USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 846 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 12 HIS : no HD1:sc= -6.28! C(o=-9.3!,f=-3.3!) USER MOD Set 1.2: A 103 CYS SG : rot 61:sc= -3.01! USER MOD Set 2.1: A 92 ASN : amide:sc= -4.54! C(o=-4.5!,f=-4.2!) USER MOD Set 2.2: A 95 ASN : amide:sc= 0 X(o=-4.5,f=-4.2) USER MOD Set 3.1: A 71 TYR OH : rot -166:sc= 1.32 USER MOD Set 3.2: A 85 THR OG1 : rot -97:sc= 2 USER MOD Set 3.3: A 105 ASN : amide:sc= 0.569 K(o=3.9,f=1.4) USER MOD Set 4.1: A 59 ASN : amide:sc= 0.433 K(o=1.6,f=-12!) USER MOD Set 4.2: A 63 LYS NZ :NH3+ 159:sc= 1.17 (180deg=-0.254) USER MOD Set 5.1: A 45 TYR OH : rot 152:sc= 0.463 USER MOD Set 5.2: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 16 MET CE :methyl -114:sc= -7.41! (180deg=-7.48!) USER MOD Set 6.2: A 42 TYR OH : rot -168:sc= 0.807 USER MOD Set 6.3: A 57 HIS : no HD1:sc= 0.902 K(o=-5.7,f=-14!) USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= 1.23 (180deg=0.793) USER MOD Single : A 7 THR OG1 : rot -97:sc= 0.791 USER MOD Single : A 10 SER OG : rot 34:sc= 0.945 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 157:sc= -0.116 (180deg=-0.708) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= -0.386! (180deg=-0.535!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -32:sc= -3.08! USER MOD Single : A 26 THR OG1 : rot -76:sc= 1.24 USER MOD Single : A 31 TYR OH : rot 102:sc= 0.996 USER MOD Single : A 32 HIS : no HD1:sc= -4.4! K(o=-4.4!,f=-1.3) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0077 USER MOD Single : A 46 HIS : no HD1:sc= -6.2! C(o=-6.2!,f=-7.4!) USER MOD Single : A 50 SER OG : rot 71:sc= 0.305 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 54 THR OG1 : rot 59:sc= 1.21 USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -0.103 (180deg=-0.396) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 61:sc= 1.24 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 68 SER OG : rot -59:sc= 0.376 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl -123:sc= -0.333 (180deg=-2.07) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0421) USER MOD Single : A 77 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.02) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 86 GLN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 91 TYR OH : rot -148:sc= 1.18 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 99 GLN : amide:sc= -2.84! K(o=-2.8!,f=-0.011) USER MOD Single : A 100 CYS SG : rot 15:sc= 0.472 USER MOD Single : A 102 MET CE :methyl -134:sc= -0.756 (180deg=-3.06!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 6 -9.081 4.410 -8.921 1.00 0.74 N ATOM 61 CA LYS A 6 -8.470 5.573 -8.305 1.00 0.49 C ATOM 62 C LYS A 6 -7.047 5.230 -7.889 1.00 0.39 C ATOM 63 O LYS A 6 -6.827 4.282 -7.140 1.00 0.48 O ATOM 64 CB LYS A 6 -9.292 6.018 -7.099 1.00 0.68 C ATOM 65 CG LYS A 6 -10.715 6.439 -7.445 1.00 0.95 C ATOM 66 CD LYS A 6 -10.803 7.913 -7.818 1.00 1.62 C ATOM 67 CE LYS A 6 -10.708 8.806 -6.585 1.00 2.01 C ATOM 68 NZ LYS A 6 -10.907 10.243 -6.915 1.00 2.61 N ATOM 0 HA LYS A 6 -8.442 6.395 -9.020 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.330 5.203 -6.376 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -8.785 6.851 -6.613 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -11.080 5.833 -8.275 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.368 6.241 -6.595 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -10.001 8.163 -8.512 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -11.743 8.103 -8.335 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -11.456 8.496 -5.855 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -9.732 8.674 -6.117 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -11.220 10.754 -6.065 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -10.011 10.649 -7.253 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -11.629 10.332 -7.658 1.00 2.61 H new ATOM 82 N THR A 7 -6.089 5.997 -8.373 1.00 0.30 N ATOM 83 CA THR A 7 -4.695 5.664 -8.190 1.00 0.27 C ATOM 84 C THR A 7 -4.021 6.702 -7.315 1.00 0.21 C ATOM 85 O THR A 7 -4.056 7.896 -7.616 1.00 0.22 O ATOM 86 CB THR A 7 -3.972 5.600 -9.549 1.00 0.33 C ATOM 87 OG1 THR A 7 -4.671 4.714 -10.433 1.00 0.43 O ATOM 88 CG2 THR A 7 -2.536 5.129 -9.386 1.00 0.34 C ATOM 0 H THR A 7 -6.254 6.856 -8.897 1.00 0.30 H new ATOM 0 HA THR A 7 -4.638 4.688 -7.708 1.00 0.27 H new ATOM 0 HB THR A 7 -3.958 6.605 -9.971 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.246 3.831 -10.415 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.052 5.094 -10.362 1.00 0.34 H new ATOM 0 HG22 THR A 7 -1.998 5.821 -8.738 1.00 0.34 H new ATOM 0 HG23 THR A 7 -2.528 4.134 -8.941 1.00 0.34 H new ATOM 96 N PHE A 8 -3.419 6.253 -6.233 1.00 0.19 N ATOM 97 CA PHE A 8 -2.706 7.160 -5.362 1.00 0.18 C ATOM 98 C PHE A 8 -1.288 6.657 -5.109 1.00 0.19 C ATOM 99 O PHE A 8 -1.065 5.466 -4.858 1.00 0.22 O ATOM 100 CB PHE A 8 -3.490 7.371 -4.056 1.00 0.21 C ATOM 101 CG PHE A 8 -3.217 6.372 -2.959 1.00 0.23 C ATOM 102 CD1 PHE A 8 -3.898 5.166 -2.911 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.295 6.654 -1.962 1.00 0.27 C ATOM 104 CE1 PHE A 8 -3.660 4.261 -1.895 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.057 5.756 -0.942 1.00 0.36 C ATOM 106 CZ PHE A 8 -2.740 4.556 -0.909 1.00 0.40 C ATOM 0 H PHE A 8 -3.409 5.276 -5.939 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.619 8.131 -5.850 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.267 8.368 -3.677 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.555 7.348 -4.286 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.623 4.931 -3.676 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -1.756 7.590 -1.984 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -4.194 3.322 -1.872 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.338 5.991 -0.171 1.00 0.36 H new ATOM 0 HZ PHE A 8 -2.555 3.850 -0.113 1.00 0.40 H new ATOM 116 N LEU A 9 -0.333 7.566 -5.237 1.00 0.18 N ATOM 117 CA LEU A 9 1.067 7.257 -5.010 1.00 0.20 C ATOM 118 C LEU A 9 1.324 7.109 -3.512 1.00 0.20 C ATOM 119 O LEU A 9 0.725 7.808 -2.697 1.00 0.33 O ATOM 120 CB LEU A 9 1.935 8.375 -5.615 1.00 0.22 C ATOM 121 CG LEU A 9 3.384 8.005 -5.969 1.00 0.27 C ATOM 122 CD1 LEU A 9 4.256 7.921 -4.728 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.423 6.690 -6.730 1.00 0.37 C ATOM 0 H LEU A 9 -0.508 8.536 -5.501 1.00 0.18 H new ATOM 0 HA LEU A 9 1.327 6.315 -5.493 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.445 8.736 -6.519 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.958 9.207 -4.911 1.00 0.22 H new ATOM 0 HG LEU A 9 3.783 8.795 -6.605 1.00 0.27 H new ATOM 0 HD11 LEU A 9 5.274 7.657 -5.016 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.261 8.886 -4.221 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.860 7.160 -4.056 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.456 6.441 -6.974 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.995 5.900 -6.113 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.846 6.785 -7.650 1.00 0.37 H new ATOM 135 N SER A 10 2.194 6.187 -3.152 1.00 0.32 N ATOM 136 CA SER A 10 2.511 5.951 -1.761 1.00 0.32 C ATOM 137 C SER A 10 3.982 5.590 -1.608 1.00 0.28 C ATOM 138 O SER A 10 4.636 5.177 -2.567 1.00 0.29 O ATOM 139 CB SER A 10 1.630 4.831 -1.205 1.00 0.41 C ATOM 140 OG SER A 10 1.874 4.615 0.173 1.00 1.10 O ATOM 0 H SER A 10 2.695 5.588 -3.808 1.00 0.32 H new ATOM 0 HA SER A 10 2.317 6.864 -1.197 1.00 0.32 H new ATOM 0 HB2 SER A 10 0.580 5.084 -1.355 1.00 0.41 H new ATOM 0 HB3 SER A 10 1.818 3.910 -1.758 1.00 0.41 H new ATOM 0 HG SER A 10 2.091 5.468 0.604 1.00 1.10 H new ATOM 146 N ARG A 11 4.485 5.732 -0.393 1.00 0.28 N ATOM 147 CA ARG A 11 5.865 5.376 -0.097 1.00 0.30 C ATOM 148 C ARG A 11 5.919 4.603 1.198 1.00 0.21 C ATOM 149 O ARG A 11 5.151 4.864 2.125 1.00 0.21 O ATOM 150 CB ARG A 11 6.778 6.598 0.030 1.00 0.51 C ATOM 151 CG ARG A 11 6.781 7.513 -1.182 1.00 0.99 C ATOM 152 CD ARG A 11 7.463 6.870 -2.372 1.00 1.00 C ATOM 153 NE ARG A 11 7.473 7.763 -3.526 1.00 1.28 N ATOM 154 CZ ARG A 11 8.522 7.956 -4.320 1.00 1.70 C ATOM 155 NH1 ARG A 11 9.681 7.359 -4.063 1.00 1.99 N ATOM 156 NH2 ARG A 11 8.414 8.762 -5.365 1.00 2.46 N ATOM 0 H ARG A 11 3.960 6.091 0.404 1.00 0.28 H new ATOM 0 HA ARG A 11 6.223 4.775 -0.933 1.00 0.30 H new ATOM 0 HB2 ARG A 11 6.472 7.174 0.903 1.00 0.51 H new ATOM 0 HB3 ARG A 11 7.797 6.257 0.214 1.00 0.51 H new ATOM 0 HG2 ARG A 11 5.755 7.769 -1.446 1.00 0.99 H new ATOM 0 HG3 ARG A 11 7.288 8.445 -0.932 1.00 0.99 H new ATOM 0 HD2 ARG A 11 8.486 6.604 -2.107 1.00 1.00 H new ATOM 0 HD3 ARG A 11 6.950 5.944 -2.631 1.00 1.00 H new ATOM 0 HE ARG A 11 6.616 8.274 -3.738 1.00 1.28 H new ATOM 0 HH11 ARG A 11 9.771 6.747 -3.252 1.00 1.99 H new ATOM 0 HH12 ARG A 11 10.481 7.512 -4.677 1.00 1.99 H new ATOM 0 HH21 ARG A 11 7.529 9.231 -5.558 1.00 2.46 H new ATOM 0 HH22 ARG A 11 9.216 8.914 -5.977 1.00 2.46 H new ATOM 170 N HIS A 12 6.790 3.619 1.247 1.00 0.25 N ATOM 171 CA HIS A 12 7.051 2.909 2.481 1.00 0.32 C ATOM 172 C HIS A 12 8.536 2.917 2.795 1.00 0.32 C ATOM 173 O HIS A 12 9.355 3.188 1.928 1.00 0.36 O ATOM 174 CB HIS A 12 6.547 1.471 2.381 1.00 0.36 C ATOM 175 CG HIS A 12 5.055 1.351 2.362 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.310 1.237 3.506 1.00 0.89 N ATOM 177 CD2 HIS A 12 4.175 1.281 1.337 1.00 0.41 C ATOM 178 CE1 HIS A 12 3.043 1.096 3.196 1.00 0.86 C ATOM 179 NE2 HIS A 12 2.925 1.119 1.883 1.00 0.51 N ATOM 0 H HIS A 12 7.330 3.292 0.446 1.00 0.25 H new ATOM 0 HA HIS A 12 6.520 3.415 3.288 1.00 0.32 H new ATOM 0 HB2 HIS A 12 6.950 1.017 1.475 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.937 0.900 3.224 1.00 0.36 H new ATOM 0 HD2 HIS A 12 4.411 1.341 0.285 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.232 0.980 3.899 1.00 0.86 H new ATOM 0 HE2 HIS A 12 2.053 1.031 1.361 1.00 0.51 H new ATOM 188 N SER A 13 8.873 2.634 4.037 1.00 0.32 N ATOM 189 CA SER A 13 10.262 2.494 4.433 1.00 0.35 C ATOM 190 C SER A 13 10.503 1.067 4.887 1.00 0.43 C ATOM 191 O SER A 13 9.821 0.610 5.794 1.00 0.91 O ATOM 192 CB SER A 13 10.603 3.475 5.560 1.00 0.68 C ATOM 193 OG SER A 13 11.947 3.326 5.987 1.00 1.70 O ATOM 0 H SER A 13 8.202 2.496 4.793 1.00 0.32 H new ATOM 0 HA SER A 13 10.905 2.722 3.583 1.00 0.35 H new ATOM 0 HB2 SER A 13 10.440 4.497 5.217 1.00 0.68 H new ATOM 0 HB3 SER A 13 9.932 3.311 6.403 1.00 0.68 H new ATOM 0 HG SER A 13 12.135 3.966 6.705 1.00 1.70 H new ATOM 199 N MET A 14 11.448 0.388 4.220 1.00 0.27 N ATOM 200 CA MET A 14 11.882 -0.989 4.543 1.00 0.36 C ATOM 201 C MET A 14 10.742 -1.924 4.958 1.00 0.33 C ATOM 202 O MET A 14 10.256 -2.719 4.156 1.00 0.40 O ATOM 203 CB MET A 14 12.953 -0.964 5.636 1.00 0.56 C ATOM 204 CG MET A 14 14.188 -0.166 5.257 1.00 1.35 C ATOM 205 SD MET A 14 15.517 -0.310 6.468 1.00 1.76 S ATOM 206 CE MET A 14 15.940 -2.043 6.302 1.00 2.75 C ATOM 0 H MET A 14 11.946 0.785 3.423 1.00 0.27 H new ATOM 0 HA MET A 14 12.290 -1.395 3.617 1.00 0.36 H new ATOM 0 HB2 MET A 14 12.523 -0.543 6.545 1.00 0.56 H new ATOM 0 HB3 MET A 14 13.248 -1.987 5.867 1.00 0.56 H new ATOM 0 HG2 MET A 14 14.550 -0.505 4.286 1.00 1.35 H new ATOM 0 HG3 MET A 14 13.916 0.884 5.147 1.00 1.35 H new ATOM 0 HE1 MET A 14 16.961 -2.203 6.648 1.00 2.75 H new ATOM 0 HE2 MET A 14 15.255 -2.644 6.901 1.00 2.75 H new ATOM 0 HE3 MET A 14 15.861 -2.338 5.256 1.00 2.75 H new ATOM 216 N ASP A 15 10.323 -1.810 6.212 1.00 0.36 N ATOM 217 CA ASP A 15 9.290 -2.666 6.795 1.00 0.41 C ATOM 218 C ASP A 15 7.926 -2.453 6.144 1.00 0.34 C ATOM 219 O ASP A 15 7.015 -3.256 6.351 1.00 0.41 O ATOM 220 CB ASP A 15 9.170 -2.393 8.292 1.00 0.56 C ATOM 221 CG ASP A 15 8.917 -0.929 8.588 1.00 1.18 C ATOM 222 OD1 ASP A 15 7.743 -0.499 8.594 1.00 1.49 O ATOM 223 OD2 ASP A 15 9.897 -0.193 8.808 1.00 2.07 O ATOM 0 H ASP A 15 10.692 -1.115 6.861 1.00 0.36 H new ATOM 0 HA ASP A 15 9.594 -3.698 6.617 1.00 0.41 H new ATOM 0 HB2 ASP A 15 8.358 -2.991 8.705 1.00 0.56 H new ATOM 0 HB3 ASP A 15 10.085 -2.710 8.792 1.00 0.56 H new ATOM 228 N MET A 16 7.785 -1.358 5.391 1.00 0.29 N ATOM 229 CA MET A 16 6.563 -1.082 4.642 1.00 0.35 C ATOM 230 C MET A 16 5.412 -0.631 5.562 1.00 0.37 C ATOM 231 O MET A 16 4.259 -0.990 5.341 1.00 0.69 O ATOM 232 CB MET A 16 6.163 -2.319 3.808 1.00 0.49 C ATOM 233 CG MET A 16 5.002 -2.097 2.851 1.00 0.67 C ATOM 234 SD MET A 16 4.747 -3.481 1.723 1.00 0.73 S ATOM 235 CE MET A 16 6.231 -3.378 0.725 1.00 0.48 C ATOM 0 H MET A 16 8.509 -0.647 5.286 1.00 0.29 H new ATOM 0 HA MET A 16 6.764 -0.253 3.964 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.030 -2.648 3.235 1.00 0.49 H new ATOM 0 HB3 MET A 16 5.904 -3.130 4.489 1.00 0.49 H new ATOM 0 HG2 MET A 16 4.091 -1.931 3.426 1.00 0.67 H new ATOM 0 HG3 MET A 16 5.183 -1.192 2.272 1.00 0.67 H new ATOM 0 HE1 MET A 16 5.963 -3.118 -0.299 1.00 0.48 H new ATOM 0 HE2 MET A 16 6.892 -2.613 1.133 1.00 0.48 H new ATOM 0 HE3 MET A 16 6.742 -4.341 0.733 1.00 0.48 H new ATOM 245 N LYS A 17 5.703 0.175 6.584 1.00 0.31 N ATOM 246 CA LYS A 17 4.626 0.713 7.426 1.00 0.31 C ATOM 247 C LYS A 17 3.746 1.738 6.688 1.00 0.27 C ATOM 248 