USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 28 ASN : amide:sc= -2.86 K(o=-10,f=-15!) USER MOD Set 1.3: A 31 LYS NZ :NH3+ -178:sc= 0.0609 (180deg=0) USER MOD Set 1.4: A 64 ASN : amide:sc= -7.45! C(o=-10!,f=-7.8!) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0667 USER MOD Single : A 4 THR OG1 : rot 140:sc= -1.07 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc=-0.00302 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.082) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -108:sc= -0.595 (180deg=-5.47!) USER MOD Single : A 24 GLN : amide:sc= -1.85 K(o=-1.8,f=0.93) USER MOD Single : A 25 MET CE :methyl -150:sc= -0.0525 (180deg=-0.908) USER MOD Single : A 26 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.13) USER MOD Single : A 30 THR OG1 : rot -43:sc= 1.18 USER MOD Single : A 37 SER OG : rot 180:sc= -0.138 USER MOD Single : A 45 MET CE :methyl -172:sc= 0 (180deg=-0.0329) USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.142) USER MOD Single : A 52 ASN : amide:sc= -0.0215 X(o=-0.021,f=-0.3) USER MOD Single : A 54 THR OG1 : rot -71:sc= 0.439 USER MOD Single : A 56 SER OG : rot 27:sc= 0.818 USER MOD Single : A 58 GLN : amide:sc= -0.804 X(o=-0.8,f=-0.51) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -125:sc= -0.314 USER MOD Single : A 67 GLN : amide:sc= -0.0721 X(o=-0.072,f=0) USER MOD Single : A 72 TYR OH : rot -126:sc= -2.73! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.4) USER MOD Single : A 77 ASN : amide:sc= -3.93 K(o=-3.9,f=-4.5) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 4.799 -2.416 -4.849 1.00 0.00 N ATOM 43 CA SER A 3 5.417 -1.158 -5.250 1.00 0.00 C ATOM 44 C SER A 3 4.939 -0.736 -6.637 1.00 0.00 C ATOM 45 O SER A 3 4.057 0.113 -6.772 1.00 0.00 O ATOM 46 CB SER A 3 6.941 -1.288 -5.241 1.00 0.00 C ATOM 47 OG SER A 3 7.507 -0.581 -4.151 1.00 0.00 O ATOM 0 HA SER A 3 5.121 -0.392 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.219 -2.340 -5.180 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.347 -0.905 -6.177 1.00 0.00 H new ATOM 0 HG SER A 3 8.482 -0.681 -4.167 1.00 0.00 H new ATOM 53 N THR A 4 5.529 -1.336 -7.667 1.00 0.00 N ATOM 54 CA THR A 4 5.166 -1.023 -9.043 1.00 0.00 C ATOM 55 C THR A 4 3.857 -1.698 -9.434 1.00 0.00 C ATOM 56 O THR A 4 3.089 -1.169 -10.238 1.00 0.00 O ATOM 57 CB THR A 4 6.268 -1.458 -10.027 1.00 0.00 C ATOM 58 OG1 THR A 4 6.003 -0.921 -11.328 1.00 0.00 O ATOM 59 CG2 THR A 4 6.355 -2.974 -10.107 1.00 0.00 C ATOM 0 H THR A 4 6.260 -2.041 -7.573 1.00 0.00 H new ATOM 0 HA THR A 4 5.044 0.059 -9.099 1.00 0.00 H new ATOM 0 HB THR A 4 7.221 -1.074 -9.663 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.842 -0.621 -11.735 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.140 -3.257 -10.808 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.586 -3.378 -9.121 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.401 -3.376 -10.449 1.00 0.00 H new ATOM 67 N PHE A 5 3.606 -2.870 -8.859 1.00 0.00 N ATOM 68 CA PHE A 5 2.388 -3.618 -9.147 1.00 0.00 C ATOM 69 C PHE A 5 1.150 -2.769 -8.874 1.00 0.00 C ATOM 70 O PHE A 5 0.134 -2.897 -9.557 1.00 0.00 O ATOM 71 CB PHE A 5 2.339 -4.896 -8.307 1.00 0.00 C ATOM 72 CG PHE A 5 1.138 -5.753 -8.590 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.634 -5.861 -9.876 1.00 0.00 C ATOM 74 CD2 PHE A 5 0.513 -6.451 -7.569 1.00 0.00 C ATOM 75 CE1 PHE A 5 -0.472 -6.647 -10.138 1.00 0.00 C ATOM 76 CE2 PHE A 5 -0.593 -7.240 -7.825 1.00 0.00 C ATOM 77 CZ PHE A 5 -1.085 -7.339 -9.112 1.00 0.00 C ATOM 0 H PHE A 5 4.230 -3.322 -8.191 1.00 0.00 H new ATOM 0 HA PHE A 5 2.397 -3.885 -10.204 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.242 -5.478 -8.492 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.343 -4.627 -7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.111 -5.325 -10.683 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.894 -6.378 -6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.857 -6.720 -11.144 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.072 -7.778 -7.020 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.947 -7.956 -9.315 1.00 0.00 H new ATOM 87 N ASP A 6 1.244 -1.902 -7.872 1.00 0.00 N ATOM 88 CA ASP A 6 0.133 -1.031 -7.508 1.00 0.00 C ATOM 89 C ASP A 6 -0.263 -0.137 -8.679 1.00 0.00 C ATOM 90 O ASP A 6 -1.386 -0.212 -9.178 1.00 0.00 O ATOM 91 CB ASP A 6 0.505 -0.172 -6.299 1.00 0.00 C ATOM 92 CG ASP A 6 -0.439 -0.376 -5.131 1.00 0.00 C ATOM 93 OD1 ASP A 6 -1.631 -0.659 -5.374 1.00 0.00 O ATOM 94 OD2 ASP A 6 0.013 -0.254 -3.973 1.00 0.00 O ATOM 0 H ASP A 6 2.078 -1.784 -7.297 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.719 -1.660 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.522 -0.411 -5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.499 0.879 -6.588 1.00 0.00 H new ATOM 99 N ASP A 7 0.666 0.708 -9.112 1.00 0.00 N ATOM 100 CA ASP A 7 0.415 1.617 -10.225 1.00 0.00 C ATOM 101 C ASP A 7 0.199 0.842 -11.521 1.00 0.00 C ATOM 102 O ASP A 7 -0.447 1.332 -12.448 1.00 0.00 O ATOM 103 CB ASP A 7 1.581 2.593 -10.387 1.00 0.00 C ATOM 104 CG ASP A 7 1.357 3.892 -9.638 1.00 0.00 C ATOM 105 OD1 ASP A 7 1.365 3.865 -8.390 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.173 4.935 -10.300 1.00 0.00 O ATOM 0 H ASP A 7 1.600 0.783 -8.709 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.492 2.181 -10.005 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.497 2.123 -10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.727 2.808 -11.446 1.00 0.00 H new ATOM 111 N ILE A 8 0.745 -0.368 -11.579 1.00 0.00 N ATOM 112 CA ILE A 8 0.613 -1.209 -12.762 1.00 0.00 C ATOM 113 C ILE A 8 -0.781 -1.822 -12.847 1.00 0.00 C ATOM 114 O ILE A 8 -1.327 -2.002 -13.935 1.00 0.00 O ATOM 115 CB ILE A 8 1.659 -2.339 -12.769 1.00 0.00 C ATOM 116 CG1 ILE A 8 2.957 -1.858 -13.420 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.116 -3.560 -13.497 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.194 -2.536 -12.875 1.00 0.00 C ATOM 0 H ILE A 8 1.283 -0.788 -10.821 1.00 0.00 H new ATOM 0 HA ILE A 8 0.779 -0.566 -13.627 1.00 0.00 H new ATOM 0 HB ILE A 8 1.874 -2.621 -11.738 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.901 -2.032 -14.495 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.049 -0.782 -13.276 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.867 -4.350 -13.493 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.216 -3.913 -12.994 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.875 -3.293 -14.526 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.076 -2.146 -13.382 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.274 -2.341 -11.806 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.124 -3.611 -13.044 1.00 0.00 H new ATOM 130 N LYS A 9 -1.354 -2.139 -11.690 1.00 0.00 N ATOM 131 CA LYS A 9 -2.686 -2.729 -11.632 1.00 0.00 C ATOM 132 C LYS A 9 -3.761 -1.663 -11.816 1.00 0.00 C ATOM 133 O LYS A 9 -4.890 -1.965 -12.205 1.00 0.00 O ATOM 134 CB LYS A 9 -2.889 -3.448 -10.296 1.00 0.00 C ATOM 135 CG LYS A 9 -3.503 -2.570 -9.220 1.00 0.00 C ATOM 136 CD LYS A 9 -3.044 -2.986 -7.832 1.00 0.00 C ATOM 137 CE LYS A 9 -4.074 -3.870 -7.146 1.00 0.00 C ATOM 138 NZ LYS A 9 -3.533 -4.493 -5.907 1.00 0.00 N ATOM 0 H LYS A 9 -0.916 -1.997 -10.780 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.773 -3.451 -12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.529 -4.316 -10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.927 -3.821 -9.944 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.230 -1.530 -9.398 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.590 -2.629 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.096 -3.520 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.864 -2.098 -7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.955 -3.277 -6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.398 -4.651 -7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.265 -5.088 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.708 -5.079 -6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.248 -3.748 -5.240 1.00 0.00 H new ATOM 152 N LYS A 10 -3.404 -0.414 -11.536 1.00 0.00 N ATOM 153 CA LYS A 10 -4.337 0.698 -11.674 1.00 0.00 C ATOM 154 C LYS A 10 -4.402 1.178 -13.120 1.00 0.00 C ATOM 155 O LYS A 10 -5.441 1.653 -13.580 1.00 0.00 O ATOM 156 CB LYS A 10 -3.923 1.854 -10.760 1.00 0.00 C ATOM 157 CG LYS A 10 -2.986 2.849 -11.424 1.00 0.00 C ATOM 158 CD LYS A 10 -3.754 3.972 -12.100 1.00 0.00 C ATOM 159 CE LYS A 10 -4.055 5.104 -11.129 1.00 0.00 C ATOM 160 NZ LYS A 10 -4.723 6.251 -11.804 1.00 0.00 N ATOM 0 H LYS A 10 -2.475 -0.146 -11.212 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.327 0.347 -11.381 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.817 2.379 -10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.439 1.448 -9.872 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.310 3.267 -10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.369 2.334 -12.161 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.175 4.356 -12.940 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.687 3.583 -12.507 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.692 4.734 -10.326 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.127 5.444 -10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.911 7.001 -11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.104 6.621 -12.