 N VAL A 17 6.353 12.677 -5.326 1.00 10.00 N ATOM 170 CA VAL A 17 7.161 11.567 -5.387 1.00 10.00 C ATOM 171 C VAL A 17 6.255 10.334 -5.231 1.00 10.00 C ATOM 172 O VAL A 17 5.170 10.430 -4.655 1.00 10.00 O ATOM 173 CB VAL A 17 8.244 11.607 -4.249 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.808 10.267 -4.004 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.384 12.574 -4.551 1.00 10.00 C ATOM 0 H VAL A 17 5.508 12.511 -4.780 1.00 10.00 H new ATOM 0 HA VAL A 17 7.694 11.533 -6.337 1.00 10.00 H new ATOM 0 HB VAL A 17 7.725 11.961 -3.358 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.554 10.326 -3.212 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.012 9.587 -3.703 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.276 9.897 -4.916 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.101 12.559 -3.730 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.882 12.273 -5.473 1.00 10.00 H new ATOM 0 HG23 VAL A 17 8.985 13.582 -4.666 1.00 10.00 H new ATOM 185 N SER A 18 6.666 9.254 -5.790 1.00 10.00 N ATOM 186 CA SER A 18 6.019 7.996 -5.631 1.00 10.00 C ATOM 187 C SER A 18 7.003 6.969 -5.167 1.00 10.00 C ATOM 188 O SER A 18 7.939 6.607 -5.895 1.00 10.00 O ATOM 189 CB SER A 18 5.361 7.490 -6.917 1.00 10.00 C ATOM 190 OG SER A 18 4.218 8.229 -7.236 1.00 10.00 O ATOM 0 H SER A 18 7.489 9.217 -6.391 1.00 10.00 H new ATOM 0 HA SER A 18 5.233 8.150 -4.892 1.00 10.00 H new ATOM 0 HB2 SER A 18 6.074 7.549 -7.739 1.00 10.00 H new ATOM 0 HB3 SER A 18 5.095 6.439 -6.801 1.00 10.00 H new ATOM 0 HG SER A 18 3.521 7.626 -7.570 1.00 10.00 H new ATOM 196 N CYS A 19 6.837 6.542 -3.969 1.00 10.00 N ATOM 197 CA CYS A 19 7.552 5.422 -3.497 1.00 10.00 C ATOM 198 C CYS A 19 6.692 4.234 -3.845 1.00 10.00 C ATOM 199 O CYS A 19 5.560 4.101 -3.354 1.00 10.00 O ATOM 200 CB CYS A 19 7.810 5.527 -1.998 1.00 10.00 C ATOM 201 SG CYS A 19 8.788 6.977 -1.533 1.00 10.00 S ATOM 0 H CYS A 19 6.201 6.961 -3.291 1.00 10.00 H new ATOM 0 HA CYS A 19 8.540 5.340 -3.951 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.855 5.560 -1.474 1.00 10.00 H new ATOM 0 HB3 CYS A 19 8.326 4.628 -1.662 1.00 10.00 H new ATOM 0 HG CYS A 19 9.999 6.607 -1.239 1.00 10.00 H new ATOM 207 N CYS A 20 7.171 3.440 -4.738 1.00 10.00 N ATOM 208 CA CYS A 20 6.443 2.341 -5.249 1.00 10.00 C ATOM 209 C CYS A 20 7.055 1.161 -4.605 1.00 10.00 C ATOM 210 O CYS A 20 8.264 1.127 -4.508 1.00 10.00 O ATOM 211 CB CYS A 20 6.636 2.298 -6.769 1.00 10.00 C ATOM 212 SG CYS A 20 5.612 1.102 -7.638 1.00 10.00 S ATOM 0 H CYS A 20 8.103 3.543 -5.140 1.00 10.00 H new ATOM 0 HA CYS A 20 5.372 2.391 -5.052 1.00 10.00 H new ATOM 0 HB2 CYS A 20 6.431 3.289 -7.173 1.00 10.00 H new ATOM 0 HB3 CYS A 20 7.682 2.078 -6.980 1.00 10.00 H new ATOM 0 HG CYS A 20 5.863 1.161 -8.912 1.00 10.00 H new ATOM 218 N TYR A 21 6.285 0.237 -4.097 1.00 10.00 N ATOM 219 CA TYR A 21 6.890 -0.847 -3.413 1.00 10.00 C ATOM 220 C TYR A 21 6.126 -2.111 -3.595 1.00 10.00 C ATOM 221 O TYR A 21 4.955 -2.100 -4.012 1.00 10.00 O ATOM 222 CB TYR A 21 7.032 -0.525 -1.915 1.00 10.00 C ATOM 223 CG TYR A 21 5.865 -0.582 -0.983 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.354 -1.787 -0.496 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.343 0.584 -0.502 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.355 -1.793 0.434 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.350 0.575 0.409 1.00 10.00 C ATOM 228 CZ TYR A 21 3.866 -0.610 0.876 1.00 10.00 C ATOM 229 OH TYR A 21 2.913 -0.618 1.810 1.00 10.00 O ATOM 0 H TYR A 21 5.266 0.220 -4.146 1.00 10.00 H new ATOM 0 HA TYR A 21 7.881 -0.993 -3.844 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.787 -1.203 -1.517 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.441 0.483 -1.847 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.753 -2.723 -0.859 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.731 1.527 -0.857 1.00 10.00 H new ATOM 0 HE1 TYR A 21 3.961 -2.725 0.811 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.938 1.506 0.769 1.00 10.00 H new ATOM 0 HH TYR A 21 3.019 -1.409 2.379 1.00 10.00 H new ATOM 239 N ARG A 22 6.751 -3.196 -3.273 1.00 10.00 N ATOM 240 CA ARG A 22 6.065 -4.442 -3.269 1.00 10.00 C ATOM 241 C ARG A 22 6.314 -5.112 -1.949 1.00 10.00 C ATOM 242 O ARG A 22 7.246 -4.762 -1.218 1.00 10.00 O ATOM 243 CB ARG A 22 6.450 -5.376 -4.448 1.00 10.00 C ATOM 244 CG ARG A 22 7.537 -6.415 -4.174 1.00 10.00 C ATOM 245 CD ARG A 22 8.916 -5.818 -4.009 1.00 10.00 C ATOM 246 NE ARG A 22 9.861 -6.838 -3.544 1.00 10.00 N ATOM 247 CZ ARG A 22 10.620 -7.607 -4.323 1.00 10.00 C ATOM 248 NH1 ARG A 22 10.555 -7.501 -5.648 1.00 10.00 N ATOM 249 NH2 ARG A 22 11.448 -8.477 -3.756 1.00 10.00 N ATOM 0 H ARG A 22 7.735 -3.243 -3.010 1.00 10.00 H new ATOM 0 HA ARG A 22 5.003 -4.238 -3.408 1.00 10.00 H new ATOM 0 HB2 ARG A 22 5.552 -5.901 -4.773 1.00 10.00 H new ATOM 0 HB3 ARG A 22 6.776 -4.754 -5.282 1.00 10.00 H new ATOM 0 HG2 ARG A 22 7.279 -6.969 -3.271 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.557 -7.133 -4.994 1.00 10.00 H new ATOM 0 HD2 ARG A 22 9.256 -5.404 -4.958 1.00 10.00 H new ATOM 0 HD3 ARG A 22 8.880 -4.994 -3.296 1.00 10.00 H new ATOM 0 HE ARG A 22 9.945 -6.970 -2.536 1.00 10.00 H new ATOM 0 HH11 ARG A 22 9.920 -6.827 -6.075 1.00 10.00 H new ATOM 0 HH12 ARG A 22 11.140 -8.094 -6.236 1.00 10.00 H new ATOM 0 HH21 ARG A 22 11.495 -8.548 -2.740 1.00 10.00 H new ATOM 0 HH22 ARG A 22 12.037 -9.074 -4.337 1.00 10.00 H new ATOM 263 N SER A 23 5.493 -6.012 -1.606 1.00 10.00 N ATOM 264 CA SER A 23 5.688 -6.769 -0.438 1.00 10.00 C ATOM 265 C SER A 23 5.166 -8.149 -0.675 1.00 10.00 C ATOM 266 O SER A 23 4.530 -8.395 -1.669 1.00 10.00 O ATOM 267 CB SER A 23 4.994 -6.141 0.757 1.00 10.00 C ATOM 268 OG SER A 23 5.438 -4.832 0.969 1.00 10.00 O ATOM 0 H SER A 23 4.653 -6.252 -2.132 1.00 10.00 H new ATOM 0 HA SER A 23 6.753 -6.802 -0.210 1.00 10.00 H new ATOM 0 HB2 SER A 23 3.916 -6.141 0.596 1.00 10.00 H new ATOM 0 HB3 SER A 23 5.183 -6.741 1.647 1.00 10.00 H new ATOM 0 HG SER A 23 5.020 -4.235 0.314 1.00 10.00 H new ATOM 274 N LEU A 24 5.437 -9.032 0.210 1.00 10.00 N ATOM 275 CA LEU A 24 4.932 -10.400 0.058 1.00 10.00 C ATOM 276 C LEU A 24 3.919 -10.754 1.138 1.00 10.00 C ATOM 277 O LEU A 24 3.868 -11.887 1.544 1.00 10.00 O ATOM 278 CB LEU A 24 6.081 -11.436 0.003 1.00 10.00 C ATOM 279 CG LEU A 24 6.923 -11.530 -1.304 1.00 10.00 C ATOM 280 CD1 LEU A 24 6.047 -11.846 -2.506 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.751 -10.277 -1.558 1.00 10.00 C ATOM 0 H LEU A 24 5.996 -8.865 1.047 1.00 10.00 H new ATOM 0 HA LEU A 24 4.413 -10.439 -0.900 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.764 -11.220 0.825 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.652 -12.420 0.195 1.00 10.00 H new ATOM 0 HG LEU A 24 7.622 -12.354 -1.160 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.666 -11.905 -3.402 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.544 -12.800 -2.349 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.302 -11.060 -2.630 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.318 -10.397 -2.481 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.089 -9.416 -1.648 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.439 -10.121 -0.727 1.00 10.00 H new ATOM 293 N ALA A 25 3.106 -9.724 1.546 1.00 10.00 N ATOM 294 CA ALA A 25 2.032 -9.797 2.611 1.00 10.00 C ATOM 295 C ALA A 25 2.221 -10.932 3.604 1.00 10.00 C ATOM 296 O ALA A 25 1.871 -12.080 3.315 1.00 10.00 O ATOM 297 CB ALA A 25 0.641 -9.822 2.011 1.00 10.00 C ATOM 0 H ALA A 25 3.178 -8.793 1.135 1.00 10.00 H new ATOM 0 HA ALA A 25 2.141 -8.877 3.185 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -0.099 -9.875 2.810 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.480 -8.916 1.427 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.539 -10.694 1.364 1.00 10.00 H new ATOM 303 N ALA A 26 2.680 -10.579 4.801 1.00 10.00 N ATOM 304 CA ALA A 26 3.125 -11.511 5.763 1.00 10.00 C ATOM 305 C ALA A 26 2.075 -12.549 6.086 1.00 10.00 C ATOM 306 O ALA A 26 0.966 -12.223 6.449 1.00 10.00 O ATOM 307 CB ALA A 26 3.540 -10.768 6.980 1.00 10.00 C ATOM 0 H ALA A 26 2.744 -9.609 5.110 1.00 10.00 H new ATOM 0 HA ALA A 26 3.973 -12.061 5.355 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.887 -11.473 7.736 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.346 -10.079 6.728 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.691 -10.206 7.370 1.00 10.00 H new ATOM 313 N PRO A 27 2.429 -13.814 5.952 1.00 10.00 N ATOM 314 CA PRO A 27 1.525 -14.965 6.205 1.00 10.00 C ATOM 315 C PRO A 27 1.031 -15.066 7.645 1.00 10.00 C ATOM 316 O PRO A 27 0.178 -15.890 7.968 1.00 10.00 O ATOM 317 CB PRO A 27 2.425 -16.150 5.897 1.00 10.00 C ATOM 318 CG PRO A 27 3.776 -15.588 6.147 1.00 10.00 C ATOM 319 CD PRO A 27 3.746 -14.285 5.501 1.00 10.00 C ATOM 0 HA PRO A 27 0.614 -14.891 5.612 1.00 10.00 H new ATOM 0 HB2 PRO A 27 2.212 -17.002 6.543 1.00 10.00 H new ATOM 0 HB3 PRO A 27 2.310 -16.493 4.869 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.979 -15.499 7.214 1.00 10.00 H new ATOM 0 HG3 PRO A 27 4.556 -16.223 5.726 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.557 -13.636 5.831 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.815 -14.355 4.415 1.00 10.00 H new ATOM 327 N ASP A 28 1.527 -14.210 8.469 1.00 10.00 N ATOM 328 CA ASP A 28 1.204 -14.222 9.893 1.00 10.00 C ATOM 329 C ASP A 28 0.193 -13.131 10.185 1.00 10.00 C ATOM 330 O ASP A 28 -0.071 -12.770 11.335 1.00 10.00 O ATOM 331 CB ASP A 28 2.472 -14.070 10.765 1.00 10.00 C ATOM 332 CG ASP A 28 3.160 -12.721 10.667 1.00 10.00 C ATOM 333 OD1 ASP A 28 3.702 -12.386 9.592 1.00 10.00 O ATOM 334 OD2 ASP A 28 3.244 -12.006 11.692 1.00 10.00 O ATOM 0 H ASP A 28 2.173 -13.470 8.194 1.00 10.00 H new ATOM 0 HA ASP A 28 0.767 -15.187 10.148 1.00 10.00 H new ATOM 0 HB2 ASP A 28 2.202 -14.249 11.806 1.00 10.00 H new ATOM 0 HB3 ASP A 28 3.184 -14.845 10.483 1.00 10.00 H new ATOM 339 N LEU A 29 -0.412 -12.668 9.122 1.00 10.00 N ATOM 340 CA LEU A 29 -1.352 -11.596 9.149 1.00 10.00 C ATOM 341 C LEU A 29 -2.709 -11.906 9.703 1.00 10.00 C ATOM 342 O LEU A 29 -3.170 -13.065 9.740 1.00 10.00 O ATOM 343 CB LEU A 29 -1.493 -10.969 7.792 1.00 10.00 C ATOM 344 CG LEU A 29 -0.609 -9.784 7.555 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.712 -9.336 6.112 1.00 10.00 C ATOM 346 CD2 LEU A 29 -1.029 -8.675 8.502 1.00 10.00 C ATOM 0 H LEU A 29 -0.253 -13.044 8.187 1.00 10.00 H new ATOM 0 HA LEU A 29 -0.913 -10.898 9.862 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.278 -11.723 7.034 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.530 -10.665 7.653 1.00 10.00 H new ATOM 0 HG LEU A 29 0.432 -10.046 7.745 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -0.065 -8.474 5.952 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.402 -10.149 5.456 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.743 -9.062 5.889 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -0.395 -7.802 8.344 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.069 -8.408 8.312 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.925 -9.017 9.532 1.00 10.00 H new ATOM 358 N THR A 30 -3.313 -10.843 10.146 1.00 10.00 N ATOM 359 CA THR A 30 -4.633 -10.785 10.623 1.00 10.00 C ATOM 360 C THR A 30 -5.442 -9.804 9.827 1.00 10.00 C ATOM 361 O THR A 30 -5.086 -8.631 9.748 1.00 10.00 O ATOM 362 CB THR A 30 -4.628 -10.346 12.046 1.00 10.00 C ATOM 363 OG1 THR A 30 -3.372 -9.708 12.368 1.00 10.00 O ATOM 364 CG2 THR A 30 -4.911 -11.499 12.940 1.00 10.00 C ATOM 0 H THR A 30 -2.848 -9.936 10.179 1.00 10.00 H new ATOM 0 HA THR A 30 -5.074 -11.777 10.530 1.00 10.00 H new ATOM 0 HB THR A 30 -5.418 -9.610 12.199 1.00 10.00 H new ATOM 0 HG1 THR A 30 -3.381 -9.422 13.305 1.00 10.00 H new ATOM 0 HG21 THR A 30 -4.905 -11.165 13.978 1.00 10.00 H new ATOM 0 HG22 THR A 30 -5.889 -11.915 12.699 1.00 10.00 H new ATOM 0 HG23 THR A 30 -4.147 -12.264 12.800 1.00 10.00 H new ATOM 372 N LEU A 31 -6.517 -10.291 9.242 1.00 10.00 N ATOM 373 CA LEU A 31 -7.474 -9.505 8.457 1.00 10.00 C ATOM 374 C LEU A 31 -7.855 -8.238 9.152 1.00 10.00 C ATOM 375 O LEU A 31 -7.895 -7.198 8.527 1.00 10.00 O ATOM 376 CB LEU A 31 -8.717 -10.315 8.292 1.00 10.00 C ATOM 377 CG LEU A 31 -9.886 -9.687 7.533 1.00 10.00 C ATOM 378 CD1 LEU A 31 -9.574 -9.508 6.060 1.00 10.00 C ATOM 379 CD2 LEU A 31 -11.134 -10.511 7.727 1.00 10.00 C ATOM 0 H LEU A 31 -6.766 -11.279 9.296 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.008 -9.258 7.503 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -8.447 -11.241 7.784 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.072 -10.588 9.286 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.055 -8.692 7.944 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -10.431 -9.059 5.558 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -8.706 -8.858 5.948 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -9.360 -10.479 5.613 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -11.960 -10.054 7.182 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -10.966 -11.520 7.352 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -11.380 -10.555 8.788 1.00 10.00 H new ATOM 391 N ARG A 32 -8.075 -8.297 10.452 1.00 10.00 N ATOM 392 CA ARG A 32 -8.556 -7.111 11.134 1.00 10.00 C ATOM 393 C ARG A 32 -7.517 -6.002 11.101 1.00 10.00 C ATOM 394 O ARG A 32 -7.855 -4.823 11.065 1.00 10.00 O ATOM 395 CB ARG A 32 -9.000 -7.395 12.557 1.00 