O LYS A 17 2.567 1.505 6.545 1.00 0.29 O ATOM 249 CB LYS A 17 5.198 1.346 8.698 1.00 0.42 C ATOM 250 CG LYS A 17 6.185 2.467 8.435 1.00 0.59 C ATOM 251 CD LYS A 17 6.595 3.174 9.718 1.00 0.70 C ATOM 252 CE LYS A 17 7.124 2.211 10.768 1.00 0.98 C ATOM 253 NZ LYS A 17 8.381 1.544 10.343 1.00 1.40 N ATOM 0 H LYS A 17 6.645 0.465 6.846 1.00 0.31 H new ATOM 0 HA LYS A 17 3.991 -0.133 7.690 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.376 1.732 9.301 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.690 0.572 9.288 1.00 0.42 H new ATOM 0 HG2 LYS A 17 7.070 2.063 7.944 1.00 0.59 H new ATOM 0 HG3 LYS A 17 5.741 3.188 7.749 1.00 0.59 H new ATOM 0 HD2 LYS A 17 7.360 3.916 9.492 1.00 0.70 H new ATOM 0 HD3 LYS A 17 5.738 3.713 10.122 1.00 0.70 H new ATOM 0 HE2 LYS A 17 7.300 2.752 11.698 1.00 0.98 H new ATOM 0 HE3 LYS A 17 6.367 1.455 10.977 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 8.656 0.836 11.054 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 8.232 1.075 9.427 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 9.136 2.253 10.250 1.00 1.40 H new ATOM 267 N PHE A 18 4.349 2.838 6.206 1.00 0.29 N ATOM 268 CA PHE A 18 3.676 3.915 5.431 1.00 0.30 C ATOM 269 C PHE A 18 4.380 5.238 5.717 1.00 0.38 C ATOM 270 O PHE A 18 4.258 5.783 6.810 1.00 0.68 O ATOM 271 CB PHE A 18 2.175 4.084 5.762 1.00 0.27 C ATOM 272 CG PHE A 18 1.230 3.534 4.710 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.078 4.171 3.482 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.488 2.384 4.950 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.213 3.680 2.528 1.00 0.46 C ATOM 276 CE2 PHE A 18 -0.378 1.889 3.991 1.00 0.38 C ATOM 277 CZ PHE A 18 -0.494 2.508 2.777 1.00 0.44 C ATOM 0 H PHE A 18 5.344 3.015 6.344 1.00 0.29 H new ATOM 0 HA PHE A 18 3.741 3.628 4.382 1.00 0.30 H new ATOM 0 HB2 PHE A 18 1.968 3.590 6.711 1.00 0.27 H new ATOM 0 HB3 PHE A 18 1.964 5.144 5.902 1.00 0.27 H new ATOM 0 HD1 PHE A 18 1.647 5.065 3.273 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.588 1.871 5.895 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.085 4.203 1.592 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.966 1.008 4.203 1.00 0.38 H new ATOM 0 HZ PHE A 18 -1.133 2.088 2.014 1.00 0.44 H new ATOM 287 N THR A 19 5.146 5.726 4.753 1.00 0.21 N ATOM 288 CA THR A 19 5.908 6.957 4.928 1.00 0.23 C ATOM 289 C THR A 19 5.417 8.080 4.009 1.00 0.22 C ATOM 290 O THR A 19 5.780 9.239 4.196 1.00 0.26 O ATOM 291 CB THR A 19 7.413 6.713 4.705 1.00 0.30 C ATOM 292 OG1 THR A 19 7.622 5.988 3.486 1.00 0.63 O ATOM 293 CG2 THR A 19 8.012 5.936 5.868 1.00 0.43 C ATOM 0 H THR A 19 5.258 5.288 3.838 1.00 0.21 H new ATOM 0 HA THR A 19 5.749 7.278 5.957 1.00 0.23 H new ATOM 0 HB THR A 19 7.907 7.682 4.639 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.582 5.840 3.354 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.075 5.775 5.689 1.00 0.43 H new ATOM 0 HG22 THR A 19 7.881 6.502 6.790 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.510 4.973 5.959 1.00 0.43 H new ATOM 301 N TYR A 20 4.592 7.743 3.022 1.00 0.21 N ATOM 302 CA TYR A 20 3.958 8.759 2.187 1.00 0.23 C ATOM 303 C TYR A 20 2.635 8.253 1.654 1.00 0.21 C ATOM 304 O TYR A 20 2.514 7.090 1.263 1.00 0.22 O ATOM 305 CB TYR A 20 4.860 9.181 1.026 1.00 0.31 C ATOM 306 CG TYR A 20 4.185 10.076 0.001 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.104 11.451 0.182 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.629 9.535 -1.154 1.00 0.46 C ATOM 309 CE1 TYR A 20 3.486 12.259 -0.758 1.00 0.60 C ATOM 310 CE2 TYR A 20 3.012 10.335 -2.094 1.00 0.57 C ATOM 311 CZ TYR A 20 2.941 11.694 -1.893 1.00 0.64 C ATOM 312 OH TYR A 20 2.324 12.488 -2.831 1.00 0.77 O ATOM 0 H TYR A 20 4.348 6.782 2.782 1.00 0.21 H new ATOM 0 HA TYR A 20 3.784 9.634 2.813 1.00 0.23 H new ATOM 0 HB2 TYR A 20 5.730 9.701 1.428 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.227 8.286 0.523 1.00 0.31 H new ATOM 0 HD1 TYR A 20 4.529 11.897 1.069 1.00 0.48 H new ATOM 0 HD2 TYR A 20 3.681 8.469 -1.318 1.00 0.46 H new ATOM 0 HE1 TYR A 20 3.431 13.326 -0.603 1.00 0.60 H new ATOM 0 HE2 TYR A 20 2.586 9.896 -2.984 1.00 0.57 H new ATOM 0 HH TYR A 20 1.997 11.930 -3.568 1.00 0.77 H new ATOM 322 N CYS A 21 1.655 9.132 1.650 1.00 0.19 N ATOM 323 CA CYS A 21 0.343 8.829 1.129 1.00 0.19 C ATOM 324 C CYS A 21 -0.158 9.990 0.291 1.00 0.18 C ATOM 325 O CYS A 21 -0.134 11.137 0.736 1.00 0.21 O ATOM 326 CB CYS A 21 -0.619 8.569 2.280 1.00 0.20 C ATOM 327 SG CYS A 21 -0.336 7.015 3.149 1.00 0.34 S ATOM 0 H CYS A 21 1.749 10.081 2.011 1.00 0.19 H new ATOM 0 HA CYS A 21 0.402 7.938 0.504 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.543 9.389 2.994 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.638 8.575 1.894 1.00 0.20 H new ATOM 0 HG CYS A 21 0.121 6.128 2.315 1.00 0.34 H new ATOM 333 N ASP A 22 -0.584 9.691 -0.922 1.00 0.17 N ATOM 334 CA ASP A 22 -1.161 10.708 -1.795 1.00 0.18 C ATOM 335 C ASP A 22 -2.507 11.162 -1.240 1.00 0.18 C ATOM 336 O ASP A 22 -3.187 10.397 -0.555 1.00 0.20 O ATOM 337 CB ASP A 22 -1.312 10.174 -3.220 1.00 0.20 C ATOM 338 CG ASP A 22 -1.998 11.160 -4.146 1.00 0.27 C ATOM 339 OD1 ASP A 22 -1.467 12.273 -4.349 1.00 0.67 O ATOM 340 OD2 ASP A 22 -3.078 10.826 -4.669 1.00 0.55 O ATOM 0 H ASP A 22 -0.544 8.756 -1.328 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.489 11.566 -1.830 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.327 9.932 -3.619 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -1.883 9.246 -3.197 1.00 0.20 H new ATOM 345 N ASP A 23 -2.892 12.394 -1.550 1.00 0.20 N ATOM 346 CA ASP A 23 -4.064 13.024 -0.938 1.00 0.23 C ATOM 347 C ASP A 23 -5.328 12.239 -1.242 1.00 0.21 C ATOM 348 O ASP A 23 -6.277 12.240 -0.460 1.00 0.23 O ATOM 349 CB ASP A 23 -4.231 14.460 -1.438 1.00 0.31 C ATOM 350 CG ASP A 23 -2.962 15.268 -1.308 1.00 1.33 C ATOM 351 OD1 ASP A 23 -2.628 15.690 -0.181 1.00 2.12 O ATOM 352 OD2 ASP A 23 -2.290 15.482 -2.340 1.00 1.97 O ATOM 0 H ASP A 23 -2.408 12.984 -2.227 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.903 13.033 0.140 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -4.542 14.444 -2.482 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -5.027 14.947 -0.875 1.00 0.31 H new ATOM 357 N ARG A 24 -5.316 11.552 -2.372 1.00 0.20 N ATOM 358 CA ARG A 24 -6.456 10.778 -2.835 1.00 0.21 C ATOM 359 C ARG A 24 -6.856 9.690 -1.847 1.00 0.19 C ATOM 360 O ARG A 24 -7.994 9.219 -1.866 1.00 0.21 O ATOM 361 CB ARG A 24 -6.152 10.164 -4.193 1.00 0.24 C ATOM 362 CG ARG A 24 -6.107 11.184 -5.315 1.00 0.66 C ATOM 363 CD ARG A 24 -5.639 10.551 -6.611 1.00 1.23 C ATOM 364 NE ARG A 24 -5.412 11.546 -7.656 1.00 1.64 N ATOM 365 CZ ARG A 24 -4.211 12.044 -7.952 1.00 2.49 C ATOM 366 NH1 ARG A 24 -3.160 11.740 -7.201 1.00 3.22 N ATOM 367 NH2 ARG A 24 -4.072 12.883 -8.967 1.00 2.98 N ATOM 0 H ARG A 24 -4.511 11.515 -2.997 1.00 0.20 H new ATOM 0 HA ARG A 24 -7.300 11.463 -2.922 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -5.194 9.646 -4.144 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.909 9.414 -4.423 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -7.097 11.618 -5.456 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -5.437 11.999 -5.042 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -4.718 9.997 -6.432 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -6.383 9.831 -6.952 1.00 1.23 H new ATOM 0 HE ARG A 24 -6.216 11.878 -8.188 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -3.270 11.124 -6.395 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -2.242 12.122 -7.429 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -4.884 13.149 -9.524 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -3.153 13.263 -9.192 1.00 2.98 H new ATOM 381 N ILE A 25 -5.930 9.282 -0.982 1.00 0.17 N ATOM 382 CA ILE A 25 -6.207 8.196 -0.049 1.00 0.18 C ATOM 383 C ILE A 25 -7.381 8.556 0.872 1.00 0.19 C ATOM 384 O ILE A 25 -8.114 7.678 1.326 1.00 0.21 O ATOM 385 CB ILE A 25 -4.966 7.809 0.793 1.00 0.19 C ATOM 386 CG1 ILE A 25 -5.249 6.523 1.570 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.579 8.935 1.743 1.00 0.19 C ATOM 388 CD1 ILE A 25 -4.042 5.952 2.277 1.00 0.76 C ATOM 0 H ILE A 25 -4.994 9.681 -0.909 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.477 7.327 -0.649 1.00 0.18 H new ATOM 0 HB ILE A 25 -4.127 7.639 0.119 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -6.029 6.720 2.306 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.642 5.774 0.882 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.705 8.638 2.323 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.346 9.832 1.169 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.409 9.142 2.419 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -4.326 5.041 2.804 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -3.267 5.721 1.546 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.660 6.681 2.992 1.00 0.76 H new ATOM 400 N THR A 26 -7.557 9.850 1.126 1.00 0.20 N ATOM 401 CA THR A 26 -8.712 10.343 1.879 1.00 0.22 C ATOM 402 C THR A 26 -10.027 9.862 1.259 1.00 0.25 C ATOM 403 O THR A 26 -10.985 9.552 1.965 1.00 0.31 O ATOM 404 CB THR A 26 -8.717 11.884 1.957 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.648 12.447 0.639 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.549 12.391 2.788 1.00 0.26 C ATOM 0 H THR A 26 -6.913 10.580 0.821 1.00 0.20 H new ATOM 0 HA THR A 26 -8.627 9.939 2.888 1.00 0.22 H new ATOM 0 HB THR A 26 -9.646 12.193 2.436 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.733 12.368 0.297 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.576 13.480 2.827 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.620 11.990 3.799 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.612 12.067 2.335 1.00 0.26 H new ATOM 414 N GLU A 27 -10.049 9.788 -0.065 1.00 0.25 N ATOM 415 CA GLU A 27 -11.218 9.324 -0.801 1.00 0.30 C ATOM 416 C GLU A 27 -11.275 7.799 -0.826 1.00 0.33 C ATOM 417 O GLU A 27 -12.349 7.204 -0.891 1.00 0.43 O ATOM 418 CB GLU A 27 -11.160 9.823 -2.245 1.00 0.38 C ATOM 419 CG GLU A 27 -11.051 11.329 -2.393 1.00 0.55 C ATOM 420 CD GLU A 27 -10.771 11.730 -3.827 1.00 1.43 C ATOM 421 OE1 GLU A 27 -11.674 11.580 -4.680 1.00 1.63 O ATOM 422 OE2 GLU A 27 -9.642 12.169 -4.118 1.00 2.28 O ATOM 0 H GLU A 27 -9.260 10.047 -0.658 1.00 0.25 H new ATOM 0 HA GLU A 27 -12.103 9.715 -0.299 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.306 9.360 -2.741 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.054 9.484 -2.768 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -11.977 11.796 -2.058 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -10.255 11.702 -1.748 1.00 0.55 H new ATOM 429 N LEU A 28 -10.106 7.178 -0.777 1.00 0.27 N ATOM 430 CA LEU A 28 -9.982 5.754 -1.069 1.00 0.30 C ATOM 431 C LEU A 28 -10.043 4.892 0.188 1.00 0.31 C ATOM 432 O LEU A 28 -10.916 4.037 0.327 1.00 0.35 O ATOM 433 CB LEU A 28 -8.669 5.521 -1.812 1.00 0.30 C ATOM 434 CG LEU A 28 -8.434 6.488 -2.973 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.135 6.175 -3.695 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.611 6.451 -3.931 1.00 0.32 C ATOM 0 H LEU A 28 -9.227 7.637 -0.538 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.829 5.457 -1.688 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.843 5.609 -1.106 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.655 4.500 -2.194 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.348 7.496 -2.567 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -6.996 6.879 -4.515 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.301 6.260 -2.998 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.174 5.160 -4.091 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.432 7.143 -4.754 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.728 5.442 -4.325 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.519 6.741 -3.403 1.00 0.32 H new ATOM 448 N ILE A 29 -9.126 5.135 1.105 1.00 0.28 N ATOM 449 CA ILE A 29 -9.005 4.319 2.303 1.00 0.30 C ATOM 450 C ILE A 29 -9.599 5.074 3.493 1.00 0.29 C ATOM 451 O ILE A 29 -9.719 4.556 4.602 1.00 0.33 O ATOM 452 CB ILE A 29 -7.521 3.945 2.562 1.00 0.30 C ATOM 453 CG1 ILE A 29 -6.914 3.301 1.308 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.393 2.999 3.744 1.00 0.34 C ATOM 455 CD1 ILE A 29 -5.470 2.872 1.467 1.00 1.10 C ATOM 0 H ILE A 29 -8.449 5.895 1.044 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.558 3.390 2.164 1.00 0.30 H new ATOM 0 HB ILE A 29 -6.977 4.860 2.797 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -7.512 2.431 1.034 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -6.982 4.008 0.481 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.343 2.754 3.902 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -7.793 3.478 4.638 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -7.952 2.085 3.541 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -5.118 2.427 0.536 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -4.857 3.740 1.709 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -5.394 2.139 2.271 1.00 1.10 H new ATOM 467 N GLY A 