USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 796 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 34 GLN :FLIP amide:sc= -2.01! C(o=-3.3!,f=-0.83!) USER MOD Set 1.2: B 52 CYS SG : rot 57:sc= 1.18 USER MOD Set 2.1: A 18 GLN : amide:sc= 0.318 K(o=-0.1,f=-12!) USER MOD Set 2.2: B 18 GLN : amide:sc= -0.418 K(o=-0.1,f=-12!) USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0701) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00126 USER MOD Single : A 10 ASN : amide:sc= 0.118 K(o=0.12,f=-8.8!) USER MOD Single : A 11 MET CE :methyl 142:sc= -0.468 (180deg=-2.19!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0332 USER MOD Single : A 19 THR OG1 : rot 94:sc= 1.06 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0799 USER MOD Single : A 25 LYS NZ :NH3+ -125:sc= -2.15! (180deg=-5.68!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0577 F(o=-1.2,f=-0.058) USER MOD Single : A 38 CYS SG : rot 180:sc= -2.11 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 42 HIS : no HE2:sc= -2.28! C(o=-2.3!,f=-2!) USER MOD Single : A 44 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-2) USER MOD Single : A 49 TYR OH : rot 180:sc= 0.872 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0721 USER MOD Single : A 52 CYS SG : rot -150:sc= -6.89! USER MOD Single : B 6 LYS NZ :NH3+ 145:sc= -0.0774 (180deg=-0.728) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.00274 USER MOD Single : B 10 ASN : amide:sc= 0.289 K(o=0.29,f=-5.8!) USER MOD Single : B 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 SER OG : rot 85:sc= 0.646 USER MOD Single : B 19 THR OG1 : rot 94:sc= 0.81 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0.0748 USER MOD Single : B 25 LYS NZ :NH3+ -113:sc= -4.16! (180deg=-5.97!) USER MOD Single : B 27 ASN : amide:sc= -0.531 K(o=-0.53,f=-2) USER MOD Single : B 34 GLN : amide:sc= -1.67 K(o=-1.7,f=-6.1!) USER MOD Single : B 38 CYS SG : rot 160:sc= -3.78! USER MOD Single : B 40 SER OG : rot 180:sc= 0.0224 USER MOD Single : B 42 HIS :FLIP no HE2:sc= -3.36 F(o=-5.4!,f=-3.4) USER MOD Single : B 44 HIS : no HD1:sc= -0.883 K(o=-0.88,f=-1.6) USER MOD Single : B 49 TYR OH : rot 180:sc= -0.153 USER MOD Single : B 51 SER OG : rot 108:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 73 N GLU A 5 -16.981 1.173 -5.833 1.00 1.21 N ATOM 74 CA GLU A 5 -16.530 0.630 -4.539 1.00 0.96 C ATOM 75 C GLU A 5 -15.974 -0.728 -4.886 1.00 0.95 C ATOM 76 O GLU A 5 -14.913 -1.127 -4.448 1.00 0.82 O ATOM 77 CB GLU A 5 -17.723 0.493 -3.579 1.00 1.13 C ATOM 78 CG GLU A 5 -18.103 1.807 -2.853 1.00 1.56 C ATOM 79 CD GLU A 5 -18.711 2.896 -3.749 1.00 