10.00 C ATOM 396 CG ARG A 32 -9.764 -6.231 13.171 1.00 10.00 C ATOM 397 CD ARG A 32 -11.047 -5.933 12.389 1.00 10.00 C ATOM 398 NE ARG A 32 -11.891 -7.127 12.199 1.00 10.00 N ATOM 399 CZ ARG A 32 -12.731 -7.313 11.161 1.00 10.00 C ATOM 400 NH1 ARG A 32 -12.905 -6.347 10.249 1.00 10.00 N ATOM 401 NH2 ARG A 32 -13.407 -8.447 11.050 1.00 10.00 N ATOM 0 H ARG A 32 -7.935 -9.120 11.038 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.438 -6.775 10.590 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -9.630 -8.285 12.567 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -8.126 -7.616 13.170 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -10.012 -6.462 14.207 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -9.130 -5.344 13.185 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -11.619 -5.169 12.916 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -10.786 -5.520 11.415 1.00 10.00 H new ATOM 0 HE ARG A 32 -11.835 -7.864 12.902 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -12.401 -5.465 10.338 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -13.542 -6.494 9.466 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -13.292 -9.180 11.750 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -14.042 -8.587 10.264 1.00 10.00 H new ATOM 415 N ASP A 33 -6.268 -6.385 11.030 1.00 10.00 N ATOM 416 CA ASP A 33 -5.195 -5.427 10.990 1.00 10.00 C ATOM 417 C ASP A 33 -5.011 -4.919 9.554 1.00 10.00 C ATOM 418 O ASP A 33 -4.529 -3.820 9.354 1.00 10.00 O ATOM 419 CB ASP A 33 -3.907 -6.016 11.600 1.00 10.00 C ATOM 420 CG ASP A 33 -2.792 -4.996 11.808 1.00 10.00 C ATOM 421 OD1 ASP A 33 -3.051 -3.852 12.278 1.00 10.00 O ATOM 422 OD2 ASP A 33 -1.629 -5.309 11.521 1.00 10.00 O ATOM 0 H ASP A 33 -5.969 -7.360 10.999 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.447 -4.564 11.607 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -4.149 -6.474 12.559 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -3.541 -6.811 10.950 1.00 10.00 H new ATOM 427 N LEU A 34 -5.490 -5.703 8.537 1.00 10.00 N ATOM 428 CA LEU A 34 -5.476 -5.190 7.124 1.00 10.00 C ATOM 429 C LEU A 34 -6.509 -4.120 7.003 1.00 10.00 C ATOM 430 O LEU A 34 -6.332 -3.098 6.341 1.00 10.00 O ATOM 431 CB LEU A 34 -5.816 -6.251 6.031 1.00 10.00 C ATOM 432 CG LEU A 34 -4.779 -7.302 5.639 1.00 10.00 C ATOM 433 CD1 LEU A 34 -3.541 -6.671 5.029 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.425 -8.112 6.815 1.00 10.00 C ATOM 0 H LEU A 34 -5.871 -6.642 8.655 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.455 -4.852 6.948 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -6.708 -6.783 6.362 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.086 -5.708 5.125 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.219 -7.946 4.878 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -2.828 -7.452 4.764 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -3.820 -6.115 4.134 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.085 -5.993 5.750 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -3.685 -8.861 6.532 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.010 -7.467 7.590 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.317 -8.609 7.196 1.00 10.00 H new ATOM 446 N LEU A 35 -7.599 -4.392 7.630 1.00 10.00 N ATOM 447 CA LEU A 35 -8.736 -3.506 7.627 1.00 10.00 C ATOM 448 C LEU A 35 -8.438 -2.280 8.469 1.00 10.00 C ATOM 449 O LEU A 35 -8.916 -1.187 8.192 1.00 10.00 O ATOM 450 CB LEU A 35 -10.009 -4.265 8.051 1.00 10.00 C ATOM 451 CG LEU A 35 -10.637 -5.227 6.988 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.339 -4.427 5.908 1.00 10.00 C ATOM 453 CD2 LEU A 35 -9.571 -6.095 6.328 1.00 10.00 C ATOM 0 H LEU A 35 -7.740 -5.245 8.171 1.00 10.00 H new ATOM 0 HA LEU A 35 -8.929 -3.144 6.617 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.778 -4.847 8.943 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.764 -3.532 8.336 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.349 -5.867 7.509 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -11.772 -5.107 5.174 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.130 -3.826 6.357 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -10.621 -3.772 5.416 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.039 -6.752 5.595 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -8.840 -5.458 5.830 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.071 -6.697 7.087 1.00 10.00 H new ATOM 465 N ASP A 36 -7.634 -2.461 9.489 1.00 10.00 N ATOM 466 CA ASP A 36 -7.097 -1.294 10.217 1.00 10.00 C ATOM 467 C ASP A 36 -6.206 -0.437 9.337 1.00 10.00 C ATOM 468 O ASP A 36 -6.238 0.802 9.437 1.00 10.00 O ATOM 469 CB ASP A 36 -6.347 -1.641 11.491 1.00 10.00 C ATOM 470 CG ASP A 36 -7.243 -1.762 12.685 1.00 10.00 C ATOM 471 OD1 ASP A 36 -8.071 -0.854 12.899 1.00 10.00 O ATOM 472 OD2 ASP A 36 -7.091 -2.721 13.484 1.00 10.00 O ATOM 0 H ASP A 36 -7.333 -3.370 9.840 1.00 10.00 H new ATOM 0 HA ASP A 36 -7.985 -0.732 10.507 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -5.814 -2.581 11.347 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.596 -0.875 11.684 1.00 10.00 H new ATOM 477 N ILE A 37 -5.406 -1.095 8.483 1.00 10.00 N ATOM 478 CA ILE A 37 -4.510 -0.419 7.524 1.00 10.00 C ATOM 479 C ILE A 37 -5.293 0.584 6.698 1.00 10.00 C ATOM 480 O ILE A 37 -4.977 1.765 6.685 1.00 10.00 O ATOM 481 CB ILE A 37 -3.843 -1.429 6.526 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.856 -2.349 7.217 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.172 -0.726 5.344 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.446 -3.522 6.350 1.00 10.00 C ATOM 0 H ILE A 37 -5.360 -2.113 8.436 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.735 0.070 8.114 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.658 -2.038 6.134 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.969 -1.780 7.495 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.298 -2.722 8.141 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.726 -1.470 4.684 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.916 -0.151 4.793 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.395 -0.056 5.712 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.739 -4.147 6.895 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.327 -4.110 6.093 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.977 -3.154 5.438 1.00 10.00 H new ATOM 496 N VAL A 38 -6.335 0.104 6.044 1.00 10.00 N ATOM 497 CA VAL A 38 -7.113 0.935 5.148 1.00 10.00 C ATOM 498 C VAL A 38 -7.734 2.143 5.866 1.00 10.00 C ATOM 499 O VAL A 38 -7.610 3.285 5.393 1.00 10.00 O ATOM 500 CB VAL A 38 -8.174 0.110 4.337 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.145 -0.620 5.224 1.00 10.00 C ATOM 502 CG2 VAL A 38 -8.911 0.976 3.338 1.00 10.00 C ATOM 0 H VAL A 38 -6.661 -0.860 6.118 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.414 1.338 4.415 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.612 -0.645 3.787 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.855 -1.173 4.609 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.601 -1.315 5.864 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.683 0.098 5.843 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.637 0.369 2.796 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.429 1.778 3.864 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.199 1.405 2.633 1.00 10.00 H new ATOM 512 N GLU A 39 -8.288 1.904 7.044 1.00 10.00 N ATOM 513 CA GLU A 39 -8.940 2.946 7.813 1.00 10.00 C ATOM 514 C GLU A 39 -7.963 4.041 8.280 1.00 10.00 C ATOM 515 O GLU A 39 -8.326 5.223 8.328 1.00 10.00 O ATOM 516 CB GLU A 39 -9.725 2.348 8.989 1.00 10.00 C ATOM 517 CG GLU A 39 -10.867 1.442 8.549 1.00 10.00 C ATOM 518 CD GLU A 39 -11.700 0.910 9.697 1.00 10.00 C ATOM 519 OE1 GLU A 39 -12.625 1.607 10.137 1.00 10.00 O ATOM 520 OE2 GLU A 39 -11.491 -0.240 10.139 1.00 10.00 O ATOM 0 H GLU A 39 -8.297 0.987 7.490 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.649 3.437 7.146 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -9.043 1.780 9.622 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -10.126 3.158 9.599 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -11.514 1.994 7.867 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -10.457 0.601 7.989 1.00 10.00 H new ATOM 527 N THR A 40 -6.728 3.671 8.592 1.00 10.00 N ATOM 528 CA THR A 40 -5.751 4.663 9.023 1.00 10.00 C ATOM 529 C THR A 40 -5.056 5.323 7.813 1.00 10.00 C ATOM 530 O THR A 40 -4.651 6.485 7.878 1.00 10.00 O ATOM 531 CB THR A 40 -4.681 4.065 10.018 1.00 10.00 C ATOM 532 OG1 THR A 40 -3.872 5.107 10.579 1.00 10.00 O ATOM 533 CG2 THR A 40 -3.757 3.058 9.331 1.00 10.00 C ATOM 0 H THR A 40 -6.383 2.712 8.556 1.00 10.00 H new ATOM 0 HA THR A 40 -6.305 5.428 9.567 1.00 10.00 H new ATOM 0 HB THR A 40 -5.240 3.555 10.802 1.00 10.00 H new ATOM 0 HG1 THR A 40 -2.925 4.872 10.486 1.00 10.00 H new ATOM 0 HG21 THR A 40 -3.037 2.673 10.053 1.00 10.00 H new ATOM 0 HG22 THR A 40 -4.349 2.234 8.933 1.00 10.00 H new ATOM 0 HG23 THR A 40 -3.225 3.549 8.516 1.00 10.00 H new ATOM 541 N SER A 41 -4.956 4.585 6.719 1.00 10.00 N ATOM 542 CA SER A 41 -4.251 5.039 5.544 1.00 10.00 C ATOM 543 C SER A 41 -4.935 6.251 4.905 1.00 10.00 C ATOM 544 O SER A 41 -4.349 7.321 4.861 1.00 10.00 O ATOM 545 CB SER A 41 -4.107 3.885 4.544 1.00 10.00 C ATOM 546 OG SER A 41 -3.238 4.205 3.481 1.00 10.00 O ATOM 0 H SER A 41 -5.364 3.655 6.626 1.00 10.00 H new ATOM 0 HA SER A 41 -3.256 5.365 5.846 1.00 10.00 H new ATOM 0 HB2 SER A 41 -3.734 3.002 5.063 1.00 10.00 H new ATOM 0 HB3 SER A 41 -5.088 3.629 4.144 1.00 10.00 H new ATOM 0 HG SER A 41 -3.350 5.148 3.239 1.00 10.00 H new ATOM 552 N GLN A 42 -6.197 6.085 4.471 1.00 10.00 N ATOM 553 CA GLN A 42 -6.965 7.152 3.752 1.00 10.00 C ATOM 554 C GLN A 42 -6.947 8.454 4.491 1.00 10.00 C ATOM 555 O GLN A 42 -6.805 9.514 3.896 1.00 10.00 O ATOM 556 CB GLN A 42 -8.397 6.727 3.601 1.00 10.00 C ATOM 557 CG GLN A 42 -8.537 5.506 2.765 1.00 10.00 C ATOM 558 CD GLN A 42 -9.687 4.638 3.162 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.291 3.947 2.332 1.00 10.00 O ATOM 560 NE2 GLN A 42 -10.001 4.627 4.428 1.00 10.00 N ATOM 0 H GLN A 42 -6.722 5.220 4.601 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.488 7.292 2.782 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.825 6.541 4.586 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.970 7.539 3.153 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.658 5.801 1.723 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.616 4.926 2.827 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.483 5.209 5.087 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.764 4.037 4.759 1.00 10.00 H new ATOM 569 N ALA A 43 -7.060 8.352 5.783 1.00 10.00 N ATOM 570 CA ALA A 43 -7.107 9.475 6.657 1.00 10.00 C ATOM 571 C ALA A 43 -5.809 10.296 6.581 1.00 10.00 C ATOM 572 O ALA A 43 -5.841 11.521 6.436 1.00 10.00 O ATOM 573 CB ALA A 43 -7.404 8.972 8.049 1.00 10.00 C ATOM 0 H ALA A 43 -7.123 7.456 6.267 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.900 10.160 6.356 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -7.445 9.815 8.739 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.363 8.453 8.052 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -6.619 8.284 8.363 1.00 10.00 H new ATOM 579 N HIS A 44 -4.676 9.613 6.593 1.00 10.00 N ATOM 580 CA HIS A 44 -3.376 10.277 6.500 1.00 10.00 C ATOM 581 C HIS A 44 -3.084 10.640 5.057 1.00 10.00 C ATOM 582 O HIS A 44 -2.453 11.655 4.795 1.00 10.00 O ATOM 583 CB HIS A 44 -2.280 9.378 7.039 1.00 10.00 C ATOM 584 CG HIS A 44 -0.893 9.991 7.122 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.226 9.335 6.687 1.00 10.00 N ATOM 586 CD2 HIS A 44 -0.446 11.163 7.638 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.289 10.059 6.917 1.00 10.00 C ATOM 588 NE2 HIS A 44 0.921 11.167 7.491 1.00 10.00 N ATOM 0 H HIS A 44 -4.625 8.597 6.666 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.406 11.186 7.100 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.568 9.046 8.036 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.225 8.489 6.410 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -1.048 11.943 8.080 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.304 9.784 6.672 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.546 11.918 7.785 1.00 10.00 H new ATOM 597 N ASN A 45 -3.540 9.804 4.128 1.00 10.00 N ATOM 598 CA ASN A 45 -3.378 10.080 2.702 1.00 10.00 C ATOM 599 C ASN A 45 -4.044 11.374 2.336 1.00 10.00 C ATOM 600 O ASN A 45 -3.418 12.245 1.774 1.00 10.00 O ATOM 601 CB ASN A 45 -3.905 8.947 1.792 1.00 10.00 C ATOM 602 CG ASN A 45 -2.987 7.737 1.693 1.00 10.00 C ATOM 603 OD1 ASN A 45 -3.091 6.799 2.454 1.00 10.00 O ATOM 604 ND2 ASN A 45 -2.101 7.744 0.729 1.00 10.00 N ATOM 0 H ASN A 45 -4.024 8.931 4.336 1.00 10.00 H new ATOM 0 HA ASN A 45 -2.304 10.151 2.530 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.876 8.621 2.165 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -4.066 9.348 0.791 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.477 6.947 0.604 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.035 8.546 0.103 1.00 10.00 H new ATOM 611 N ALA A 46 -5.299 11.516 2.724 1.00 10.00 N ATOM 612 CA ALA A 46 -6.067 12.722 2.441 1.00 10.00 C ATOM 613 C ALA A 46 -5.416 13.923 3.084 1.00 10.00 C ATOM 614 O ALA A 46 -5.244 14.970 2.458 1.00 10.00 O ATOM 615 CB ALA A 46 -7.473 