30 -9.987 6.313 3.233 1.00 0.27 N ATOM 468 CA GLY A 30 -10.637 7.131 4.236 1.00 0.29 C ATOM 469 C GLY A 30 -9.669 7.791 5.197 1.00 0.28 C ATOM 470 O GLY A 30 -10.007 8.801 5.815 1.00 0.32 O ATOM 0 H GLY A 30 -9.861 6.772 2.331 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.226 7.902 3.739 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.334 6.513 4.802 1.00 0.29 H new ATOM 474 N TYR A 31 -8.471 7.234 5.328 1.00 0.28 N ATOM 475 CA TYR A 31 -7.464 7.822 6.190 1.00 0.33 C ATOM 476 C TYR A 31 -6.863 9.064 5.540 1.00 0.34 C ATOM 477 O TYR A 31 -7.095 9.341 4.365 1.00 0.43 O ATOM 478 CB TYR A 31 -6.346 6.827 6.492 1.00 0.38 C ATOM 479 CG TYR A 31 -6.766 5.594 7.259 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.442 5.705 8.466 1.00 0.45 C ATOM 481 CD2 TYR A 31 -6.510 4.322 6.766 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.853 4.586 9.161 1.00 0.48 C ATOM 483 CE2 TYR A 31 -6.914 3.197 7.459 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.489 3.320 8.684 1.00 0.46 C ATOM 485 OH TYR A 31 -7.999 2.215 9.341 1.00 0.53 O ATOM 0 H TYR A 31 -8.178 6.382 4.850 1.00 0.28 H new ATOM 0 HA TYR A 31 -7.954 8.098 7.124 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -5.898 6.513 5.549 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.569 7.340 7.059 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -7.650 6.685 8.869 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -5.988 4.210 5.827 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -8.446 4.685 10.058 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -6.772 2.218 7.026 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.741 1.840 8.822 1.00 0.53 H new ATOM 495 N HIS A 32 -6.068 9.792 6.303 1.00 0.31 N ATOM 496 CA HIS A 32 -5.399 10.982 5.800 1.00 0.34 C ATOM 497 C HIS A 32 -3.936 10.641 5.567 1.00 0.23 C ATOM 498 O HIS A 32 -3.402 9.775 6.252 1.00 0.23 O ATOM 499 CB HIS A 32 -5.506 12.102 6.842 1.00 0.52 C ATOM 500 CG HIS A 32 -5.454 13.495 6.289 1.00 0.68 C ATOM 501 ND1 HIS A 32 -6.573 14.183 5.883 1.00 1.52 N ATOM 502 CD2 HIS A 32 -4.410 14.337 6.097 1.00 1.52 C ATOM 503 CE1 HIS A 32 -6.219 15.383 5.465 1.00 1.90 C ATOM 504 NE2 HIS A 32 -4.913 15.502 5.585 1.00 1.89 N ATOM 0 H HIS A 32 -5.868 9.579 7.280 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.860 11.315 4.870 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -6.441 11.980 7.389 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -4.697 11.984 7.563 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -3.372 14.127 6.309 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -6.889 16.141 5.087 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -4.366 16.327 5.337 1.00 1.89 H new ATOM 513 N PRO A 33 -3.266 11.278 4.598 1.00 0.24 N ATOM 514 CA PRO A 33 -1.820 11.123 4.423 1.00 0.27 C ATOM 515 C PRO A 33 -1.080 11.163 5.760 1.00 0.25 C ATOM 516 O PRO A 33 -0.333 10.251 6.102 1.00 0.29 O ATOM 517 CB PRO A 33 -1.460 12.333 3.572 1.00 0.34 C ATOM 518 CG PRO A 33 -2.665 12.559 2.727 1.00 0.33 C ATOM 519 CD PRO A 33 -3.849 12.165 3.572 1.00 0.29 C ATOM 0 HA PRO A 33 -1.545 10.168 3.975 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -1.239 13.203 4.190 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -0.577 12.142 2.963 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.735 13.603 2.420 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -2.620 11.961 1.817 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -4.328 13.035 4.020 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -4.608 11.651 2.983 1.00 0.29 H new ATOM 527 N GLU A 34 -1.386 12.193 6.542 1.00 0.25 N ATOM 528 CA GLU A 34 -0.753 12.430 7.840 1.00 0.30 C ATOM 529 C GLU A 34 -1.121 11.332 8.827 1.00 0.28 C ATOM 530 O GLU A 34 -0.439 11.121 9.830 1.00 0.32 O ATOM 531 CB GLU A 34 -1.204 13.775 8.409 1.00 0.37 C ATOM 532 CG GLU A 34 -1.160 14.910 7.408 1.00 1.01 C ATOM 533 CD GLU A 34 0.223 15.151 6.844 1.00 1.68 C ATOM 534 OE1 GLU A 34 1.050 15.782 7.537 1.00 2.14 O ATOM 535 OE2 GLU A 34 0.483 14.719 5.706 1.00 2.13 O ATOM 0 H GLU A 34 -2.085 12.893 6.294 1.00 0.25 H new ATOM 0 HA GLU A 34 0.327 12.434 7.691 1.00 0.30 H new ATOM 0 HB2 GLU A 34 -2.222 13.676 8.787 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.572 14.029 9.260 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -1.846 14.692 6.590 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -1.515 15.823 7.887 1.00 1.01 H new ATOM 542 N GLU A 35 -2.197 10.626 8.524 1.00 0.26 N ATOM 543 CA GLU A 35 -2.694 9.589 9.398 1.00 0.29 C ATOM 544 C GLU A 35 -1.847 8.339 9.253 1.00 0.29 C ATOM 545 O GLU A 35 -1.539 7.671 10.237 1.00 0.43 O ATOM 546 CB GLU A 35 -4.159 9.266 9.081 1.00 0.34 C ATOM 547 CG GLU A 35 -5.158 9.924 10.016 1.00 0.61 C ATOM 548 CD GLU A 35 -5.050 9.415 11.437 1.00 1.23 C ATOM 549 OE1 GLU A 35 -5.658 8.370 11.748 1.00 1.81 O ATOM 550 OE2 GLU A 35 -4.354 10.052 12.253 1.00 1.71 O ATOM 0 H GLU A 35 -2.743 10.757 7.672 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.634 9.948 10.426 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.375 9.578 8.059 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -4.298 8.186 9.121 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -5.001 11.003 10.008 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -6.168 9.746 9.646 1.00 0.61 H new ATOM 557 N LEU A 36 -1.450 8.036 8.022 1.00 0.27 N ATOM 558 CA LEU A 36 -0.686 6.823 7.764 1.00 0.29 C ATOM 559 C LEU A 36 0.804 7.061 7.958 1.00 0.32 C ATOM 560 O LEU A 36 1.557 6.119 8.193 1.00 0.46 O ATOM 561 CB LEU A 36 -0.942 6.272 6.363 1.00 0.29 C ATOM 562 CG LEU A 36 -2.356 5.757 6.129 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.240 6.867 5.606 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.357 4.578 5.173 1.00 0.29 C ATOM 0 H LEU A 36 -1.642 8.605 7.198 1.00 0.27 H new ATOM 0 HA LEU A 36 -1.025 6.081 8.487 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.730 7.055 5.635 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.239 5.461 6.172 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.755 5.414 7.084 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.247 6.484 5.444 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.273 7.679 6.333 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -2.837 7.240 4.664 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.380 4.231 5.024 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -1.935 4.885 4.216 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.757 3.770 5.591 1.00 0.29 H new ATOM 576 N LEU A 37 1.212 8.323 7.837 1.00 0.41 N ATOM 577 CA LEU A 37 2.623 8.688 7.870 1.00 0.48 C ATOM 578 C LEU A 37 3.298 8.280 9.173 1.00 0.60 C ATOM 579 O LEU A 37 3.304 9.024 10.155 1.00 1.27 O ATOM 580 CB LEU A 37 2.816 10.191 7.634 1.00 0.76 C ATOM 581 CG LEU A 37 2.468 10.702 6.232 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.320 11.910 5.886 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.645 9.610 5.191 1.00 0.94 C ATOM 0 H LEU A 37 0.579 9.113 7.715 1.00 0.41 H new ATOM 0 HA LEU A 37 3.099 8.137 7.059 1.00 0.48 H new ATOM 0 HB2 LEU A 37 2.208 10.733 8.358 1.00 0.76 H new ATOM 0 HB3 LEU A 37 3.857 10.440 7.842 1.00 0.76 H new ATOM 0 HG LEU A 37 1.419 10.999 6.230 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.063 12.263 4.887 1.00 0.77 H new ATOM 0 HD12 LEU A 37 3.137 12.704 6.610 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.374 11.632 5.912 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.391 10.002 4.206 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.681 9.272 5.191 1.00 0.94 H new ATOM 0 HD23 LEU A 37 1.990 8.772 5.428 1.00 0.94 H new ATOM 595 N GLY A 38 3.813 7.063 9.182 1.00 0.31 N ATOM 596 CA GLY A 38 4.597 6.587 10.291 1.00 0.44 C ATOM 597 C GLY A 38 3.835 5.606 11.151 1.00 0.42 C ATOM 598 O GLY A 38 4.011 5.582 12.368 1.00 0.54 O ATOM 0 H GLY A 38 3.697 6.389 8.426 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.503 6.111 9.915 1.00 0.44 H new ATOM 0 HA3 GLY A 38 4.912 7.434 10.901 1.00 0.44 H new ATOM 602 N ARG A 39 2.979 4.794 10.533 1.00 0.34 N ATOM 603 CA ARG A 39 2.238 3.787 11.286 1.00 0.37 C ATOM 604 C ARG A 39 2.375 2.411 10.649 1.00 0.35 C ATOM 605 O ARG A 39 2.229 2.269 9.436 1.00 0.48 O ATOM 606 CB ARG A 39 0.756 4.149 11.388 1.00 0.48 C ATOM 607 CG ARG A 39 0.034 4.152 10.052 1.00 0.48 C ATOM 608 CD ARG A 39 -1.473 4.055 10.230 1.00 0.69 C ATOM 609 NE ARG A 39 -2.024 5.168 10.997 1.00 1.38 N ATOM 610 CZ ARG A 39 -3.106 5.079 11.764 1.00 1.72 C ATOM 611 NH1 ARG A 39 -3.708 3.907 11.937 1.00 1.80 N ATOM 612 NH2 ARG A 39 -3.573 6.156 12.383 1.00 2.61 N ATOM 0 H ARG A 39 2.784 4.812 9.532 1.00 0.34 H new ATOM 0 HA ARG A 39 2.667 3.761 12.288 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.264 3.442 12.055 1.00 0.48 H new ATOM 0 HB3 ARG A 39 0.663 5.135 11.843 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.279 5.064 9.508 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.384 3.316 9.447 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.949 4.024 9.250 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.716 3.118 10.732 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.550 6.069 10.941 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -3.340 3.072 11.481 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -4.538 3.842 12.526 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -3.102 7.053 12.270 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -4.403 6.086 12.971 1.00 2.61 H new ATOM 626 N SER A 40 2.751 1.429 11.465 1.00 0.37 N ATOM 627 CA SER A 40 2.717 0.017 11.079 1.00 0.43 C ATOM 628 C SER A 40 1.483 -0.339 10.246 1.00 0.39 C ATOM 629 O SER A 40 0.378 -0.498 10.768 1.00 0.43 O ATOM 630 CB SER A 40 2.763 -0.850 12.336 1.00 0.57 C ATOM 631 OG SER A 40 3.851 -0.470 13.171 1.00 1.23 O ATOM 0 H SER A 40 3.089 1.588 12.414 1.00 0.37 H new ATOM 0 HA SER A 40 3.588 -0.173 10.452 1.00 0.43 H new ATOM 0 HB2 SER A 40 1.826 -0.753 12.885 1.00 0.57 H new ATOM 0 HB3 SER A 40 2.862 -1.899 12.057 1.00 0.57 H new ATOM 0 HG SER A 40 3.862 -1.036 13.971 1.00 1.23 H new ATOM 637 N ALA A 41 1.703 -0.446 8.938 1.00 0.35 N ATOM 638 CA ALA A 41 0.663 -0.819 7.991 1.00 0.34 C ATOM 639 C ALA A 41 -0.056 -2.079 8.415 1.00 0.33 C ATOM 640 O ALA A 41 -1.274 -2.138 8.373 1.00 0.33 O ATOM 641 CB ALA A 41 1.250 -1.030 6.608 1.00 0.35 C ATOM 0 H ALA A 41 2.611 -0.275 8.507 1.00 0.35 H new ATOM 0 HA ALA A 41 -0.054 0.002 7.968 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.456 -1.308 5.914 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.722 -0.108 6.268 1.00 0.35 H new ATOM 0 HB3 ALA A 41 1.994 -1.826 6.646 1.00 0.35 H new ATOM 647 N TYR A 42 0.709 -3.072 8.852 1.00 0.37 N ATOM 648 CA TYR A 42 0.190 -4.416 9.114 1.00 0.42 C ATOM 649 C TYR A 42 -0.970 -4.452 10.121 1.00 0.47 C ATOM 650 O TYR A 42 -1.621 -5.486 10.271 1.00 0.55 O ATOM 651 CB TYR A 42 1.323 -5.334 9.569 1.00 0.47 C ATOM 652 CG TYR A 42 2.249 -5.733 8.438 1.00 0.54 C ATOM 653 CD1 TYR A 42 1.953 -6.829 7.635 1.00 0.72 C ATOM 654 CD2 TYR A 42 3.407 -5.013 8.162 1.00 0.67 C ATOM 655 CE1 TYR A 42 2.781 -7.198 6.594 1.00 0.90 C ATOM 656 CE2 TYR A 42 4.241 -5.376 7.117 1.00 0.84 C ATOM 657 CZ TYR A 42 3.922 -6.472 6.339 1.00 0.91 C ATOM 658 OH TYR A 42 4.742 -6.841 5.294 1.00 1.14 O ATOM 0 H TYR A 42 1.707 -2.972 9.036 1.00 0.37 H new ATOM 0 HA TYR A 42 -0.225 -4.773 8.172 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.901 -4.832 10.345 1.00 0.47 H new ATOM 0 HB3 TYR A 42 0.898 -6.232 10.018 1.00 0.47 H new ATOM 0 HD1 TYR A 42 1.059 -7.402 7.829 1.00 0.72 H new ATOM 0 HD2 TYR A 42 3.660 -4.158 8.772 1.00 0.67 H new ATOM 0 HE1 TYR A 42 2.534 -8.053 5.982 1.00 0.90 H new ATOM 0 HE2 TYR A 42 5.135 -4.806 6.912 1.00 0.84 H new ATOM 0 HH TYR A 42 5.592 -6.358 5.359 1.00 1.14 H new ATOM 668 N GLU A 43 -1.239 -3.345 10.809 1.00 0.48 N ATOM 669 CA GLU A 43 -2.374 -3.281 11.728 1.00 0.56 C ATOM 670 C GLU A 43 -3.699 -3.148 10.966 1.00 0.57 C ATOM 671 O GLU A 43 -4.776 -3.240 11.556 1.00 1.01 O ATOM 672 CB GLU A 43 -2.218 -2.111 12.697 1.00 0.65 C ATOM 673 CG GLU A 43 -0.948 -2.169 13.524 1.00 0.95 C ATOM 674 CD GLU A 43 -0.911 -1.105 14.595 1.00 1.72 C ATOM 675 OE1 GLU A 43 -0.409 0.004 14.317 1.00 2.57 O ATOM 676 OE2 GLU A 43 -1.379 -1.371 15.719 1.00 1.89 O ATOM 0 H GLU A 43 -0.692 -2.486 10.749 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.391 -4.213 12.293 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -2.231 -1.179 12.132 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -3.077 -2.089 13.368 1.00 0.65 H new ATOM 0 HG2 GLU A 43 -0.864 -3.152 13.988 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -0.085 -2.052 12.869 1.00 0.95 H new ATOM 683 N PHE A 44 -3.602 -2.929 9.657 1.00 0.40 N ATOM 684 CA PHE A 44 -4.775 -2.759 8.796 1.00 0.38 C ATOM 685 C PHE A 44 -4.445 -3.145 7.359 1.00 0.30 C ATOM 686 O PHE A 44 -5.301 -3.098 6.471 1.00 0.40 O ATOM 687 CB PHE A 44 -5.261 -1.302 8.841 1.00 0.48 C ATOM 688 CG PHE A 44 -4.238 -0.294 8.390 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.272 0.184 9.264 1.00 0.50 C ATOM 690 CD2 PHE A 44 -4.244 0.178 7.086 1.00 0.62 C