1.97 C ATOM 80 OE1 GLU A 5 -18.794 2.716 -4.946 1.00 2.53 O ATOM 81 OE2 GLU A 5 -19.091 3.899 -3.183 1.00 2.36 O ATOM 0 HA GLU A 5 -15.798 1.268 -4.043 1.00 0.96 H new ATOM 0 HB2 GLU A 5 -18.588 0.137 -4.139 1.00 1.13 H new ATOM 0 HB3 GLU A 5 -17.491 -0.268 -2.834 1.00 1.13 H new ATOM 0 HG2 GLU A 5 -18.813 1.573 -2.060 1.00 1.56 H new ATOM 0 HG3 GLU A 5 -17.211 2.210 -2.373 1.00 1.56 H new ATOM 88 N LYS A 6 -16.730 -1.418 -5.686 1.00 1.22 N ATOM 89 CA LYS A 6 -16.260 -2.758 -6.091 1.00 1.36 C ATOM 90 C LYS A 6 -14.938 -2.588 -6.819 1.00 1.20 C ATOM 91 O LYS A 6 -14.068 -3.432 -6.741 1.00 1.18 O ATOM 92 CB LYS A 6 -17.271 -3.421 -7.038 1.00 1.75 C ATOM 93 CG LYS A 6 -18.634 -3.616 -6.341 1.00 2.49 C ATOM 94 CD LYS A 6 -18.386 -4.369 -5.042 1.00 2.98 C ATOM 95 CE LYS A 6 -19.630 -5.175 -4.651 1.00 3.67 C ATOM 96 NZ LYS A 6 -20.856 -4.342 -4.539 1.00 3.78 N ATOM 0 H LYS A 6 -17.628 -1.120 -6.067 1.00 1.22 H new ATOM 0 HA LYS A 6 -16.146 -3.389 -5.209 1.00 1.36 H new ATOM 0 HB2 LYS A 6 -17.398 -2.806 -7.929 1.00 1.75 H new ATOM 0 HB3 LYS A 6 -16.886 -4.386 -7.369 1.00 1.75 H new ATOM 0 HG2 LYS A 6 -19.103 -2.652 -6.141 1.00 2.49 H new ATOM 0 HG3 LYS A 6 -19.315 -4.175 -6.983 1.00 2.49 H new ATOM 0 HD2 LYS A 6 -17.533 -5.037 -5.158 1.00 2.98 H new ATOM 0 HD3 LYS A 6 -18.135 -3.666 -4.248 1.00 2.98 H new ATOM 0 HE2 LYS A 6 -19.796 -5.957 -5.392 1.00 3.67 H new ATOM 0 HE3 LYS A 6 -19.448 -5.672 -3.698 1.00 3.67 H new ATOM 0 HZ1 LYS A 6 -21.629 -4.914 -4.143 1.00 3.78 H new ATOM 0 HZ2 LYS A 6 -20.669 -3.532 -3.914 1.00 3.78 H new ATOM 0 HZ3 LYS A 6 -21.129 -3.997 -5.481 1.00 3.78 H new ATOM 110 N THR A 7 -14.800 -1.500 -7.512 1.00 1.23 N ATOM 111 CA THR A 7 -13.531 -1.312 -8.240 1.00 1.25 C ATOM 112 C THR A 7 -12.440 -1.077 -7.194 1.00 0.98 C ATOM 113 O THR A 7 -11.326 -1.544 -7.325 1.00 0.93 O ATOM 114 CB THR A 7 -13.678 -0.101 -9.161 1.00 1.53 C ATOM 115 OG1 THR A 7 -14.936 -0.272 -9.804 1.00 1.77 O ATOM 116 CG2 THR A 7 -12.661 -0.171 -10.310 1.00 1.82 C ATOM 0 H THR A 7 -15.490 -0.754 -7.604 1.00 1.23 H new ATOM 0 HA THR A 7 -13.273 -2.179 -8.849 1.00 1.25 H new ATOM 0 HB THR A 7 -13.557 0.818 -8.588 1.00 1.53 H new ATOM 0 HG1 THR A 7 -15.096 0.478 -10.414 1.00 1.77 H new ATOM 0 HG21 THR A 7 -12.781 0.699 -10.955 1.00 1.82 H new ATOM 0 HG22 THR A 7 -11.651 -0.184 -9.901 1.00 1.82 H new ATOM 0 HG23 THR A 7 -12.829 -1.078 -10.890 1.00 1.82 H new ATOM 124 N ALA A 8 -12.796 -0.359 -6.170 1.00 0.87 N ATOM 125 CA ALA A 8 -11.795 -0.062 -5.119 1.00 0.79 C ATOM 126 C ALA A 8 -11.417 -1.345 -4.416 1.00 0.62 C ATOM 127 O ALA A 8 -10.333 -1.467 -3.888 1.00 0.70 O ATOM 128 