12.576 2.965 1.00 10.00 C ATOM 0 H ALA A 46 -5.815 10.804 3.242 1.00 10.00 H new ATOM 0 HA ALA A 46 -6.095 12.866 1.361 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -8.038 13.483 2.748 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.954 11.725 2.483 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.445 12.415 4.043 1.00 10.00 H new ATOM 621 N ARG A 47 -5.015 13.744 4.331 1.00 10.00 N ATOM 622 CA ARG A 47 -4.374 14.788 5.101 1.00 10.00 C ATOM 623 C ARG A 47 -3.100 15.241 4.434 1.00 10.00 C ATOM 624 O ARG A 47 -2.905 16.430 4.191 1.00 10.00 O ATOM 625 CB ARG A 47 -4.039 14.291 6.491 1.00 10.00 C ATOM 626 CG ARG A 47 -3.510 15.369 7.438 1.00 10.00 C ATOM 627 CD ARG A 47 -4.572 16.403 7.771 1.00 10.00 C ATOM 628 NE ARG A 47 -5.675 15.822 8.550 1.00 10.00 N ATOM 629 CZ ARG A 47 -6.812 16.454 8.855 1.00 10.00 C ATOM 630 NH1 ARG A 47 -7.043 17.684 8.391 1.00 10.00 N ATOM 631 NH2 ARG A 47 -7.717 15.855 9.618 1.00 10.00 N ATOM 0 H ARG A 47 -5.127 12.865 4.837 1.00 10.00 H new ATOM 0 HA ARG A 47 -5.070 15.625 5.164 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -4.932 13.846 6.929 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.295 13.499 6.411 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -3.157 14.902 8.358 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -2.652 15.864 6.982 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -4.120 17.220 8.334 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -4.965 16.831 6.849 1.00 10.00 H new ATOM 0 HE ARG A 47 -5.564 14.864 8.883 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -6.350 18.145 7.801 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -7.912 18.163 8.626 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -7.544 14.914 9.971 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -8.586 16.336 9.852 1.00 10.00 H new ATOM 645 N ALA A 48 -2.241 14.306 4.122 1.00 10.00 N ATOM 646 CA ALA A 48 -0.984 14.661 3.564 1.00 10.00 C ATOM 647 C ALA A 48 -1.065 14.954 2.057 1.00 10.00 C ATOM 648 O ALA A 48 -0.068 15.333 1.456 1.00 10.00 O ATOM 649 CB ALA A 48 0.070 13.632 3.888 1.00 10.00 C ATOM 0 H ALA A 48 -2.396 13.306 4.247 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.683 15.597 4.034 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.020 13.933 3.447 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.181 13.553 4.969 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.228 12.665 3.482 1.00 10.00 H new ATOM 655 N GLN A 49 -2.280 14.792 1.469 1.00 10.00 N ATOM 656 CA GLN A 49 -2.570 15.088 0.037 1.00 10.00 C ATOM 657 C GLN A 49 -1.953 14.031 -0.880 1.00 10.00 C ATOM 658 O GLN A 49 -1.739 14.236 -2.093 1.00 10.00 O ATOM 659 CB GLN A 49 -2.122 16.502 -0.302 1.00 10.00 C ATOM 660 CG GLN A 49 -2.806 17.522 0.535 1.00 10.00 C ATOM 661 CD GLN A 49 -1.833 18.456 1.228 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.429 19.475 0.680 1.00 10.00 O ATOM 663 NE2 GLN A 49 -1.498 18.149 2.451 1.00 10.00 N ATOM 0 H GLN A 49 -3.094 14.449 1.979 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.646 15.040 -0.130 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.044 16.583 -0.163 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.323 16.703 -1.354 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.482 18.106 -0.090 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.419 17.020 1.284 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -1.852 17.293 2.877 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -0.882 18.765 2.981 1.00 10.00 H new ATOM 672 N LEU A 50 -1.748 12.898 -0.275 1.00 10.00 N ATOM 673 CA LEU A 50 -1.195 11.700 -0.868 1.00 10.00 C ATOM 674 C LEU A 50 -2.258 10.853 -1.566 1.00 10.00 C ATOM 675 O LEU A 50 -3.269 10.485 -0.975 1.00 10.00 O ATOM 676 CB LEU A 50 -0.526 10.883 0.232 1.00 10.00 C ATOM 677 CG LEU A 50 0.942 11.182 0.517 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.222 12.655 0.658 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.415 10.449 1.746 1.00 10.00 C ATOM 0 H LEU A 50 -1.975 12.770 0.711 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.473 11.996 -1.629 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -1.088 11.031 1.154 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.613 9.828 -0.028 1.00 10.00 H new ATOM 0 HG LEU A 50 1.498 10.827 -0.351 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.282 12.806 0.860 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.952 13.167 -0.266 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.634 13.060 1.482 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.465 10.680 1.926 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.822 10.760 2.606 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.300 9.375 1.596 1.00 10.00 H new ATOM 691 N THR A 51 -2.004 10.536 -2.801 1.00 10.00 N ATOM 692 CA THR A 51 -2.880 9.763 -3.624 1.00 10.00 C ATOM 693 C THR A 51 -2.250 8.397 -3.874 1.00 10.00 C ATOM 694 O THR A 51 -1.051 8.271 -3.808 1.00 10.00 O ATOM 695 CB THR A 51 -3.167 10.566 -4.881 1.00 10.00 C ATOM 696 OG1 THR A 51 -1.941 10.946 -5.502 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.854 11.817 -4.426 1.00 10.00 C ATOM 0 H THR A 51 -1.149 10.820 -3.278 1.00 10.00 H new ATOM 0 HA THR A 51 -3.840 9.564 -3.148 1.00 10.00 H new ATOM 0 HB THR A 51 -3.764 9.986 -5.585 1.00 10.00 H new ATOM 0 HG1 THR A 51 -1.963 10.697 -6.450 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.087 12.439 -5.290 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.776 11.557 -3.906 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.199 12.366 -3.750 1.00 10.00 H new ATOM 705 N GLY A 52 -3.045 7.374 -4.053 1.00 10.00 N ATOM 706 CA GLY A 52 -2.475 6.047 -4.011 1.00 10.00 C ATOM 707 C GLY A 52 -3.377 4.964 -4.497 1.00 10.00 C ATOM 708 O GLY A 52 -4.525 5.214 -4.898 1.00 10.00 O ATOM 0 H GLY A 52 -4.050 7.424 -4.223 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.565 6.039 -4.610 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.183 5.824 -2.985 1.00 10.00 H new ATOM 712 N ALA A 53 -2.851 3.778 -4.496 1.00 10.00 N ATOM 713 CA ALA A 53 -3.592 2.557 -4.781 1.00 10.00 C ATOM 714 C ALA A 53 -2.732 1.370 -4.409 1.00 10.00 C ATOM 715 O ALA A 53 -1.514 1.520 -4.242 1.00 10.00 O ATOM 716 CB ALA A 53 -4.049 2.471 -6.236 1.00 10.00 C ATOM 0 H ALA A 53 -1.865 3.613 -4.292 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.503 2.560 -4.183 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.596 1.541 -6.391 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.698 3.316 -6.464 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.179 2.494 -6.893 1.00 10.00 H new ATOM 722 N LEU A 54 -3.335 0.216 -4.245 1.00 10.00 N ATOM 723 CA LEU A 54 -2.575 -0.965 -3.954 1.00 10.00 C ATOM 724 C LEU A 54 -3.275 -2.166 -4.493 1.00 10.00 C ATOM 725 O LEU A 54 -4.512 -2.190 -4.600 1.00 10.00 O ATOM 726 CB LEU A 54 -2.247 -1.102 -2.438 1.00 10.00 C ATOM 727 CG LEU A 54 -3.342 -1.539 -1.433 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.540 -3.055 -1.428 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.001 -1.050 -0.037 1.00 10.00 C ATOM 0 H LEU A 54 -4.343 0.075 -4.309 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.610 -0.879 -4.454 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -1.426 -1.814 -2.349 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -1.869 -0.136 -2.102 1.00 10.00 H new ATOM 0 HG LEU A 54 -4.280 -1.086 -1.754 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.316 -3.318 -0.710 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -3.839 -3.386 -2.423 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -2.606 -3.543 -1.148 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -3.779 -1.364 0.659 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -2.045 -1.472 0.273 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -2.934 0.038 -0.039 1.00 10.00 H new ATOM 741 N PHE A 55 -2.507 -3.141 -4.845 1.00 10.00 N ATOM 742 CA PHE A 55 -3.003 -4.358 -5.376 1.00 10.00 C ATOM 743 C PHE A 55 -2.426 -5.511 -4.604 1.00 10.00 C ATOM 744 O PHE A 55 -1.236 -5.783 -4.657 1.00 10.00 O ATOM 745 CB PHE A 55 -2.666 -4.476 -6.867 1.00 10.00 C ATOM 746 CG PHE A 55 -3.262 -3.372 -7.690 1.00 10.00 C ATOM 747 CD1 PHE A 55 -4.557 -3.465 -8.149 1.00 10.00 C ATOM 748 CD2 PHE A 55 -2.530 -2.230 -7.981 1.00 10.00 C ATOM 749 CE1 PHE A 55 -5.118 -2.446 -8.879 1.00 10.00 C ATOM 750 CE2 PHE A 55 -3.085 -1.206 -8.716 1.00 10.00 C ATOM 751 CZ PHE A 55 -4.383 -1.314 -9.164 1.00 10.00 C ATOM 0 H PHE A 55 -1.490 -3.109 -4.768 1.00 10.00 H new ATOM 0 HA PHE A 55 -4.089 -4.374 -5.280 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.583 -4.471 -6.991 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -3.025 -5.435 -7.241 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -5.138 -4.349 -7.932 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.513 -2.143 -7.627 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -6.136 -2.531 -9.230 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -2.505 -0.323 -8.940 1.00 10.00 H new ATOM 0 HZ PHE A 55 -4.825 -0.513 -9.738 1.00 10.00 H new ATOM 761 N TYR A 56 -3.252 -6.115 -3.825 1.00 10.00 N ATOM 762 CA TYR A 56 -2.896 -7.289 -3.088 1.00 10.00 C ATOM 763 C TYR A 56 -3.426 -8.444 -3.918 1.00 10.00 C ATOM 764 O TYR A 56 -4.613 -8.466 -4.246 1.00 10.00 O ATOM 765 CB TYR A 56 -3.569 -7.231 -1.675 1.00 10.00 C ATOM 766 CG TYR A 56 -3.289 -8.388 -0.697 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.386 -9.731 -1.074 1.00 10.00 C ATOM 768 CD2 TYR A 56 -2.970 -8.117 0.628 1.00 10.00 C ATOM 769 CE1 TYR A 56 -3.160 -10.753 -0.172 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.742 -9.138 1.538 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.839 -10.455 1.133 1.00 10.00 C ATOM 772 OH TYR A 56 -2.612 -11.477 2.036 1.00 10.00 O ATOM 0 H TYR A 56 -4.213 -5.807 -3.675 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.824 -7.390 -2.921 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.258 -6.304 -1.194 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.648 -7.169 -1.820 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -3.644 -9.975 -2.094 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -2.898 -7.090 0.956 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -3.235 -11.782 -0.490 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.489 -8.904 2.562 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.396 -11.097 2.913 1.00 10.00 H new ATOM 782 N SER A 57 -2.570 -9.325 -4.341 1.00 10.00 N ATOM 783 CA SER A 57 -2.998 -10.449 -5.133 1.00 10.00 C ATOM 784 C SER A 57 -2.285 -11.711 -4.701 1.00 10.00 C ATOM 785 O SER A 57 -1.063 -11.816 -4.848 1.00 10.00 O ATOM 786 CB SER A 57 -2.771 -10.150 -6.616 1.00 10.00 C ATOM 787 OG SER A 57 -3.480 -8.964 -6.978 1.00 10.00 O ATOM 0 H SER A 57 -1.568 -9.291 -4.153 1.00 10.00 H new ATOM 0 HA SER A 57 -4.064 -10.614 -4.977 1.00 10.00 H new ATOM 0 HB2 SER A 57 -1.706 -10.024 -6.814 1.00 10.00 H new ATOM 0 HB3 SER A 57 -3.111 -10.989 -7.223 1.00 10.00 H new ATOM 0 HG SER A 57 -3.333 -8.772 -7.928 1.00 10.00 H new ATOM 793 N GLN A 58 -3.059 -12.647 -4.125 1.00 10.00 N ATOM 794 CA GLN A 58 -2.577 -13.952 -3.618 1.00 10.00 C ATOM 795 C GLN A 58 -1.702 -13.769 -2.361 1.00 10.00 C ATOM 796 O GLN A 58 -2.075 -14.181 -1.257 1.00 10.00 O ATOM 797 CB GLN A 58 -1.817 -14.729 -4.722 1.00 10.00 C ATOM 798 CG GLN A 58 -1.346 -16.124 -4.324 1.00 10.00 C ATOM 799 CD GLN A 58 -0.588 -16.861 -5.436 1.00 10.00 C ATOM 800 OE1 GLN A 58 -0.642 -18.077 -5.526 1.00 10.00 O ATOM 801 NE2 GLN A 58 0.151 -16.153 -6.252 1.00 10.00 N ATOM 0 H GLN A 58 -4.062 -12.518 -3.994 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.447 -14.544 -3.333 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -2.465 -14.816 -5.594 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -0.950 -14.143 -5.026 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -0.701 -16.044 -3.449 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -2.210 -16.719 -4.030 1.00 10.00 H new ATOM 0 HE21 GLN A 58 0.183 -15.138 -6.160 1.00 10.00 H new ATOM 0 HE22 GLN A 58 0.695 -16.617 -6.980 1.00 10.00 H new ATOM 810 N GLY A 59 -0.583 -13.133 -2.546 1.00 10.00 N ATOM 811 CA GLY A 59 0.354 -12.885 -1.488 1.00 10.00 C ATOM 812 C GLY A 59 1.177 -11.644 -1.768 1.00 10.00 C ATOM 813 O GLY A 59 1.510 -10.895 -0.861 1.00 10.00 O ATOM 0 H GLY A 59 -0.290 -12.765 -3.451 1.00 10.00 H new ATOM 0 HA2 GLY A 59 -0.180 -12.766 -0.545 1.00 10.00 H new ATOM 0 HA3 GLY A 59 1.014 -13.745 -1.374 1.00 10.00 H new ATOM 817 N VAL A 60 1.491 -11.406 -3.027 1.00 10.00 N ATOM 818 CA VAL A 60 2.270 -10.262 -3.379 1.00 10.00 C ATOM 819 C VAL A 60 1.460 -8.972 -3.262 1.00 10.00 C ATOM 820 O VAL A 60 0.360 -8.814 -3.826 1.00 10.00 O ATOM 821 CB VAL A 60 2.954 -10.390 -4.784 1.00 10.00 C ATOM 822 CG1 VAL A 60 1.939 -10.540 -5.911 1.00 10.00 C ATOM 823 CG2 VAL A 60 3.888 -9.214 -5.055 1.00 10.00 C ATOM 0 H VAL A 60 1.214 -11.995 -3.812 1.00 10.00 H new ATOM 0 HA VAL A 60 3.081 -10.213 -2.652 1.00 10.00 H new ATOM 0 HB VAL A 60 3.548 -11.304 -4.759 1.00 10.00 H new ATOM 0 HG11 VAL A 60 2.463 -10.625 -6.863 1.00 10.00 H new ATOM 0 HG12 VAL A 60 1.341 -11.436 -5.745 1.00 10.00 H new ATOM 0 HG13 VAL A 60 1.287 -9.667 -5.932 1.00 10.00 H new ATOM 0 HG21 VAL A 60 4.347 -9.332 -6.037 1.00 10.00 H new ATOM 0 HG22 VAL A 60 3.319 -8.284 -5.030 1.00 10.00 H new ATOM 0 HG23 VAL A 60 4.666 -9.184 -4.292 1.00 10.00 H new ATOM 