ATOM 691 CE1 PHE A 44 -2.336 1.108 8.845 1.00 0.56 C ATOM 692 CE2 PHE A 44 -3.309 1.101 6.664 1.00 0.77 C ATOM 693 CZ PHE A 44 -2.355 1.567 7.544 1.00 0.70 C ATOM 0 H PHE A 44 -2.712 -2.864 9.162 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.566 -3.412 9.164 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -6.148 -1.208 8.214 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.564 -1.064 9.861 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -3.252 -0.171 10.284 1.00 0.50 H new ATOM 0 HD2 PHE A 44 -4.990 -0.181 6.392 1.00 0.62 H new ATOM 0 HE1 PHE A 44 -1.589 1.471 9.535 1.00 0.56 H new ATOM 0 HE2 PHE A 44 -3.324 1.458 5.645 1.00 0.77 H new ATOM 0 HZ PHE A 44 -1.624 2.290 7.215 1.00 0.70 H new ATOM 703 N TYR A 45 -3.190 -3.508 7.133 1.00 0.29 N ATOM 704 CA TYR A 45 -2.696 -3.909 5.829 1.00 0.28 C ATOM 705 C TYR A 45 -3.295 -5.233 5.382 1.00 0.30 C ATOM 706 O TYR A 45 -2.606 -6.251 5.354 1.00 0.37 O ATOM 707 CB TYR A 45 -1.176 -4.038 5.897 1.00 0.34 C ATOM 708 CG TYR A 45 -0.448 -3.556 4.668 1.00 0.42 C ATOM 709 CD1 TYR A 45 -0.811 -2.371 4.048 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.618 -4.273 4.150 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.135 -1.913 2.939 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.305 -3.821 3.043 1.00 0.68 C ATOM 713 CZ TYR A 45 0.924 -2.638 2.439 1.00 0.68 C ATOM 714 OH TYR A 45 1.606 -2.179 1.337 1.00 0.85 O ATOM 0 H TYR A 45 -2.478 -3.532 7.863 1.00 0.29 H new ATOM 0 HA TYR A 45 -2.988 -3.150 5.103 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.816 -3.478 6.760 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -0.921 -5.084 6.067 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -1.637 -1.797 4.441 1.00 0.47 H new ATOM 0 HD2 TYR A 45 0.915 -5.199 4.620 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -0.434 -0.990 2.464 1.00 0.61 H new ATOM 0 HE2 TYR A 45 2.136 -4.388 2.650 1.00 0.68 H new ATOM 0 HH TYR A 45 2.529 -2.506 1.364 1.00 0.85 H new ATOM 724 N HIS A 46 -4.581 -5.196 5.044 1.00 0.28 N ATOM 725 CA HIS A 46 -5.291 -6.340 4.463 1.00 0.31 C ATOM 726 C HIS A 46 -5.472 -7.437 5.510 1.00 0.37 C ATOM 727 O HIS A 46 -4.524 -8.112 5.852 1.00 0.57 O ATOM 728 CB HIS A 46 -4.527 -6.890 3.241 1.00 0.37 C ATOM 729 CG HIS A 46 -3.827 -5.827 2.446 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.472 -5.844 2.207 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.283 -4.673 1.911 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.127 -4.743 1.567 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.206 -4.018 1.374 1.00 0.43 N ATOM 0 H HIS A 46 -5.166 -4.369 5.165 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.274 -6.004 4.132 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -3.794 -7.622 3.580 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.226 -7.417 2.592 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.307 -4.330 1.907 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.127 -4.482 1.254 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.237 -3.115 0.901 1.00 0.43 H new ATOM 742 N ALA A 47 -6.683 -7.618 6.019 1.00 0.39 N ATOM 743 CA ALA A 47 -6.896 -8.556 7.125 1.00 0.44 C ATOM 744 C ALA A 47 -6.487 -9.986 6.756 1.00 0.44 C ATOM 745 O ALA A 47 -5.570 -10.549 7.350 1.00 0.48 O ATOM 746 CB ALA A 47 -8.348 -8.527 7.564 1.00 0.57 C ATOM 0 H ALA A 47 -7.523 -7.139 5.694 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.259 -8.236 7.950 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.494 -9.228 8.386 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -8.608 -7.521 7.894 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -8.987 -8.811 6.728 1.00 0.57 H new ATOM 752 N LEU A 48 -7.156 -10.563 5.766 1.00 0.48 N ATOM 753 CA LEU A 48 -6.840 -11.918 5.325 1.00 0.53 C ATOM 754 C LEU A 48 -5.850 -11.916 4.164 1.00 0.48 C ATOM 755 O LEU A 48 -5.218 -12.932 3.871 1.00 0.52 O ATOM 756 CB LEU A 48 -8.112 -12.684 4.939 1.00 0.67 C ATOM 757 CG LEU A 48 -8.961 -12.074 3.819 1.00 0.76 C ATOM 758 CD1 LEU A 48 -9.883 -13.134 3.240 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.784 -10.899 4.333 1.00 0.99 C ATOM 0 H LEU A 48 -7.918 -10.117 5.254 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.370 -12.428 6.166 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.826 -13.693 4.640 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.736 -12.780 5.827 1.00 0.67 H new ATOM 0 HG LEU A 48 -8.291 -11.707 3.042 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.485 -12.697 2.444 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -9.288 -13.953 2.837 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -10.538 -13.514 4.024 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -10.377 -10.485 3.517 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.448 -11.240 5.127 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -9.117 -10.130 4.723 1.00 0.99 H new ATOM 771 N ASP A 49 -5.702 -10.768 3.520 1.00 0.45 N ATOM 772 CA ASP A 49 -4.834 -10.647 2.348 1.00 0.45 C ATOM 773 C ASP A 49 -3.477 -10.082 2.757 1.00 0.41 C ATOM 774 O ASP A 49 -2.654 -9.717 1.913 1.00 0.49 O ATOM 775 CB ASP A 49 -5.489 -9.737 1.306 1.00 0.55 C ATOM 776 CG ASP A 49 -6.804 -10.288 0.795 1.00 0.91 C ATOM 777 OD1 ASP A 49 -6.780 -11.093 -0.158 1.00 1.07 O ATOM 778 OD2 ASP A 49 -7.858 -9.921 1.344 1.00 1.64 O ATOM 0 H ASP A 49 -6.171 -9.902 3.787 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.686 -11.636 1.913 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -5.657 -8.753 1.743 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -4.806 -9.601 0.467 1.00 0.55 H new ATOM 783 N SER A 50 -3.257 -9.991 4.066 1.00 0.36 N ATOM 784 CA SER A 50 -1.982 -9.522 4.603 1.00 0.35 C ATOM 785 C SER A 50 -0.856 -10.470 4.229 1.00 0.35 C ATOM 786 O SER A 50 0.165 -10.034 3.709 1.00 0.41 O ATOM 787 CB SER A 50 -2.032 -9.380 6.127 1.00 0.37 C ATOM 788 OG SER A 50 -1.042 -8.476 6.586 1.00 1.25 O ATOM 0 H SER A 50 -3.947 -10.236 4.776 1.00 0.36 H new ATOM 0 HA SER A 50 -1.793 -8.542 4.165 1.00 0.35 H new ATOM 0 HB2 SER A 50 -3.018 -9.030 6.431 1.00 0.37 H new ATOM 0 HB3 SER A 50 -1.883 -10.355 6.592 1.00 0.37 H new ATOM 0 HG SER A 50 -1.289 -7.563 6.330 1.00 1.25 H new ATOM 794 N GLU A 51 -1.050 -11.765 4.489 1.00 0.38 N ATOM 795 CA GLU A 51 -0.038 -12.770 4.170 1.00 0.45 C ATOM 796 C GLU A 51 0.302 -12.716 2.691 1.00 0.43 C ATOM 797 O GLU A 51 1.461 -12.834 2.303 1.00 0.47 O ATOM 798 CB GLU A 51 -0.523 -14.168 4.548 1.00 0.55 C ATOM 799 CG GLU A 51 -0.681 -14.370 6.042 1.00 1.32 C ATOM 800 CD GLU A 51 -1.096 -15.782 6.391 1.00 1.99 C ATOM 801 OE1 GLU A 51 -0.231 -16.681 6.371 1.00 2.49 O ATOM 802 OE2 GLU A 51 -2.289 -16.000 6.682 1.00 2.68 O ATOM 0 H GLU A 51 -1.896 -12.140 4.918 1.00 0.38 H new ATOM 0 HA GLU A 51 0.859 -12.551 4.750 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -1.480 -14.356 4.061 1.00 0.55 H new ATOM 0 HB3 GLU A 51 0.181 -14.905 4.162 1.00 0.55 H new ATOM 0 HG2 GLU A 51 0.261 -14.137 6.539 1.00 1.32 H new ATOM 0 HG3 GLU A 51 -1.424 -13.670 6.424 1.00 1.32 H new ATOM 809 N ASN A 52 -0.726 -12.512 1.878 1.00 0.43 N ATOM 810 CA ASN A 52 -0.561 -12.326 0.443 1.00 0.48 C ATOM 811 C ASN A 52 0.428 -11.197 0.160 1.00 0.41 C ATOM 812 O ASN A 52 1.447 -11.396 -0.500 1.00 0.44 O ATOM 813 CB ASN A 52 -1.920 -12.013 -0.191 1.00 0.56 C ATOM 814 CG ASN A 52 -1.827 -11.652 -1.660 1.00 1.11 C ATOM 815 OD1 ASN A 52 -1.672 -10.485 -2.020 1.00 1.96 O ATOM 816 ND2 ASN A 52 -1.918 -12.647 -2.517 1.00 1.31 N ATOM 0 H ASN A 52 -1.695 -12.471 2.194 1.00 0.43 H new ATOM 0 HA ASN A 52 -0.164 -13.244 0.009 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -2.574 -12.877 -0.077 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -2.384 -11.188 0.350 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -1.860 -12.464 -3.519 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -2.046 -13.601 -2.179 1.00 1.31 H new ATOM 823 N MET A 53 0.130 -10.021 0.697 1.00 0.35 N ATOM 824 CA MET A 53 0.978 -8.852 0.491 1.00 0.35 C ATOM 825 C MET A 53 2.321 -9.012 1.214 1.00 0.34 C ATOM 826 O MET A 53 3.320 -8.414 0.826 1.00 0.35 O ATOM 827 CB MET A 53 0.260 -7.588 0.959 1.00 0.42 C ATOM 828 CG MET A 53 0.451 -6.401 0.027 1.00 0.96 C ATOM 829 SD MET A 53 2.116 -5.716 0.072 1.00 1.28 S ATOM 830 CE MET A 53 2.031 -4.551 -1.283 1.00 0.79 C ATOM 0 H MET A 53 -0.691 -9.850 1.278 1.00 0.35 H new ATOM 0 HA MET A 53 1.182 -8.761 -0.576 1.00 0.35 H new ATOM 0 HB2 MET A 53 -0.805 -7.798 1.053 1.00 0.42 H new ATOM 0 HB3 MET A 53 0.621 -7.321 1.952 1.00 0.42 H new ATOM 0 HG2 MET A 53 0.220 -6.709 -0.993 1.00 0.96 H new ATOM 0 HG3 MET A 53 -0.262 -5.621 0.294 1.00 0.96 H new ATOM 0 HE1 MET A 53 2.989 -4.042 -1.386 1.00 0.79 H new ATOM 0 HE2 MET A 53 1.801 -5.083 -2.206 1.00 0.79 H new ATOM 0 HE3 MET A 53 1.250 -3.817 -1.083 1.00 0.79 H new ATOM 840 N THR A 54 2.340 -9.821 2.265 1.00 0.37 N ATOM 841 CA THR A 54 3.585 -10.154 2.950 1.00 0.45 C ATOM 842 C THR A 54 4.548 -10.831 1.980 1.00 0.45 C ATOM 843 O THR A 54 5.742 -10.537 1.966 1.00 0.48 O ATOM 844 CB THR A 54 3.345 -11.081 4.161 1.00 0.55 C ATOM 845 OG1 THR A 54 2.460 -10.452 5.096 1.00 0.57 O ATOM 846 CG2 THR A 54 4.657 -11.431 4.854 1.00 0.72 C ATOM 0 H THR A 54 1.509 -10.259 2.663 1.00 0.37 H new ATOM 0 HA THR A 54 4.016 -9.222 3.316 1.00 0.45 H new ATOM 0 HB THR A 54 2.892 -12.002 3.794 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.607 -10.253 4.656 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.457 -12.085 5.703 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.315 -11.941 4.151 1.00 0.72 H new ATOM 0 HG23 THR A 54 5.138 -10.518 5.205 1.00 0.72 H new ATOM 854 N LYS A 55 4.009 -11.716 1.150 1.00 0.46 N ATOM 855 CA LYS A 55 4.799 -12.402 0.137 1.00 0.52 C ATOM 856 C LYS A 55 5.237 -11.416 -0.933 1.00 0.41 C ATOM 857 O LYS A 55 6.328 -11.530 -1.474 1.00 0.42 O ATOM 858 CB LYS A 55 3.994 -13.547 -0.489 1.00 0.67 C ATOM 859 CG LYS A 55 4.040 -14.860 0.292 1.00 0.95 C ATOM 860 CD LYS A 55 3.755 -14.668 1.774 1.00 1.14 C ATOM 861 CE LYS A 55 3.610 -15.992 2.509 1.00 1.37 C ATOM 862 NZ LYS A 55 2.504 -16.820 1.961 1.00 1.49 N ATOM 0 H LYS A 55 3.023 -11.976 1.160 1.00 0.46 H new ATOM 0 HA LYS A 55 5.684 -12.826 0.611 1.00 0.52 H new ATOM 0 HB2 LYS A 55 2.955 -13.233 -0.584 1.00 0.67 H new ATOM 0 HB3 LYS A 55 4.367 -13.726 -1.497 1.00 0.67 H new ATOM 0 HG2 LYS A 55 3.312 -15.554 -0.128 1.00 0.95 H new ATOM 0 HG3 LYS A 55 5.022 -15.317 0.171 1.00 0.95 H new ATOM 0 HD2 LYS A 55 4.562 -14.091 2.225 1.00 1.14 H new ATOM 0 HD3 LYS A 55 2.841 -14.086 1.894 1.00 1.14 H new ATOM 0 HE2 LYS A 55 4.545 -16.548 2.441 1.00 1.37 H new ATOM 0 HE3 LYS A 55 3.429 -15.801 3.567 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 2.251 -17.559 2.647 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 1.676 -16.217 1.780 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 2.810 -17.263 1.072 1.00 1.49 H new ATOM 876 N SER A 56 4.383 -10.442 -1.220 1.00 0.36 N ATOM 877 CA SER A 56 4.730 -9.364 -2.133 1.00 0.34 C ATOM 878 C SER A 56 5.873 -8.524 -1.555 1.00 0.28 C ATOM 879 O SER A 56 6.825 -8.190 -2.255 1.00 0.28 O ATOM 880 CB SER A 56 3.503 -8.490 -2.394 1.00 0.39 C ATOM 881 OG SER A 56 2.425 -9.268 -2.887 1.00 1.26 O ATOM 0 H SER A 56 3.442 -10.378 -0.831 1.00 0.36 H new ATOM 0 HA SER A 56 5.064 -9.793 -3.078 1.00 0.34 H new ATOM 0 HB2 SER A 56 3.205 -7.990 -1.473 1.00 0.39 H new ATOM 0 HB3 SER A 56 3.753 -7.710 -3.113 1.00 0.39 H new ATOM 0 HG SER A 56 1.650 -8.690 -3.046 1.00 1.26 H new ATOM 887 N HIS A 57 5.772 -8.202 -0.267 1.00 0.29 N ATOM 888 CA HIS A 57 6.820 -7.474 0.449 1.00 0.30 C ATOM 889 C HIS A 57 8.118 -8.286 0.452 1.00 0.31 C ATOM 890 O HIS A 57 9.203 -7.744 0.261 1.00 0.34 O ATOM 891 CB HIS A 57 6.343 -7.185 1.887 1.00 0.35 C ATOM 892 CG HIS A 57 7.320 -6.449 2.769 1.00 0.36 C ATOM 893 ND1 HIS A 57 7.233 -6.467 4.144 1.00 0.53 N ATOM 894 CD2 HIS A 57 8.392 -5.671 2.477 1.00 0.34 C ATOM 895 CE1 HIS A 57 8.209 -5.742 4.656 1.00 0.51 C ATOM 896 NE2 HIS A 57 8.929 -5.249 3.667 1.00 0.39 N ATOM 0 H HIS A 57 4.964 -8.437 0.309 1.00 0.29 H new ATOM 0 HA HIS A 57 7.020 -6.527 -0.052 1.00 0.30 H new ATOM 0 HB2 HIS A 57 5.422 -6.604 1.834 1.00 0.35 H new ATOM 0 HB3 HIS A 57 6.095 -8.133 2.364 1.00 0.35 H new ATOM 0 HD2 HIS A 57 8.756 -5.428 1.490 1.00 0.34 H new ATOM 0 HE1 HIS A 57 8.388 -5.579 5.709 1.00 0.51 H new ATOM 0 HE2 HIS A 57 9.750 -4.652 3.770 1.00 0.39 H new ATOM 905 N GLN A 58 7.985 -9.587 0.658 1.00 0.32 N ATOM 906 CA GLN A 58 9.108 -10.505 0.656 1.00 0.37 C ATOM 907 C GLN A 58 9.684 -10.682 -0.753 1.00 0.33 C ATOM 908 O GLN A 58 10.881 -10.904 -0.925 1.00 0.37 O ATOM 909 CB GLN A 58 8.620 -11.841 1.217 1.00 0.46 C ATOM 910 CG GLN A 58 9.565 -12.996 0.984 1.00 1.24 C ATOM 911 CD GLN A 58 9.055 -14.296 1.570 1.00 1.77 C ATOM 912 OE1 GLN A 58 9.342 -14.631 2.718 1.00 2.36 O ATOM 913 NE2 GLN A 58 8.289 -15.036 0.785 1.00 2.26 N ATOM 0 H GLN A 58 7.086 -10.037 0.832 1.00 0.32 H new ATOM 0 HA GLN A 58 9.912 -10.106 1.274 1.00 0.37 H new ATOM 0 HB2 GLN A 58 8.455 -11.733 2.289 1.00 0.46 H new ATOM 0 HB3 GLN A 58 7.656 -12.080 0.768 1.00 0.46 H new ATOM 0 