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.621 5.933 -12.222 1.00 0.00 H new ATOM 174 N ILE A 11 -3.288 1.049 -13.832 1.00 0.00 N ATOM 175 CA ILE A 11 -3.221 1.467 -15.227 1.00 0.00 C ATOM 176 C ILE A 11 -3.841 0.420 -16.145 1.00 0.00 C ATOM 177 O ILE A 11 -4.515 0.755 -17.120 1.00 0.00 O ATOM 178 CB ILE A 11 -1.768 1.725 -15.668 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.904 0.490 -15.401 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.202 2.939 -14.947 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.559 0.694 -15.726 1.00 0.00 C ATOM 0 H ILE A 11 -2.420 0.659 -13.466 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.786 2.396 -15.306 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.760 1.927 -16.739 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.999 0.210 -14.352 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.286 -0.344 -15.989 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.175 3.108 -15.270 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.805 3.816 -15.183 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.220 2.764 -13.871 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.110 -0.222 -15.512 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.666 0.944 -16.782 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.957 1.507 -15.119 1.00 0.00 H new ATOM 193 N ILE A 12 -3.610 -0.849 -15.827 1.00 0.00 N ATOM 194 CA ILE A 12 -4.149 -1.946 -16.622 1.00 0.00 C ATOM 195 C ILE A 12 -5.647 -2.110 -16.387 1.00 0.00 C ATOM 196 O ILE A 12 -6.394 -2.460 -17.301 1.00 0.00 O ATOM 197 CB ILE A 12 -3.442 -3.275 -16.300 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.733 -3.697 -14.858 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.943 -3.146 -16.527 1.00 0.00 C ATOM 200 CD1 ILE A 12 -3.063 -4.994 -14.461 1.00 0.00 C ATOM 0 H ILE A 12 -3.053 -1.143 -15.025 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.973 -1.694 -17.668 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.827 -4.045 -16.969 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.405 -2.906 -14.183 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.810 -3.799 -14.728 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.457 -4.094 -16.295 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.754 -2.886 -17.569 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.543 -2.365 -15.880 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.313 -5.231 -13.427 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.410 -5.797 -15.112 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.982 -4.890 -14.558 1.00 0.00 H new ATOM 212 N SER A 13 -6.080 -1.854 -15.157 1.00 0.00 N ATOM 213 CA SER A 13 -7.488 -1.975 -14.801 1.00 0.00 C ATOM 214 C SER A 13 -8.304 -0.844 -15.420 1.00 0.00 C ATOM 215 O SER A 13 -9.422 -1.055 -15.892 1.00 0.00 O ATOM 216 CB SER A 13 -7.655 -1.966 -13.281 1.00 0.00 C ATOM 217 OG SER A 13 -8.996 -2.238 -12.913 1.00 0.00 O ATOM 0 H SER A 13 -5.475 -1.561 -14.390 1.00 0.00 H new ATOM 0 HA SER A 13 -7.856 -2.923 -15.194 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.994 -2.710 -12.835 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.356 -0.996 -12.885 1.00 0.00 H new ATOM 0 HG SER A 13 -9.076 -2.228 -11.936 1.00 0.00 H new ATOM 223 N LYS A 14 -7.737 0.357 -15.415 1.00 0.00 N ATOM 224 CA LYS A 14 -8.409 1.524 -15.976 1.00 0.00 C ATOM 225 C LYS A 14 -8.308 1.529 -17.498 1.00 0.00 C ATOM 226 O LYS A 14 -9.142 2.123 -18.181 1.00 0.00 O ATOM 227 CB LYS A 14 -7.802 2.809 -15.410 1.00 0.00 C ATOM 228 CG LYS A 14 -8.675 4.035 -15.613 1.00 0.00 C ATOM 229 CD LYS A 14 -8.369 4.726 -16.931 1.00 0.00 C ATOM 230 CE LYS A 14 -7.769 6.106 -16.711 1.00 0.00 C ATOM 231 NZ LYS A 14 -7.192 6.666 -17.964 1.00 0.00 N ATOM 0 H LYS A 14 -6.813 0.549 -15.028 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.462 1.475 -15.699 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.620 2.676 -14.344 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.834 2.981 -15.880 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.725 3.743 -15.590 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.520 4.733 -14.791 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.677 4.115 -17.511 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.284 4.815 -17.517 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.537 6.780 -16.332 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.993 6.047 -15.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.793 7.607 -17.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.441 6.036 -18.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.938 6.746 -18.684 1.00 0.00 H new ATOM 245 N GLN A 15 -7.284 0.864 -18.022 1.00 0.00 N ATOM 246 CA GLN A 15 -7.077 0.792 -19.463 1.00 0.00 C ATOM 247 C GLN A 15 -7.956 -0.286 -20.087 1.00 0.00 C ATOM 248 O GLN A 15 -8.848 0.009 -20.884 1.00 0.00 O ATOM 249 CB GLN A 15 -5.606 0.511 -19.775 1.00 0.00 C ATOM 250 CG GLN A 15 -5.287 0.513 -21.261 1.00 0.00 C ATOM 251 CD GLN A 15 -5.288 1.907 -21.856 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.940 2.162 -22.869 1.00 0.00 O ATOM 253 NE2 GLN A 15 -4.555 2.819 -21.229 1.00 0.00 N ATOM 0 H GLN A 15 -6.585 0.367 -17.470 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.355 1.755 -19.892 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.989 1.260 -19.279 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.333 -0.457 -19.355 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.311 0.055 -21.420 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.017 -0.103 -21.786 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.030 2.564 -20.392 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.517 3.775 -21.584 1.00 0.00 H new ATOM 262 N LEU A 16 -7.699 -1.537 -19.721 1.00 0.00 N ATOM 263 CA LEU A 16 -8.467 -2.661 -20.245 1.00 0.00 C ATOM 264 C LEU A 16 -9.150 -3.427 -19.116 1.00 0.00 C ATOM 265 O LEU A 16 -10.375 -3.420 -18.999 1.00 0.00 O ATOM 266 CB LEU A 16 -7.557 -3.601 -21.037 1.00 0.00 C ATOM 267 CG LEU A 16 -6.128 -3.111 -21.272 1.00 0.00 C ATOM 268 CD1 LEU A 16 -5.273 -3.349 -20.036 1.00 0.00 C ATOM 269 CD2 LEU A 16 -5.520 -3.802 -22.484 1.00 0.00 C ATOM 0 H LEU A 16 -6.965 -1.799 -19.063 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.236 -2.266 -20.909 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.511 -4.556 -20.514 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.019 -3.790 -22.006 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.159 -2.039 -21.467 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.259 -2.994 -20.221 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.698 -2.808 -19.190 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.249 -4.415 -19.810 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.503 -3.441 -22.636 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.502 -4.879 -22.318 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.119 -3.581 -23.367 1.00 0.00 H new ATOM 281 N SER A 17 -8.348 -4.087 -18.286 1.00 0.00 N ATOM 282 CA SER A 17 -8.874 -4.859 -17.167 1.00 0.00 C ATOM 283 C SER A 17 -7.751 -5.293 -16.230 1.00 0.00 C ATOM 284 O SER A 17 -6.613 -4.839 -16.354 1.00 0.00 O ATOM 285 CB SER A 17 -9.630 -6.087 -17.678 1.00 0.00 C ATOM 286 OG SER A 17 -10.951 -6.123 -17.167 1.00 0.00 O ATOM 0 H SER A 17 -7.331 -4.102 -18.368 1.00 0.00 H new ATOM 0 HA SER A 17 -9.562 -4.223 -16.611 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.659 -6.073 -18.768 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.099 -6.993 -17.385 1.00 0.00 H new ATOM 0 HG SER A 17 -11.413 -6.916 -17.510 1.00 0.00 H new ATOM 292 N VAL A 18 -8.079 -6.176 -15.292 1.00 0.00 N ATOM 293 CA VAL A 18 -7.099 -6.673 -14.334 1.00 0.00 C ATOM 294 C VAL A 18 -6.604 -8.061 -14.724 1.00 0.00 C ATOM 295 O VAL A 18 -7.291 -9.059 -14.509 1.00 0.00 O ATOM 296 CB VAL A 18 -7.685 -6.731 -12.911 1.00 0.00 C ATOM 297 CG1 VAL A 18 -7.799 -5.332 -12.323 1.00 0.00 C ATOM 298 CG2 VAL A 18 -9.037 -7.427 -12.919 1.00 0.00 C ATOM 0 H VAL A 18 -9.016 -6.562 -15.175 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.262 -5.975 -14.347 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.009 -7.310 -12.282 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.215 -5.393 -11.317 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.811 -4.874 -12.280 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.453 -4.726 -12.950 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.436 -7.459 -11.905 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.725 -6.878 -13.563 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.921 -8.443 -13.295 1.00 0.00 H new ATOM 308 N GLU A 19 -5.406 -8.117 -15.299 1.00 0.00 N ATOM 309 CA GLU A 19 -4.820 -9.383 -15.720 1.00 0.00 C ATOM 310 C GLU A 19 -3.486 -9.625 -15.019 1.00 0.00 C ATOM 311 O GLU A 19 -2.468 -9.866 -15.667 1.00 0.00 O ATOM 312 CB GLU A 19 -4.621 -9.400 -17.237 1.00 0.00 C ATOM 313 CG GLU A 19 -3.799 -8.233 -17.756 1.00 0.00 C ATOM 314 CD GLU A 19 -4.653 -7.160 -18.403 1.00 0.00 C ATOM 315 OE1 GLU A 19 -5.746 -6.871 -17.873 1.00 0.00 O ATOM 316 OE2 GLU A 19 -4.228 -6.608 -19.440 1.00 0.00 O ATOM 0 H GLU A 19 -4.823 -7.300 -15.483 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.508 -10.182 -15.442 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.132 -10.332 -17.520 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.597 -9.391 -17.723 