833 N PHE A 61 1.973 -8.120 -2.441 1.00 10.00 N ATOM 834 CA PHE A 61 1.458 -6.805 -2.231 1.00 10.00 C ATOM 835 C PHE A 61 2.130 -5.850 -3.211 1.00 10.00 C ATOM 836 O PHE A 61 3.350 -5.777 -3.231 1.00 10.00 O ATOM 837 CB PHE A 61 1.926 -6.365 -0.872 1.00 10.00 C ATOM 838 CG PHE A 61 0.915 -6.031 0.146 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.205 -5.280 -0.154 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.122 -6.438 1.441 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.095 -4.954 0.840 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.253 -6.107 2.431 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.854 -5.370 2.133 1.00 10.00 C ATOM 0 H PHE A 61 2.795 -8.326 -1.874 1.00 10.00 H new ATOM 0 HA PHE A 61 0.374 -6.803 -2.342 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.556 -7.157 -0.466 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.561 -5.490 -1.008 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.380 -4.950 -1.167 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.992 -7.033 1.677 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -1.978 -4.376 0.611 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.438 -6.425 3.446 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.549 -5.109 2.917 1.00 10.00 H new ATOM 853 N PHE A 62 1.386 -5.153 -4.006 1.00 10.00 N ATOM 854 CA PHE A 62 1.955 -4.074 -4.789 1.00 10.00 C ATOM 855 C PHE A 62 1.308 -2.797 -4.309 1.00 10.00 C ATOM 856 O PHE A 62 0.101 -2.643 -4.407 1.00 10.00 O ATOM 857 CB PHE A 62 1.727 -4.285 -6.283 1.00 10.00 C ATOM 858 CG PHE A 62 2.333 -3.219 -7.153 1.00 10.00 C ATOM 859 CD1 PHE A 62 3.686 -3.233 -7.442 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.549 -2.210 -7.684 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.245 -2.259 -8.242 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.099 -1.233 -8.484 1.00 10.00 C ATOM 863 CZ PHE A 62 3.446 -1.257 -8.765 1.00 10.00 C ATOM 0 H PHE A 62 0.386 -5.300 -4.139 1.00 10.00 H new ATOM 0 HA PHE A 62 3.036 -4.033 -4.654 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.141 -5.252 -6.570 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.655 -4.328 -6.473 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.311 -4.015 -7.037 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.491 -2.188 -7.468 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.303 -2.278 -8.460 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.475 -0.450 -8.890 1.00 10.00 H new ATOM 0 HZ PHE A 62 3.880 -0.494 -9.394 1.00 10.00 H new ATOM 873 N GLN A 63 2.083 -1.908 -3.754 1.00 10.00 N ATOM 874 CA GLN A 63 1.523 -0.739 -3.111 1.00 10.00 C ATOM 875 C GLN A 63 2.375 0.463 -3.439 1.00 10.00 C ATOM 876 O GLN A 63 3.587 0.415 -3.259 1.00 10.00 O ATOM 877 CB GLN A 63 1.583 -1.002 -1.607 1.00 10.00 C ATOM 878 CG GLN A 63 0.553 -0.312 -0.718 1.00 10.00 C ATOM 879 CD GLN A 63 0.548 1.221 -0.675 1.00 10.00 C ATOM 880 OE1 GLN A 63 -0.488 1.826 -0.488 1.00 10.00 O ATOM 881 NE2 GLN A 63 1.688 1.852 -0.802 1.00 10.00 N ATOM 0 H GLN A 63 3.101 -1.964 -3.730 1.00 10.00 H new ATOM 0 HA GLN A 63 0.502 -0.550 -3.443 1.00 10.00 H new ATOM 0 HB2 GLN A 63 1.491 -2.077 -1.452 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.574 -0.713 -1.257 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.436 -0.640 -1.037 1.00 10.00 H new ATOM 0 HG3 GLN A 63 0.696 -0.674 0.300 1.00 10.00 H new ATOM 0 HE21 GLN A 63 2.548 1.326 -0.959 1.00 10.00 H new ATOM 0 HE22 GLN A 63 1.717 2.870 -0.744 1.00 10.00 H new ATOM 890 N TRP A 64 1.788 1.527 -3.911 1.00 10.00 N ATOM 891 CA TRP A 64 2.555 2.720 -4.105 1.00 10.00 C ATOM 892 C TRP A 64 1.708 3.941 -3.774 1.00 10.00 C ATOM 893 O TRP A 64 0.477 3.841 -3.691 1.00 10.00 O ATOM 894 CB TRP A 64 3.141 2.807 -5.519 1.00 10.00 C ATOM 895 CG TRP A 64 2.297 3.357 -6.603 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.607 4.449 -7.337 1.00 10.00 C ATOM 897 CD2 TRP A 64 1.035 2.894 -7.079 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.649 4.689 -8.246 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.655 3.756 -8.114 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.192 1.845 -6.739 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.528 3.597 -8.817 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -0.987 1.695 -7.429 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.337 2.568 -8.456 1.00 10.00 C ATOM 0 H TRP A 64 0.802 1.592 -4.163 1.00 10.00 H new ATOM 0 HA TRP A 64 3.405 2.690 -3.423 1.00 10.00 H new ATOM 0 HB2 TRP A 64 4.046 3.411 -5.465 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.445 1.803 -5.814 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.499 5.044 -7.210 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.660 5.447 -8.928 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.458 1.160 -5.947 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.797 4.266 -9.621 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.654 0.886 -7.170 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.272 2.423 -8.977 1.00 10.00 H new ATOM 914 N LEU A 65 2.339 5.071 -3.592 1.00 10.00 N ATOM 915 CA LEU A 65 1.624 6.289 -3.287 1.00 10.00 C ATOM 916 C LEU A 65 2.302 7.487 -3.911 1.00 10.00 C ATOM 917 O LEU A 65 3.521 7.498 -4.089 1.00 10.00 O ATOM 918 CB LEU A 65 1.465 6.509 -1.772 1.00 10.00 C ATOM 919 CG LEU A 65 2.741 6.720 -0.964 1.00 10.00 C ATOM 920 CD1 LEU A 65 2.391 7.328 0.365 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.502 5.412 -0.736 1.00 10.00 C ATOM 0 H LEU A 65 3.352 5.177 -3.649 1.00 10.00 H new ATOM 0 HA LEU A 65 0.627 6.179 -3.715 1.00 10.00 H new ATOM 0 HB2 LEU A 65 0.822 7.376 -1.622 1.00 10.00 H new ATOM 0 HB3 LEU A 65 0.941 5.648 -1.358 1.00 10.00 H new ATOM 0 HG LEU A 65 3.389 7.386 -1.534 1.00 10.00 H new ATOM 0 HD11 LEU A 65 3.300 7.481 0.946 1.00 10.00 H new ATOM 0 HD12 LEU A 65 1.896 8.286 0.208 1.00 10.00 H new ATOM 0 HD13 LEU A 65 1.722 6.659 0.907 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.403 5.612 -0.156 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.868 4.712 -0.191 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.778 4.979 -1.698 1.00 10.00 H new ATOM 933 N GLU A 66 1.512 8.464 -4.256 1.00 10.00 N ATOM 934 CA GLU A 66 1.966 9.700 -4.818 1.00 10.00 C ATOM 935 C GLU A 66 1.808 10.766 -3.732 1.00 10.00 C ATOM 936 O GLU A 66 0.714 10.942 -3.198 1.00 10.00 O ATOM 937 CB GLU A 66 1.031 10.115 -5.943 1.00 10.00 C ATOM 938 CG GLU A 66 0.708 9.103 -7.021 1.00 10.00 C ATOM 939 CD GLU A 66 -0.311 9.691 -7.991 1.00 10.00 C ATOM 940 OE1 GLU A 66 0.088 10.321 -8.987 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.522 9.578 -7.739 1.00 10.00 O ATOM 0 H GLU A 66 0.499 8.418 -4.149 1.00 10.00 H new ATOM 0 HA GLU A 66 2.990 9.595 -5.177 1.00 10.00 H new ATOM 0 HB2 GLU A 66 0.090 10.432 -5.493 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.463 10.990 -6.428 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.616 8.826 -7.557 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.313 8.192 -6.571 1.00 10.00 H new ATOM 948 N GLY A 67 2.847 11.449 -3.400 1.00 10.00 N ATOM 949 CA GLY A 67 2.737 12.475 -2.407 1.00 10.00 C ATOM 950 C GLY A 67 3.980 13.327 -2.361 1.00 10.00 C ATOM 951 O GLY A 67 4.917 13.043 -3.082 1.00 10.00 O ATOM 0 H GLY A 67 3.779 11.322 -3.794 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.872 13.102 -2.623 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.567 12.022 -1.430 1.00 10.00 H new ATOM 955 N HIS A 68 3.994 14.368 -1.539 1.00 10.00 N ATOM 956 CA HIS A 68 5.220 15.163 -1.339 1.00 10.00 C ATOM 957 C HIS A 68 6.246 14.296 -0.597 1.00 10.00 C ATOM 958 O HIS A 68 5.924 13.766 0.437 1.00 10.00 O ATOM 959 CB HIS A 68 4.911 16.441 -0.522 1.00 10.00 C ATOM 960 CG HIS A 68 6.092 17.184 -0.036 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.634 17.039 1.229 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.835 18.043 -0.658 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.691 17.798 1.329 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.842 18.433 0.187 1.00 10.00 N ATOM 0 H HIS A 68 3.187 14.686 -1.002 1.00 10.00 H new ATOM 0 HA HIS A 68 5.620 15.470 -2.305 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.311 17.110 -1.139 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.299 16.164 0.336 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.687 18.392 -1.669 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.329 17.889 2.196 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.581 19.101 -0.032 1.00 10.00 H new ATOM 973 N PRO A 69 7.514 14.199 -1.119 1.00 10.00 N ATOM 974 CA PRO A 69 8.587 13.280 -0.642 1.00 10.00 C ATOM 975 C PRO A 69 8.598 12.964 0.855 1.00 10.00 C ATOM 976 O PRO A 69 8.565 11.809 1.237 1.00 10.00 O ATOM 977 CB PRO A 69 9.887 13.983 -1.075 1.00 10.00 C ATOM 978 CG PRO A 69 9.447 15.234 -1.784 1.00 10.00 C ATOM 979 CD PRO A 69 8.033 14.996 -2.216 1.00 10.00 C ATOM 0 HA PRO A 69 8.436 12.290 -1.073 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.512 14.219 -0.214 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.478 13.346 -1.733 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.512 16.099 -1.123 1.00 10.00 H new ATOM 0 HG3 PRO A 69 10.087 15.440 -2.642 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.482 15.928 -2.340 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.980 14.466 -3.167 1.00 10.00 H new ATOM 987 N ALA A 70 8.614 13.971 1.693 1.00 10.00 N ATOM 988 CA ALA A 70 8.672 13.723 3.134 1.00 10.00 C ATOM 989 C ALA A 70 7.416 13.125 3.700 1.00 10.00 C ATOM 990 O ALA A 70 7.468 12.410 4.680 1.00 10.00 O ATOM 991 CB ALA A 70 9.089 14.926 3.908 1.00 10.00 C ATOM 0 H ALA A 70 8.589 14.954 1.422 1.00 10.00 H new ATOM 0 HA ALA A 70 9.450 12.968 3.249 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.115 14.684 4.971 1.00 10.00 H new ATOM 0 HB2 ALA A 70 10.081 15.242 3.584 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.377 15.734 3.737 1.00 10.00 H new ATOM 997 N ALA A 71 6.323 13.394 3.091 1.00 10.00 N ATOM 998 CA ALA A 71 5.073 12.833 3.514 1.00 10.00 C ATOM 999 C ALA A 71 5.089 11.368 3.200 1.00 10.00 C ATOM 1000 O ALA A 71 4.644 10.533 3.978 1.00 10.00 O ATOM 1001 CB ALA A 71 3.976 13.463 2.754 1.00 10.00 C ATOM 0 H ALA A 71 6.257 14.010 2.281 1.00 10.00 H new ATOM 0 HA ALA A 71 4.927 13.000 4.581 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.023 13.040 3.072 1.00 10.00 H new ATOM 0 HB2 ALA A 71 3.976 14.537 2.939 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.118 13.278 1.689 1.00 10.00 H new ATOM 1007 N VAL A 72 5.652 11.079 2.048 1.00 10.00 N ATOM 1008 CA VAL A 72 5.782 9.733 1.546 1.00 10.00 C ATOM 1009 C VAL A 72 6.746 8.997 2.444 1.00 10.00 C ATOM 1010 O VAL A 72 6.560 7.839 2.734 1.00 10.00 O ATOM 1011 CB VAL A 72 6.369 9.708 0.112 1.00 10.00 C ATOM 1012 CG1 VAL A 72 5.963 8.491 -0.606 1.00 10.00 C ATOM 1013 CG2 VAL A 72 5.992 10.903 -0.681 1.00 10.00 C ATOM 0 H VAL A 72 6.039 11.787 1.424 1.00 10.00 H new ATOM 0 HA VAL A 72 4.793 9.275 1.527 1.00 10.00 H new ATOM 0 HB VAL A 72 7.453 9.715 0.229 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.390 8.501 -1.609 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.322 7.614 -0.068 1.00 10.00 H new ATOM 0 HG13 VAL A 72 4.876 8.455 -0.674 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.430 10.832 -1.676 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.907 10.956 -0.766 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.361 11.800 -0.185 1.00 10.00 H new ATOM 1023 N ALA A 73 7.773 9.699 2.886 1.00 10.00 N ATOM 1024 CA ALA A 73 8.759 9.139 3.773 1.00 10.00 C ATOM 1025 C ALA A 73 8.247 8.971 5.186 1.00 10.00 C ATOM 1026 O ALA A 73 8.674 8.084 5.878 1.00 10.00 O ATOM 1027 CB ALA A 73 9.997 9.943 3.791 1.00 10.00 C ATOM 0 H ALA A 73 7.941 10.674 2.636 1.00 10.00 H new ATOM 0 HA ALA A 73 8.982 8.149 3.375 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.716 9.488 4.472 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.421 9.981 2.788 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.769 10.955 4.127 1.00 10.00 H new ATOM 1033 N GLU A 74 7.383 9.858 5.619 1.00 10.00 N ATOM 1034 CA GLU A 74 6.701 9.729 6.912 1.00 10.00 C ATOM 1035 C GLU A 74 5.898 8.439 6.857 1.00 10.00 C ATOM 1036 O GLU A 74 5.863 7.651 7.814 1.00 10.00 O ATOM 1037 CB GLU A 74 5.790 10.949 7.125 1.00 10.00 C ATOM 1038 CG GLU A 74 5.161 11.076 8.502 1.00 10.00 C ATOM 1039 CD GLU A 74 4.258 12.290 8.601 1.00 10.00 C ATOM 1040 OE1 GLU A 74 4.750 13.432 8.490 1.00 10.00 O ATOM 1041 OE2 GLU A 74 3.032 12.126 8.773 1.00 10.00 O ATOM 0 H GLU A 74 7.124 10.694 5.095 1.00 10.00 H new ATOM 0 HA GLU A 74 7.403 9.694 7.745 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.370 11.850 6.928 1.00 10.00 H new ATOM 0 HB3 GLU A 74 4.991 10.915 6.384 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.586 10.177 8.723 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.946 11.145 9.255 1.00 10.00 H new ATOM 1048 N VAL A 75 5.301 8.228 5.710 1.00 10.00 N ATOM 1049 CA VAL A 75 4.641 7.005 5.390 1.00 10.00 C ATOM 1050 C VAL A 75 5.666 5.844 5.376 1.00 10.00 C ATOM 1051 O VAL A 75 5.456 4.858 6.051 1.00 10.00 O ATOM 1052 CB VAL A 75 3.882 7.134 4.039 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.444 5.800 3.507 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.673 8.032 4.207 1.00 10.00 C ATOM 0 H VAL A 75 5.265 8.922 4.963 1.00 10.00 H new ATOM 0 HA VAL A 75 3.897 6.782 6.154 1.00 