HG2 GLN A 58 9.721 -13.122 -0.087 1.00 1.24 H new ATOM 0 HG3 GLN A 58 10.535 -12.761 1.422 1.00 1.24 H new ATOM 0 HE21 GLN A 58 8.075 -14.722 -0.161 1.00 2.26 H new ATOM 0 HE22 GLN A 58 7.913 -15.921 1.126 1.00 2.26 H new ATOM 922 N ASN A 59 8.830 -10.537 -1.754 1.00 0.28 N ATOM 923 CA ASN A 59 9.225 -10.759 -3.137 1.00 0.28 C ATOM 924 C ASN A 59 9.893 -9.508 -3.682 1.00 0.29 C ATOM 925 O ASN A 59 10.976 -9.561 -4.257 1.00 0.34 O ATOM 926 CB ASN A 59 8.003 -11.112 -3.990 1.00 0.30 C ATOM 927 CG ASN A 59 8.359 -11.490 -5.415 1.00 0.38 C ATOM 928 OD1 ASN A 59 9.415 -12.064 -5.677 1.00 0.64 O ATOM 929 ND2 ASN A 59 7.476 -11.166 -6.345 1.00 0.83 N ATOM 0 H ASN A 59 7.854 -10.265 -1.634 1.00 0.28 H new ATOM 0 HA ASN A 59 9.928 -11.591 -3.176 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.469 -11.940 -3.524 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.321 -10.262 -4.006 1.00 0.30 H new ATOM 0 HD21 ASN A 59 7.659 -11.392 -7.323 1.00 0.83 H new ATOM 0 HD22 ASN A 59 6.612 -10.690 -6.084 1.00 0.83 H new ATOM 936 N LEU A 60 9.242 -8.377 -3.445 1.00 0.27 N ATOM 937 CA LEU A 60 9.685 -7.081 -3.946 1.00 0.28 C ATOM 938 C LEU A 60 11.123 -6.772 -3.539 1.00 0.34 C ATOM 939 O LEU A 60 11.877 -6.190 -4.315 1.00 0.43 O ATOM 940 CB LEU A 60 8.737 -5.997 -3.420 1.00 0.25 C ATOM 941 CG LEU A 60 9.129 -4.552 -3.714 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.256 -4.327 -5.208 1.00 0.29 C ATOM 943 CD2 LEU A 60 8.110 -3.594 -3.112 1.00 0.33 C ATOM 0 H LEU A 60 8.384 -8.332 -2.895 1.00 0.27 H new ATOM 0 HA LEU A 60 9.662 -7.105 -5.035 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.747 -6.175 -3.841 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.650 -6.114 -2.340 1.00 0.25 H new ATOM 0 HG LEU A 60 10.099 -4.357 -3.257 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.536 -3.291 -5.397 1.00 0.29 H new ATOM 0 HD12 LEU A 60 10.022 -4.989 -5.612 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.302 -4.539 -5.690 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.403 -2.567 -3.330 1.00 0.33 H new ATOM 0 HD22 LEU A 60 7.128 -3.790 -3.542 1.00 0.33 H new ATOM 0 HD23 LEU A 60 8.069 -3.738 -2.032 1.00 0.33 H new ATOM 955 N CYS A 61 11.497 -7.185 -2.337 1.00 0.36 N ATOM 956 CA CYS A 61 12.816 -6.877 -1.797 1.00 0.48 C ATOM 957 C CYS A 61 13.937 -7.351 -2.728 1.00 0.58 C ATOM 958 O CYS A 61 14.741 -6.545 -3.196 1.00 0.92 O ATOM 959 CB CYS A 61 12.972 -7.505 -0.408 1.00 0.54 C ATOM 960 SG CYS A 61 11.917 -6.762 0.859 1.00 1.20 S ATOM 0 H CYS A 61 10.905 -7.736 -1.715 1.00 0.36 H new ATOM 0 HA CYS A 61 12.899 -5.793 -1.714 1.00 0.48 H new ATOM 0 HB2 CYS A 61 12.747 -8.569 -0.475 1.00 0.54 H new ATOM 0 HB3 CYS A 61 14.013 -7.418 -0.096 1.00 0.54 H new ATOM 0 HG CYS A 61 10.669 -6.907 0.524 1.00 1.20 H new ATOM 966 N THR A 62 13.978 -8.647 -3.011 1.00 0.54 N ATOM 967 CA THR A 62 15.020 -9.208 -3.866 1.00 0.76 C ATOM 968 C THR A 62 14.705 -9.084 -5.353 1.00 0.60 C ATOM 969 O THR A 62 15.482 -9.524 -6.203 1.00 0.82 O ATOM 970 CB THR A 62 15.265 -10.684 -3.504 1.00 1.11 C ATOM 971 OG1 THR A 62 15.076 -10.861 -2.091 1.00 1.27 O ATOM 972 CG2 THR A 62 16.675 -11.123 -3.882 1.00 1.45 C ATOM 0 H THR A 62 13.304 -9.329 -2.663 1.00 0.54 H new ATOM 0 HA THR A 62 15.922 -8.624 -3.683 1.00 0.76 H new ATOM 0 HB THR A 62 14.557 -11.296 -4.063 1.00 1.11 H new ATOM 0 HG1 THR A 62 15.229 -11.800 -1.856 1.00 1.27 H new ATOM 0 HG21 THR A 62 16.815 -12.170 -3.613 1.00 1.45 H new ATOM 0 HG22 THR A 62 16.818 -11.002 -4.956 1.00 1.45 H new ATOM 0 HG23 THR A 62 17.402 -10.511 -3.348 1.00 1.45 H new ATOM 980 N LYS A 63 13.586 -8.476 -5.677 1.00 0.50 N ATOM 981 CA LYS A 63 13.197 -8.354 -7.067 1.00 0.43 C ATOM 982 C LYS A 63 13.323 -6.923 -7.579 1.00 0.39 C ATOM 983 O LYS A 63 13.502 -6.704 -8.776 1.00 0.39 O ATOM 984 CB LYS A 63 11.775 -8.849 -7.256 1.00 0.45 C ATOM 985 CG LYS A 63 11.614 -10.351 -7.076 1.00 0.54 C ATOM 986 CD LYS A 63 12.300 -11.135 -8.184 1.00 0.68 C ATOM 987 CE LYS A 63 12.155 -12.638 -7.980 1.00 0.85 C ATOM 988 NZ LYS A 63 10.729 -13.062 -7.904 1.00 1.76 N ATOM 0 H LYS A 63 12.936 -8.063 -5.008 1.00 0.50 H new ATOM 0 HA LYS A 63 13.881 -8.970 -7.650 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.125 -8.337 -6.546 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.435 -8.575 -8.255 1.00 0.45 H new ATOM 0 HG2 LYS A 63 12.029 -10.647 -6.112 1.00 0.54 H new ATOM 0 HG3 LYS A 63 10.553 -10.602 -7.057 1.00 0.54 H new ATOM 0 HD2 LYS A 63 11.873 -10.855 -9.147 1.00 0.68 H new ATOM 0 HD3 LYS A 63 13.357 -10.872 -8.216 1.00 0.68 H new ATOM 0 HE2 LYS A 63 12.645 -13.163 -8.800 1.00 0.85 H new ATOM 0 HE3 LYS A 63 12.668 -12.929 -7.063 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 10.656 -14.076 -8.121 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 10.365 -12.886 -6.946 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 10.168 -12.520 -8.592 1.00 1.76 H new ATOM 1002 N GLY A 64 13.210 -5.951 -6.686 1.00 0.40 N ATOM 1003 CA GLY A 64 13.318 -4.558 -7.085 1.00 0.42 C ATOM 1004 C GLY A 64 12.029 -4.008 -7.668 1.00 0.37 C ATOM 1005 O GLY A 64 11.873 -2.795 -7.805 1.00 0.41 O ATOM 0 H GLY A 64 13.045 -6.100 -5.690 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.604 -3.959 -6.220 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.116 -4.457 -7.821 1.00 0.42 H new ATOM 1009 N GLN A 65 11.088 -4.893 -7.967 1.00 0.34 N ATOM 1010 CA GLN A 65 9.839 -4.506 -8.610 1.00 0.33 C ATOM 1011 C GLN A 65 8.844 -5.660 -8.536 1.00 0.34 C ATOM 1012 O GLN A 65 9.229 -6.827 -8.632 1.00 0.43 O ATOM 1013 CB GLN A 65 10.090 -4.095 -10.064 1.00 0.41 C ATOM 1014 CG GLN A 65 8.864 -3.530 -10.762 1.00 0.49 C ATOM 1015 CD GLN A 65 9.185 -2.956 -12.128 1.00 0.81 C ATOM 1016 OE1 GLN A 65 10.115 -3.402 -12.800 1.00 1.37 O ATOM 1017 NE2 GLN A 65 8.419 -1.961 -12.548 1.00 1.32 N ATOM 0 H GLN A 65 11.167 -5.891 -7.773 1.00 0.34 H new ATOM 0 HA GLN A 65 9.419 -3.647 -8.086 1.00 0.33 H new ATOM 0 HB2 GLN A 65 10.886 -3.351 -10.089 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.446 -4.962 -10.621 1.00 0.41 H new ATOM 0 HG2 GLN A 65 8.116 -4.316 -10.869 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.422 -2.752 -10.140 1.00 0.49 H new ATOM 0 HE21 GLN A 65 7.658 -1.620 -11.961 1.00 1.32 H new ATOM 0 HE22 GLN A 65 8.590 -1.535 -13.459 1.00 1.32 H new ATOM 1026 N VAL A 66 7.574 -5.329 -8.350 1.00 0.32 N ATOM 1027 CA VAL A 66 6.531 -6.326 -8.155 1.00 0.35 C ATOM 1028 C VAL A 66 5.182 -5.768 -8.617 1.00 0.33 C ATOM 1029 O VAL A 66 4.996 -4.555 -8.652 1.00 0.32 O ATOM 1030 CB VAL A 66 6.451 -6.735 -6.661 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.109 -5.541 -5.789 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.443 -7.839 -6.436 1.00 0.44 C ATOM 0 H VAL A 66 7.239 -4.366 -8.330 1.00 0.32 H new ATOM 0 HA VAL A 66 6.774 -7.208 -8.747 1.00 0.35 H new ATOM 0 HB VAL A 66 7.435 -7.110 -6.380 1.00 0.36 H new ATOM 0 HG11 VAL A 66 6.059 -5.854 -4.746 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.878 -4.776 -5.902 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.145 -5.133 -6.092 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.416 -8.097 -5.377 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.456 -7.501 -6.752 1.00 0.44 H new ATOM 0 HG23 VAL A 66 5.729 -8.716 -7.016 1.00 0.44 H new ATOM 1042 N VAL A 67 4.254 -6.640 -8.991 1.00 0.39 N ATOM 1043 CA VAL A 67 2.906 -6.210 -9.345 1.00 0.45 C ATOM 1044 C VAL A 67 1.876 -7.098 -8.653 1.00 0.49 C ATOM 1045 O VAL A 67 1.573 -8.197 -9.118 1.00 0.92 O ATOM 1046 CB VAL A 67 2.660 -6.230 -10.875 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.252 -5.747 -11.202 1.00 0.91 C ATOM 1048 CG2 VAL A 67 3.691 -5.381 -11.605 1.00 1.16 C ATOM 0 H VAL A 67 4.409 -7.646 -9.057 1.00 0.39 H new ATOM 0 HA VAL A 67 2.801 -5.179 -9.008 1.00 0.45 H new ATOM 0 HB VAL A 67 2.762 -7.261 -11.215 1.00 0.58 H new ATOM 0 HG11 VAL A 67 1.101 -5.769 -12.281 1.00 0.91 H new ATOM 0 HG12 VAL A 67 0.523 -6.398 -10.720 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.124 -4.727 -10.839 1.00 0.91 H new ATOM 0 HG21 VAL A 67 3.495 -5.413 -12.677 1.00 1.16 H new ATOM 0 HG22 VAL A 67 3.628 -4.351 -11.255 1.00 1.16 H new ATOM 0 HG23 VAL A 67 4.689 -5.771 -11.407 1.00 1.16 H new ATOM 1058 N SER A 68 1.383 -6.639 -7.512 1.00 0.52 N ATOM 1059 CA SER A 68 0.352 -7.364 -6.777 1.00 0.54 C ATOM 1060 C SER A 68 -1.005 -7.206 -7.454 1.00 0.53 C ATOM 1061 O SER A 68 -1.157 -6.394 -8.371 1.00 0.94 O ATOM 1062 CB SER A 68 0.295 -6.876 -5.325 1.00 0.58 C ATOM 1063 OG SER A 68 0.135 -5.470 -5.257 1.00 1.39 O ATOM 0 H SER A 68 1.679 -5.767 -7.073 1.00 0.52 H new ATOM 0 HA SER A 68 0.606 -8.424 -6.776 1.00 0.54 H new ATOM 0 HB2 SER A 68 -0.532 -7.363 -4.808 1.00 0.58 H new ATOM 0 HB3 SER A 68 1.209 -7.165 -4.807 1.00 0.58 H new ATOM 0 HG SER A 68 0.882 -5.033 -5.716 1.00 1.39 H new ATOM 1069 N GLY A 69 -1.985 -7.980 -7.012 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.301 -7.888 -7.584 1.00 0.43 C ATOM 1071 C GLY A 69 -4.300 -7.395 -6.569 1.00 0.38 C ATOM 1072 O GLY A 69 -3.922 -7.017 -5.460 1.00 0.42 O ATOM 0 H GLY A 69 -1.887 -8.669 -6.266 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.283 -7.212 -8.439 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -3.608 -8.865 -7.956 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.563 -7.392 -6.956 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.650 -6.972 -6.097 1.00 0.43 C ATOM 1078 C GLN A 70 -6.618 -7.696 -4.756 1.00 0.35 C ATOM 1079 O GLN A 70 -6.806 -8.911 -4.681 1.00 0.36 O ATOM 1080 CB GLN A 70 -7.968 -7.257 -6.800 1.00 0.62 C ATOM 1081 CG GLN A 70 -8.126 -6.534 -8.120 1.00 0.78 C ATOM 1082 CD GLN A 70 -9.438 -6.857 -8.800 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -9.525 -7.805 -9.578 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -10.468 -6.083 -8.501 1.00 1.31 N ATOM 0 H GLN A 70 -5.864 -7.685 -7.886 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.544 -5.905 -5.900 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -8.053 -8.330 -6.972 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -8.789 -6.974 -6.141 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -8.062 -5.459 -7.952 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -7.302 -6.804 -8.780 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -10.351 -5.307 -7.850 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -11.380 -6.262 -8.922 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.362 -6.930 -3.712 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.401 -7.422 -2.347 1.00 0.36 C ATOM 1095 C TYR A 71 -7.419 -6.606 -1.565 1.00 0.32 C ATOM 1096 O TYR A 71 -7.955 -5.633 -2.089 1.00 0.29 O ATOM 1097 CB TYR A 71 -5.015 -7.316 -1.692 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.391 -5.931 -1.749 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -5.074 -4.810 -1.287 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.113 -5.747 -2.260 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.509 -3.554 -1.334 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.536 -4.491 -2.304 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.242 -3.400 -1.840 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.673 -2.153 -1.862 1.00 0.68 O ATOM 0 H TYR A 71 -6.119 -5.942 -3.788 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.690 -8.473 -2.347 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -5.097 -7.620 -0.649 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -4.343 -8.023 -2.178 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -6.069 -4.927 -0.883 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.561 -6.599 -2.629 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -5.059 -2.697 -0.975 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.539 -4.365 -2.699 1.00 0.62 H new ATOM 0 HH TYR A 71 -1.882 -2.164 -2.441 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.671 -6.969 -0.319 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.584 -6.192 0.506 1.00 0.33 C ATOM 1116 C ARG A 72 -7.808 -5.269 1.427 1.00 0.27 C ATOM 1117 O ARG A 72 -7.091 -5.738 2.303 1.00 0.28 O ATOM 1118 CB ARG A 72 -9.450 -7.110 1.356 1.00 0.43 C ATOM 1119 CG ARG A 72 -10.302 -8.071 0.560 1.00 0.65 C ATOM 1120 CD ARG A 72 -10.925 -9.097 1.485 1.00 1.06 C ATOM 1121 NE ARG A 72 -11.763 -10.057 0.778 1.00 1.10 N ATOM 1122 CZ ARG A 72 -11.333 -11.243 0.342 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -10.046 -11.563 0.429 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -12.184 -12.093 -0.218 1.00 1.52 N ATOM 0 H ARG A 72 -7.264 -7.784 0.140 1.00 0.36 H new ATOM 0 HA ARG A 72 -9.217 -5.604 -0.159 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -8.806 -7.681 2.025 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -10.100 -6.500 1.983 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -11.083 -7.525 0.030 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -9.694 -8.570 -0.194 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -10.135 -9.631 2.013 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -11.523 -8.585 2.239 1.00 1.06 H new ATOM 0 HE ARG A 72 -12.737 -9.808 0.606 