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.235 -7.796 -16.932 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.072 -8.599 -18.481 1.00 0.00 H new ATOM 323 N GLU A 20 -3.501 -9.557 -13.692 1.00 0.00 N ATOM 324 CA GLU A 20 -2.292 -9.767 -12.903 1.00 0.00 C ATOM 325 C GLU A 20 -1.894 -11.240 -12.899 1.00 0.00 C ATOM 326 O GLU A 20 -0.762 -11.587 -12.562 1.00 0.00 O ATOM 327 CB GLU A 20 -2.502 -9.280 -11.468 1.00 0.00 C ATOM 328 CG GLU A 20 -3.750 -9.845 -10.810 1.00 0.00 C ATOM 329 CD GLU A 20 -4.790 -8.780 -10.521 1.00 0.00 C ATOM 330 OE1 GLU A 20 -4.898 -7.824 -11.318 1.00 0.00 O ATOM 331 OE2 GLU A 20 -5.495 -8.901 -9.497 1.00 0.00 O ATOM 0 H GLU A 20 -4.336 -9.358 -13.141 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.486 -9.192 -13.360 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.632 -9.551 -10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.562 -8.192 -11.468 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.185 -10.606 -11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.473 -10.339 -9.879 1.00 0.00 H new ATOM 338 N ASP A 21 -2.833 -12.101 -13.275 1.00 0.00 N ATOM 339 CA ASP A 21 -2.581 -13.537 -13.316 1.00 0.00 C ATOM 340 C ASP A 21 -2.026 -13.953 -14.674 1.00 0.00 C ATOM 341 O ASP A 21 -2.472 -14.937 -15.265 1.00 0.00 O ATOM 342 CB ASP A 21 -3.866 -14.311 -13.017 1.00 0.00 C ATOM 343 CG ASP A 21 -4.362 -14.087 -11.602 1.00 0.00 C ATOM 344 OD1 ASP A 21 -3.520 -13.863 -10.708 1.00 0.00 O ATOM 345 OD2 ASP A 21 -5.591 -14.136 -11.389 1.00 0.00 O ATOM 0 H ASP A 21 -3.775 -11.830 -13.556 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.839 -13.772 -12.553 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.641 -14.009 -13.722 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.690 -15.375 -13.173 1.00 0.00 H new ATOM 350 N LYS A 22 -1.050 -13.197 -15.166 1.00 0.00 N ATOM 351 CA LYS A 22 -0.433 -13.486 -16.455 1.00 0.00 C ATOM 352 C LYS A 22 0.640 -12.454 -16.788 1.00 0.00 C ATOM 353 O LYS A 22 1.645 -12.773 -17.424 1.00 0.00 O ATOM 354 CB LYS A 22 -1.494 -13.509 -17.557 1.00 0.00 C ATOM 355 CG LYS A 22 -2.422 -12.307 -17.534 1.00 0.00 C ATOM 356 CD LYS A 22 -1.874 -11.163 -18.371 1.00 0.00 C ATOM 357 CE LYS A 22 -2.466 -11.165 -19.772 1.00 0.00 C ATOM 358 NZ LYS A 22 -2.250 -9.865 -20.467 1.00 0.00 N ATOM 0 H LYS A 22 -0.669 -12.379 -14.691 1.00 0.00 H new ATOM 0 HA LYS A 22 0.039 -14.467 -16.393 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.998 -13.556 -18.526 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.088 -14.418 -17.459 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.403 -12.597 -17.910 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.561 -11.973 -16.506 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.096 -10.214 -17.882 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.789 -11.243 -18.433 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.016 -11.968 -20.355 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.534 -11.373 -19.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.152 -9.352 -20.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.565 -9.295 -19.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.882 -10.040 -21.424 1.00 0.00 H new ATOM 372 N ILE A 23 0.420 -11.218 -16.353 1.00 0.00 N ATOM 373 CA ILE A 23 1.370 -10.141 -16.603 1.00 0.00 C ATOM 374 C ILE A 23 2.583 -10.253 -15.686 1.00 0.00 C ATOM 375 O ILE A 23 3.672 -9.788 -16.022 1.00 0.00 O ATOM 376 CB ILE A 23 0.718 -8.759 -16.407 1.00 0.00 C ATOM 377 CG1 ILE A 23 1.621 -7.660 -16.972 1.00 0.00 C ATOM 378 CG2 ILE A 23 0.434 -8.512 -14.933 1.00 0.00 C ATOM 379 CD1 ILE A 23 1.620 -7.595 -18.483 1.00 0.00 C ATOM 0 H ILE A 23 -0.407 -10.938 -15.826 1.00 0.00 H new ATOM 0 HA ILE A 23 1.692 -10.239 -17.640 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.228 -8.740 -16.948 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.300 -6.697 -16.575 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.641 -7.824 -16.624 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.027 -7.532 -14.810 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.243 -9.280 -14.559 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.368 -8.547 -14.372 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.281 -6.794 -18.813 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.970 -8.544 -18.888 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.608 -7.400 -18.838 1.00 0.00 H new ATOM 391 N GLN A 24 2.387 -10.875 -14.528 1.00 0.00 N ATOM 392 CA GLN A 24 3.466 -11.050 -13.563 1.00 0.00 C ATOM 393 C GLN A 24 4.161 -12.393 -13.760 1.00 0.00 C ATOM 394 O GLN A 24 3.827 -13.378 -13.102 1.00 0.00 O ATOM 395 CB GLN A 24 2.924 -10.947 -12.136 1.00 0.00 C ATOM 396 CG GLN A 24 3.310 -9.657 -11.430 1.00 0.00 C ATOM 397 CD GLN A 24 2.126 -8.738 -11.205 1.00 0.00 C ATOM 398 OE1 GLN A 24 1.444 -8.824 -10.184 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.875 -7.851 -12.161 1.00 0.00 N ATOM 0 H GLN A 24 1.492 -11.266 -14.235 1.00 0.00 H new ATOM 0 HA GLN A 24 4.196 -10.257 -13.725 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.837 -11.026 -12.163 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.291 -11.793 -11.555 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.767 -9.896 -10.470 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.063 -9.135 -12.021 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.467 -7.815 -12.991 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.091 -7.206 -12.065 1.00 0.00 H new ATOM 408 N MET A 25 5.128 -12.426 -14.672 1.00 0.00 N ATOM 409 CA MET A 25 5.869 -13.649 -14.955 1.00 0.00 C ATOM 410 C MET A 25 7.359 -13.455 -14.689 1.00 0.00 C ATOM 411 O MET A 25 8.157 -14.372 -14.879 1.00 0.00 O ATOM 412 CB MET A 25 5.650 -14.079 -16.407 1.00 0.00 C ATOM 413 CG MET A 25 4.319 -14.774 -16.640 1.00 0.00 C ATOM 414 SD MET A 25 4.510 -16.510 -17.086 1.00 0.00 S ATOM 415 CE MET A 25 3.529 -16.586 -18.582 1.00 0.00 C ATOM 0 H MET A 25 5.416 -11.620 -15.227 1.00 0.00 H new ATOM 0 HA MET A 25 5.498 -14.431 -14.292 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.710 -13.201 -17.050 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.457 -14.748 -16.705 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.712 -14.700 -15.738 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.777 -14.257 -17.432 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.104 -17.584 -18.688 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.724 -15.853 -18.527 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.161 -16.367 -19.443 1.00 0.00 H new ATOM 425 N ASN A 26 7.726 -12.256 -14.249 1.00 0.00 N ATOM 426 CA ASN A 26 9.120 -11.942 -13.958 1.00 0.00 C ATOM 427 C ASN A 26 9.967 -12.000 -15.225 1.00 0.00 C ATOM 428 O ASN A 26 11.195 -12.050 -15.162 1.00 0.00 O ATOM 429 CB ASN A 26 9.676 -12.914 -12.915 1.00 0.00 C ATOM 430 CG ASN A 26 8.702 -13.163 -11.779 1.00 0.00 C ATOM 431 OD1 ASN A 26 8.210 -14.277 -11.602 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.420 -12.123 -11.004 1.00 0.00 N ATOM 0 H ASN A 26 7.077 -11.486 -14.086 1.00 0.00 H new ATOM 0 HA ASN A 26 9.163 -10.928 -13.560 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.917 -13.861 -13.397 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.607 -12.516 -12.511 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.771 -12.229 -10.224 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.852 -11.218 -11.188 1.00 0.00 H new ATOM 439 N SER A 27 9.301 -11.991 -16.376 1.00 0.00 N ATOM 440 CA SER A 27 9.992 -12.046 -17.659 1.00 0.00 C ATOM 441 C SER A 27 9.765 -10.763 -18.453 1.00 0.00 C ATOM 442 O SER A 27 10.650 -9.915 -18.550 1.00 0.00 O ATOM 443 CB SER A 27 9.513 -13.253 -18.469 1.00 0.00 C ATOM 444 OG SER A 27 10.170 -13.318 -19.723 1.00 0.00 O ATOM 0 H SER A 27 8.284 -11.946 -16.446 1.00 0.00 H new ATOM 0 HA SER A 27 11.060 -12.149 -17.465 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.701 -14.169 -17.909 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.436 -13.188 -18.622 1.00 0.00 H new ATOM 0 HG SER A 27 9.848 -14.098 -20.221 1.00 0.00 H new ATOM 450 N ASN A 28 8.570 -10.630 -19.021 1.00 0.00 N ATOM 451 CA ASN A 28 8.225 -9.452 -19.808 1.00 0.00 C ATOM 452 C ASN A 28 6.748 -9.105 -19.649 1.00 0.00 C ATOM 453 O ASN A 28 5.955 -9.921 -19.178 1.00 0.00 O ATOM 454 CB ASN A 28 8.549 -9.686 -21.284 1.00 0.00 C ATOM 455 CG ASN A 28 9.955 -9.244 -21.645 1.00 0.00 C ATOM 456 OD1 ASN A 28 10.200 -8.066 -21.903 1.00 0.00 O ATOM 457 ND2 ASN A 28 10.886 -10.191 -21.664 1.00 0.00 N ATOM 0 H ASN A 28 7.825 -11.323 -18.951 1.00 0.00 H new ATOM 0 HA ASN A 28 8.818 -8.615 -19.441 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.433 -10.745 -21.515 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.831 -9.145 -21.901 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.850 -9.954 -21.899 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.637 -11.155 -21.443 1.00 0.00 H new ATOM 464 N PHE A 29 6.385 -7.890 -20.045 1.00 0.00 N ATOM 465 CA PHE A 29 5.003 -7.434 -19.947 1.00 0.00 C ATOM 466 C PHE A 29 4.240 -7.728 -21.236 1.00 0.00 C ATOM 467 O PHE A 29 3.118 -8.236 -21.205 1.00 0.00 O ATOM 468 CB PHE A 29 4.958 -5.935 -19.646 1.00 0.00 C ATOM 469 CG PHE A 29 4.577 -5.620 -18.227 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.416 -5.960 -17.179 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.379 -4.984 -17.943 