10.00 H new ATOM 0 HB VAL A 75 4.574 7.570 3.319 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.918 5.940 2.562 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.317 5.168 3.346 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.778 5.323 4.226 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.148 8.117 3.256 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.004 7.605 4.954 1.00 10.00 H new ATOM 0 HG23 VAL A 75 2.997 9.021 4.532 1.00 10.00 H new ATOM 1064 N MET A 76 6.774 5.984 4.608 1.00 10.00 N ATOM 1065 CA MET A 76 7.870 5.005 4.582 1.00 10.00 C ATOM 1066 C MET A 76 8.347 4.643 5.963 1.00 10.00 C ATOM 1067 O MET A 76 8.474 3.486 6.256 1.00 10.00 O ATOM 1068 CB MET A 76 9.064 5.515 3.776 1.00 10.00 C ATOM 1069 CG MET A 76 8.805 5.801 2.313 1.00 10.00 C ATOM 1070 SD MET A 76 8.772 4.379 1.218 1.00 10.00 S ATOM 1071 CE MET A 76 7.257 3.606 1.702 1.00 10.00 C ATOM 0 H MET A 76 6.926 6.782 3.991 1.00 10.00 H new ATOM 0 HA MET A 76 7.457 4.116 4.105 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.430 6.429 4.245 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.865 4.779 3.845 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.850 6.319 2.230 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.573 6.489 1.958 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.765 3.188 0.824 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.467 2.808 2.414 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.604 4.345 2.167 1.00 10.00 H new ATOM 1081 N SER A 77 8.600 5.630 6.792 1.00 10.00 N ATOM 1082 CA SER A 77 9.069 5.418 8.146 1.00 10.00 C ATOM 1083 C SER A 77 8.105 4.510 8.912 1.00 10.00 C ATOM 1084 O SER A 77 8.519 3.526 9.519 1.00 10.00 O ATOM 1085 CB SER A 77 9.213 6.774 8.853 1.00 10.00 C ATOM 1086 OG SER A 77 9.802 6.639 10.130 1.00 10.00 O ATOM 0 H SER A 77 8.485 6.613 6.545 1.00 10.00 H new ATOM 0 HA SER A 77 10.041 4.926 8.116 1.00 10.00 H new ATOM 0 HB2 SER A 77 9.821 7.441 8.241 1.00 10.00 H new ATOM 0 HB3 SER A 77 8.232 7.238 8.952 1.00 10.00 H new ATOM 0 HG SER A 77 9.879 7.521 10.549 1.00 10.00 H new ATOM 1092 N HIS A 78 6.820 4.784 8.805 1.00 10.00 N ATOM 1093 CA HIS A 78 5.828 3.933 9.480 1.00 10.00 C ATOM 1094 C HIS A 78 5.668 2.586 8.767 1.00 10.00 C ATOM 1095 O HIS A 78 5.395 1.564 9.381 1.00 10.00 O ATOM 1096 CB HIS A 78 4.475 4.644 9.627 1.00 10.00 C ATOM 1097 CG HIS A 78 4.535 5.833 10.533 1.00 10.00 C ATOM 1098 ND1 HIS A 78 4.122 7.093 10.171 1.00 10.00 N ATOM 1099 CD2 HIS A 78 4.996 5.946 11.793 1.00 10.00 C ATOM 1100 CE1 HIS A 78 4.343 7.922 11.163 1.00 10.00 C ATOM 1101 NE2 HIS A 78 4.870 7.253 12.160 1.00 10.00 N ATOM 0 H HIS A 78 6.433 5.565 8.275 1.00 10.00 H new ATOM 0 HA HIS A 78 6.205 3.736 10.484 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.128 4.961 8.643 1.00 10.00 H new ATOM 0 HB3 HIS A 78 3.739 3.938 10.012 1.00 10.00 H new ATOM 0 HD1 HIS A 78 3.709 7.344 9.273 1.00 10.00 H new ATOM 0 HD2 HIS A 78 5.393 5.147 12.402 1.00 10.00 H new ATOM 0 HE1 HIS A 78 4.127 8.980 11.159 1.00 10.00 H new ATOM 1110 N ILE A 79 5.891 2.602 7.491 1.00 10.00 N ATOM 1111 CA ILE A 79 5.751 1.452 6.633 1.00 10.00 C ATOM 1112 C ILE A 79 6.918 0.440 6.734 1.00 10.00 C ATOM 1113 O ILE A 79 6.699 -0.754 6.819 1.00 10.00 O ATOM 1114 CB ILE A 79 5.474 1.920 5.175 1.00 10.00 C ATOM 1115 CG1 ILE A 79 3.963 2.005 4.899 1.00 10.00 C ATOM 1116 CG2 ILE A 79 6.258 1.182 4.115 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.608 2.345 3.481 1.00 10.00 C ATOM 0 H ILE A 79 6.186 3.442 6.994 1.00 10.00 H new ATOM 0 HA ILE A 79 4.891 0.884 6.986 1.00 10.00 H new ATOM 0 HB ILE A 79 5.868 2.933 5.098 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.505 1.050 5.156 1.00 10.00 H new ATOM 0 HG13 ILE A 79 3.527 2.755 5.559 1.00 10.00 H new ATOM 0 HG21 ILE A 79 6.000 1.575 3.132 1.00 10.00 H new ATOM 0 HG22 ILE A 79 7.325 1.317 4.291 1.00 10.00 H new ATOM 0 HG23 ILE A 79 6.015 0.120 4.156 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.524 2.384 3.377 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.032 3.315 3.222 1.00 10.00 H new ATOM 0 HD13 ILE A 79 4.010 1.583 2.813 1.00 10.00 H new ATOM 1129 N GLN A 80 8.127 0.915 6.670 1.00 10.00 N ATOM 1130 CA GLN A 80 9.324 0.112 6.820 1.00 10.00 C ATOM 1131 C GLN A 80 9.445 -0.467 8.245 1.00 10.00 C ATOM 1132 O GLN A 80 10.155 -1.441 8.485 1.00 10.00 O ATOM 1133 CB GLN A 80 10.529 0.986 6.432 1.00 10.00 C ATOM 1134 CG GLN A 80 10.455 1.472 4.971 1.00 10.00 C ATOM 1135 CD GLN A 80 10.552 0.353 4.037 1.00 10.00 C ATOM 1136 OE1 GLN A 80 11.634 -0.040 3.599 1.00 10.00 O ATOM 1137 NE2 GLN A 80 9.471 -0.162 3.716 1.00 10.00 N ATOM 0 H GLN A 80 8.323 1.903 6.507 1.00 10.00 H new ATOM 0 HA GLN A 80 9.282 -0.755 6.161 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.578 1.848 7.097 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.448 0.418 6.577 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.518 2.004 4.809 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.261 2.180 4.779 1.00 10.00 H new ATOM 0 HE21 GLN A 80 8.599 0.198 4.105 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.453 -0.945 3.063 1.00 10.00 H new ATOM 1146 N ARG A 81 8.716 0.120 9.163 1.00 10.00 N ATOM 1147 CA ARG A 81 8.659 -0.321 10.549 1.00 10.00 C ATOM 1148 C ARG A 81 7.301 -1.001 10.825 1.00 10.00 C ATOM 1149 O ARG A 81 6.718 -0.852 11.899 1.00 10.00 O ATOM 1150 CB ARG A 81 8.848 0.899 11.446 1.00 10.00 C ATOM 1151 CG ARG A 81 10.260 1.472 11.412 1.00 10.00 C ATOM 1152 CD ARG A 81 10.333 2.846 12.069 1.00 10.00 C ATOM 1153 NE ARG A 81 9.682 2.868 13.376 1.00 10.00 N ATOM 1154 CZ ARG A 81 9.686 3.893 14.227 1.00 10.00 C ATOM 1155 NH1 ARG A 81 10.445 4.968 14.001 1.00 10.00 N ATOM 1156 NH2 ARG A 81 8.926 3.831 15.313 1.00 10.00 N ATOM 0 H ARG A 81 8.132 0.934 8.971 1.00 10.00 H new ATOM 0 HA ARG A 81 9.446 -1.047 10.753 1.00 10.00 H new ATOM 0 HB2 ARG A 81 8.144 1.674 11.143 1.00 10.00 H new ATOM 0 HB3 ARG A 81 8.601 0.626 12.472 1.00 10.00 H new ATOM 0 HG2 ARG A 81 10.941 0.790 11.921 1.00 10.00 H new ATOM 0 HG3 ARG A 81 10.597 1.546 10.378 1.00 10.00 H new ATOM 0 HD2 ARG A 81 11.377 3.139 12.180 1.00 10.00 H new ATOM 0 HD3 ARG A 81 9.863 3.583 11.418 1.00 10.00 H new ATOM 0 HE ARG A 81 9.181 2.027 13.662 1.00 10.00 H new ATOM 0 HH11 ARG A 81 11.032 5.012 13.168 1.00 10.00 H new ATOM 0 HH12 ARG A 81 10.438 5.745 14.661 1.00 10.00 H new ATOM 0 HH21 ARG A 81 8.350 3.007 15.486 1.00 10.00 H new ATOM 0 HH22 ARG A 81 8.918 4.607 15.975 1.00 10.00 H new ATOM 1170 N ASP A 82 6.829 -1.771 9.855 1.00 10.00 N ATOM 1171 CA ASP A 82 5.508 -2.422 9.936 1.00 10.00 C ATOM 1172 C ASP A 82 5.628 -3.906 10.365 1.00 10.00 C ATOM 1173 O ASP A 82 6.452 -4.243 11.217 1.00 10.00 O ATOM 1174 CB ASP A 82 4.832 -2.331 8.582 1.00 10.00 C ATOM 1175 CG ASP A 82 3.369 -2.647 8.547 1.00 10.00 C ATOM 1176 OD1 ASP A 82 2.573 -1.864 9.015 1.00 10.00 O ATOM 1177 OD2 ASP A 82 3.033 -3.710 8.014 1.00 10.00 O ATOM 0 H ASP A 82 7.337 -1.968 8.993 1.00 10.00 H new ATOM 0 HA ASP A 82 4.914 -1.908 10.692 1.00 10.00 H new ATOM 0 HB2 ASP A 82 4.973 -1.321 8.197 1.00 10.00 H new ATOM 0 HB3 ASP A 82 5.344 -3.008 7.898 1.00 10.00 H new ATOM 1182 N ARG A 83 4.834 -4.780 9.724 1.00 10.00 N ATOM 1183 CA ARG A 83 4.619 -6.152 10.146 1.00 10.00 C ATOM 1184 C ARG A 83 3.702 -6.919 9.147 1.00 10.00 C ATOM 1185 O ARG A 83 3.872 -8.115 8.940 1.00 10.00 O ATOM 1186 CB ARG A 83 3.935 -6.126 11.513 1.00 10.00 C ATOM 1187 CG ARG A 83 2.657 -5.286 11.525 1.00 10.00 C ATOM 1188 CD ARG A 83 2.023 -5.291 12.905 1.00 10.00 C ATOM 1189 NE ARG A 83 0.707 -4.628 12.941 1.00 10.00 N ATOM 1190 CZ ARG A 83 0.360 -3.674 13.813 1.00 10.00 C ATOM 1191 NH1 ARG A 83 1.265 -3.150 14.630 1.00 10.00 N ATOM 1192 NH2 ARG A 83 -0.890 -3.242 13.860 1.00 10.00 N ATOM 0 H ARG A 83 4.317 -4.535 8.880 1.00 10.00 H new ATOM 0 HA ARG A 83 5.582 -6.662 10.187 1.00 10.00 H new ATOM 0 HB2 ARG A 83 3.696 -7.146 11.813 1.00 10.00 H new ATOM 0 HB3 ARG A 83 4.630 -5.731 12.254 1.00 10.00 H new ATOM 0 HG2 ARG A 83 2.886 -4.262 11.229 1.00 10.00 H new ATOM 0 HG3 ARG A 83 1.951 -5.679 10.794 1.00 10.00 H new ATOM 0 HD2 ARG A 83 1.913 -6.321 13.244 1.00 10.00 H new ATOM 0 HD3 ARG A 83 2.692 -4.794 13.607 1.00 10.00 H new ATOM 0 HE ARG A 83 0.012 -4.917 12.253 1.00 10.00 H new ATOM 0 HH11 ARG A 83 2.232 -3.474 14.596 1.00 10.00 H new ATOM 0 HH12 ARG A 83 0.994 -2.423 15.292 1.00 10.00 H new ATOM 0 HH21 ARG A 83 -1.590 -3.636 13.231 1.00 10.00 H new ATOM 0 HH22 ARG A 83 -1.154 -2.515 14.525 1.00 10.00 H new ATOM 1206 N ARG A 84 2.755 -6.205 8.522 1.00 10.00 N ATOM 1207 CA ARG A 84 1.742 -6.794 7.651 1.00 10.00 C ATOM 1208 C ARG A 84 2.309 -7.075 6.282 1.00 10.00 C ATOM 1209 O ARG A 84 2.144 -8.126 5.710 1.00 10.00 O ATOM 1210 CB ARG A 84 0.552 -5.829 7.454 1.00 10.00 C ATOM 1211 CG ARG A 84 -0.157 -5.338 8.711 1.00 10.00 C ATOM 1212 CD ARG A 84 0.181 -3.889 9.012 1.00 10.00 C ATOM 1213 NE ARG A 84 -0.641 -3.345 10.076 1.00 10.00 N ATOM 1214 CZ ARG A 84 -0.687 -2.068 10.439 1.00 10.00 C ATOM 1215 NH1 ARG A 84 0.267 -1.230 10.065 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -1.650 -1.660 11.255 1.00 10.00 N ATOM 0 H ARG A 84 2.675 -5.192 8.611 1.00 10.00 H new ATOM 0 HA ARG A 84 1.414 -7.716 8.131 1.00 10.00 H new ATOM 0 HB2 ARG A 84 0.910 -4.958 6.905 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -0.185 -6.324 6.821 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -1.235 -5.443 8.586 1.00 10.00 H new ATOM 0 HG3 ARG A 84 0.128 -5.962 9.558 1.00 10.00 H new ATOM 0 HD2 ARG A 84 1.232 -3.813 9.292 1.00 10.00 H new ATOM 0 HD3 ARG A 84 0.047 -3.292 8.110 1.00 10.00 H new ATOM 0 HE ARG A 84 -1.234 -3.998 10.589 1.00 10.00 H new ATOM 0 HH11 ARG A 84 1.044 -1.564 9.494 1.00 10.00 H new ATOM 0 HH12 ARG A 84 0.225 -0.251 10.347 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -2.345 -2.324 11.597 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -1.696 -0.682 11.541 1.00 10.00 H new ATOM 1230 N HIS A 85 2.959 -6.129 5.773 1.00 10.00 N ATOM 1231 CA HIS A 85 3.503 -6.196 4.457 1.00 10.00 C ATOM 1232 C HIS A 85 4.898 -6.725 4.497 1.00 10.00 C ATOM 1233 O HIS A 85 5.850 -5.986 4.590 1.00 10.00 O ATOM 1234 CB HIS A 85 3.358 -4.890 3.668 1.00 10.00 C ATOM 1235 CG HIS A 85 3.859 -3.632 4.317 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.756 -2.423 3.726 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.487 -3.391 5.489 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.297 -1.540 4.488 1.00 10.00 C ATOM 1239 NE2 HIS A 85 4.732 -2.088 5.539 1.00 10.00 N ATOM 0 H HIS A 85 3.146 -5.250 6.255 1.00 10.00 H new ATOM 0 HA HIS A 85 2.904 -6.907 3.889 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.880 -5.010 2.719 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.302 -4.752 3.436 1.00 10.00 H new ATOM 0 HD2 HIS A 85 4.741 -4.121 6.243 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.369 -0.486 4.263 1.00 10.00 H new ATOM 0 HE2 HIS A 85 5.199 -1.605 6.306 1.00 10.00 H new ATOM 1248 N SER A 86 4.944 -8.016 4.314 1.00 10.00 N ATOM 1249 CA SER A 86 6.046 -8.928 4.572 1.00 10.00 C ATOM 1250 C SER A 86 7.473 -8.367 4.525 1.00 10.00 C ATOM 1251 O SER A 86 8.258 -8.590 5.437 1.00 10.00 O ATOM 1252 CB SER A 86 5.863 -10.139 3.701 1.00 10.00 C ATOM 1253 OG SER A 86 6.589 -11.260 4.177 1.00 10.00 O ATOM 0 H SER A 86 4.134 -8.514 3.944 1.00 10.00 H new ATOM 0 HA SER A 86 5.978 -9.180 5.630 1.00 10.00 H new ATOM 0 HB2 SER A 86 4.804 -10.390 3.650 1.00 10.00 H new ATOM 0 HB3 SER A 86 6.184 -9.905 2.686 1.00 10.00 H new ATOM 0 HG SER A 86 6.439 -12.024 3.581 1.00 10.00 H new ATOM 1259 N ASN A 87 7.783 -7.644 3.514 1.00 10.00 N ATOM 1260 CA ASN A 87 9.152 -7.130 3.371 1.00 10.00 C ATOM 1261 C ASN A 87 9.180 -5.663 3.189 1.00 10.00 C ATOM 1262 O ASN A 87 10.114 -4.994 3.588 1.00 10.00 O ATOM 1263 CB ASN A 87 9.960 -7.758 2.219 1.00 10.00 C ATOM 1264 CG ASN A 87 9.947 -9.261 2.114 1.00 10.00 C ATOM 1265 OD1 ASN A 87 9.781 -9.982 3.083 1.00 10.00 O ATOM 1266 ND2 ASN A 87 10.155 -9.742 0.916 1.00 10.00 N ATOM 0 H ASN A 87 7.140 -7.381 2.767 1.00 10.00 H new ATOM 0 HA ASN A 87 9.624 -7.415 4.311 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.585 -7.350 1.280 1.00 10.00 H new ATOM 0 HB3 ASN A 87 10.996 -7.434 2.316 1.00 10.00 H new ATOM 0 HD21 ASN A 87 10.182 -10.751 0.769 1.00 10.00 H new ATOM 0 HD22 ASN A 87 10.290 -9.108 0.128 1.00 10.00 H new ATOM 1273 N VAL A 88 8.124 -5.191 2.673 1.00 10.00 N ATOM 1274 CA VAL A 88 7.993 -3.879 2.158 1.00 10.00 C ATOM 1275 C VAL A 88 9.204 -3.314 1.454 1.00 10.00 C ATOM 1276 O VAL A 88 9.891 -2.403 1.933 1.00 10.00 O ATOM 1277 CB VAL A 88 7.197 -2.912 3.035 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.760 -2.711 4.387 1.00 10.00 C ATOM 1279 CG2 VAL A 88 6.948 -1.601 2.371 1.00 10.00 C ATOM 0 H VAL A 88 7.267 -5.738 2.589 1.00 10.00 H new ATOM 0 HA VAL A 88 7.322 -4.022 1.311 1.00 10.00 H new ATOM 0 HB VAL A 88 6.238 -3.412 3.171 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.134 -2.011 4.941 1.00 10.00 H new ATOM 0 HG12 VAL A 88 7.792 -3.665 4.913 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.769 -2.308 4.305 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.379 -0.956 3.041 1.00 10.00 H new ATOM 0 HG22 VAL A 88 7.900 -1.127 2.133 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.382 -1.760 1.453 1.00 10.00 H new ATOM 1289 N GLU A 89 9.462 -3.906 0.335 1.00 10.00 N ATOM 1290 CA GLU A 89 10.548 -3.533 -0.505 1.00 10.00 C ATOM 1291 C GLU A 89 10.083 -2.519 -1.485 1.00 10.00 C ATOM 1292 O GLU A 89 9.415 -2.861 -2.461 1.00 10.00 O ATOM 1293 CB GLU A 89 11.079 -4.742 -1.219 1.00 10.00 C ATOM 1294 CG GLU A 89 11.741 -5.718 -0.308 1.00 10.00 C ATOM 1295 CD GLU A 89 11.857 -7.089 -0.904 1.00 10.00 C ATOM 1296 OE1 GLU A 89 10.817 -7.781 -1.044 1.00 10.00 O ATOM 1297 OE2 GLU A 89 12.975 -7.514 -1.259 1.00 10.00 O ATOM 0 H GLU A 89 8.908 -4.682 -0.028 1.00 10.00 H new ATOM 0 HA GLU A 89 11.349 -3.107 0.099 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.259 -5.238 -1.739 1.00 10.00 H new ATOM 0 HB3 GLU A 89 11.792 -4.423 -1.979 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.736 -5.353 -0.054 1.00 10.00 H new ATOM 0 HG3 GLU A 89 11.177 -5.779 0.623 1.00 10.00 H new ATOM 1304 N ILE A 90 10.285 -1.279 -1.106 1.00 10.00 N ATOM 1305 CA ILE A 90 10.077 -0.110 -1.951 1.00 10.00 C ATOM 1306 C ILE A 90 10.749 -0.380 -3.263 1.00 10.00 C ATOM 1307 O ILE A 90 10.117 -0.750 -4.242 1.00 10.00 O ATOM 1308 CB ILE A 90 10.663 1.188 -1.274 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.528 1.131 0.246 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.961 2.469 -1.760 1.00 10.00 C ATOM 1311 CD1 ILE A 90 9.121 0.937 0.722 1.00 10.00 C ATOM 0 H ILE A 90 10.610 -1.040 -0.169 1.00 10.00 H new ATOM 0 HA ILE A 90 9.012 0.066 -2.099 1.00 10.00 H new ATOM 0 HB ILE A 90 11.714 1.221 -1.561 1.00 10.00 H new ATOM 0 HG12 ILE A 90 11.145 0.317 0.626 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.921 2.054 0.671 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.400 3.335 -1.265 1.00 10.00 H new ATOM 0 HG22 ILE A 90 10.086 2.566 -2.838 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.899 2.415 -1.521 1.00 10.00 H new ATOM 0 HD11 ILE A 90 9.106 0.907 1.811 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.502 1.764 0.374 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.730 -0.001 0.328 1.00 10.00 H new ATOM 1323 N LEU A 91 12.019 -0.278 -3.239 1.00 10.00 N ATOM 1324 CA LEU A 91 12.899 -0.556 -4.352 1.00 10.00 C ATOM 1325 C LEU A 91 12.730 0.432 -5.525 1.00 10.00 C ATOM 1326 O LEU A 91 13.585 0.485 -6.411 1.00 10.00 O ATOM 1327 CB LEU A 91 12.784 -2.032 -4.802 1.00 10.00 C ATOM 1328 CG LEU A 91 13.178 -3.104 -3.756 1.00 10.00 C ATOM 1329 CD1 LEU A 91 12.945 -4.488 -4.326 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.644 -2.952 -3.355 1.00 10.00 C ATOM 0 H LEU A 91 12.523 0.018 -2.403 1.00 10.00 H new ATOM 0 HA LEU A 91 13.916 -0.400 -3.991 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.754 -2.216 -5.109 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.409 -2.170 -5.684 1.00 10.00 H new ATOM 0 HG LEU A 91 12.559 -2.967 -2.870 1.00 10.00 H new ATOM 0 HD11 LEU A 91 13.224 -5.238 -3.586 1.00 10.00 H new ATOM 0 HD12 LEU A 91 11.892 -4.604 -4.581 1.00 10.00 H new ATOM 0 HD13 LEU A 91 13.552 -4.619 -5.222 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.901 -3.714 -2.620 1.00 10.00 H new ATOM 0 HD22 LEU A 91 15.276 -3.069 -4.235 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.803 -1.964 -2.924 1.00 10.00 H new ATOM 1342 N ALA A 92 11.641 1.212 -5.536 1.00 10.00 N ATOM 1343 CA ALA A 92 11.454 2.208 -6.568 1.00 10.00 C ATOM 1344 C ALA A 92 10.891 3.476 -5.984 1.00 10.00 C ATOM 1345 O ALA A 92 9.766 3.503 -5.507 1.00 10.00 O ATOM 1346 CB ALA A 92 10.529 1.691 -7.658 1.00 10.00 C ATOM 0 H ALA A 92 10.892 1.165 -4.846 1.00 10.00 H new ATOM 0 HA ALA A 92 12.429 2.421 -7.007 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.404 2.458 -8.423 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.961 0.797 -8.108 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.558 1.447 -7.226 1.00 10.00 H new ATOM 1352 N GLU A 93 11.666 4.518 -6.008 1.00 10.00 N ATOM 1353 CA GLU A 93 11.196 5.799 -5.564 1.00 10.00 C ATOM 1354 C GLU A 93 11.451 6.802 -6.662 1.00 10.00 C ATOM 1355 O GLU A 93 12.595 7.136 -6.960 1.00 10.00 O ATOM 1356 CB GLU A 93 11.875 6.239 -4.271 1.00 10.00 C ATOM 1357 CG GLU A 93 11.721 5.285 -3.138 1.00 10.00 C ATOM 1358 CD GLU A 93 12.361 5.789 -1.885 1.00 10.00 C ATOM 1359 OE1 GLU A 93 11.746 6.613 -1.184 1.00 10.00 O ATOM 1360 OE2 GLU A 93 13.491 5.372 -1.557 1.00 10.00 O ATOM 0 H GLU A 93 12.633 4.507 -6.332 1.00 10.00 H new ATOM 0 HA GLU A 93 10.130 5.731 -5.349 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.938 6.385 -4.465 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.470 7.206 -3.973 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.661 5.107 -2.956 1.00 10.00 H new ATOM 0 HG3 GLU A 93 12.163 4.326 -3.410 1.00 10.00 H new ATOM 1367 N GLU A 94 10.397 7.266 -7.254 1.00 10.00 N ATOM 1368 CA GLU A 94 10.479 8.170 -8.369 1.00 10.00 C ATOM 1369 C GLU A 94 9.863 9.519 -8.018 1.00 10.00 C ATOM 1370 O GLU A 94 8.836 9.585 -7.344 1.00 10.00 O ATOM 1371 CB GLU A 94 9.775 7.552 -9.598 1.00 10.00 C ATOM 1372 CG GLU A 94 8.354 7.066 -9.312 1.00 10.00 C ATOM 1373 CD GLU A 94 7.608 6.611 -10.539 1.00 10.00 C ATOM 1374 OE1 GLU A 94 7.194 7.472 -11.358 1.00 10.00 O ATOM 1375 OE2 GLU A 94 7.410 5.396 -10.703 1.00 10.00 O ATOM 0 H GLU A 94 9.444 7.029 -6.979 1.00 10.00 H new ATOM 0 HA GLU A 94 11.529 8.334 -8.610 1.00 10.00 H new ATOM 0 HB2 GLU A 94 9.742 8.292 -10.397 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.369 6.715 -9.963 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.398 6.243 -8.599 1.00 10.00 H new ATOM 0 HG3 GLU A 94 7.794 7.871 -8.835 1.00 10.00 H new ATOM 1382 N SER A 95 10.503 10.572 -8.430 1.00 10.00 N ATOM 1383 CA SER A 95 9.989 11.902 -8.247 1.00 10.00 C ATOM 1384 C SER A 95 8.942 12.156 -9.320 1.00 10.00 C ATOM 1385 O SER A 95 9.226 12.043 -10.519 1.00 10.00 O ATOM 1386 CB SER A 95 11.142 12.891 -8.310 1.00 10.00 C ATOM 1387 OG SER A 95 12.139 12.521 -7.360 1.00 10.00 O ATOM 0 H SER A 95 11.404 10.535 -8.907 1.00 10.00 H new ATOM 0 HA SER A 95 9.513 12.022 -7.274 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.568 12.906 -9.313 1.00 10.00 H new ATOM 0 HB3 SER A 95 10.782 13.899 -8.102 1.00 10.00 H new ATOM 0 HG SER A 95 12.883 13.158 -7.402 1.00 10.00 H new ATOM 1393 N ILE A 96 7.727 12.445 -8.898 1.00 10.00 N ATOM 1394 CA ILE A 96 6.618 12.535 -9.837 1.00 10.00 C ATOM 1395 C ILE A 96 5.978 13.897 -9.939 1.00 10.00 C ATOM 1396 O ILE A 96 6.297 14.825 -9.186 1.00 10.00 O ATOM 1397 CB ILE A 96 5.522 11.539 -9.508 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.919 11.857 -8.159 1.00 10.00 C ATOM 1399 CG2 ILE A 96 6.075 10.131 -9.558 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.695 11.118 -7.830 1.00 10.00 C ATOM 0 H ILE A 96 7.480 12.620 -7.924 1.00 10.00 H new ATOM 0 HA ILE A 96 7.083 12.312 -10.797 1.00 10.00 H new ATOM 0 HB ILE A 96 4.727 11.612 -10.250 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.664 11.655 -7.389 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.701 12.924 -8.119 1.00 10.00 H new ATOM 0 HG21 ILE A 96 5.283 9.420 -9.321 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.459 9.926 -10.557 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.882 10.031 -8.832 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.343 11.418 -6.843 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.927 11.338 -8.572 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.905 10.048 -7.831 1.00 10.00 H new ATOM 1412 N ALA A 97 5.064 14.018 -10.895 1.00 10.00 N ATOM 1413 CA ALA A 97 4.254 15.221 -11.046 1.00 10.00 C ATOM 1414 C ALA A 97 2.880 14.962 -10.569 1.00 10.00 C ATOM 1415 O ALA A 97 2.015 15.851 -10.544 1.00 10.00 O ATOM 1416 CB ALA A 97 4.188 15.657 -12.444 1.00 10.00 C ATOM 0 H ALA A 97 4.864 13.291 -11.582 1.00 10.00 H new ATOM 0 HA ALA A 97 4.724 16.008 -10.456 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.576 16.556 -12.516 1.00 10.00 H new ATOM 0 HB2 ALA A 97 5.193 15.873 -12.806 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.746 14.867 -13.051 1.00 10.00 H new ATOM 1422 N LYS A 98 2.735 13.759 -10.157 1.00 10.00 N ATOM 1423 CA LYS A 98 1.566 13.184 -9.673 1.00 10.00 C ATOM 1424 C LYS A 98 0.416 13.262 -10.689 1.00 10.00 C ATOM 1425 O LYS A 98 0.662 13.409 -11.908 1.00 10.00 O ATOM 1426 CB LYS A 98 1.302 13.862 -8.390 1.00 10.00 C ATOM 1427 CG LYS A 98 0.481 13.127 -7.460 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.680 13.891 -6.949 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.378 14.297 -5.580 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.562 14.841 -4.875 1.00 10.00 N ATOM 0 H LYS A 98 3.514 13.101 -10.156 1.00 10.00 H new ATOM 0 HA LYS A 98 1.666 12.111 -9.511 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.256 14.082 -7.911 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.821 14.818 -8.596 1.00 10.00 H new ATOM 0 HG2 LYS A 98 0.121 12.220 -7.946 1.00 10.00 H new ATOM 0 HG3 LYS A 98 1.096 12.813 -6.617 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.868 14.764 -7.574 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.582 13.279 -6.976 1.00 10.00 H new ATOM 0 HE2 LYS A 98 0.008 13.441 -5.027 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.410 15.050 -5.593 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -1.540 14.543 -3.879 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -1.550 15.880 -4.926 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -2.429 14.482 -5.324 1.00 10.00 H new ATOM 1444 N ARG A 99 -0.785 13.035 -10.198 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.031 13.170 -10.922 1.00 10.00 C ATOM 1446 C ARG A 99 -2.385 11.883 -11.656 1.00 10.00 C ATOM 1447 O ARG A 99 -3.036 11.875 -12.718 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.065 14.454 -11.794 1.00 10.00 C ATOM 1449 CG ARG A 99 -3.433 14.819 -12.355 1.00 10.00 C ATOM 1450 CD ARG A 99 -3.368 16.099 -13.158 1.00 10.00 C ATOM 1451 NE ARG A 99 -2.437 16.003 -14.295 1.00 10.00 N ATOM 1452 CZ ARG A 99 -1.558 16.958 -14.647 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -1.496 18.096 -13.957 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -0.763 16.778 -15.710 1.00 10.00 N ATOM 0 H ARG A 99 -0.925 12.736 -9.233 1.00 10.00 H new ATOM 0 HA ARG A 99 -2.835 13.317 -10.201 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.700 15.290 -11.197 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -1.371 14.329 -12.625 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -3.799 14.009 -12.985 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -4.146 14.934 -11.538 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.364 16.344 -13.527 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -3.059 16.917 -12.507 1.00 10.00 H new ATOM 0 HE ARG A 99 -2.461 15.151 -14.856 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -2.116 18.244 -13.160 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -0.829 18.819 -14.225 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -0.824 15.916 -16.253 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -0.096 17.502 -15.977 1.00 10.00 H new ATOM 1468 N ARG A 100 -1.983 10.793 -11.060 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.370 9.490 -11.521 1.00 10.00 C ATOM 1470 C ARG A 100 -3.654 9.124 -10.799 1.00 10.00 C ATOM 1471 O ARG A 100 -4.597 8.589 -11.390 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.280 8.492 -11.196 1.00 10.00 C ATOM 1473 CG ARG A 100 0.052 8.841 -11.822 1.00 10.00 C ATOM 1474 CD ARG A 100 1.158 7.967 -11.254 1.00 10.00 C ATOM 1475 NE ARG A 100 2.425 8.080 -11.998 1.00 10.00 N ATOM 1476 CZ ARG A 100 3.645 7.833 -11.493 1.00 10.00 C ATOM 1477 NH1 ARG A 100 3.818 7.728 -10.179 1.00 10.00 N ATOM 1478 NH2 ARG A 100 4.701 7.750 -12.299 1.00 10.00 N ATOM 0 H ARG A 100 -1.377 10.785 -10.240 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.524 9.482 -12.600 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.161 8.432 -10.114 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.587 7.504 -11.538 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.003 8.710 -12.903 1.00 10.00 H new ATOM 0 HG3 ARG A 100 0.281 9.891 -11.639 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.330 8.240 -10.213 1.00 10.00 H new ATOM 0 HD3 ARG A 100 0.831 6.927 -11.261 1.00 10.00 H new ATOM 0 HE ARG A 100 2.371 8.369 -12.975 1.00 10.00 H new ATOM 0 HH11 ARG A 100 3.022 7.835 -9.550 1.00 10.00 H new ATOM 0 HH12 ARG A 100 4.746 7.540 -9.800 1.00 10.00 H new ATOM 0 HH21 ARG A 100 4.586 7.874 -13.305 1.00 10.00 H new ATOM 0 HH22 ARG A 100 5.625 7.562 -11.911 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.684 9.415 -9.513 1.00 10.00 N ATOM 1493 CA PHE A 101 -4.845 9.220 -8.694 1.00 10.00 C ATOM 1494 C PHE A 101 -5.143 10.504 -7.938 1.00 10.00 C ATOM 1495 O PHE A 101 -4.307 11.406 -7.874 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.644 8.044 -7.708 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.604 6.683 -8.364 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.491 6.269 -9.075 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.688 5.828 -8.276 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -3.462 5.037 -9.684 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -5.660 4.587 -8.886 1.00 10.00 C ATOM 1502 CZ PHE A 101 -4.540 4.195 -9.591 1.00 10.00 C ATOM 0 H PHE A 101 -2.885 9.799 -9.008 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.690 8.969 -9.335 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.714 8.198 -7.161 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.451 8.058 -6.975 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.634 6.922 -9.152 