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -9.382 -10.901 0.830 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -9.722 -12.471 0.094 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -13.167 -11.840 -0.316 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -11.855 -12.999 -0.551 1.00 1.52 H new ATOM 1138 N MET A 73 -7.946 -3.967 1.251 1.00 0.26 N ATOM 1139 CA MET A 73 -7.305 -3.035 2.174 1.00 0.26 C ATOM 1140 C MET A 73 -8.328 -2.473 3.145 1.00 0.23 C ATOM 1141 O MET A 73 -9.446 -2.142 2.750 1.00 0.24 O ATOM 1142 CB MET A 73 -6.615 -1.887 1.452 1.00 0.30 C ATOM 1143 CG MET A 73 -5.803 -1.005 2.391 1.00 0.35 C ATOM 1144 SD MET A 73 -4.032 -1.140 2.092 1.00 0.77 S ATOM 1145 CE MET A 73 -3.428 0.152 3.170 1.00 0.60 C ATOM 0 H MET A 73 -8.481 -3.534 0.498 1.00 0.26 H new ATOM 0 HA MET A 73 -6.543 -3.597 2.714 1.00 0.26 H new ATOM 0 HB2 MET A 73 -5.959 -2.290 0.681 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.365 -1.278 0.946 1.00 0.30 H new ATOM 0 HG2 MET A 73 -6.112 0.033 2.269 1.00 0.35 H new ATOM 0 HG3 MET A 73 -6.017 -1.282 3.423 1.00 0.35 H new ATOM 0 HE1 MET A 73 -2.846 0.868 2.590 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.272 0.663 3.634 1.00 0.60 H new ATOM 0 HE3 MET A 73 -2.798 -0.285 3.944 1.00 0.60 H new ATOM 1155 N LEU A 74 -7.949 -2.388 4.414 1.00 0.22 N ATOM 1156 CA LEU A 74 -8.830 -1.849 5.438 1.00 0.25 C ATOM 1157 C LEU A 74 -8.972 -0.341 5.295 1.00 0.33 C ATOM 1158 O LEU A 74 -7.982 0.385 5.267 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.306 -2.175 6.833 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.312 -1.976 7.964 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -9.878 -3.315 8.392 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.673 -1.265 9.143 1.00 0.42 C ATOM 0 H LEU A 74 -7.036 -2.686 4.757 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.807 -2.313 5.305 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -7.969 -3.212 6.845 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.432 -1.554 7.031 1.00 0.24 H new ATOM 0 HG LEU A 74 -10.125 -1.349 7.598 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.595 -3.166 9.199 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.378 -3.786 7.546 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.069 -3.958 8.740 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.412 -1.136 9.934 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.840 -1.859 9.518 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -8.308 -0.288 8.825 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.211 0.103 5.189 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.527 1.523 5.183 1.00 0.26 C ATOM 1176 C ALA A 75 -10.524 2.082 6.599 1.00 0.31 C ATOM 1177 O ALA A 75 -9.996 1.469 7.524 1.00 0.60 O ATOM 1178 CB ALA A 75 -11.876 1.751 4.518 1.00 0.29 C ATOM 0 H ALA A 75 -11.025 -0.506 5.105 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.761 2.049 4.613 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.106 2.816 4.517 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.842 1.386 3.491 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.648 1.214 5.068 1.00 0.29 H new ATOM 1184 N LYS A 76 -11.171 3.217 6.775 1.00 0.28 N ATOM 1185 CA LYS A 76 -11.046 3.984 7.997 1.00 0.30 C ATOM 1186 C LYS A 76 -11.948 3.410 9.082 1.00 0.33 C ATOM 1187 O LYS A 76 -11.720 3.583 10.278 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.444 5.421 7.700 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.150 6.373 8.831 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.517 7.800 8.465 1.00 0.47 C ATOM 1191 CE LYS A 76 -13.015 7.967 8.237 1.00 0.53 C ATOM 1192 NZ LYS A 76 -13.794 7.830 9.497 1.00 1.23 N ATOM 0 H LYS A 76 -11.793 3.630 6.081 1.00 0.28 H new ATOM 0 HA LYS A 76 -10.017 3.942 8.355 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.918 5.758 6.806 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.510 5.455 7.475 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.706 6.069 9.718 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -10.091 6.322 9.085 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.195 8.472 9.260 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -10.979 8.092 7.563 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -13.207 8.946 7.798 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.357 7.222 7.518 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -14.793 8.051 9.313 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -13.714 6.855 9.850 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -13.420 8.488 10.210 1.00 1.23 H new ATOM 1206 N HIS A 77 -12.962 2.701 8.629 1.00 0.44 N ATOM 1207 CA HIS A 77 -14.024 2.200 9.487 1.00 0.62 C ATOM 1208 C HIS A 77 -14.084 0.683 9.410 1.00 0.69 C ATOM 1209 O HIS A 77 -15.145 0.074 9.538 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.373 2.841 9.103 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.484 3.252 7.659 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -16.228 2.573 6.724 1.00 0.74 N ATOM 1213 CD2 HIS A 77 -14.935 4.300 7.003 1.00 0.67 C ATOM 1214 CE1 HIS A 77 -16.131 3.190 5.559 1.00 0.70 C ATOM 1215 NE2 HIS A 77 -15.353 4.240 5.700 1.00 0.69 N ATOM 0 H HIS A 77 -13.076 2.452 7.646 1.00 0.44 H new ATOM 0 HA HIS A 77 -13.810 2.476 10.520 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.173 2.135 9.329 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.535 3.718 9.730 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -14.284 5.049 7.430 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -16.612 2.882 4.642 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -15.103 4.899 4.963 1.00 0.69 H new ATOM 1224 N GLY A 78 -12.918 0.087 9.193 1.00 0.58 N ATOM 1225 CA GLY A 78 -12.820 -1.356 9.079 1.00 0.72 C ATOM 1226 C GLY A 78 -13.411 -1.878 7.787 1.00 0.76 C ATOM 1227 O GLY A 78 -13.782 -3.047 7.692 1.00 1.31 O ATOM 0 H GLY A 78 -12.032 0.582 9.093 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -11.773 -1.652 9.141 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.332 -1.819 9.922 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.516 -1.001 6.800 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.032 -1.399 5.507 1.00 0.37 C ATOM 1233 C GLY A 79 -12.971 -2.094 4.686 1.00 0.28 C ATOM 1234 O GLY A 79 -11.817 -2.157 5.103 1.00 0.29 O ATOM 0 H GLY A 79 -13.252 -0.018 6.872 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -14.885 -2.064 5.642 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.394 -0.522 4.971 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.340 -2.599 3.526 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.389 -3.311 2.685 1.00 0.21 C ATOM 1240 C TYR A 80 -12.551 -2.922 1.234 1.00 0.22 C ATOM 1241 O TYR A 80 -13.600 -3.123 0.641 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.541 -4.826 2.838 1.00 0.26 C ATOM 1243 CG TYR A 80 -12.089 -5.326 4.185 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.745 -5.333 4.516 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -13.004 -5.767 5.131 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.318 -5.767 5.751 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.588 -6.201 6.373 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.244 -6.201 6.680 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.829 -6.628 7.921 1.00 0.38 O ATOM 0 H TYR A 80 -14.283 -2.533 3.143 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.389 -3.028 3.014 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.585 -5.099 2.686 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -11.965 -5.325 2.059 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -10.019 -4.992 3.793 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -14.057 -5.770 4.891 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.265 -5.768 5.992 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.311 -6.539 7.101 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.608 -6.898 8.451 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.510 -2.355 0.670 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.515 -1.999 -0.734 1.00 0.28 C ATOM 1261 C VAL A 81 -10.514 -2.864 -1.481 1.00 0.26 C ATOM 1262 O VAL A 81 -9.488 -3.242 -0.922 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.204 -0.500 -0.942 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.469 0.325 -0.782 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.144 -0.025 0.046 1.00 0.30 C ATOM 0 H VAL A 81 -10.645 -2.129 1.162 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.514 -2.178 -1.131 1.00 0.28 H new ATOM 0 HB VAL A 81 -10.818 -0.368 -1.953 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.237 1.380 -0.931 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.206 0.008 -1.520 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -12.873 0.180 0.220 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -9.941 1.033 -0.119 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.504 -0.171 1.064 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.228 -0.597 -0.100 1.00 0.30 H new ATOM 1275 N TRP A 82 -10.826 -3.218 -2.715 1.00 0.28 N ATOM 1276 CA TRP A 82 -9.930 -4.056 -3.498 1.00 0.29 C ATOM 1277 C TRP A 82 -8.951 -3.215 -4.302 1.00 0.28 C ATOM 1278 O TRP A 82 -9.350 -2.390 -5.132 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.707 -4.983 -4.421 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.475 -6.047 -3.696 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.691 -5.916 -3.093 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -11.071 -7.405 -3.495 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -13.080 -7.119 -2.552 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -12.101 -8.045 -2.782 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -9.943 -8.147 -3.853 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -12.035 -9.386 -2.425 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.878 -9.477 -3.495 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.919 -10.085 -2.788 1.00 0.52 C ATOM 0 H TRP A 82 -11.683 -2.943 -3.194 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.363 -4.667 -2.796 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.400 -4.390 -5.018 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -10.013 -5.457 -5.115 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.264 -5.002 -3.047 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -13.956 -7.292 -2.059 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -9.135 -7.686 -4.401 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.838 -9.859 -1.880 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -9.009 -10.058 -3.765 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.839 -11.129 -2.523 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.670 -3.440 -4.053 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.618 -2.646 -4.670 1.00 0.28 C ATOM 1301 C LEU A 83 -5.528 -3.514 -5.275 1.00 0.29 C ATOM 1302 O LEU A 83 -5.258 -4.605 -4.786 1.00 0.36 O ATOM 1303 CB LEU A 83 -5.963 -1.715 -3.639 1.00 0.28 C ATOM 1304 CG LEU A 83 -6.835 -0.625 -3.015 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.546 -1.146 -1.789 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -5.985 0.583 -2.655 1.00 0.40 C ATOM 0 H LEU A 83 -7.333 -4.169 -3.425 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.096 -2.067 -5.460 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.568 -2.332 -2.832 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.111 -1.231 -4.117 1.00 0.28 H new ATOM 0 HG LEU A 83 -7.586 -0.325 -3.746 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.161 -0.354 -1.361 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.180 -1.988 -2.066 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -6.811 -1.472 -1.053 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -6.616 1.353 -2.211 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.217 0.287 -1.940 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -5.512 0.976 -3.555 1.00 0.40 H new ATOM 1318 N GLU A 84 -4.909 -3.005 -6.336 1.00 0.32 N ATOM 1319 CA GLU A 84 -3.695 -3.594 -6.885 1.00 0.34 C ATOM 1320 C GLU A 84 -2.545 -2.631 -6.647 1.00 0.35 C ATOM 1321 O GLU A 84 -2.716 -1.421 -6.767 1.00 0.39 O ATOM 1322 CB GLU A 84 -3.824 -3.869 -8.387 1.00 0.41 C ATOM 1323 CG GLU A 84 -4.869 -4.912 -8.734 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.815 -5.337 -10.187 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -5.275 -4.564 -11.052 1.00 0.88 O ATOM 1326 OE2 GLU A 84 -4.306 -6.438 -10.478 1.00 1.23 O ATOM 0 H GLU A 84 -5.234 -2.177 -6.836 1.00 0.32 H new ATOM 0 HA GLU A 84 -3.517 -4.548 -6.389 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -4.071 -2.938 -8.897 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -2.858 -4.196 -8.771 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -4.728 -5.787 -8.099 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -5.860 -4.515 -8.513 1.00 0.59 H new ATOM 1333 N THR A 85 -1.388 -3.150 -6.294 1.00 0.36 N ATOM 1334 CA THR A 85 -0.243 -2.299 -6.042 1.00 0.37 C ATOM 1335 C THR A 85 0.928 -2.663 -6.925 