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.069 -5.671 -15.872 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.027 -4.692 -16.639 1.00 0.00 C ATOM 474 CZ PHE A 29 3.872 -5.037 -15.602 1.00 0.00 C ATOM 0 H PHE A 29 7.029 -7.203 -20.437 1.00 0.00 H new ATOM 0 HA PHE A 29 4.525 -7.976 -19.131 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.935 -5.501 -19.856 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.246 -5.458 -20.319 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.353 -6.457 -17.385 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.713 -4.714 -18.749 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.733 -5.941 -15.064 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.092 -4.194 -16.431 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.597 -4.811 -14.582 1.00 0.00 H new ATOM 484 N THR A 30 4.857 -7.406 -22.368 1.00 0.00 N ATOM 485 CA THR A 30 4.237 -7.633 -23.668 1.00 0.00 C ATOM 486 C THR A 30 5.102 -8.537 -24.538 1.00 0.00 C ATOM 487 O THR A 30 4.885 -8.646 -25.746 1.00 0.00 O ATOM 488 CB THR A 30 3.990 -6.307 -24.411 1.00 0.00 C ATOM 489 OG1 THR A 30 3.342 -6.561 -25.663 1.00 0.00 O ATOM 490 CG2 THR A 30 5.298 -5.569 -24.652 1.00 0.00 C ATOM 0 H THR A 30 5.786 -6.987 -22.411 1.00 0.00 H new ATOM 0 HA THR A 30 3.280 -8.120 -23.482 1.00 0.00 H new ATOM 0 HB THR A 30 3.348 -5.682 -23.790 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.760 -7.334 -26.097 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.098 -4.636 -25.178 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.775 -5.352 -23.696 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.961 -6.190 -25.255 1.00 0.00 H new ATOM 498 N LYS A 31 6.082 -9.186 -23.919 1.00 0.00 N ATOM 499 CA LYS A 31 6.980 -10.084 -24.637 1.00 0.00 C ATOM 500 C LYS A 31 6.901 -11.498 -24.071 1.00 0.00 C ATOM 501 O LYS A 31 7.148 -12.474 -24.779 1.00 0.00 O ATOM 502 CB LYS A 31 8.419 -9.570 -24.558 1.00 0.00 C ATOM 503 CG LYS A 31 8.519 -8.074 -24.312 1.00 0.00 C ATOM 504 CD LYS A 31 9.874 -7.530 -24.729 1.00 0.00 C ATOM 505 CE LYS A 31 10.061 -6.090 -24.274 1.00 0.00 C ATOM 506 NZ LYS A 31 11.406 -5.868 -23.675 1.00 0.00 N ATOM 0 H LYS A 31 6.275 -9.107 -22.921 1.00 0.00 H new ATOM 0 HA LYS A 31 6.668 -10.112 -25.681 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.940 -10.097 -23.759 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.934 -9.812 -25.488 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.733 -7.560 -24.866 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.352 -7.866 -23.255 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.663 -8.152 -24.306 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.972 -7.586 -25.813 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.927 -5.420 -25.124 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.292 -5.837 -23.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.482 -4.884 -23.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.538 -6.513 -22.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.139 -6.052 -24.390 1.00 0.00 H new ATOM 520 N ASP A 32 6.556 -11.600 -22.792 1.00 0.00 N ATOM 521 CA ASP A 32 6.442 -12.896 -22.132 1.00 0.00 C ATOM 522 C ASP A 32 5.038 -13.469 -22.297 1.00 0.00 C ATOM 523 O ASP A 32 4.864 -14.676 -22.466 1.00 0.00 O ATOM 524 CB ASP A 32 6.783 -12.767 -20.647 1.00 0.00 C ATOM 525 CG ASP A 32 6.448 -14.022 -19.865 1.00 0.00 C ATOM 526 OD1 ASP A 32 7.318 -14.913 -19.774 1.00 0.00 O ATOM 527 OD2 ASP A 32 5.316 -14.113 -19.345 1.00 0.00 O ATOM 0 H ASP A 32 6.350 -10.801 -22.192 1.00 0.00 H new ATOM 0 HA ASP A 32 7.150 -13.579 -22.601 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.845 -12.548 -20.539 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.239 -11.923 -20.224 1.00 0.00 H new ATOM 532 N LEU A 33 4.039 -12.595 -22.245 1.00 0.00 N ATOM 533 CA LEU A 33 2.648 -13.014 -22.388 1.00 0.00 C ATOM 534 C LEU A 33 2.109 -12.651 -23.768 1.00 0.00 C ATOM 535 O LEU A 33 1.331 -13.400 -24.357 1.00 0.00 O ATOM 536 CB LEU A 33 1.786 -12.364 -21.304 1.00 0.00 C ATOM 537 CG LEU A 33 2.143 -10.923 -20.936 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.885 -10.115 -20.662 1.00 0.00 C ATOM 539 CD2 LEU A 33 3.070 -10.895 -19.729 1.00 0.00 C ATOM 0 H LEU A 33 4.165 -11.593 -22.105 1.00 0.00 H new ATOM 0 HA LEU A 33 2.607 -14.097 -22.276 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.747 -12.387 -21.632 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.850 -12.974 -20.403 1.00 0.00 H new ATOM 0 HG LEU A 33 2.664 -10.471 -21.780 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.159 -9.093 -20.402 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.257 -10.107 -21.553 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.336 -10.565 -19.835 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.314 -9.862 -19.481 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.575 -11.365 -18.879 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.986 -11.438 -19.961 1.00 0.00 H new ATOM 551 N GLY A 34 2.530 -11.498 -24.278 1.00 0.00 N ATOM 552 CA GLY A 34 2.081 -11.057 -25.586 1.00 0.00 C ATOM 553 C GLY A 34 0.723 -10.386 -25.537 1.00 0.00 C ATOM 554 O GLY A 34 -0.204 -10.793 -26.236 1.00 0.00 O ATOM 0 H GLY A 34 3.174 -10.861 -23.809 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.811 -10.363 -26.002 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.036 -11.913 -26.259 1.00 0.00 H new ATOM 558 N ALA A 35 0.604 -9.354 -24.707 1.00 0.00 N ATOM 559 CA ALA A 35 -0.650 -8.625 -24.569 1.00 0.00 C ATOM 560 C ALA A 35 -0.907 -7.740 -25.785 1.00 0.00 C ATOM 561 O ALA A 35 -1.728 -8.069 -26.641 1.00 0.00 O ATOM 562 CB ALA A 35 -0.638 -7.789 -23.298 1.00 0.00 C ATOM 0 H ALA A 35 1.362 -9.005 -24.120 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.459 -9.352 -24.504 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.581 -7.250 -23.208 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.509 -8.442 -22.434 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.185 -7.076 -23.339 1.00 0.00 H new ATOM 568 N ASP A 36 -0.201 -6.617 -25.852 1.00 0.00 N ATOM 569 CA ASP A 36 -0.352 -5.685 -26.963 1.00 0.00 C ATOM 570 C ASP A 36 0.579 -4.488 -26.799 1.00 0.00 C ATOM 571 O ASP A 36 0.659 -3.851 -25.750 1.00 0.00 O ATOM 572 CB ASP A 36 -1.802 -5.209 -27.064 1.00 0.00 C ATOM 573 CG ASP A 36 -2.436 -5.559 -28.396 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.886 -6.713 -28.553 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.482 -4.679 -29.281 1.00 0.00 O ATOM 0 H ASP A 36 0.481 -6.330 -25.150 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.084 -6.207 -27.882 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.385 -5.656 -26.259 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.837 -4.129 -26.921 1.00 0.00 H new ATOM 580 N SER A 37 1.319 -4.160 -27.873 1.00 0.00 N ATOM 581 CA SER A 37 2.296 -3.051 -27.954 1.00 0.00 C ATOM 582 C SER A 37 1.692 -1.696 -27.547 1.00 0.00 C ATOM 583 O SER A 37 2.249 -0.957 -26.733 1.00 0.00 O ATOM 584 CB SER A 37 2.829 -3.026 -29.396 1.00 0.00 C ATOM 585 OG SER A 37 1.798 -2.674 -30.319 1.00 0.00 O ATOM 0 H SER A 37 1.252 -4.681 -28.748 1.00 0.00 H new ATOM 0 HA SER A 37 3.106 -3.221 -27.244 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.649 -2.311 -29.472 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.234 -4.004 -29.654 1.00 0.00 H new ATOM 0 HG SER A 37 2.163 -2.663 -31.229 1.00 0.00 H new ATOM 590 N LEU A 38 0.540 -1.389 -28.133 1.00 0.00 N ATOM 591 CA LEU A 38 -0.153 -0.137 -27.848 1.00 0.00 C ATOM 592 C LEU A 38 -0.709 -0.133 -26.428 1.00 0.00 C ATOM 593 O LEU A 38 -0.629 0.872 -25.721 1.00 0.00 O ATOM 594 CB LEU A 38 -1.286 0.082 -28.852 1.00 0.00 C ATOM 595 CG LEU A 38 -0.996 -0.341 -30.293 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.551 -1.731 -30.563 1.00 0.00 C ATOM 597 CD2 LEU A 38 -1.579 0.667 -31.272 1.00 0.00 C ATOM 0 H LEU A 38 0.066 -1.989 -28.808 1.00 0.00 H new ATOM 0 HA LEU A 38 0.567 0.676 -27.939 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.164 -0.463 -28.504 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.547 1.140 -28.850 1.00 0.00 H new ATOM 0 HG LEU A 38 0.085 -0.370 -30.433 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.335 -2.015 -31.593 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.087 -2.446 -29.884 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.630 -1.729 -30.405 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.363 0.350 -32.292 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.658 0.728 -31.132 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.134 1.646 -31.094 1.00 0.00 H new ATOM 609 N ASP A 39 -1.271 -1.264 -26.015 1.00 0.00 N ATOM 610 CA ASP A 39 -1.838 -1.393 -24.678 1.00 0.00 C ATOM 611 C ASP A 39 -0.759 -1.228 -23.612 1.00 0.00 C ATOM 612 O ASP A 39 -0.836 -0.334 -22.768 1.00 0.00 O ATOM 613 CB ASP A 39 -2.525 -2.751 -24.521 1.00 0.00 C ATOM 614 CG ASP A 39 -3.829 -2.832 -25.289 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.524 -1.799 -25.391 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.155 -3.929 -25.788 1.00 0.00 O ATOM 0 H ASP A 39 -1.346 -2.105 -26.587 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.578 -0.603 -24.546 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.853 -3.537 -24.867 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.717 -2.938 -23.464 1.00 0.00 H