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -6.565 6.133 -7.725 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -2.587 4.731 -10.238 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -6.512 3.927 -8.811 1.00 10.00 H new ATOM 0 HZ PHE A 101 -4.513 3.227 -10.069 1.00 10.00 H new ATOM 1512 N ALA A 102 -6.326 10.588 -7.393 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.741 11.736 -6.614 1.00 10.00 C ATOM 1514 C ALA A 102 -7.037 11.303 -5.185 1.00 10.00 C ATOM 1515 O ALA A 102 -7.297 12.129 -4.304 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.952 12.410 -7.244 1.00 10.00 C ATOM 0 H ALA A 102 -7.037 9.861 -7.474 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.932 12.466 -6.599 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -8.245 13.269 -6.641 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -7.700 12.742 -8.251 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -8.779 11.701 -7.292 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.997 10.006 -4.975 1.00 10.00 N ATOM 1523 CA GLY A 103 -7.168 9.431 -3.674 1.00 10.00 C ATOM 1524 C GLY A 103 -6.436 8.117 -3.617 1.00 10.00 C ATOM 1525 O GLY A 103 -6.168 7.532 -4.669 1.00 10.00 O ATOM 0 H GLY A 103 -6.843 9.321 -5.714 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.785 10.108 -2.910 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.227 9.281 -3.465 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.064 7.669 -2.441 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.442 6.362 -2.286 1.00 10.00 C ATOM 1531 C TRP A 104 -6.505 5.269 -2.288 1.00 10.00 C ATOM 1532 O TRP A 104 -7.612 5.470 -1.789 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.532 6.338 -1.042 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.062 4.990 -0.576 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -2.871 4.374 -0.818 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -4.798 4.114 0.251 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -2.852 3.155 -0.199 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.033 2.983 0.465 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.047 4.192 0.821 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -4.503 1.940 1.242 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -6.504 3.211 1.553 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -5.757 2.097 1.773 1.00 10.00 C ATOM 0 H TRP A 104 -6.179 8.188 -1.570 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.792 6.161 -3.137 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.655 6.951 -1.250 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.066 6.815 -0.220 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.066 4.785 -1.408 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.083 2.485 -0.228 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -6.655 5.071 0.662 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -3.915 1.052 1.420 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -7.489 3.286 1.989 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.166 1.308 2.387 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.183 4.141 -2.881 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.120 3.062 -3.023 1.00 10.00 C ATOM 1555 C HIS A 105 -6.558 1.809 -2.435 1.00 10.00 C ATOM 1556 O HIS A 105 -5.362 1.586 -2.484 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.424 2.852 -4.503 1.00 10.00 C ATOM 1558 CG HIS A 105 -8.256 3.933 -5.110 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -7.729 5.120 -5.569 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -9.590 4.013 -5.321 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -8.703 5.872 -6.028 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.833 5.231 -5.893 1.00 10.00 N ATOM 0 H HIS A 105 -5.262 3.951 -3.277 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.039 3.312 -2.493 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.484 2.780 -5.050 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -7.938 1.899 -4.626 1.00 10.00 H new ATOM 0 HD1 HIS A 105 -6.741 5.374 -5.555 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -10.324 3.258 -5.083 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -8.588 6.860 -6.449 1.00 10.00 H new ATOM 1571 N MET A 106 -7.403 0.998 -1.887 1.00 10.00 N ATOM 1572 CA MET A 106 -6.975 -0.250 -1.339 1.00 10.00 C ATOM 1573 C MET A 106 -7.410 -1.296 -2.351 1.00 10.00 C ATOM 1574 O MET A 106 -8.126 -0.970 -3.296 1.00 10.00 O ATOM 1575 CB MET A 106 -7.654 -0.486 0.037 1.00 10.00 C ATOM 1576 CG MET A 106 -6.860 -1.349 1.054 1.00 10.00 C ATOM 1577 SD MET A 106 -6.617 -3.084 0.592 1.00 10.00 S ATOM 1578 CE MET A 106 -5.588 -3.674 1.935 1.00 10.00 C ATOM 0 H MET A 106 -8.404 1.179 -1.806 1.00 10.00 H new ATOM 0 HA MET A 106 -5.899 -0.285 -1.167 1.00 10.00 H new ATOM 0 HB2 MET A 106 -7.852 0.484 0.492 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.620 -0.961 -0.135 1.00 10.00 H new ATOM 0 HG2 MET A 106 -5.882 -0.892 1.205 1.00 10.00 H new ATOM 0 HG3 MET A 106 -7.378 -1.317 2.012 1.00 10.00 H new ATOM 0 HE1 MET A 106 -5.360 -4.729 1.782 1.00 10.00 H new ATOM 0 HE2 MET A 106 -4.661 -3.102 1.961 1.00 10.00 H new ATOM 0 HE3 MET A 106 -6.117 -3.551 2.880 1.00 10.00 H new ATOM 1588 N GLN A 107 -6.971 -2.491 -2.207 1.00 10.00 N ATOM 1589 CA GLN A 107 -7.432 -3.545 -3.061 1.00 10.00 C ATOM 1590 C GLN A 107 -8.787 -3.995 -2.552 1.00 10.00 C ATOM 1591 O GLN A 107 -9.715 -4.230 -3.323 1.00 10.00 O ATOM 1592 CB GLN A 107 -6.446 -4.716 -3.063 1.00 10.00 C ATOM 1593 CG GLN A 107 -6.845 -5.889 -3.955 1.00 10.00 C ATOM 1594 CD GLN A 107 -6.879 -5.562 -5.448 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -7.140 -4.439 -5.872 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -6.611 -6.546 -6.246 1.00 10.00 N ATOM 0 H GLN A 107 -6.289 -2.775 -1.504 1.00 10.00 H new ATOM 0 HA GLN A 107 -7.511 -3.185 -4.087 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -5.470 -4.350 -3.383 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -6.331 -5.078 -2.041 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -6.146 -6.709 -3.791 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -7.830 -6.243 -3.650 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -6.398 -7.468 -5.865 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -6.613 -6.399 -7.255 1.00 10.00 H new ATOM 1605 N LEU A 108 -8.916 -4.054 -1.236 1.00 10.00 N ATOM 1606 CA LEU A 108 -10.138 -4.481 -0.629 1.00 10.00 C ATOM 1607 C LEU A 108 -11.035 -3.258 -0.397 1.00 10.00 C ATOM 1608 O LEU A 108 -11.168 -2.744 0.716 1.00 10.00 O ATOM 1609 CB LEU A 108 -9.874 -5.287 0.679 1.00 10.00 C ATOM 1610 CG LEU A 108 -10.975 -6.287 1.167 1.00 10.00 C ATOM 1611 CD1 LEU A 108 -12.295 -5.610 1.514 1.00 10.00 C ATOM 1612 CD2 LEU A 108 -11.195 -7.394 0.137 1.00 10.00 C ATOM 0 H LEU A 108 -8.178 -3.807 -0.577 1.00 10.00 H new ATOM 0 HA LEU A 108 -10.658 -5.166 -1.299 1.00 10.00 H new ATOM 0 HB2 LEU A 108 -8.950 -5.849 0.543 1.00 10.00 H new ATOM 0 HB3 LEU A 108 -9.696 -4.571 1.481 1.00 10.00 H new ATOM 0 HG LEU A 108 -10.600 -6.725 2.092 1.00 10.00 H new ATOM 0 HD11 LEU A 108 -13.013 -6.361 1.845 1.00 10.00 H new ATOM 0 HD12 LEU A 108 -12.134 -4.886 2.312 1.00 10.00 H new ATOM 0 HD13 LEU A 108 -12.684 -5.099 0.634 1.00 10.00 H new ATOM 0 HD21 LEU A 108 -11.964 -8.078 0.496 1.00 10.00 H new ATOM 0 HD22 LEU A 108 -11.514 -6.954 -0.808 1.00 10.00 H new ATOM 0 HD23 LEU A 108 -10.264 -7.941 -0.013 1.00 10.00 H new ATOM 1624 N SER A 109 -11.502 -2.727 -1.485 0.20 90.00 N ATOM 1625 CA SER A 109 -12.521 -1.711 -1.488 0.20 90.00 C ATOM 1626 C SER A 109 -13.806 -2.416 -1.926 0.20 90.00 C ATOM 1627 O SER A 109 -14.930 -2.008 -1.611 0.20 90.00 O ATOM 1628 CB SER A 109 -12.128 -0.608 -2.476 0.20 90.00 C ATOM 1629 OG SER A 109 -10.829 -0.103 -2.159 0.20 90.00 O ATOM 0 H SER A 109 -11.182 -2.990 -2.417 0.20 90.00 H new ATOM 0 HA SER A 109 -12.652 -1.242 -0.513 0.20 90.00 H new ATOM 0 HB2 SER A 109 -12.136 -1.001 -3.493 0.20 90.00 H new ATOM 0 HB3 SER A 109 -12.859 0.200 -2.441 0.20 90.00 H new ATOM 0 HG SER A 109 -10.151 -0.613 -2.649 0.20 90.00 H new ATOM 1635 N CYS A 110 -13.570 -3.501 -2.639 0.20 90.00 N ATOM 1636 CA CYS A 110 -14.510 -4.451 -3.132 0.20 90.00 C ATOM 1637 C CYS A 110 -13.654 -5.334 -4.015 0.20 90.00 C ATOM 1638 O CYS A 110 -12.443 -5.094 -4.088 0.20 90.00 O ATOM 1639 CB CYS A 110 -15.631 -3.792 -3.955 0.20 90.00 C ATOM 1640 SG CYS A 110 -17.010 -4.901 -4.338 0.20 90.00 S ATOM 0 H CYS A 110 -12.617 -3.750 -2.905 0.20 90.00 H new ATOM 0 HA CYS A 110 -15.025 -4.982 -2.331 0.20 90.00 H new ATOM 0 HB2 CYS A 110 -16.012 -2.930 -3.407 0.20 90.00 H new ATOM 0 HB3 CYS A 110 -15.210 -3.416 -4.888 0.20 90.00 H new ATOM 0 HG CYS A 110 -17.904 -4.259 -5.030 0.20 90.00 H new ATOM 1646 N SER A 111 -14.215 -6.310 -4.648 0.20 90.00 N ATOM 1647 CA SER A 111 -13.466 -7.169 -5.524 0.20 90.00 C ATOM 1648 C SER A 111 -14.428 -7.938 -6.380 0.20 90.00 C ATOM 1649 O SER A 111 -15.640 -7.675 -6.334 0.20 90.00 O ATOM 1650 CB SER A 111 -12.551 -8.116 -4.720 0.20 90.00 C ATOM 1651 OG SER A 111 -13.281 -8.828 -3.729 0.20 90.00 O ATOM 0 H SER A 111 -15.206 -6.540 -4.577 0.20 90.00 H new ATOM 0 HA SER A 111 -12.818 -6.567 -6.161 0.20 90.00 H new ATOM 0 HB2 SER A 111 -12.071 -8.822 -5.398 0.20 90.00 H new ATOM 0 HB3 SER A 111 -11.757 -7.540 -4.245 0.20 90.00 H new ATOM 0 HG SER A 111 -12.674 -9.420 -3.238 0.20 90.00 H new ATOM 1657 N GLU A 112 -13.900 -8.866 -7.150 0.20 90.00 N ATOM 1658 CA GLU A 112 -14.674 -9.732 -8.010 0.20 90.00 C ATOM 1659 C GLU A 112 -15.694 -10.468 -7.158 0.20 90.00 C ATOM 1660 O GLU A 112 -16.895 -10.427 -7.421 0.20 90.00 O ATOM 1661 CB GLU A 112 -13.742 -10.747 -8.705 0.20 90.00 C ATOM 1662 CG GLU A 112 -12.694 -10.151 -9.668 0.20 90.00 C ATOM 1663 CD GLU A 112 -11.750 -9.160 -9.024 0.20 90.00 C ATOM 1664 OE1 GLU A 112 -11.128 -9.488 -8.001 0.20 90.00 O ATOM 1665 OE2 GLU A 112 -11.631 -8.022 -9.524 0.20 90.00 O ATOM 0 H GLU A 112 -12.896 -9.042 -7.195 0.20 90.00 H new ATOM 0 HA GLU A 112 -15.181 -9.144 -8.775 0.20 90.00 H new ATOM 0 HB2 GLU A 112 -13.219 -11.316 -7.936 0.20 90.00 H new ATOM 0 HB3 GLU A 112 -14.357 -11.454 -9.261 0.20 90.00 H new ATOM 0 HG2 GLU A 112 -12.110 -10.964 -10.099 0.20 90.00 H new ATOM 0 HG3 GLU A 112 -13.212 -9.659 -10.491 0.20 90.00 H new ATOM 1672 N ALA A 113 -15.178 -11.130 -6.114 0.20 90.00 N ATOM 1673 CA ALA A 113 -15.957 -11.859 -5.089 0.20 90.00 C ATOM 1674 C ALA A 113 -16.781 -13.031 -5.626 0.20 90.00 C ATOM 1675 O ALA A 113 -17.351 -13.783 -4.850 0.20 90.00 O ATOM 1676 CB ALA A 113 -16.816 -10.914 -4.252 0.20 90.00 C ATOM 0 H ALA A 113 -14.173 -11.178 -5.949 0.20 90.00 H new ATOM 0 HA ALA A 113 -15.206 -12.311 -4.441 0.20 90.00 H new ATOM 0 HB1 ALA A 113 -17.372 -11.488 -3.511 0.20 90.00 H new ATOM 0 HB2 ALA A 113 -16.175 -10.192 -3.745 0.20 90.00 H new ATOM 0 HB3 ALA A 113 -17.515 -10.386 -4.901 0.20 90.00 H new ATOM 1682 N ASP A 114 -16.836 -13.188 -6.922 0.20 90.00 N ATOM 1683 CA ASP A 114 -17.555 -14.293 -7.527 0.20 90.00 C ATOM 1684 C ASP A 114 -16.666 -15.501 -7.567 0.20 90.00 C ATOM 1685 O ASP A 114 -17.121 -16.624 -7.365 0.20 90.00 O ATOM 1686 CB ASP A 114 -18.022 -13.943 -8.942 0.20 90.00 C ATOM 1687 CG ASP A 114 -16.899 -13.754 -9.932 0.20 90.00 C ATOM 1688 OD1 ASP A 114 -16.195 -12.727 -9.859 0.20 90.00 O ATOM 1689 OD2 ASP A 114 -16.713 -14.621 -10.805 0.20 90.00 O ATOM 0 H ASP A 114 -16.389 -12.561 -7.590 0.20 90.00 H new ATOM 0 HA ASP A 114 -18.439 -14.502 -6.924 0.20 90.00 H new ATOM 0 HB2 ASP A 114 -18.680 -14.734 -9.302 0.20 90.00 H new ATOM 0 HB3 ASP A 114 -18.614 -13.029 -8.902 0.20 90.00 H new ATOM 1694 N MET A 115 -15.380 -15.257 -7.814 0.20 90.00 N ATOM 1695 CA MET A 115 -14.392 -16.313 -7.856 0.20 90.00 C ATOM 1696 C MET A 115 -14.302 -16.948 -6.487 0.20 90.00 C ATOM 1697 O MET A 115 -14.284 -18.167 -6.356 0.20 90.00 O ATOM 1698 CB MET A 115 -13.019 -15.765 -8.259 0.20 90.00 C ATOM 1699 CG MET A 115 -12.964 -15.132 -9.638 0.20 90.00 C ATOM 1700 SD MET A 115 -11.344 -14.426 -9.994 0.20 90.00 S ATOM 1701 CE MET A 115 -11.629 -13.775 -11.637 0.20 90.00 C ATOM 0 H MET A 115 -15.004 -14.325 -7.989 0.20 90.00 H new ATOM 0 HA MET A 115 -14.694 -17.051 -8.599 0.20 90.00 H new ATOM 0 HB2 MET A 115 -12.709 -15.024 -7.522 0.20 90.00 H new ATOM 0 HB3 MET A 115 -12.293 -16.577 -8.219 0.20 90.00 H new ATOM 0 HG2 MET A 115 -13.206 -15.882 -10.391 0.20 90.00 H new ATOM 0 HG3 MET A 115 -13.723 -14.353 -9.709 0.20 90.00 H new ATOM 0 HE1 MET A 115 -10.718 -13.302 -12.004 0.20 90.00 H new ATOM 0 HE2 MET A 115 -11.911 -14.588 -12.306 0.20 90.00 H new ATOM 0 HE3 MET A 115 -12.432 -13.038 -11.602 0.20 90.00 H new ATOM 1711 N ARG A 116 -14.257 -16.070 -5.462 0.20 90.00 N ATOM 1712 CA ARG A 116 -14.239 -16.407 -4.022 0.20 90.00 C ATOM 1713 C ARG A 116 -12.945 -17.095 -3.555 0.20 90.00 C ATOM 1714 O ARG A 116 -12.556 -16.960 -2.390 0.20 90.00 O ATOM 1715 CB ARG A 116 -15.437 -17.243 -3.618 0.20 90.00 C ATOM 1716 CG ARG A 116 -16.789 -16.617 -3.868 0.20 90.00 C ATOM 1717 CD ARG A 116 -17.893 -17.543 -3.410 0.20 90.00 C ATOM 1718 NE ARG A 116 -17.784 -18.863 -4.043 0.20 90.00 N ATOM 1719 CZ ARG A 116 -18.465 -19.952 -3.691 0.20 90.00 C ATOM 1720 NH1 ARG A 116 -19.446 -19.876 -2.801 0.20 90.00 N ATOM 1721 NH2 ARG A 116 -18.191 -21.109 -4.271 0.20 90.00 N ATOM 0 H ARG A 116 -14.231 -15.063 -5.622 0.20 90.00 H new ATOM 0 HA ARG A 116 -14.287 -15.442 -3.517 0.20 90.00 H new ATOM 0 HB2 ARG A 116 -15.392 -18.191 -4.154 0.20 90.00 H new ATOM 0 HB3 ARG A 116 -15.355 -17.473 -2.556 0.20 90.00 H new ATOM 0 HG2 ARG A 116 -16.860 -15.667 -3.339 0.20 90.00 H new ATOM 0 HG3 ARG A 116 -16.905 -16.400 -4.930 0.20 90.00 H new ATOM 0 HD2 ARG A 116 -17.851 -17.653 -2.326 0.20 90.00 H new ATOM 0 HD3 ARG A 116 -18.861 -17.103 -3.648 0.20 90.00 H new ATOM 0 HE ARG A 116 -17.130 -18.954 -4.820 0.20 90.00 H new ATOM 0 HH11 ARG A 116 -19.684 -18.978 -2.380 0.20 90.00 H new ATOM 0 HH12 ARG A 116 -19.962 -20.716 -2.538 0.20 90.00 H new ATOM 0 HH21 ARG A 116 -17.462 -21.163 -4.983 0.20 90.00 H new ATOM 0 HH22 ARG A 116 -18.708 -21.947 -4.006 0.20 90.00 H new ATOM 1735 N SER A 117 -12.272 -17.770 -4.459 0.20 90.00 N ATOM 1736 CA SER A 117 -11.055 -18.539 -4.214 0.20 90.00 C ATOM 1737 C SER A 117 -9.847 -17.666 -3.796 0.20 90.00 C ATOM 1738 O SER A 117 -8.755 -18.167 -3.520 0.20 90.00 O ATOM 1739 CB SER A 117 -10.782 -19.326 -5.480 0.20 90.00 C ATOM 1740 OG SER A 117 -11.104 -18.526 -6.620 0.20 90.00 O ATOM 0 H SER A 117 -12.566 -17.805 -5.435 0.20 90.00 H new ATOM 0 HA SER A 117 -11.203 -19.203 -3.362 0.20 90.00 H new ATOM 0 HB2 SER A 117 -9.734 -19.624 -5.516 0.20 90.00 H new ATOM 0 HB3 SER A 117 -11.374 -20.241 -5.486 0.20 90.00 H new ATOM 0 HG SER A 117 -10.926 -19.035 -7.438 0.20 90.00 H new ATOM 1746 N LEU A 118 -10.088 -16.374 -3.724 0.20 90.00 N ATOM 1747 CA LEU A 118 -9.123 -15.376 -3.317 0.20 90.00 C ATOM 1748 C LEU A 118 -8.877 -15.389 -1.795 0.20 90.00 C ATOM 1749 O LEU A 118 -8.046 -14.638 -1.287 0.20 90.00 O ATOM 1750 CB LEU A 118 -9.579 -13.980 -3.832 0.20 90.00 C ATOM 1751 CG LEU A 118 -11.049 -13.545 -3.553 0.20 90.00 C ATOM 1752 CD1 LEU A 118 -11.298 -13.208 -2.088 0.20 90.00 C ATOM 1753 CD2 LEU A 118 -11.455 -12.386 -4.456 0.20 90.00 C ATOM 0 H LEU A 118 -10.997 -15.975 -3.957 0.20 90.00 H new ATOM 0 HA LEU A 118 -8.160 -15.615 -3.768 0.20 90.00 H new ATOM 0 HB2 LEU A 118 -8.920 -13.230 -3.395 0.20 90.00 H new ATOM 0 HB3 LEU A 118 -9.421 -13.953 -4.910 0.20 90.00 H new ATOM 0 HG LEU A 118 -11.678 -14.405 -3.786 0.20 90.00 H new ATOM 0 HD11 LEU A 118 -12.338 -12.912 -1.955 0.20 90.00 H new ATOM 0 HD12 LEU A 118 -11.088 -14.083 -1.473 0.20 90.00 H new ATOM 0 HD13 LEU A 118 -10.646 -12.388 -1.787 0.20 90.00 H new ATOM 0 HD21 LEU A 118 -12.485 -12.101 -4.242 0.20 90.00 H new ATOM 0 HD22 LEU A 118 -10.798 -11.536 -4.274 0.20 90.00 H new ATOM 0 HD23 LEU A 118 -11.373 -12.691 -5.499 0.20 90.00 H new ATOM 1765 N GLY A 119 -9.607 -16.234 -1.083 0.20 90.00 N ATOM 1766 CA GLY A 119 -9.427 -16.327 0.354 0.20 90.00 C ATOM 1767 C GLY A 119 -10.692 -16.725 1.073 0.20 90.00 C ATOM 1768 O GLY A 119 -10.645 -17.282 2.164 0.20 90.00 O ATOM 0 H GLY A 119 -10.318 -16.855 -1.470 0.20 90.00 H new ATOM 0 HA2 GLY A 119 -8.645 -17.055 0.572 0.20 90.00 H new ATOM 0 HA3 GLY A 119 -9.083 -15.366 0.736 0.20 90.00 H new ATOM 1772 N LEU A 120 -11.823 -16.454 0.459 0.20 90.00 N ATOM 1773 CA LEU A 120 -13.110 -16.773 1.055 0.20 90.00 C ATOM 1774 C LEU A 120 -13.379 -18.256 0.845 0.20 90.00 C ATOM 1775 O LEU A 120 -13.523 -19.030 1.797 0.20 90.00 O ATOM 1776 CB LEU A 120 -14.211 -15.921 0.379 0.20 90.00 C ATOM 1777 CG LEU A 120 -15.595 -15.794 1.078 0.20 90.00 C ATOM 1778 CD1 LEU A 120 -16.432 -14.747 0.372 0.20 90.00 C ATOM 1779 CD2 LEU A 120 -16.364 -17.113 1.092 0.20 90.00 C ATOM 0 H LEU A 120 -11.881 -16.011 -0.458 0.20 90.00 H new ATOM 0 HA LEU A 120 -13.107 -16.551 2.122 0.20 90.00 H new ATOM 0 HB2 LEU A 120 -13.815 -14.914 0.246 0.20 90.00 H new ATOM 0 HB3 LEU A 120 -14.380 -16.331 -0.617 0.20 90.00 H new ATOM 0 HG LEU A 120 -15.405 -15.504 2.111 0.20 90.00 H new ATOM 0 HD11 LEU A 120 -17.400 -14.662 0.865 0.20 90.00 H new ATOM 0 HD12 LEU A 120 -15.920 -13.786 0.410 0.20 90.00 H new ATOM 0 HD13 LEU A 120 -16.579 -15.039 -0.668 0.20 90.00 H new ATOM 0 HD21 LEU A 120 -17.323 -16.970 1.591 0.20 90.00 H new ATOM 0 HD22 LEU A 120 -16.534 -17.446 0.068 0.20 90.00 H new ATOM 0 HD23 LEU A 120 -15.785 -17.866 1.627 0.20 90.00 H new ATOM 1791 N ALA A 121 -13.404 -18.649 -0.398 0.20 90.00 N ATOM 1792 CA ALA A 121 -13.700 -19.986 -0.739 0.20 90.00 C ATOM 1793 C ALA A 121 -12.437 -20.729 -1.055 0.20 90.00 C ATOM 1794 O ALA A 121 -11.910 -20.677 -2.169 0.20 90.00 O ATOM 1795 CB ALA A 121 -14.699 -20.076 -1.877 0.20 90.00 C ATOM 0 H ALA A 121 -13.217 -18.040 -1.194 0.20 90.00 H new ATOM 0 HA ALA A 121 -14.172 -20.457 0.123 0.20 90.00 H new ATOM 0 HB1 ALA A 121 -14.897 -21.123 -2.105 0.20 90.00 H new ATOM 0 HB2 ALA A 121 -15.628 -19.586 -1.585 0.20 90.00 H new ATOM 0 HB3 ALA A 121 -14.291 -19.583 -2.759 0.20 90.00 H new ATOM 1801 N GLU A 122 -11.913 -21.319 -0.061 0.20 90.00 N ATOM 1802 CA GLU A 122 -10.766 -22.143 -0.171 0.20 90.00 C ATOM 1803 C GLU A 122 -11.020 -23.302 0.742 0.20 90.00 C ATOM 1804 O GLU A 122 -11.813 -23.168 1.691 0.20 90.00 O ATOM 1805 CB GLU A 122 -9.501 -21.382 0.236 0.20 90.00 C ATOM 1806 CG GLU A 122 -8.217 -22.153 -0.018 0.20 90.00 C ATOM 1807 CD GLU A 122 -6.990 -21.408 0.418 0.20 90.00 C ATOM 1808 OE1 GLU A 122 -6.424 -20.644 -0.391 0.20 90.00 O ATOM 1809 OE2 GLU A 122 -6.561 -21.572 1.573 0.20 90.00 O ATOM 0 H GLU A 122 -12.277 -21.245 0.889 0.20 90.00 H new ATOM 0 HA GLU A 122 -10.601 -22.471 -1.197 0.20 90.00 H new ATOM 0 HB2 GLU A 122 -9.463 -20.440 -0.310 0.20 90.00 H new ATOM 0 HB3 GLU A 122 -9.562 -21.134 1.296 0.20 90.00 H new ATOM 0 HG2 GLU A 122 -8.262 -23.107 0.508 0.20 90.00 H new ATOM 0 HG3 GLU A 122 -8.140 -22.379 -1.082 0.20 90.00 H new ATOM 1816 N SER A 123 -10.430 -24.422 0.460 0.20 90.00 N ATOM 1817 CA SER A 123 -10.636 -25.591 1.248 0.20 90.00 C ATOM 1818 C SER A 123 -10.069 -25.397 2.658 0.20 90.00 C ATOM 1819 O SER A 123 -9.106 -24.664 2.858 0.20 90.00 O ATOM 1820 CB SER A 123 -10.039 -26.774 0.521 0.20 90.00 C ATOM 1821 OG SER A 123 -10.635 -26.854 -0.773 0.20 90.00 O ATOM 0 H SER A 123 -9.791 -24.549 -0.325 0.20 90.00 H new ATOM 0 HA SER A 123 -11.701 -25.783 1.381 0.20 90.00 H new ATOM 0 HB2 SER A 123 -8.958 -26.660 0.435 0.20 90.00 H new ATOM 0 HB3 SER A 123 -10.219 -27.693 1.079 0.20 90.00 H new ATOM 0 HG SER A 123 -10.258 -27.616 -1.260 0.20 90.00 H new ATOM 1827 N ARG A 124 -10.707 -26.001 3.617 0.20 90.00 N ATOM 1828 CA ARG A 124 -10.326 -25.849 5.011 0.20 90.00 C ATOM 1829 C ARG A 124 -10.152 -27.236 5.604 0.20 90.00 C ATOM 1830 O ARG A 124 -10.272 -27.439 6.816 0.20 90.00 O ATOM 1831 CB ARG A 124 -11.417 -25.043 5.798 0.20 90.00 C ATOM 1832 CG ARG A 124 -12.766 -25.768 6.037 0.20 90.00 C ATOM 1833 CD ARG A 124 -13.640 -25.922 4.800 0.20 90.00 C ATOM 1834 NE ARG A 124 -14.748 -26.855 5.058 0.20 90.00 N ATOM 1835 CZ ARG A 124 -15.922 -26.911 4.400 0.20 90.00 C ATOM 1836 NH1 ARG A 124 -16.218 -26.022 3.451 0.20 90.00 N ATOM 1837 NH2 ARG A 124 -16.790 -27.871 4.698 0.20 90.00 N ATOM 0 H ARG A 124 -11.507 -26.615 3.466 0.20 90.00 H new ATOM 0 HA ARG A 124 -9.393 -25.291 5.085 0.20 90.00 H new ATOM 0 HB2 ARG A 124 -11.003 -24.762 6.766 0.20 90.00 H new ATOM 0 HB3 ARG A 124 -11.617 -24.118 5.256 0.20 90.00 H new ATOM 0 HG2 ARG A 124 -12.562 -26.758 6.445 0.20 90.00 H new ATOM 0 HG3 ARG A 124 -13.327 -25.220 6.794 0.20 90.00 H new ATOM 0 HD2 ARG A 124 -14.037 -24.950 4.506 0.20 90.00 H new ATOM 0 HD3 ARG A 124 -13.039 -26.286 3.967 0.20 90.00 H new ATOM 0 HE ARG A 124 -14.613 -27.528 5.812 0.20 90.00 H new ATOM 0 HH11 ARG A 124 -15.551 -25.287 3.215 0.20 90.00 H new ATOM 0 HH12 ARG A 124 -17.111 -26.077 2.961 0.20 90.00 H new ATOM 0 HH21 ARG A 124 -16.565 -28.556 5.419 0.20 90.00 H new ATOM 0 HH22 ARG A 124 -17.682 -27.923 4.206 0.20 90.00 H new ATOM 1851 N GLN A 125 -9.799 -28.170 4.727 0.20 90.00 N ATOM 1852 CA GLN A 125 -9.744 -29.594 5.021 0.20 90.00 C ATOM 1853 C GLN A 125 -11.131 -30.120 5.380 0.20 90.00 C ATOM 1854 O GLN A 125 -12.156 -29.510 4.993 0.20 90.00 O ATOM 1855 CB GLN A 125 -8.732 -29.907 6.112 0.20 90.00 C ATOM 1856 CG GLN A 125 -8.733 -31.365 6.545 0.20 90.00 C ATOM 1857 CD GLN A 125 -7.784 -31.680 7.681 0.20 90.00 C ATOM 1858 OE1 GLN A 125 -7.262 -32.786 7.772 0.20 90.00 O ATOM 1859 NE2 GLN A 125 -7.570 -30.736 8.571 0.20 90.00 N ATOM 0 H GLN A 125 -9.536 -27.949 3.766 0.20 90.00 H new ATOM 0 HA GLN A 125 -9.407 -30.108 4.121 0.20 90.00 H new ATOM 0 HB2 GLN A 125 -7.736 -29.643 5.758 0.20 90.00 H new ATOM 0 HB3 GLN A 125 -8.939 -29.279 6.979 0.20 90.00 H new ATOM 0 HG2 GLN A 125 -9.744 -31.642 6.845 0.20 90.00 H new ATOM 0 HG3 GLN A 125 -8.473 -31.986 5.688 0.20 90.00 H new ATOM 0 HE21 GLN A 125 -8.019 -29.826 8.467 0.20 90.00 H new ATOM 0 HE22 GLN A 125 -6.955 -30.914 9.365 0.20 90.00 H new TER 1868 GLN A 125 HETATM 1869 PA FAD A1126 1.107 7.865 12.714 1.00 10.00 P HETATM 1870 O1A FAD A1126 1.632 6.481 13.003 1.00 10.00 O HETATM 1871 O2A FAD A1126 1.630 8.969 13.642 1.00 10.00 O HETATM 1872 O5B FAD A1126 -0.469 7.888 12.843 1.00 10.00 O HETATM 1873 C5B FAD A1126 -1.279 6.755 12.513 1.00 10.00 C HETATM 1874 C4B FAD A1126 -1.308 5.784 13.675 1.00 10.00 C HETATM 1875 O4B FAD A1126 -2.102 6.363 14.738 1.00 10.00 O HETATM 1876 C3B FAD A1126 -1.930 4.421 13.387 1.00 10.00 C HETATM 1877 O3B FAD A1126 -1.289 3.385 14.133 1.00 10.00 O HETATM 1878 C2B FAD A1126 -3.382 4.574 13.812 1.00 10.00 C HETATM 1879 O2B FAD A1126 -3.898 3.361 14.325 1.00 10.00 O HETATM 1880 C1B FAD A1126 -3.276 5.599 14.952 1.00 10.00 C HETATM 1881 N9A FAD A1126 -4.424 6.530 15.045 1.00 10.00 N HETATM 1882 C8A FAD A1126 -4.645 7.481 16.009 1.00 10.00 C HETATM 1883 N7A FAD A1126 -5.753 8.170 15.838 1.00 10.00 N HETATM 1884 C5A FAD A1126 -6.301 7.637 14.685 1.00 10.00 C HETATM 1885 C6A FAD A1126 -7.473 7.938 13.976 1.00 10.00 C HETATM 1886 N6A FAD A1126 -8.341 8.883 14.346 1.00 10.00 N HETATM 1887 N1A FAD A1126 -7.731 7.229 12.866 1.00 10.00 N HETATM 1888 C2A FAD A1126 -6.865 6.275 12.494 1.00 10.00 C HETATM 1889 N3A FAD A1126 -5.733 5.900 13.071 1.00 10.00 N HETATM 1890 C4A FAD A1126 -5.498 6.628 14.177 1.00 10.00 C HETATM 1891 N1 FAD A1126 -0.439 4.892 5.584 1.00 10.00 N HETATM 1892 C2 FAD A1126 -0.580 6.045 4.880 1.00 10.00 C HETATM 1893 O2 FAD A1126 -0.732 7.110 5.450 1.00 10.00 O HETATM 1894 N3 FAD A1126 -0.546 6.029 3.492 1.00 10.00 N HETATM 1895 C4 FAD A1126 -0.383 4.891 2.815 1.00 10.00 C HETATM 1896 O4 FAD A1126 -0.352 4.880 1.576 1.00 10.00 O HETATM 1897 C4X FAD A1126 -0.240 3.691 3.525 1.00 10.00 C HETATM 1898 N5 FAD A1126 -0.073 2.531 2.862 1.00 10.00 N HETATM 1899 C5X FAD A1126 0.076 1.353 3.518 1.00 10.00 C HETATM 1900 C6 FAD A1126 0.249 0.192 2.785 1.00 10.00 C HETATM 1901 C7 FAD A1126 0.411 -1.042 3.420 1.00 10.00 C HETATM 1902 C7M FAD A1126 0.602 -2.309 2.582 1.00 10.00 C HETATM 1903 C8 FAD A1126 0.404 -1.110 4.827 1.00 10.00 C HETATM 1904 C8M FAD A1126 0.589 -2.430 5.524 1.00 10.00 C HETATM 1905 C9 FAD A1126 0.231 0.047 5.585 1.00 10.00 C HETATM 1906 C9A FAD A1126 0.062 1.302 4.933 1.00 10.00 C HETATM 1907 N10 FAD A1126 -0.117 2.508 5.658 1.00 10.00 N HETATM 1908 C10 FAD A1126 -0.268 3.713 4.934 1.00 10.00 C HETATM 1909 C1' FAD A1126 -0.146 2.529 7.098 1.00 10.00 C HETATM 1910 C2' FAD A1126 1.266 2.721 7.699 1.00 10.00 C HETATM 1911 O2' FAD A1126 2.093 1.641 7.317 1.00 10.00 O HETATM 1912 C3' FAD A1126 1.008 2.715 9.246 1.00 10.00 C HETATM 1913 O3' FAD A1126 0.351 1.519 9.665 1.00 10.00 O HETATM 1914 C4' FAD A1126 0.142 3.962 9.578 1.00 10.00 C HETATM 1915 O4' FAD A1126 -0.037 4.034 10.990 1.00 10.00 O HETATM 1916 C5' FAD A1126 0.654 5.298 9.100 1.00 10.00 C HETATM 1917 O5' FAD A1126 0.493 6.265 10.138 1.00 10.00 O HETATM 1918 P FAD A1126 0.815 7.774 9.874 1.00 10.00 P HETATM 1919 O1P FAD A1126 1.885 7.815 8.794 1.00 10.00 O HETATM 1920 O2P FAD A1126 -0.481 8.503 9.608 1.00 10.00 O HETATM 1921 O3P FAD A1126 1.469 8.328 11.226 1.00 10.00 O HETATM 0 HO4' FAD A1126 0.534 4.741 11.356 1.00 10.00 H new HETATM 0 HO3A FAD A1126 -1.067 3.716 15.028 1.00 10.00 H new HETATM 0 HO3' FAD A1126 -0.217 1.712 10.440 1.00 10.00 H new HETATM 0 HO2A FAD A1126 -3.190 2.881 14.803 1.00 10.00 H new HETATM 0 HO2' FAD A1126 2.988 1.764 7.697 1.00 10.00 H new HETATM 0 HM83 FAD A1126 -0.207 -3.113 5.227 1.00 10.00 H new HETATM 0 HM82 FAD A1126 1.554 -2.855 5.248 1.00 10.00 H new HETATM 0 HM81 FAD A1126 0.554 -2.280 6.603 1.00 10.00 H new HETATM 0 HM73 FAD A1126 -0.266 -2.454 1.938 1.00 10.00 H new HETATM 0 HM72 FAD A1126 1.497 -2.207 1.968 1.00 10.00 H new HETATM 0 HM71 FAD A1126 0.711 -3.169 3.243 1.00 10.00 H new HETATM 0 H62A FAD A1126 -9.177 9.055 13.787 1.00 10.00 H new HETATM 0 H61A FAD A1126 -8.168 9.433 15.187 1.00 10.00 H new HETATM 0 H52A FAD A1126 -2.292 7.079 12.273 1.00 10.00 H new HETATM 0 H51A FAD A1126 -0.884 6.261 11.625 1.00 10.00 H new HETATM 0 H5'2 FAD A1126 1.705 5.219 8.821 1.00 10.00 H new HETATM 0 H5'1 FAD A1126 0.110 5.611 8.209 1.00 10.00 H new HETATM 0 H1'2 FAD A1126 -0.798 3.335 7.437 1.00 10.00 H new HETATM 0 H1'1 FAD A1126 -0.574 1.597 7.466 1.00 10.00 H new HETATM 0 HN3 FAD A1126 -0.648 6.905 2.980 1.00 10.00 H new HETATM 0 H9 FAD A1126 0.225 -0.009 6.674 1.00 10.00 H new HETATM 0 H8A FAD A1126 -3.963 7.651 16.842 1.00 10.00 H new HETATM 0 H6 FAD A1126 0.259 0.241 1.696 1.00 10.00 H new HETATM 0 H4B FAD A1126 -0.260 5.619 13.923 1.00 10.00 H new HETATM 0 H4' FAD A1126 -0.784 3.801 9.025 1.00 10.00 H new HETATM 0 H3B FAD A1126 -1.826 4.137 12.340 1.00 10.00 H new HETATM 0 H3' FAD A1126 1.958 2.750 9.780 1.00 10.00 H new HETATM 0 H2B FAD A1126 -4.038 4.864 12.991 1.00 10.00 H new HETATM 0 H2A FAD A1126 -7.130 5.731 11.588 1.00 10.00 H new HETATM 0 H2' FAD A1126 1.767 3.630 7.366 1.00 10.00 H new HETATM 0 H1B FAD A1126 -3.258 5.036 15.885 1.00 10.00 H new