1.00 0.32 C ATOM 1336 O THR A 85 1.439 -3.789 -6.898 1.00 0.43 O ATOM 1337 CB THR A 85 0.176 -2.349 -4.560 1.00 0.52 C ATOM 1338 OG1 THR A 85 -0.910 -1.907 -3.740 1.00 0.68 O ATOM 1339 CG2 THR A 85 1.396 -1.476 -4.300 1.00 0.60 C ATOM 0 H THR A 85 -1.215 -4.148 -6.176 1.00 0.36 H new ATOM 0 HA THR A 85 -0.547 -1.280 -6.283 1.00 0.37 H new ATOM 0 HB THR A 85 0.435 -3.379 -4.315 1.00 0.52 H new ATOM 0 HG1 THR A 85 -0.789 -0.960 -3.520 1.00 0.68 H new ATOM 0 HG21 THR A 85 1.666 -1.533 -3.246 1.00 0.60 H new ATOM 0 HG22 THR A 85 2.230 -1.826 -4.908 1.00 0.60 H new ATOM 0 HG23 THR A 85 1.166 -0.443 -4.560 1.00 0.60 H new ATOM 1347 N GLN A 86 1.338 -1.695 -7.714 1.00 0.29 N ATOM 1348 CA GLN A 86 2.556 -1.801 -8.467 1.00 0.35 C ATOM 1349 C GLN A 86 3.707 -1.423 -7.549 1.00 0.28 C ATOM 1350 O GLN A 86 3.821 -0.271 -7.124 1.00 0.30 O ATOM 1351 CB GLN A 86 2.520 -0.876 -9.680 1.00 0.50 C ATOM 1352 CG GLN A 86 3.815 -0.897 -10.454 1.00 0.70 C ATOM 1353 CD GLN A 86 3.913 0.207 -11.488 1.00 1.06 C ATOM 1354 OE1 GLN A 86 3.496 0.044 -12.636 1.00 1.95 O ATOM 1355 NE2 GLN A 86 4.481 1.335 -11.095 1.00 1.15 N ATOM 0 H GLN A 86 0.835 -0.818 -7.848 1.00 0.29 H new ATOM 0 HA GLN A 86 2.682 -2.820 -8.833 1.00 0.35 H new ATOM 0 HB2 GLN A 86 1.702 -1.173 -10.336 1.00 0.50 H new ATOM 0 HB3 GLN A 86 2.312 0.142 -9.352 1.00 0.50 H new ATOM 0 HG2 GLN A 86 4.648 -0.808 -9.757 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.917 -1.861 -10.951 1.00 0.70 H new ATOM 0 HE21 GLN A 86 4.814 1.431 -10.136 1.00 1.15 H new ATOM 0 HE22 GLN A 86 4.586 2.109 -11.751 1.00 1.15 H new ATOM 1364 N GLY A 87 4.533 -2.398 -7.226 1.00 0.27 N ATOM 1365 CA GLY A 87 5.566 -2.193 -6.243 1.00 0.26 C ATOM 1366 C GLY A 87 6.935 -2.043 -6.858 1.00 0.24 C ATOM 1367 O GLY A 87 7.216 -2.575 -7.932 1.00 0.27 O ATOM 0 H GLY A 87 4.506 -3.334 -7.630 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.335 -1.302 -5.660 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.574 -3.034 -5.550 1.00 0.26 H new ATOM 1371 N THR A 88 7.776 -1.311 -6.169 1.00 0.23 N ATOM 1372 CA THR A 88 9.139 -1.057 -6.606 1.00 0.22 C ATOM 1373 C THR A 88 10.024 -0.787 -5.391 1.00 0.25 C ATOM 1374 O THR A 88 9.593 -0.128 -4.449 1.00 0.36 O ATOM 1375 CB THR A 88 9.196 0.148 -7.574 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.213 -0.005 -8.609 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.573 0.279 -8.210 1.00 0.24 C ATOM 0 H THR A 88 7.538 -0.869 -5.281 1.00 0.23 H new ATOM 0 HA THR A 88 9.501 -1.938 -7.136 1.00 0.22 H new ATOM 0 HB THR A 88 8.990 1.049 -6.996 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.255 0.763 -9.216 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.582 1.135 -8.885 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.321 0.424 -7.431 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.803 -0.627 -8.770 1.00 0.24 H new ATOM 1385 N VAL A 89 11.235 -1.320 -5.384 1.00 0.28 N ATOM 1386 CA VAL A 89 12.176 -1.007 -4.319 1.00 0.31 C ATOM 1387 C VAL A 89 13.203 0.002 -4.790 1.00 0.30 C ATOM 1388 O VAL A 89 13.988 -0.261 -5.701 1.00 0.34 O ATOM 1389 CB VAL A 89 12.908 -2.254 -3.770 1.00 0.42 C ATOM 1390 CG1 VAL A 89 14.011 -1.852 -2.802 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.936 -3.181 -3.074 1.00 0.56 C ATOM 0 H VAL A 89 11.587 -1.963 -6.093 1.00 0.28 H new ATOM 0 HA VAL A 89 11.581 -0.588 -3.508 1.00 0.31 H new ATOM 0 HB VAL A 89 13.354 -2.776 -4.616 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.511 -2.746 -2.429 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.734 -1.219 -3.317 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.579 -1.303 -1.966 1.00 0.36 H new ATOM 0 HG21 VAL A 89 12.471 -4.052 -2.695 1.00 0.56 H new ATOM 0 HG22 VAL A 89 11.464 -2.656 -2.244 1.00 0.56 H new ATOM 0 HG23 VAL A 89 11.172 -3.504 -3.781 1.00 0.56 H new ATOM 1401 N ILE A 90 13.172 1.165 -4.176 1.00 0.27 N ATOM 1402 CA ILE A 90 14.174 2.165 -4.427 1.00 0.30 C ATOM 1403 C ILE A 90 15.318 1.933 -3.451 1.00 0.34 C ATOM 1404 O ILE A 90 15.180 2.111 -2.244 1.00 0.41 O ATOM 1405 CB ILE A 90 13.585 3.591 -4.322 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.586 4.632 -4.802 1.00 0.71 C ATOM 1407 CG2 ILE A 90 13.138 3.915 -2.915 1.00 0.73 C ATOM 1408 CD1 ILE A 90 13.977 6.002 -4.957 1.00 0.78 C ATOM 0 H ILE A 90 12.460 1.437 -3.498 1.00 0.27 H new ATOM 0 HA ILE A 90 14.550 2.080 -5.447 1.00 0.30 H new ATOM 0 HB ILE A 90 12.708 3.619 -4.969 1.00 0.32 H new ATOM 0 HG12 ILE A 90 15.414 4.686 -4.095 1.00 0.71 H new ATOM 0 HG13 ILE A 90 15.003 4.315 -5.758 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.731 4.926 -2.886 1.00 0.73 H new ATOM 0 HG22 ILE A 90 12.371 3.206 -2.605 1.00 0.73 H new ATOM 0 HG23 ILE A 90 13.990 3.848 -2.238 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.738 6.702 -5.302 1.00 0.78 H new ATOM 0 HD12 ILE A 90 13.167 5.960 -5.685 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.585 6.337 -3.997 1.00 0.78 H new ATOM 1420 N TYR A 91 16.415 1.417 -3.965 1.00 0.36 N ATOM 1421 CA TYR A 91 17.517 1.022 -3.114 1.00 0.42 C ATOM 1422 C TYR A 91 18.406 2.193 -2.719 1.00 0.48 C ATOM 1423 O TYR A 91 18.474 3.212 -3.404 1.00 0.58 O ATOM 1424 CB TYR A 91 18.376 -0.038 -3.772 1.00 0.51 C ATOM 1425 CG TYR A 91 17.668 -1.328 -4.128 1.00 0.43 C ATOM 1426 CD1 TYR A 91 16.991 -1.454 -5.335 1.00 0.45 C ATOM 1427 CD2 TYR A 91 17.649 -2.407 -3.253 1.00 0.55 C ATOM 1428 CE1 TYR A 91 16.319 -2.616 -5.663 1.00 0.61 C ATOM 1429 CE2 TYR A 91 16.973 -3.572 -3.570 1.00 0.76 C ATOM 1430 CZ TYR A 91 16.423 -3.730 -4.789 1.00 0.79 C ATOM 1431 OH TYR A 91 15.629 -4.827 -5.095 1.00 1.06 O ATOM 0 H TYR A 91 16.567 1.262 -4.962 1.00 0.36 H new ATOM 0 HA TYR A 91 17.057 0.618 -2.213 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.806 0.382 -4.681 1.00 0.51 H new ATOM 0 HB3 TYR A 91 19.206 -0.272 -3.105 1.00 0.51 H new ATOM 0 HD1 TYR A 91 16.990 -0.628 -6.030 1.00 0.45 H new ATOM 0 HD2 TYR A 91 18.170 -2.335 -2.310 1.00 0.55 H new ATOM 0 HE1 TYR A 91 15.727 -2.675 -6.565 1.00 0.61 H new ATOM 0 HE2 TYR A 91 16.886 -4.359 -2.836 1.00 0.76 H new ATOM 0 HH TYR A 91 15.362 -5.278 -4.267 1.00 1.06 H new ATOM 1441 N ASN A 92 19.070 2.015 -1.585 1.00 0.57 N ATOM 1442 CA ASN A 92 20.019 2.989 -1.056 1.00 0.71 C ATOM 1443 C ASN A 92 21.250 3.055 -1.951 1.00 0.69 C ATOM 1444 O ASN A 92 21.785 2.032 -2.314 1.00 0.63 O ATOM 1445 CB ASN A 92 20.451 2.555 0.342 1.00 0.83 C ATOM 1446 CG ASN A 92 20.941 3.716 1.184 1.00 1.09 C ATOM 1447 OD1 ASN A 92 20.495 4.846 1.018 1.00 1.77 O ATOM 1448 ND2 ASN A 92 21.862 3.447 2.092 1.00 1.50 N ATOM 0 H ASN A 92 18.966 1.185 -1.001 1.00 0.57 H new ATOM 0 HA ASN A 92 19.544 3.969 -1.019 1.00 0.71 H new ATOM 0 HB2 ASN A 92 19.612 2.074 0.845 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.243 1.810 0.259 1.00 0.83 H new ATOM 0 HD21 ASN A 92 22.227 4.193 2.685 1.00 1.50 H new ATOM 0 HD22 ASN A 92 22.208 2.494 2.200 1.00 1.50 H new ATOM 1455 N PRO A 93 21.738 4.237 -2.312 1.00 0.84 N ATOM 1456 CA PRO A 93 22.904 4.338 -3.195 1.00 0.91 C ATOM 1457 C PRO A 93 24.188 3.764 -2.594 1.00 0.96 C ATOM 1458 O PRO A 93 25.000 3.177 -3.308 1.00 1.00 O ATOM 1459 CB PRO A 93 23.051 5.832 -3.434 1.00 1.13 C ATOM 1460 CG PRO A 93 22.299 6.496 -2.330 1.00 1.23 C ATOM 1461 CD PRO A 93 21.194 5.553 -1.946 1.00 1.00 C ATOM 0 HA PRO A 93 22.751 3.754 -4.103 1.00 0.91 H new ATOM 0 HB2 PRO A 93 24.100 6.128 -3.426 1.00 1.13 H new ATOM 0 HB3 PRO A 93 22.648 6.114 -4.407 1.00 1.13 H new ATOM 0 HG2 PRO A 93 22.952 6.696 -1.480 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.896 7.455 -2.656 1.00 1.23 H new ATOM 0 HD2 PRO A 93 20.964 5.613 -0.882 1.00 1.00 H new ATOM 0 HD3 PRO A 93 20.272 5.772 -2.484 1.00 1.00 H new ATOM 1469 N ARG A 94 24.374 3.929 -1.291 1.00 1.03 N ATOM 1470 CA ARG A 94 25.598 3.456 -0.646 1.00 1.13 C ATOM 1471 C ARG A 94 25.491 2.002 -0.209 1.00 1.04 C ATOM 1472 O ARG A 94 26.445 1.236 -0.325 1.00 1.16 O ATOM 1473 CB ARG A 94 25.946 4.314 0.565 1.00 1.37 C ATOM 1474 CG ARG A 94 26.354 5.732 0.221 1.00 1.93 C ATOM 1475 CD ARG A 94 26.962 6.423 1.426 1.00 2.43 C ATOM 1476 NE ARG A 94 28.160 5.727 1.907 1.00 3.09 N ATOM 1477 CZ ARG A 94 29.340 6.313 2.096 1.00 3.87 C ATOM 1478 NH1 ARG A 94 29.491 7.606 1.833 1.00 4.14 N ATOM 1479 NH2 ARG A 94 30.370 5.602 2.544 1.00 4.77 N ATOM 0 H ARG A 94 23.706 4.379 -0.665 1.00 1.03 H new ATOM 0 HA ARG A 94 26.389 3.536 -1.392 1.00 1.13 H new ATOM 0 HB2 ARG A 94 25.085 4.347 1.233 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.758 3.837 1.114 1.00 1.37 H new ATOM 0 HG2 ARG A 94 27.073 5.720 -0.598 1.00 1.93 H new ATOM 0 HG3 ARG A 94 25.485 6.292 -0.125 1.00 1.93 H new ATOM 0 HD2 ARG A 94 27.219 7.450 1.165 1.00 2.43 H new ATOM 0 HD3 ARG A 94 26.224 6.473 2.227 1.00 2.43 H new ATOM 0 HE ARG A 94 28.084 4.730 2.110 1.00 3.09 H new ATOM 0 HH11 ARG A 94 28.702 8.151 1.486 1.00 4.14 H new ATOM 0 HH12 ARG A 94 30.396 8.054 1.978 1.00 4.14 H new ATOM 0 HH21 ARG A 94 30.256 4.608 2.743 1.00 4.77 H new ATOM 0 HH22 ARG A 94 31.275 6.050 2.689 1.00 4.77 H new ATOM 1493 N ASN A 95 24.328 1.618 0.286 1.00 0.99 N ATOM 1494 CA ASN A 95 24.164 0.297 0.894 1.00 1.00 C ATOM 1495 C ASN A 95 23.326 -0.614 0.011 1.00 0.85 C ATOM 1496 O ASN A 95 23.362 -1.835 0.147 1.00 0.92 O ATOM 1497 CB ASN A 95 23.500 0.424 2.266 1.00 1.15 C ATOM 1498 CG ASN A 95 24.372 1.127 3.286 1.00 1.58 C ATOM 1499 OD1 ASN A 95 24.375 2.356 3.380 1.00 2.23 O ATOM 1500 ND2 ASN A 95 25.099 0.352 4.072 1.00 1.99 N ATOM 0 H ASN A 95 23.485 2.193 0.282 1.00 0.99 H new ATOM 0 HA ASN A 95 25.155 -0.142 1.007 1.00 1.00 H new ATOM 0 HB2 ASN A 95 22.563 0.970 2.160 1.00 1.15 H new ATOM 0 HB3 ASN A 95 23.249 -0.571 2.635 1.00 1.15 H new ATOM 0 HD21 ASN A 95 25.692 0.767 4.790 1.00 1.99 H new ATOM 0 HD22 ASN A 95 25.067 -0.661 3.960 1.00 1.99 H new ATOM 1507 N LEU A 96 22.582 0.007 -0.893 1.00 0.72 N ATOM 1508 CA LEU A 96 21.622 -0.675 -1.760 1.00 0.63 C ATOM 1509 C LEU A 96 20.728 -1.662 -1.021 1.00 0.64 C ATOM 1510 O LEU A 96 20.295 -2.672 -1.578 1.00 0.67 O ATOM 1511 CB LEU A 96 22.330 -1.339 -2.934 1.00 0.74 C ATOM 1512 CG LEU A 96 22.917 -0.365 -3.960 1.00 0.86 C ATOM 1513 CD1 LEU A 96 23.864 -1.072 -4.912 1.00 1.22 C ATOM 1514 CD2 LEU A 96 21.803 0.309 -4.744 1.00 1.76 C ATOM 0 H LEU A 96 22.626 1.014 -1.050 1.00 0.72 H new ATOM 0 HA LEU A 96 20.955 0.096 -2.144 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.133 -1.967 -2.549 1.00 0.74 H new ATOM 0 HB3 LEU A 96 21.625 -1.998 -3.441 1.00 0.74 H new ATOM 0 HG LEU A 96 23.483 0.392 -3.416 1.00 0.86 H new ATOM 0 HD11 LEU A 96 24.264 -0.354 -5.628 1.00 1.22 H new ATOM 0 HD12 LEU A 96 24.684 -1.516 -4.347 1.00 1.22 H new ATOM 0 HD13 LEU A 96 23.326 -1.855 -5.446 1.00 1.22 H new ATOM 0 HD21 LEU A 96 22.234 0.999 -5.470 1.00 1.76 H new ATOM 0 HD22 LEU A 96 21.217 -0.447 -5.266 1.00 1.76 H new ATOM 0 HD23 LEU A 96 21.158 0.860 -4.059 1.00 1.76 H new ATOM 1526 N GLN A 97 20.456 -1.346 0.230 1.00 0.71 N ATOM 1527 CA GLN A 97 19.360 -1.945 0.971 1.00 0.76 C ATOM 1528 C GLN A 97 18.067 -1.275 0.507 1.00 0.64 C ATOM 1529 O GLN A 97 18.126 -0.345 -0.303 1.00 0.61 O ATOM 1530 CB GLN A 97 19.577 -1.693 2.461 1.00 0.94 C ATOM 1531 CG GLN A 97 19.964 -0.254 2.740 1.00 1.21 C ATOM 1532 CD GLN A 97 19.693 0.183 4.154 1.00 2.02 C ATOM 1533 OE1 GLN A 97 19.744 -0.611 5.096 1.00 2.29 O ATOM 1534 NE2 GLN A 97 19.403 1.459 4.301 1.00 2.81 N ATOM 0 H GLN A 97 20.992 -0.663 0.765 1.00 0.71 H new ATOM 0 HA GLN A 97 19.306 -3.020 0.799 1.00 0.76 H new ATOM 0 HB2 GLN A 97 18.665 -1.936 3.007 1.00 0.94 H new ATOM 0 HB3 GLN A 97 20.358 -2.357 2.832 1.00 0.94 H new ATOM 0 HG2 GLN A 97 21.025 -0.125 2.526 1.00 1.21 H new ATOM 0 HG3 GLN A 97 19.420 0.398 2.057 1.00 1.21 H new ATOM 0 HE21 GLN A 97 19.374 2.073 3.487 1.00 2.81 H new ATOM 0 HE22 GLN A 97 19.207 1.834 5.229 1.00 2.81 H new ATOM 1543 N PRO A 98 16.889 -1.696 0.995 1.00 0.62 N ATOM 1544 CA PRO A 98 15.655 -0.996 0.673 1.00 0.55 C ATOM 1545 C PRO A 98 15.664 0.417 1.249 1.00 0.55 C ATOM 1546 O PRO A 98 15.414 0.608 2.438 1.00 0.62 O ATOM 1547 CB PRO A 98 14.541 -1.823 1.323 1.00 0.60 C ATOM 1548 CG PRO A 98 15.175 -3.075 1.836 1.00 0.62 C ATOM 1549 CD PRO A 98 16.667 -2.855 1.876 1.00 0.72 C ATOM 0 HA PRO A 98 15.521 -0.896 -0.404 1.00 0.55 H new ATOM 0 HB2 PRO A 98 14.071 -1.268 2.134 1.00 0.60 H new ATOM 0 HB3 PRO A 98 13.759 -2.054 0.600 1.00 0.60 H new ATOM 0 HG2 PRO A 98 14.798 -3.314 2.830 1.00 0.62 H new ATOM 0 HG3 PRO A 98 14.931 -3.919 1.191 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.012 -2.655 2.890 1.00 0.72 H new ATOM 0 HD3 PRO A 98 17.208 -3.733 1.522 1.00 0.72 H new ATOM 1557 N GLN A 99 15.984 1.400 0.412 1.00 0.51 N ATOM 1558 CA GLN A 99 15.988 2.787 0.845 1.00 0.54 C ATOM 1559 C GLN A 99 14.564 3.193 1.127 1.00 0.50 C ATOM 1560 O GLN A 99 14.261 3.788 2.159 1.00 0.57 O ATOM 1561 CB GLN A 99 16.615 3.687 -0.232 1.00 0.56 C ATOM 1562 CG GLN A 99 16.035 5.097 -0.313 1.00 0.72 C ATOM 1563 CD GLN A 99 16.549 6.042 0.767 1.00 0.97 C ATOM 1564 OE1 GLN A 99 16.643 7.252 0.553 1.00 1.73 O ATOM 1565 NE2 GLN A 99 16.874 5.508 1.936 1.00 1.32 N ATOM 0 H GLN A 99 16.242 1.259 -0.565 1.00 0.51 H new