new ATOM 621 N LEU A 40 0.245 -2.096 -23.655 1.00 0.00 N ATOM 622 CA LEU A 40 1.340 -2.048 -22.693 1.00 0.00 C ATOM 623 C LEU A 40 1.916 -0.639 -22.593 1.00 0.00 C ATOM 624 O LEU A 40 2.118 -0.116 -21.497 1.00 0.00 O ATOM 625 CB LEU A 40 2.440 -3.034 -23.092 1.00 0.00 C ATOM 626 CG LEU A 40 3.020 -3.885 -21.962 1.00 0.00 C ATOM 627 CD1 LEU A 40 3.482 -3.004 -20.812 1.00 0.00 C ATOM 628 CD2 LEU A 40 1.995 -4.901 -21.480 1.00 0.00 C ATOM 0 H LEU A 40 0.324 -2.842 -24.346 1.00 0.00 H new ATOM 0 HA LEU A 40 0.945 -2.329 -21.717 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.042 -3.702 -23.856 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.254 -2.473 -23.552 1.00 0.00 H new ATOM 0 HG LEU A 40 3.885 -4.425 -22.347 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.892 -3.628 -20.018 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.250 -2.317 -21.166 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.636 -2.435 -20.427 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.425 -5.498 -20.676 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.111 -4.380 -21.112 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.714 -5.554 -22.306 1.00 0.00 H new ATOM 640 N VAL A 41 2.176 -0.029 -23.745 1.00 0.00 N ATOM 641 CA VAL A 41 2.725 1.321 -23.787 1.00 0.00 C ATOM 642 C VAL A 41 1.700 2.347 -23.314 1.00 0.00 C ATOM 643 O VAL A 41 2.060 3.423 -22.839 1.00 0.00 O ATOM 644 CB VAL A 41 3.189 1.694 -25.208 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.639 3.146 -25.259 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.304 0.765 -25.664 1.00 0.00 C ATOM 0 H VAL A 41 2.015 -0.448 -24.661 1.00 0.00 H new ATOM 0 HA VAL A 41 3.584 1.334 -23.116 1.00 0.00 H new ATOM 0 HB VAL A 41 2.347 1.576 -25.890 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.963 3.391 -26.270 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.809 3.794 -24.977 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.467 3.295 -24.566 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.620 1.042 -26.670 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.150 0.849 -24.982 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.942 -0.263 -25.668 1.00 0.00 H new ATOM 656 N GLU A 42 0.423 2.004 -23.447 1.00 0.00 N ATOM 657 CA GLU A 42 -0.654 2.895 -23.032 1.00 0.00 C ATOM 658 C GLU A 42 -0.752 2.959 -21.511 1.00 0.00 C ATOM 659 O GLU A 42 -0.528 4.008 -20.906 1.00 0.00 O ATOM 660 CB GLU A 42 -1.987 2.429 -23.622 1.00 0.00 C ATOM 661 CG GLU A 42 -2.406 3.199 -24.863 1.00 0.00 C ATOM 662 CD GLU A 42 -3.592 4.109 -24.612 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.376 5.265 -24.194 1.00 0.00 O ATOM 664 OE2 GLU A 42 -4.738 3.664 -24.836 1.00 0.00 O ATOM 0 H GLU A 42 0.109 1.116 -23.839 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.429 3.894 -23.406 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.915 1.370 -23.869 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.764 2.527 -22.864 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.565 3.794 -25.218 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.655 2.494 -25.656 1.00 0.00 H new ATOM 671 N LEU A 43 -1.089 1.829 -20.898 1.00 0.00 N ATOM 672 CA LEU A 43 -1.218 1.755 -19.447 1.00 0.00 C ATOM 673 C LEU A 43 0.012 2.340 -18.760 1.00 0.00 C ATOM 674 O LEU A 43 -0.102 3.052 -17.762 1.00 0.00 O ATOM 675 CB LEU A 43 -1.421 0.305 -19.007 1.00 0.00 C ATOM 676 CG LEU A 43 -0.354 -0.691 -19.464 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.552 -1.072 -18.303 1.00 0.00 C ATOM 678 CD2 LEU A 43 -1.003 -1.929 -20.065 1.00 0.00 C ATOM 0 H LEU A 43 -1.278 0.952 -21.383 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.088 2.342 -19.154 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.470 0.280 -17.918 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.388 -0.034 -19.378 1.00 0.00 H new ATOM 0 HG LEU A 43 0.255 -0.215 -20.233 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.305 -1.781 -18.647 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.044 -0.179 -17.917 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.043 -1.529 -17.512 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.229 -2.627 -20.385 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.636 -2.407 -19.318 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.609 -1.641 -20.924 1.00 0.00 H new ATOM 690 N ILE A 44 1.186 2.036 -19.303 1.00 0.00 N ATOM 691 CA ILE A 44 2.437 2.534 -18.744 1.00 0.00 C ATOM 692 C ILE A 44 2.505 4.055 -18.818 1.00 0.00 C ATOM 693 O ILE A 44 2.842 4.720 -17.838 1.00 0.00 O ATOM 694 CB ILE A 44 3.656 1.941 -19.476 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.845 0.473 -19.091 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.908 2.744 -19.156 1.00 0.00 C ATOM 697 CD1 ILE A 44 4.422 0.281 -17.706 1.00 0.00 C ATOM 0 H ILE A 44 1.297 1.448 -20.129 1.00 0.00 H new ATOM 0 HA ILE A 44 2.463 2.222 -17.700 1.00 0.00 H new ATOM 0 HB ILE A 44 3.478 1.995 -20.550 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.883 -0.036 -19.149 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.502 -0.003 -19.819 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.761 2.313 -19.680 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.770 3.777 -19.476 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.092 2.719 -18.082 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.528 -0.784 -17.501 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.399 0.761 -17.649 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.755 0.728 -16.969 1.00 0.00 H new ATOM 709 N MET A 45 2.180 4.601 -19.985 1.00 0.00 N ATOM 710 CA MET A 45 2.201 6.045 -20.186 1.00 0.00 C ATOM 711 C MET A 45 1.407 6.757 -19.094 1.00 0.00 C ATOM 712 O MET A 45 1.708 7.895 -18.737 1.00 0.00 O ATOM 713 CB MET A 45 1.630 6.399 -21.560 1.00 0.00 C ATOM 714 CG MET A 45 0.149 6.737 -21.535 1.00 0.00 C ATOM 715 SD MET A 45 -0.158 8.502 -21.324 1.00 0.00 S ATOM 716 CE MET A 45 -1.870 8.488 -20.800 1.00 0.00 C ATOM 0 H MET A 45 1.899 4.065 -20.806 1.00 0.00 H new ATOM 0 HA MET A 45 3.237 6.379 -20.135 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.181 7.248 -21.965 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.791 5.561 -22.238 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.312 6.401 -22.464 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.331 6.189 -20.724 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.249 9.510 -20.766 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.462 7.905 -21.506 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.943 8.041 -19.809 1.00 0.00 H new ATOM 726 N ALA A 46 0.392 6.078 -18.569 1.00 0.00 N ATOM 727 CA ALA A 46 -0.444 6.646 -17.518 1.00 0.00 C ATOM 728 C ALA A 46 0.217 6.496 -16.152 1.00 0.00 C ATOM 729 O ALA A 46 0.107 7.377 -15.298 1.00 0.00 O ATOM 730 CB ALA A 46 -1.814 5.985 -17.519 1.00 0.00 C ATOM 0 H ALA A 46 0.129 5.135 -18.854 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.566 7.710 -17.719 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.428 6.419 -16.729 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.296 6.147 -18.483 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.702 4.915 -17.345 1.00 0.00 H new ATOM 736 N LEU A 47 0.901 5.376 -15.950 1.00 0.00 N ATOM 737 CA LEU A 47 1.580 5.110 -14.686 1.00 0.00 C ATOM 738 C LEU A 47 2.697 6.120 -14.445 1.00 0.00 C ATOM 739 O LEU A 47 2.977 6.489 -13.305 1.00 0.00 O ATOM 740 CB LEU A 47 2.149 3.691 -14.679 1.00 0.00 C ATOM 741 CG LEU A 47 3.584 3.546 -14.170 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.802 2.164 -13.573 1.00 0.00 C ATOM 743 CD2 LEU A 47 4.577 3.807 -15.293 1.00 0.00 C ATOM 0 H LEU A 47 1.001 4.636 -16.645 1.00 0.00 H new ATOM 0 HA LEU A 47 0.850 5.205 -13.882 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.502 3.065 -14.065 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.103 3.298 -15.695 1.00 0.00 H new ATOM 0 HG LEU A 47 3.748 4.287 -13.387 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.829 2.080 -13.216 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.115 2.015 -12.740 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.619 1.406 -14.334 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.593 3.699 -14.913 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.413 3.090 -16.098 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.437 4.819 -15.674 1.00 0.00 H new ATOM 755 N GLU A 48 3.330 6.564 -15.527 1.00 0.00 N ATOM 756 CA GLU A 48 4.416 7.533 -15.432 1.00 0.00 C ATOM 757 C GLU A 48 3.869 8.952 -15.304 1.00 0.00 C ATOM 758 O GLU A 48 4.358 9.746 -14.501 1.00 0.00 O ATOM 759 CB GLU A 48 5.326 7.434 -16.657 1.00 0.00 C ATOM 760 CG GLU A 48 4.606 7.680 -17.972 1.00 0.00 C ATOM 761 CD GLU A 48 5.486 7.415 -19.178 1.00 0.00 C ATOM 762 OE1 GLU A 48 5.731 6.229 -19.484 1.00 0.00 O ATOM 763 OE2 GLU A 48 5.930 8.392 -19.816 1.00 0.00 O ATOM 0 H GLU A 48 3.110 6.269 -16.478 1.00 0.00 H new ATOM 0 HA GLU A 48 4.996 7.304 -14.538 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.137 8.156 -16.556 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.781 6.444 -16.682 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.724 7.042 -18.024 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.256 8.712 -18.002 1.00 0.00 H new ATOM 770 N GLU A 49 2.853 9.263 -16.103 1.00 0.00 N ATOM 771 CA GLU A 49 2.241 10.586 -16.081 1.00 0.00 C ATOM 772 C