ATOM 0 HA GLN A 99 16.588 2.898 1.748 1.00 0.54 H new ATOM 0 HB2 GLN A 99 17.686 3.761 -0.043 1.00 0.56 H new ATOM 0 HB3 GLN A 99 16.495 3.205 -1.202 1.00 0.56 H new ATOM 0 HG2 GLN A 99 16.267 5.519 -1.291 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.949 5.037 -0.242 1.00 0.72 H new ATOM 0 HE21 GLN A 99 16.784 4.502 2.080 1.00 1.32 H new ATOM 0 HE22 GLN A 99 17.214 6.103 2.692 1.00 1.32 H new ATOM 1574 N CYS A 100 13.694 2.814 0.209 1.00 0.43 N ATOM 1575 CA CYS A 100 12.270 3.058 0.343 1.00 0.41 C ATOM 1576 C CYS A 100 11.499 2.115 -0.567 1.00 0.35 C ATOM 1577 O CYS A 100 12.080 1.409 -1.394 1.00 0.39 O ATOM 1578 CB CYS A 100 11.904 4.510 0.002 1.00 0.45 C ATOM 1579 SG CYS A 100 12.481 5.749 1.188 1.00 0.64 S ATOM 0 H CYS A 100 13.954 2.329 -0.650 1.00 0.43 H new ATOM 0 HA CYS A 100 12.001 2.879 1.384 1.00 0.41 H new ATOM 0 HB2 CYS A 100 12.314 4.750 -0.979 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.820 4.585 -0.079 1.00 0.45 H new ATOM 0 HG CYS A 100 13.381 5.221 1.963 1.00 0.64 H new ATOM 1585 N ILE A 101 10.197 2.098 -0.398 1.00 0.29 N ATOM 1586 CA ILE A 101 9.327 1.289 -1.217 1.00 0.27 C ATOM 1587 C ILE A 101 8.358 2.183 -1.981 1.00 0.23 C ATOM 1588 O ILE A 101 7.698 3.042 -1.393 1.00 0.28 O ATOM 1589 CB ILE A 101 8.547 0.291 -0.343 1.00 0.35 C ATOM 1590 CG1 ILE A 101 9.531 -0.533 0.492 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.676 -0.612 -1.206 1.00 0.37 C ATOM 1592 CD1 ILE A 101 8.879 -1.322 1.601 1.00 0.73 C ATOM 0 H ILE A 101 9.712 2.646 0.312 1.00 0.29 H new ATOM 0 HA ILE A 101 9.933 0.729 -1.929 1.00 0.27 H new ATOM 0 HB ILE A 101 7.888 0.841 0.329 1.00 0.35 H new ATOM 0 HG12 ILE A 101 10.064 -1.220 -0.165 1.00 0.66 H new ATOM 0 HG13 ILE A 101 10.275 0.136 0.924 1.00 0.66 H new ATOM 0 HG21 ILE A 101 7.133 -1.310 -0.569 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.966 -0.004 -1.767 1.00 0.37 H new ATOM 0 HG23 ILE A 101 8.305 -1.169 -1.901 1.00 0.37 H new ATOM 0 HD11 ILE A 101 9.640 -1.879 2.147 1.00 0.73 H new ATOM 0 HD12 ILE A 101 8.370 -0.640 2.282 1.00 0.73 H new ATOM 0 HD13 ILE A 101 8.155 -2.017 1.176 1.00 0.73 H new ATOM 1604 N MET A 102 8.285 1.968 -3.282 1.00 0.22 N ATOM 1605 CA MET A 102 7.456 2.765 -4.170 1.00 0.23 C ATOM 1606 C MET A 102 6.165 2.021 -4.460 1.00 0.22 C ATOM 1607 O MET A 102 6.190 0.981 -5.118 1.00 0.24 O ATOM 1608 CB MET A 102 8.204 3.018 -5.482 1.00 0.30 C ATOM 1609 CG MET A 102 8.492 4.479 -5.757 1.00 0.69 C ATOM 1610 SD MET A 102 6.988 5.443 -6.002 1.00 1.47 S ATOM 1611 CE MET A 102 6.365 4.706 -7.514 1.00 1.81 C ATOM 0 H MET A 102 8.804 1.229 -3.757 1.00 0.22 H new ATOM 0 HA MET A 102 7.228 3.718 -3.693 1.00 0.23 H new ATOM 0 HB2 MET A 102 9.146 2.470 -5.462 1.00 0.30 H new ATOM 0 HB3 MET A 102 7.617 2.613 -6.306 1.00 0.30 H new ATOM 0 HG2 MET A 102 9.057 4.898 -4.924 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.121 4.562 -6.643 1.00 0.69 H new ATOM 0 HE1 MET A 102 6.060 5.493 -8.204 1.00 1.81 H new ATOM 0 HE2 MET A 102 7.148 4.103 -7.974 1.00 1.81 H new ATOM 0 HE3 MET A 102 5.508 4.073 -7.284 1.00 1.81 H new ATOM 1621 N CYS A 103 5.043 2.506 -3.947 1.00 0.25 N ATOM 1622 CA CYS A 103 3.778 1.831 -4.178 1.00 0.26 C ATOM 1623 C CYS A 103 2.837 2.670 -5.023 1.00 0.27 C ATOM 1624 O CYS A 103 2.448 3.773 -4.635 1.00 0.32 O ATOM 1625 CB CYS A 103 3.104 1.500 -2.848 1.00 0.31 C ATOM 1626 SG CYS A 103 4.139 0.529 -1.734 1.00 0.39 S ATOM 0 H CYS A 103 4.984 3.350 -3.378 1.00 0.25 H new ATOM 0 HA CYS A 103 3.996 0.912 -4.721 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.823 2.429 -2.352 1.00 0.31 H new ATOM 0 HB3 CYS A 103 2.182 0.952 -3.044 1.00 0.31 H new ATOM 0 HG CYS A 103 5.216 1.198 -1.449 1.00 0.39 H new ATOM 1632 N VAL A 104 2.488 2.150 -6.186 1.00 0.27 N ATOM 1633 CA VAL A 104 1.415 2.721 -6.976 1.00 0.28 C ATOM 1634 C VAL A 104 0.159 1.899 -6.730 1.00 0.29 C ATOM 1635 O VAL A 104 0.111 0.718 -7.071 1.00 0.29 O ATOM 1636 CB VAL A 104 1.742 2.725 -8.485 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.671 3.473 -9.262 1.00 0.35 C ATOM 1638 CG2 VAL A 104 3.110 3.335 -8.739 1.00 0.34 C ATOM 0 H VAL A 104 2.933 1.333 -6.604 1.00 0.27 H new ATOM 0 HA VAL A 104 1.274 3.759 -6.675 1.00 0.28 H new ATOM 0 HB VAL A 104 1.760 1.692 -8.832 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.919 3.465 -10.323 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.293 2.988 -9.111 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.618 4.503 -8.910 1.00 0.35 H new ATOM 0 HG21 VAL A 104 3.319 3.327 -9.809 1.00 0.34 H new ATOM 0 HG22 VAL A 104 3.124 4.362 -8.374 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.870 2.754 -8.217 1.00 0.34 H new ATOM 1648 N ASN A 105 -0.845 2.514 -6.135 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.017 1.773 -5.689 1.00 0.30 C ATOM 1650 C ASN A 105 -3.214 2.059 -6.572 1.00 0.27 C ATOM 1651 O ASN A 105 -3.433 3.198 -6.986 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.347 2.106 -4.235 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.184 1.836 -3.300 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -1.009 0.722 -2.811 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -0.377 2.857 -3.046 1.00 0.63 N ATOM 0 H ASN A 105 -0.877 3.516 -5.949 1.00 0.29 H new ATOM 0 HA ASN A 105 -1.783 0.711 -5.762 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -2.632 3.155 -4.162 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.208 1.519 -3.917 1.00 0.33 H new ATOM 0 HD21 ASN A 105 0.423 2.733 -2.425 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -0.556 3.767 -3.471 1.00 0.63 H new ATOM 1662 N TYR A 106 -3.993 1.025 -6.838 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.135 1.122 -7.729 1.00 0.24 C ATOM 1664 C TYR A 106 -6.398 0.662 -7.015 1.00 0.25 C ATOM 1665 O TYR A 106 -6.633 -0.535 -6.866 1.00 0.26 O ATOM 1666 CB TYR A 106 -4.916 0.267 -8.986 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.716 0.671 -9.810 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -3.831 1.615 -10.823 1.00 0.35 C ATOM 1669 CD2 TYR A 106 -2.470 0.111 -9.574 1.00 0.31 C ATOM 1670 CE1 TYR A 106 -2.736 1.988 -11.578 1.00 0.40 C ATOM 1671 CE2 TYR A 106 -1.371 0.478 -10.324 1.00 0.35 C ATOM 1672 CZ TYR A 106 -1.511 1.410 -11.330 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.411 1.778 -12.074 1.00 0.48 O ATOM 0 H TYR A 106 -3.852 0.095 -6.443 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.247 2.165 -8.027 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -4.803 -0.775 -8.687 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.807 0.325 -9.611 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -4.792 2.065 -11.023 1.00 0.35 H new ATOM 0 HD2 TYR A 106 -2.357 -0.624 -8.791 1.00 0.31 H new ATOM 0 HE1 TYR A 106 -2.840 2.728 -12.358 1.00 0.40 H new ATOM 0 HE2 TYR A 106 -0.406 0.037 -10.124 1.00 0.35 H new ATOM 0 HH TYR A 106 0.373 1.276 -11.769 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.182 1.617 -6.543 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.472 1.314 -5.938 1.00 0.28 C ATOM 1685 C VAL A 107 -9.466 0.979 -7.039 1.00 0.33 C ATOM 1686 O VAL A 107 -9.957 1.869 -7.739 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.015 2.488 -5.100 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.346 2.125 -4.452 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.002 2.898 -4.050 1.00 0.62 C ATOM 0 H VAL A 107 -6.949 2.610 -6.566 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.336 0.467 -5.265 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.186 3.334 -5.766 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -10.708 2.970 -3.866 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.073 1.882 -5.227 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.210 1.263 -3.799 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.399 3.728 -3.466 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -7.800 2.054 -3.390 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.077 3.207 -4.538 1.00 0.62 H new ATOM 1699 N LEU A 108 -9.737 -0.302 -7.201 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.541 -0.781 -8.313 1.00 0.39 C ATOM 1701 C LEU A 108 -11.987 -0.977 -7.894 1.00 0.44 C ATOM 1702 O LEU A 108 -12.881 -0.261 -8.344 1.00 0.60 O ATOM 1703 CB LEU A 108 -9.972 -2.100 -8.826 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.471 -2.080 -9.101 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -7.800 -3.265 -8.444 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.196 -2.079 -10.595 1.00 0.48 C ATOM 0 H LEU A 108 -9.410 -1.036 -6.572 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.511 -0.034 -9.106 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -10.184 -2.881 -8.095 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.493 -2.373 -9.744 1.00 0.44 H new ATOM 0 HG LEU A 108 -8.059 -1.164 -8.677 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -6.730 -3.237 -8.649 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -7.964 -3.225 -7.367 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -8.222 -4.188 -8.841 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.120 -2.065 -10.767 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -8.623 -2.976 -11.044 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -8.647 -1.196 -11.047 1.00 0.48 H new ATOM 1718 N SER A 109 -12.211 -1.952 -7.030 1.00 0.44 N ATOM 1719 CA SER A 109 -13.546 -2.269 -6.572 1.00 0.54 C ATOM 1720 C SER A 109 -13.936 -1.370 -5.405 1.00 0.64 C ATOM 1721 O SER A 109 -13.084 -0.724 -4.792 1.00 0.93 O ATOM 1722 CB SER A 109 -13.604 -3.737 -6.157 1.00 0.64 C ATOM 1723 OG SER A 109 -12.994 -4.561 -7.137 1.00 1.46 O ATOM 0 H SER A 109 -11.478 -2.539 -6.631 1.00 0.44 H new ATOM 0 HA SER A 109 -14.254 -2.097 -7.383 1.00 0.54 H new ATOM 0 HB2 SER A 109 -13.100 -3.869 -5.199 1.00 0.64 H new ATOM 0 HB3 SER A 109 -14.642 -4.039 -6.016 1.00 0.64 H new ATOM 0 HG SER A 109 -13.040 -5.497 -6.852 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.221 -1.346 -5.101 1.00 0.62 N ATOM 1730 CA GLU A 110 -15.751 -0.509 -4.038 1.00 0.74 C ATOM 1731 C GLU A 110 -15.606 -1.191 -2.678 1.00 0.59 C ATOM 1732 O GLU A 110 -14.880 -2.177 -2.543 1.00 0.55 O ATOM 1733 CB GLU A 110 -17.213 -0.185 -4.339 1.00 1.07 C ATOM 1734 CG GLU A 110 -18.011 -1.400 -4.781 1.00 1.46 C ATOM 1735 CD GLU A 110 -19.371 -1.045 -5.334 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -19.431 -0.361 -6.378 1.00 2.41 O ATOM 1737 OE2 GLU A 110 -20.386 -1.428 -4.715 1.00 2.94 O ATOM 0 H GLU A 110 -15.926 -1.905 -5.582 1.00 0.62 H new ATOM 0 HA GLU A 110 -15.181 0.419 -3.994 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -17.675 0.243 -3.449 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -17.258 0.576 -5.118 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -17.447 -1.942 -5.540 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -18.134 -2.074 -3.934 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.298 -0.666 -1.679 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.152 -1.144 -0.313 1.00 0.59 C ATOM 1746 C ILE A 111 -16.896 -2.449 -0.089 1.00 0.58 C ATOM 1747 O ILE A 111 -18.124 -2.512 -0.141 1.00 0.68 O ATOM 1748 CB ILE A 111 -16.639 -0.093 0.707 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -15.945 1.249 0.457 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -16.377 -0.569 2.131 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -16.403 2.360 1.378 1.00 0.89 C ATOM 0 H ILE A 111 -16.969 0.094 -1.789 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.087 -1.321 -0.159 1.00 0.59 H new ATOM 0 HB ILE A 111 -17.713 0.041 0.581 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -14.869 1.117 0.571 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -16.121 1.551 -0.575 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -16.727 0.185 2.837 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -16.909 -1.504 2.306 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -15.308 -0.728 2.270 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -15.865 3.277 1.138 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -17.473 2.522 1.248 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.201 2.082 2.412 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.115 -3.477 0.149 1.00 0.53 N ATOM 1764 CA GLU A 112 -16.609 -4.764 0.569 1.00 0.61 C ATOM 1765 C GLU A 112 -16.740 -4.760 2.085 1.00 0.64 C ATOM 1766 O GLU A 112 -15.880 -4.222 2.785 1.00 0.73 O ATOM 1767 CB GLU A 112 -15.635 -5.851 0.120 1.00 0.68 C ATOM 1768 CG GLU A 112 -15.972 -7.226 0.647 1.00 1.14 C ATOM 1769 CD GLU A 112 -15.073 -8.305 0.085 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -15.112 -8.550 -1.138 1.00 1.64 O ATOM 1771 OE2 GLU A 112 -14.297 -8.897 0.863 1.00 1.56 O ATOM 0 H GLU A 112 -15.100 -3.440 0.054 1.00 0.53 H new ATOM 0 HA GLU A 112 -17.583 -4.964 0.122 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -15.618 -5.884 -0.969 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -14.630 -5.583 0.446 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -15.893 -7.223 1.734 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -17.008 -7.460 0.404 1.00 1.14 H new