GLU A 49 1.757 10.938 -14.677 1.00 0.00 C ATOM 773 O GLU A 49 1.802 12.098 -14.265 1.00 0.00 O ATOM 774 CB GLU A 49 1.072 10.649 -17.065 1.00 0.00 C ATOM 775 CG GLU A 49 1.277 11.648 -18.192 1.00 0.00 C ATOM 776 CD GLU A 49 0.045 11.809 -19.060 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.976 11.152 -18.770 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.103 12.593 -20.031 1.00 0.00 O ATOM 0 H GLU A 49 2.437 8.617 -16.773 1.00 0.00 H new ATOM 0 HA GLU A 49 2.997 11.312 -16.380 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.915 9.659 -17.493 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.164 10.909 -16.521 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.548 12.616 -17.770 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.114 11.325 -18.811 1.00 0.00 H new ATOM 785 N LYS A 50 1.295 9.929 -13.946 1.00 0.00 N ATOM 786 CA LYS A 50 0.803 10.129 -12.588 1.00 0.00 C ATOM 787 C LYS A 50 1.957 10.160 -11.591 1.00 0.00 C ATOM 788 O LYS A 50 1.974 10.979 -10.671 1.00 0.00 O ATOM 789 CB LYS A 50 -0.181 9.020 -12.212 1.00 0.00 C ATOM 790 CG LYS A 50 -0.352 8.841 -10.713 1.00 0.00 C ATOM 791 CD LYS A 50 -0.722 10.149 -10.034 1.00 0.00 C ATOM 792 CE LYS A 50 -1.969 10.000 -9.177 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.175 9.704 -9.999 1.00 0.00 N ATOM 0 H LYS A 50 1.251 8.963 -14.272 1.00 0.00 H new ATOM 0 HA LYS A 50 0.289 11.089 -12.552 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.152 9.241 -12.656 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.161 8.080 -12.645 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.126 8.098 -10.520 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.573 8.456 -10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.109 10.486 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.888 10.918 -10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.818 9.200 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.132 10.917 -8.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.031 9.940 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.149 10.272 -10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.188 8.694 -10.245 1.00 0.00 H new ATOM 807 N PHE A 51 2.920 9.264 -11.779 1.00 0.00 N ATOM 808 CA PHE A 51 4.078 9.189 -10.896 1.00 0.00 C ATOM 809 C PHE A 51 4.902 10.471 -10.970 1.00 0.00 C ATOM 810 O PHE A 51 5.740 10.734 -10.108 1.00 0.00 O ATOM 811 CB PHE A 51 4.949 7.986 -11.263 1.00 0.00 C ATOM 812 CG PHE A 51 4.731 6.794 -10.376 1.00 0.00 C ATOM 813 CD1 PHE A 51 4.684 6.939 -8.999 1.00 0.00 C ATOM 814 CD2 PHE A 51 4.572 5.530 -10.919 1.00 0.00 C ATOM 815 CE1 PHE A 51 4.483 5.843 -8.180 1.00 0.00 C ATOM 816 CE2 PHE A 51 4.371 4.431 -10.105 1.00 0.00 C ATOM 817 CZ PHE A 51 4.326 4.588 -8.734 1.00 0.00 C ATOM 0 H PHE A 51 2.921 8.579 -12.535 1.00 0.00 H new ATOM 0 HA PHE A 51 3.718 9.069 -9.874 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.746 7.702 -12.296 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.998 8.279 -11.213 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.806 7.918 -8.560 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.605 5.401 -11.991 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.449 5.969 -7.108 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.249 3.450 -10.541 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.168 3.731 -8.096 1.00 0.00 H new ATOM 827 N ASN A 52 4.659 11.265 -12.008 1.00 0.00 N ATOM 828 CA ASN A 52 5.379 12.519 -12.197 1.00 0.00 C ATOM 829 C ASN A 52 6.839 12.259 -12.555 1.00 0.00 C ATOM 830 O ASN A 52 7.748 12.840 -11.962 1.00 0.00 O ATOM 831 CB ASN A 52 5.297 13.374 -10.931 1.00 0.00 C ATOM 832 CG ASN A 52 5.472 14.852 -11.219 1.00 0.00 C ATOM 833 OD1 ASN A 52 4.850 15.396 -12.132 1.00 0.00 O ATOM 834 ND2 ASN A 52 6.324 15.510 -10.441 1.00 0.00 N ATOM 0 H ASN A 52 3.969 11.062 -12.731 1.00 0.00 H new ATOM 0 HA ASN A 52 4.911 13.057 -13.022 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.333 13.212 -10.449 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.064 13.051 -10.227 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.484 16.506 -10.589 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.818 15.019 -9.696 1.00 0.00 H new ATOM 841 N VAL A 53 7.057 11.381 -13.529 1.00 0.00 N ATOM 842 CA VAL A 53 8.406 11.045 -13.968 1.00 0.00 C ATOM 843 C VAL A 53 8.597 11.358 -15.447 1.00 0.00 C ATOM 844 O VAL A 53 7.696 11.880 -16.105 1.00 0.00 O ATOM 845 CB VAL A 53 8.721 9.557 -13.724 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.577 9.389 -12.479 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.435 8.752 -13.610 1.00 0.00 C ATOM 0 H VAL A 53 6.316 10.889 -14.029 1.00 0.00 H new ATOM 0 HA VAL A 53 9.091 11.655 -13.380 1.00 0.00 H new ATOM 0 HB VAL A 53 9.285 9.179 -14.577 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.789 8.331 -12.323 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.514 9.932 -12.605 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.043 9.783 -11.614 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.676 7.703 -13.438 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.842 9.129 -12.777 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.864 8.846 -14.534 1.00 0.00 H new ATOM 857 N THR A 54 9.777 11.035 -15.968 1.00 0.00 N ATOM 858 CA THR A 54 10.087 11.282 -17.370 1.00 0.00 C ATOM 859 C THR A 54 10.788 10.083 -17.998 1.00 0.00 C ATOM 860 O THR A 54 11.978 10.141 -18.311 1.00 0.00 O ATOM 861 CB THR A 54 10.977 12.528 -17.537 1.00 0.00 C ATOM 862 OG1 THR A 54 11.352 12.682 -18.911 1.00 0.00 O ATOM 863 CG2 THR A 54 12.226 12.421 -16.675 1.00 0.00 C ATOM 0 H THR A 54 10.534 10.601 -15.439 1.00 0.00 H new ATOM 0 HA THR A 54 9.138 11.451 -17.878 1.00 0.00 H new ATOM 0 HB THR A 54 10.407 13.400 -17.216 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.997 11.985 -19.154 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.839 13.312 -16.810 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.939 12.333 -15.627 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.797 11.540 -16.969 1.00 0.00 H new ATOM 871 N ILE A 55 10.044 8.997 -18.180 1.00 0.00 N ATOM 872 CA ILE A 55 10.595 7.785 -18.773 1.00 0.00 C ATOM 873 C ILE A 55 10.054 7.567 -20.182 1.00 0.00 C ATOM 874 O ILE A 55 10.785 7.696 -21.164 1.00 0.00 O ATOM 875 CB ILE A 55 10.276 6.545 -17.916 1.00 0.00 C ATOM 876 CG1 ILE A 55 10.018 6.954 -16.464 1.00 0.00 C ATOM 877 CG2 ILE A 55 11.416 5.541 -17.994 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.569 7.282 -16.178 1.00 0.00 C ATOM 0 H ILE A 55 9.058 8.932 -17.925 1.00 0.00 H new ATOM 0 HA ILE A 55 11.676 7.919 -18.818 1.00 0.00 H new ATOM 0 HB ILE A 55 9.374 6.073 -18.307 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.336 6.146 -15.805 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.633 7.822 -16.224 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.176 4.670 -17.384 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.557 5.231 -19.029 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.332 6.002 -17.625 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.460 7.563 -15.131 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.252 8.110 -16.811 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.950 6.409 -16.386 1.00 0.00 H new ATOM 890 N SER A 56 8.770 7.239 -20.273 1.00 0.00 N ATOM 891 CA SER A 56 8.131 7.001 -21.563 1.00 0.00 C ATOM 892 C SER A 56 8.761 5.804 -22.269 1.00 0.00 C ATOM 893 O SER A 56 8.267 4.681 -22.170 1.00 0.00 O ATOM 894 CB SER A 56 8.241 8.245 -22.447 1.00 0.00 C ATOM 895 OG SER A 56 7.057 9.021 -22.385 1.00 0.00 O ATOM 0 H SER A 56 8.151 7.132 -19.469 1.00 0.00 H new ATOM 0 HA SER A 56 7.078 6.782 -21.385 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.092 8.848 -22.128 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.430 7.947 -23.478 1.00 0.00 H new ATOM 0 HG SER A 56 6.614 8.874 -21.523 1.00 0.00 H new ATOM 901 N ASP A 57 9.855 6.054 -22.981 1.00 0.00 N ATOM 902 CA ASP A 57 10.554 4.998 -23.703 1.00 0.00 C ATOM 903 C ASP A 57 11.092 3.945 -22.739 1.00 0.00 C ATOM 904 O ASP A 57 10.601 2.817 -22.702 1.00 0.00 O ATOM 905 CB ASP A 57 11.701 5.587 -24.526 1.00 0.00 C ATOM 906 CG ASP A 57 11.328 5.784 -25.982 1.00 0.00 C ATOM 907 OD1 ASP A 57 10.155 6.116 -26.253 1.00 0.00 O ATOM 908 OD2 ASP A 57 12.207 5.605 -26.850 1.00 0.00 O ATOM 0 H ASP A 57 10.276 6.978 -23.073 1.00 0.00 H new ATOM 0 HA ASP A 57 9.843 4.519 -24.376 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.997 6.544 -24.097 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.566 4.927 -24.462 1.00 0.00 H new ATOM 913 N GLN A 58 12.103 4.321 -21.963 1.00 0.00 N ATOM 914 CA GLN A 58 12.708 3.408 -21.001 1.00 0.00 C ATOM 915 C GLN A 58 11.639 2.712 -20.164 1.00 0.00 C ATOM 916 O GLN A 58 11.822 1.576 -19.727 1.00 0.00 O ATOM 917 CB GLN A 58 13.676 4.163 -20.088 1.00 0.00 C ATOM 918 CG GLN A 58 15.113 4.153 -20.583 1.00 0.00 C ATOM 919 CD GLN A 58 15.633 2.752 -20.836 1.00 0.00 C ATOM 920 OE1 GLN A 58 16.050 2.055 -19.911 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.611 2.330 -22.095 1.00 0.00 N ATOM 0 H GLN A 58 12.520 5.252 -21.982 1.00 0.00 H new ATOM 0 HA GLN A 58 13.260 2.649 -21.556 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.341 5.196 -19.992 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.641 3.723 -19.092 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.180 4.733 -21.503 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.750 4.646 -19.848 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.257 2.940 -22.831 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.948 1.395 -22.326 1.00 0.00 H new ATOM 930 N ASP A 59 10.525 3.401 -19.946 1.00 0.00 N ATOM 931 CA ASP A 59 9.426 2.849 -19.162 1.00 0.00 C ATOM 932 C ASP A 59 9.029 1.469 -19.679 1.00 0.00 C ATOM 933 O ASP A 59 9.259 0.458 -19.016 1.00 0.00 O ATOM 934 CB ASP A 59 8.220 3.788 -19.203 1.00 0.00 C ATOM 935 CG ASP A 59 7.798 4.249 -17.822 1.00 0.00 C ATOM 936 OD1 ASP A 59 8.672 4.341 -16.934 1.00 0.00 O ATOM 937 OD2 ASP A 59 6.594 4.519 -17.629 1.00 0.00 O ATOM 0 H ASP A 59 10.359 4.343 -20.301 1.00 0.00 H new ATOM 0 HA ASP A 59 9.763 2.748 -18.130 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.461 4.657 -19.815 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.384 3.280 -19.685 1.00 0.00 H new ATOM 942 N ALA A 60 8.432 1.436 -20.865 1.00 0.00 N ATOM 943 CA ALA A 60 8.004 0.181 -21.471 1.00 0.00 C ATOM 944 C ALA A 60 9.147 -0.828 -21.507 1.00 0.00 C ATOM 945 O ALA A 60 8.926 -2.036 -21.406 1.00 0.00 O ATOM 946 CB ALA A 60 7.471 0.428 -22.874 1.00 0.00 C ATOM 0 H ALA A 60 8.233 2.264 -21.426 1.00 0.00 H new ATOM 0 HA ALA A 60 7.205 -0.236 -20.859 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.155 -0.517 -23.315 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.621 1.108 -22.826 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.255 0.871 -23.488 1.00 0.00 H new ATOM 952 N LEU A 61 10.369 -0.327 -21.652 1.00 0.00 N ATOM 953 CA LEU A 61 11.547 -1.185 -21.702 1.00 0.00 C ATOM 954 C LEU A 61 12.186 -1.314 -20.323 1.00 0.00 C ATOM 955 O LEU A 61 13.400 -1.478 -20.201 1.00 0.00 O ATOM 956 CB LEU A 61 12.566 -0.629 -22.698 1.00 0.00 C ATOM 957 CG LEU A 61 12.161 -0.681 -24.172 1.00 0.00 C ATOM 958 CD1 LEU A 61 12.991 0.298 -24.988 1.00 0.00 C ATOM 959 CD2 LEU A 61 12.311 -2.094 -24.716 1.00 0.00 C ATOM 0 H LEU A 61 10.570 0.669 -21.737 1.00 0.00 H new ATOM 0 HA LEU A 61 11.230 -2.175 -22.030 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.773 0.408 -22.435 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.499 -1.180 -22.579 1.00 0.00 H new ATOM 0 HG LEU A 61 11.113 -0.392 -24.252 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.689 0.247 -26.034 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.833 1.309 -24.613 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.047 0.040 -24.902 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.019 -2.113 -25.766 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.350 -2.411 -24.623 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.672 -2.772 -24.149 1.00 0.00 H new ATOM 971 N LYS A 62 11.359 -1.242 -19.285 1.00 0.00 N ATOM 972 CA LYS A 62 11.841 -1.354 -17.913 1.00 0.00 C ATOM 973 C LYS A 62 10.857 -2.141 -17.053 1.00 0.00 C ATOM 974 O LYS A 62 11.225 -3.129 -16.419 1.00 0.00 O ATOM 975 CB LYS A 62 12.062 0.036 -17.313 1.00 0.00 C ATOM 976 CG LYS A 62 12.553 0.007 -15.876 1.00 0.00 C ATOM 977 CD LYS A 62 14.022 0.384 -15.781 1.00 0.00 C ATOM 978 CE LYS A 62 14.251 1.836 -16.173 1.00 0.00 C ATOM 979 NZ LYS A 62 14.949 2.596 -15.099 1.00 0.00 N ATOM 0 H LYS A 62 10.351 -1.107 -19.368 1.00 0.00 H new ATOM 0 HA LYS A 62 12.790 -1.890 -17.930 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.785 0.576 -17.924 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.127 0.595 -17.358 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.960 0.696 -15.274 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.404 -0.989 -15.460 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.376 0.221 -14.763 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.608 -0.266 -16.430 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.841 1.876 -17.089 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.293 2.309 -16.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.087 3.581 -15.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.375 2.579 -14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.874 2.160 -14.910 1.00 0.00 H new ATOM 993 N ILE A 63 9.605 -1.696 -17.038 1.00 0.00 N ATOM 994 CA ILE A 63 8.568 -2.360 -16.258 1.00 0.00 C ATOM 995 C ILE A 63 8.336 -3.784 -16.752 1.00 0.00 C ATOM 996 O ILE A 63 7.731 -4.601 -16.060 1.00 0.00 O ATOM 997 CB ILE A 63 7.238 -1.586 -16.315 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.379 -0.235 -15.610 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.121 -2.404 -15.684 1.00 0.00 C ATOM 1000 CD1 ILE A 63 7.888 0.867 -16.513 1.00 0.00 C ATOM 0 H ILE A 63 9.284 -0.879 -17.557 1.00 0.00 H new ATOM 0 HA ILE A 63 8.918 -2.388 -15.226 1.00 0.00 H new ATOM 0 HB ILE A 63 6.984 -1.406 -17.360 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.410 0.057 -15.204 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.059 -0.344 -14.765 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.188 -1.843 -15.732 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.008 -3.344 -16.225 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.366 -2.612 -14.642 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.963 1.796 -15.947 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.871 0.596 -16.899 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.197 1.004 -17.345 1.00 0.00 H new ATOM 1012 N ASN A 64 8.823 -4.074 -17.954 1.00 0.00 N ATOM 1013 CA ASN A 64 8.670 -5.401 -18.541 1.00 0.00 C ATOM 1014 C ASN A 64 9.001 -6.488 -17.523 1.00 0.00 C ATOM 1015 O ASN A 64 8.372 -7.546 -17.501 1.00 0.00 O ATOM 1016 CB ASN A 64 9.571 -5.545 -19.769 1.00 0.00 C ATOM 1017 CG ASN A 64 11.012 -5.837 -19.397 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.565 -6.871 -19.772 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.628 -4.923 -18.656 1.00 0.00 N ATOM 0 H ASN A 64 9.327 -3.409 -18.541 1.00 0.00 H new ATOM 0 HA ASN A 64 7.630 -5.518 -18.846 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.192 -6.347 -20.402 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.529 -4.628 -20.357 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.598 -5.064 -18.375 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.131 -4.080 -18.368 1.00 0.00 H new ATOM 1026 N THR A 65 9.992 -6.219 -16.679 1.00 0.00 N ATOM 1027 CA THR A 65 10.407 -7.173 -15.658 1.00 0.00 C ATOM 1028 C THR A 65 10.041 -6.680 -14.263 1.00 0.00 C ATOM 1029 O THR A 65 10.357 -5.550 -13.890 1.00 0.00 O ATOM 1030 CB THR A 65 11.925 -7.433 -15.717 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.635 -6.310 -15.182 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.375 -7.690 -17.147 1.00 0.00 C ATOM 0 H THR A 65 10.522 -5.348 -16.682 1.00 0.00 H new ATOM 0 HA THR A 65 9.878 -8.104 -15.861 1.00 0.00 H new ATOM 0 HB THR A 65 12.143 -8.318 -15.120 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.287 -5.991 -15.840 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.450 -7.871 -17.163 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.854 -8.563 -17.541 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.144 -6.821 -17.763 1.00 0.00 H new ATOM 1040 N VAL A 66 9.373 -7.535 -13.495 1.00 0.00 N ATOM 1041 CA VAL A 66 8.965 -7.187 -12.139 1.00 0.00 C ATOM 1042 C VAL A 66 10.127 -6.592 -11.352 1.00 0.00 C ATOM 1043 O VAL A 66 9.929 -5.750 -10.476 1.00 0.00 O ATOM 1044 CB VAL A 66 8.423 -8.414 -11.384 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.085 -8.050 -9.946 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.207 -8.985 -12.098 1.00 0.00 C ATOM 0 H VAL A 66 9.103 -8.474 -13.789 1.00 0.00 H new ATOM 0 HA VAL A 66 8.172 -6.445 -12.227 1.00 0.00 H new ATOM 0 HB VAL A 66 9.198 -9.180 -11.367 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.703 -8.930 -9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.982 -7.692 -9.441 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.327 -7.267 -9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.837 -9.852 -11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.425 -8.227 -12.148 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.486 -9.286 -13.108 1.00 0.00 H new ATOM 1056 N GLN A 67 11.339 -7.034 -11.670 1.00 0.00 N ATOM 1057 CA GLN A 67 12.534 -6.545 -10.992 1.00 0.00 C ATOM 1058 C GLN A 67 12.810 -5.090 -11.358 1.00 0.00 C ATOM 1059 O GLN A 67 12.862 -4.220 -10.489 1.00 0.00 O ATOM 1060 CB GLN A 67 13.741 -7.412 -11.351 1.00 0.00 C ATOM 1061 CG GLN A 67 14.542 -7.870 -10.143 1.00 0.00 C ATOM 1062 CD GLN A 67 15.616 -6.877 -9.744 1.00 0.00 C ATOM 1063 OE1 GLN A 67 16.809 -7.139 -9.900 1.00 0.00 O ATOM 1064 NE2 GLN A 67 15.198 -5.728 -9.226 1.00 0.00 N ATOM 0 H GLN A 67 11.520 -7.730 -12.393 1.00 0.00 H new ATOM 0 HA GLN A 67 12.361 -6.604 -9.917 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.398 -8.288 -11.902 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.395 -6.851 -12.019 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.866 -8.026 -9.302 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.005 -8.832 -10.363 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.199 -5.552 -9.114 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.875 -5.021 -8.940 1.00 0.00 H new ATOM 1073 N ASP A 68 12.987 -4.834 -12.649 1.00 0.00 N ATOM 1074 CA ASP A 68 13.257 -3.484 -13.131 1.00 0.00 C ATOM 1075 C ASP A 68 12.069 -2.564 -12.867 1.00 0.00 C ATOM 1076 O ASP A 68 12.230 -1.354 -12.717 1.00 0.00 O ATOM 1077 CB ASP A 68 13.577 -3.508 -14.627 1.00 0.00 C ATOM 1078 CG ASP A 68 14.914 -4.159 -14.922 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.780 -4.172 -14.023 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.093 -4.657 -16.053 1.00 0.00 O ATOM 0 H ASP A 68 12.948 -5.543 -13.381 1.00 0.00 H new ATOM 0 HA ASP A 68 14.120 -3.097 -12.589 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.790 -4.046 -15.156 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.580 -2.488 -15.012 1.00 0.00 H new ATOM 1085 N ALA A 69 10.876 -3.148 -12.812 1.00 0.00 N ATOM 1086 CA ALA A 69 9.662 -2.381 -12.565 1.00 0.00 C ATOM 1087 C ALA A 69 9.697 -1.724 -11.190 1.00 0.00 C ATOM 1088 O ALA A 69 9.716 -0.498 -11.078 1.00 0.00 O ATOM 1089 CB ALA A 69 8.438 -3.276 -12.694 1.00 0.00 C ATOM 0 H ALA A 69 10.725 -4.149 -12.935 1.00 0.00 H new ATOM 0 HA ALA A 69 9.602 -1.591 -13.314 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.538 -2.691 -12.507 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.397 -3.693 -13.700 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.501 -4.086 -11.967 1.00 0.00 H new ATOM 1095 N ILE A 70 9.706 -2.547 -10.146 1.00 0.00 N ATOM 1096 CA ILE A 70 9.739 -2.045 -8.778 1.00 0.00 C ATOM 1097 C ILE A 70 10.985 -1.201 -8.533 1.00 0.00 C ATOM 1098 O ILE A 70 10.999 -0.335 -7.658 1.00 0.00 O ATOM 1099 CB ILE A 70 9.702 -3.195 -7.755 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.009 -3.990 -7.802 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.513 -4.105 -8.024 1.00 0.00 C ATOM 1102 CD1 ILE A 70 12.038 -3.519 -6.798 1.00 0.00 C ATOM 0 H ILE A 70 9.691 -3.564 -10.222 1.00 0.00 H new ATOM 0 HA ILE A 70 8.852 -1.426 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 70 9.592 -2.771 -6.757 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.791 -5.043 -7.621 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.432 -3.920 -8.804 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.501 -4.913 -7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.590 -3.530 -7.946 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.595 -4.524 -9.027 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.938 -4.127 -6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.284 -2.475 -6.992 1.00 0.00 H new ATOM 0 HD13 ILE A 70 11.634 -3.615 -5.790 1.00 0.00 H new ATOM 1114 N ASP A 71 12.030 -1.457 -9.313 1.00 0.00 N ATOM 1115 CA ASP A 71 13.281 -0.719 -9.183 1.00 0.00 C ATOM 1116 C ASP A 71 13.178 0.647 -9.852 1.00 0.00 C ATOM 1117 O ASP A 71 13.855 1.596 -9.457 1.00 0.00 O ATOM 1118 CB ASP A 71 14.434 -1.516 -9.796 1.00 0.00 C ATOM 1119 CG ASP A 71 15.216 -2.295 -8.757 1.00 0.00 C ATOM 1120 OD1 ASP A 71 14.616 -3.167 -8.095 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.427 -2.032 -8.606 1.00 0.00 O ATOM 0 H ASP A 71 12.035 -2.170 -10.042 1.00 0.00 H new ATOM 0 HA ASP A 71 13.477 -0.569 -8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.039 -2.206 -10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.106 -0.834 -10.317 1.00 0.00 H new ATOM 1126 N TYR A 72 12.327 0.740 -10.868 1.00 0.00 N ATOM 1127 CA TYR A 72 12.137 1.989 -11.595 1.00 0.00 C ATOM 1128 C TYR A 72 11.250 2.949 -10.808 1.00 0.00 C ATOM 1129 O TYR A 72 11.503 4.153 -10.766 1.00 0.00 O ATOM 1130 CB TYR A 72 11.521 1.717 -12.968 1.00 0.00 C ATOM 1131 CG TYR A 72 10.303 2.563 -13.264 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.428 3.915 -13.561 1.00 0.00 C ATOM 1133 CD2 TYR A 72 9.028 2.011 -13.248 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.318 4.692 -13.831 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.913 2.780 -13.518 1.00 0.00 C ATOM 1136 CZ TYR A 72 8.063 4.120 -13.809 1.00 0.00 C ATOM 1137 OH TYR A 72 6.956 4.891 -14.079 1.00 0.00 O ATOM 0 H TYR A 72 11.758 -0.036 -11.207 1.00 0.00 H new ATOM 0 HA TYR A 72 13.114 2.453 -11.729 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.273 1.897 -13.736 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.246 0.664 -13.031 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.409 4.366 -13.581 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.907 0.962 -13.020 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.432 5.742 -14.058 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.929 2.335 -13.501 1.00 0.00 H new ATOM 0 HH TYR A 72 6.311 4.805 -13.346 1.00 0.00 H new ATOM 1147 N ILE A 73 10.209 2.405 -10.186 1.00 0.00 N ATOM 1148 CA ILE A 73 9.284 3.211 -9.399 1.00 0.00 C ATOM 1149 C ILE A 73 9.909 3.624 -8.070 1.00 0.00 C ATOM 1150 O ILE A 73 9.621 4.700 -7.546 1.00 0.00 O ATOM 1151 CB ILE A 73 7.972 2.454 -9.123 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.225 1.277 -8.179 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.354 1.972 -10.427 1.00 0.00 C ATOM 1154 CD1 ILE A 73 7.926 1.588 -6.730 1.00 0.00 C ATOM 0 H ILE A 73 9.985 1.410 -10.212 1.00 0.00 H new ATOM 0 HA ILE A 73 9.063 4.102 -9.987 1.00 0.00 H new ATOM 0 HB ILE A 73 7.271 3.136 -8.642 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.614 0.431 -8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.266 0.968 -8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.427 1.439 -10.215 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.142 2.828 -11.067 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.050 1.303 -10.934 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.128 0.708 -6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.556 2.413 -6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.878 1.868 -6.627 1.00 0.00 H new ATOM 1166 N GLU A 74 10.766 2.762 -7.532 1.00 0.00 N ATOM 1167 CA GLU A 74 11.432 3.039 -6.265 1.00 0.00 C ATOM 1168 C GLU A 74 12.654 3.928 -6.475 1.00 0.00 C ATOM 1169 O GLU A 74 13.077 4.647 -5.569 1.00 0.00 O ATOM 1170 CB GLU A 74 11.849 1.732 -5.587 1.00 0.00 C ATOM 1171 CG GLU A 74 10.698 0.997 -4.921 1.00 0.00 C ATOM 1172 CD GLU A 74 10.989 0.645 -3.475 1.00 0.00 C ATOM 1173 OE1 GLU A 74 11.729 -0.333 -3.240 1.00 0.00 O ATOM 1174 OE2 GLU A 74 10.477 1.348 -2.579 1.00 0.00 O ATOM 0 H GLU A 74 11.015 1.867 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 74 10.728 3.566 -5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.306 1.077 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.612 1.948 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.802 1.616 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.484 0.084 -5.477 1.00 0.00 H new ATOM 1181 N LYS A 75 13.218 3.874 -7.677 1.00 0.00 N ATOM 1182 CA LYS A 75 14.391 4.674 -8.009 1.00 0.00 C ATOM 1183 C LYS A 75 14.011 6.138 -8.211 1.00 0.00 C ATOM 1184 O LYS A 75 14.685 7.038 -7.711 1.00 0.00 O ATOM 1185 CB LYS A 75 15.063 4.132 -9.272 1.00 0.00 C ATOM 1186 CG LYS A 75 16.066 5.092 -9.887 1.00 0.00 C ATOM 1187 CD LYS A 75 15.419 5.975 -10.941 1.00 0.00 C ATOM 1188 CE LYS A 75 16.363 6.237 -12.105 1.00 0.00 C ATOM 1189 NZ LYS A 75 16.016 5.416 -13.297 1.00 0.00 N ATOM 0 H LYS A 75 12.881 3.284 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 75 15.091 4.610 -7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.568 3.197 -9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.296 3.899 -10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 75 16.501 5.715 -9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 75 16.883 4.527 -10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.510 5.498 -11.308 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.123 6.923 -10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.328 7.294 -12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.386 6.018 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.683 5.624 -14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.074 4.407 -13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.049 5.643 -13.605 1.00 0.00 H new ATOM 1203 N ASN A 76 12.928 6.368 -8.945 1.00 0.00 N ATOM 1204 CA ASN A 76 12.459 7.723 -9.212 1.00 0.00 C ATOM 1205 C ASN A 76 11.434 8.159 -8.170 1.00 0.00 C ATOM 1206 O ASN A 76 11.675 9.085 -7.397 1.00 0.00 O ATOM 1207 CB ASN A 76 11.848 7.807 -10.612 1.00 0.00 C ATOM 1208 CG ASN A 76 12.664 8.677 -11.548 1.00 0.00 C ATOM 1209 OD1 ASN A 76 12.855 9.868 -11.299 1.00 0.00 O ATOM 1210 ND2 ASN A 76 13.150 8.085 -12.633 1.00 0.00 N ATOM 0 H ASN A 76 12.358 5.634 -9.366 1.00 0.00 H new ATOM 0 HA ASN A 76 13.315 8.395 -9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.767 6.804 -11.031 1.00 0.00 H new ATOM 0 HB3 ASN A 76 10.836 8.205 -10.540 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.706 8.620 -13.300 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.967 7.095 -12.799 1.00 0.00 H new ATOM 1217 N ASN A 77 10.289 7.484 -8.157 1.00 0.00 N ATOM 1218 CA ASN A 77 9.226 7.801 -7.210 1.00 0.00 C ATOM 1219 C ASN A 77 9.586 7.322 -5.807 1.00 0.00 C ATOM 1220 O ASN A 77 9.238 6.210 -5.410 1.00 0.00 O ATOM 1221 CB ASN A 77 7.909 7.163 -7.656 1.00 0.00 C ATOM 1222 CG ASN A 77 7.772 7.116 -9.166 1.00 0.00 C ATOM 1223 OD1 ASN A 77 7.460 6.073 -9.740 1.00 0.00 O ATOM 1224 ND2 ASN A 77 8.006 8.250 -9.817 1.00 0.00 N ATOM 0 H ASN A 77 10.074 6.715 -8.791 1.00 0.00 H new ATOM 0 HA ASN A 77 9.107 8.884 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.845 6.151 -7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.075 7.725 -7.235 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.930 8.280 -10.834 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.262 9.091 -9.300 1.00 0.00 H new