CB ALA A 8 -12.380 0.918 -4.113 1.00 0.81 C ATOM 0 H ALA A 8 -13.726 0.030 -6.017 1.00 0.87 H new ATOM 0 HA ALA A 8 -10.910 0.381 -5.575 1.00 0.79 H new ATOM 0 HB1 ALA A 8 -11.640 1.133 -3.342 1.00 0.81 H new ATOM 0 HB2 ALA A 8 -12.653 1.842 -4.622 1.00 0.81 H new ATOM 0 HB3 ALA A 8 -13.267 0.481 -3.653 1.00 0.81 H new ATOM 134 N LEU A 9 -12.313 -2.285 -4.409 1.00 0.59 N ATOM 135 CA LEU A 9 -11.968 -3.561 -3.737 1.00 0.73 C ATOM 136 C LEU A 9 -10.817 -4.128 -4.541 1.00 0.60 C ATOM 137 O LEU A 9 -9.845 -4.642 -4.023 1.00 0.61 O ATOM 138 CB LEU A 9 -13.171 -4.521 -3.787 1.00 1.09 C ATOM 139 CG LEU A 9 -12.848 -5.866 -3.101 1.00 1.65 C ATOM 140 CD1 LEU A 9 -12.625 -5.675 -1.591 1.00 1.96 C ATOM 141 CD2 LEU A 9 -14.013 -6.844 -3.327 1.00 2.37 C ATOM 0 H LEU A 9 -13.242 -2.231 -4.826 1.00 0.59 H new ATOM 0 HA LEU A 9 -11.706 -3.419 -2.688 1.00 0.73 H new ATOM 0 HB2 LEU A 9 -14.028 -4.058 -3.298 1.00 1.09 H new ATOM 0 HB3 LEU A 9 -13.454 -4.699 -4.825 1.00 1.09 H new ATOM 0 HG LEU A 9 -11.932 -6.266 -3.536 1.00 1.65 H new ATOM 0 HD11 LEU A 9 -12.399 -6.637 -1.132 1.00 1.96 H new ATOM 0 HD12 LEU A 9 -11.791 -4.992 -1.430 1.00 1.96 H new ATOM 0 HD13 LEU A 9 -13.526 -5.260 -1.140 1.00 1.96 H new ATOM 0 HD21 LEU A 9 -13.789 -7.795 -2.844 1.00 2.37 H new ATOM 0 HD22 LEU A 9 -14.926 -6.427 -2.901 1.00 2.37 H new ATOM 0 HD23 LEU A 9 -14.152 -7.004 -4.396 1.00 2.37 H new ATOM 153 N ASN A 10 -10.959 -4.009 -5.825 1.00 0.60 N ATOM 154 CA ASN A 10 -9.895 -4.558 -6.696 1.00 0.63 C ATOM 155 C ASN A 10 -8.620 -3.748 -6.633 1.00 0.57 C ATOM 156 O ASN A 10 -7.550 -4.316 -6.698 1.00 0.57 O ATOM 157 CB ASN A 10 -10.369 -4.594 -8.140 1.00 0.76 C ATOM 158 CG ASN A 10 -11.550 -5.559 -8.222 1.00 1.34 C ATOM 159 OD1 ASN A 10 -11.388 -6.758 -8.090 1.00 1.67 O ATOM 160 ND2 ASN A 10 -12.750 -5.094 -8.432 1.00 2.15 N ATOM 0 H ASN A 10 -11.746 -3.567 -6.300 1.00 0.60 H new ATOM 0 HA ASN A 10 -9.682 -5.563 -6.332 1.00 0.63 H new ATOM 0 HB2 ASN A 10 -10.666 -3.598 -8.469 1.00 0.76 H new ATOM 0 HB3 ASN A 10 -9.563 -4.920 -8.798 1.00 0.76 H new ATOM 0 HD21 ASN A 10 -13.543 -5.734 -8.484 1.00 2.15 H new ATOM 0 HD22 ASN A 10 -12.896 -4.091 -8.544 1.00 2.15 H new ATOM 167 N MET A 11 -8.714 -2.454 -6.507 1.00 0.60 N ATOM 168 CA MET A 11 -7.429 -1.712 -6.482 1.00 0.65 C ATOM 169 C MET A 11 -6.764 -1.978 -5.150 1.00 0.62 C ATOM 170 O MET A 11 -5.555 -1.966 -5.053 1.00 0.68 O ATOM 171 CB MET A 11 -7.675 -0.195 -6.662 1.00 0.77 C ATOM 172 CG MET A 11 -8.106 0.518 -5.377 1.00 1.18 C ATOM 173 SD MET A 11 -6.865 0.757 -4.078 1.00 1.98 S ATOM 174 CE MET A 11 -7.947 0.708 -2.626 1.00 2.42 C ATOM 0 H MET A 11 -9.570 -1.906 -6.425 1.00 0.60 H new ATOM 0 HA MET A 11 -6.789 -2.045 -7.299 1.00 0.65 H new ATOM 0 HB2 MET A 11 -6.763 0.270 -7.036 1.00 0.77 H new ATOM 0 HB3 MET A 11 -8.442 -0.048 -7.423 1.00 0.77 H new ATOM 0 HG2 MET A 11 -8.493 1.499 -5.653 1.00 1.18 H new ATOM 0 HG3 MET A 11 -8.936 -0.042 -4.947 1.00 1.18 H new ATOM 0 HE1 MET A 11 -7.443 0.184 -1.814 1.00 2.42 H new ATOM 0 HE2 MET A 11 -8.180 1.725 -2.311 1.00 2.42 H new ATOM 0 HE3 MET A 11 -8.870 0.186 -2.877 1.00 2.42 H new ATOM 184 N ALA A 12 -7.549 -2.214 -4.138 1.00 0.58 N ATOM 185 CA ALA A 12 -6.899 -2.489 -2.830 1.00 0.62 C ATOM 186 C ALA A 12 -6.101 -3.758 -3.028 1.00 0.56 C ATOM 187 O ALA A 12 -4.973 -3.892 -2.593 1.00 0.57 O ATOM 188 CB ALA A 12 -7.939 -2.724 -1.751 1.00 0.67 C ATOM 0 H ALA A 12 -8.569 -2.229 -4.154 1.00 0.58 H new ATOM 0 HA ALA A 12 -6.280 -1.648 -2.518 1.00 0.62 H new ATOM 0 HB1 ALA A 12 -7.440 -2.923 -0.802 1.00 0.67 H new ATOM 0 HB2 ALA A 12 -8.567 -1.839 -1.652 1.00 0.67 H new ATOM 0 HB3 ALA A 12 -8.558 -3.579 -2.022 1.00 0.67 H new ATOM 194 N ARG A 13 -6.736 -4.672 -3.699 1.00 0.53 N ATOM 195 CA ARG A 13 -6.053 -5.960 -3.956 1.00 0.50 C ATOM 196 C ARG A 13 -4.830 -5.668 -4.815 1.00 0.49 C ATOM 197 O ARG A 13 -3.842 -6.365 -4.723 1.00 0.51 O ATOM 198 CB ARG A 13 -7.005 -6.896 -4.696 1.00 0.51 C ATOM 199 CG ARG A 13 -6.379 -8.285 -4.853 1.00 0.61 C ATOM 200 CD ARG A 13 -7.226 -9.069 -5.860 1.00 1.07 C ATOM 201 NE ARG A 13 -8.657 -9.050 -5.431 1.00 1.86 N ATOM 202 CZ ARG A 13 -9.578 -8.553 -6.231 1.00 2.52 C ATOM 203 NH1 ARG A 13 -9.365 -8.574 -7.532 1.00 3.08 N ATOM 204 NH2 ARG A 13 -10.677 -8.056 -5.702 1.00 3.15 N ATOM 0 H ARG A 13 -7.681 -4.585 -4.074 1.00 0.53 H new ATOM 0 HA ARG A 13 -5.753 -6.438 -3.024 1.00 0.50 H new ATOM 0 HB2 ARG A 13 -7.945 -6.974 -4.150 1.00 0.51 H new ATOM 0 HB3 ARG A 13 -7.240 -6.484 -5.677 1.00 0.51 H new ATOM 0 HG2 ARG A 13 -5.350 -8.203 -5.202 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -6.350 -8.802 -3.894 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -7.127 -8.631 -6.853 1.00 1.07 H new ATOM 0 HD3 ARG A 13 -6.870 -10.097 -5.928 1.00 1.07 H new ATOM 0 HE ARG A 13 -8.921 -9.422 -4.519 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -8.500 -8.970 -7.901 1.00 3.08 H new ATOM 0 HH12 ARG A 13 -10.065 -8.194 -8.170 1.00 3.08 H new ATOM 0 HH21 ARG A 13 -10.803 -8.061 -4.690 1.00 3.15 H new ATOM 0 HH22 ARG A 13 -11.402 -7.666 -6.304 1.00 3.15 H new ATOM 218 N PHE A 14 -4.900 -4.657 -5.635 1.00 0.52 N ATOM 219 CA PHE A 14 -3.703 -4.375 -6.470 1.00 0.54 C ATOM 220 C PHE A 14 -2.554 -4.059 -5.547 1.00 0.57 C ATOM 221 O PHE A 14 -1.474 -4.589 -5.698 1.00 0.59 O ATOM 222 CB PHE A 14 -3.892 -3.156 -7.374 1.00 0.62 C ATOM 223 CG PHE A 14 -2.540 -2.875 -8.036 1.00 1.17 C ATOM 224 CD1 PHE A 14 -2.095 -3.650 -9.090 1.00 1.81 C ATOM 225 CD2 PHE A 14 -1.743 -1.843 -7.575 1.00 2.02 C ATOM 226 CE1 PHE A 14 -0.873 -3.394 -9.676 1.00 2.50 C ATOM 227 CE2 PHE A 14 -0.522 -1.587 -8.160 1.00 2.69 C ATOM 228 CZ PHE A 14 -0.085 -2.362 -9.211 1.00 2.71 C ATOM 0 H PHE A 14 -5.700 -4.037 -5.761 1.00 0.52 H new ATOM 0 HA PHE A 14 -3.525 -5.250 -7.095 1.00 0.54 H new ATOM 0 HB2 PHE A 14 -4.657 -3.349 -8.126 1.00 0.62 H new ATOM 0 HB3 PHE A 14 -4.224 -2.294 -6.795 1.00 0.62 H new ATOM 0 HD1 PHE A 14 -2.707 -4.460 -9.457 1.00 1.81 H new ATOM 0 HD2 PHE A 14 -2.080 -1.233 -6.750 1.00 2.02 H new ATOM 0 HE1 PHE A 14 -0.533 -4.003 -10.501 1.00 2.50 H new ATOM 0 HE2 PHE A 14 0.093 -0.778 -7.794 1.00 2.69 H new ATOM 0 HZ PHE A 14 0.872 -2.162 -9.670 1.00 2.71 H new ATOM 238 N ILE A 15 -2.825 -3.200 -4.610 1.00 0.58 N ATOM 239 CA ILE A 15 -1.755 -2.813 -3.667 1.00 0.63 C ATOM 240 C ILE A 15 -1.266 -4.073 -2.965 1.00 0.59 C ATOM 241 O ILE A 15 -0.093 -4.213 -2.695 1.00 0.62 O ATOM 242 CB ILE A 15 -2.338 -1.795 -2.667 1.00 0.69 C ATOM 243 CG1 ILE A 15 -2.861 -0.595 -3.493 1.00 0.79 C ATOM 244 CG2 ILE A 15 -1.216 -1.314 -1.734 1.00 0.82 C ATOM 245 CD1 ILE A 15 -3.489 0.461 -2.577 1.00 0.93 C ATOM 0 H ILE A 15 -3.731 -2.755 -4.460 1.00 0.58 H new ATOM 0 HA ILE A 15 -0.910 -2.349 -4.177 1.00 0.63 H new ATOM 0 HB ILE A 15 -3.136 -2.238 -2.071 1.00 0.69 H new ATOM 0 HG12 ILE A 15 -2.041 -0.152 -4.059 1.00 0.79 H new ATOM 0 HG13 ILE A 15 -3.599 -0.940 -4.218 1.00 0.79 H new ATOM 0 HG21 ILE A 15 -1.619 -0.593 -1.022 1.00 0.82 H new ATOM 0 HG22 ILE A 15 -0.802 -2.165 -1.193 1.00 0.82 H new ATOM 0 HG23 ILE A 15 -0.430 -0.842 -2.323 1.00 0.82 H new ATOM 0 HD11 ILE A 15 -3.850 1.296 -3.178 1.00 0.93 H new ATOM 0 HD12 ILE A 15 -4.323 0.020 -2.031 1.00 0.93 H new ATOM 0 HD13 ILE A 15 -2.741 0.820 -1.870 1.00 0.93 H new ATOM 257 N ARG A 16 -2.156 -4.975 -2.676 1.00 0.58 N ATOM 258 CA ARG A 16 -1.679 -6.205 -1.999 1.00 0.58 C ATOM 259 C ARG A 16 -0.695 -6.951 -2.876 1.00 0.55 C ATOM 260 O ARG A 16 0.396 -7.274 -2.453 1.00 0.56 O ATOM 261 CB ARG A 16 -2.853 -7.123 -1.694 1.00 0.60 C ATOM 262 CG ARG A 16 -3.526 -6.620 -0.433 1.00 0.82 C ATOM 263 CD ARG A 16 -4.727 -7.519 -0.136 1.00 1.04 C ATOM 264 NE ARG A 16 -4.249 -8.916 0.047 1.00 1.57 N ATOM 265 CZ ARG A 16 -4.623 -9.512 1.153 1.00 2.08 C ATOM 266 NH1 ARG A 16 -5.811 -10.074 1.180 1.00 2.68 N ATOM 267 NH2 ARG A 16 -3.799 -9.511 2.179 1.00 2.60 N ATOM 0 H ARG A 16 -3.156 -4.920 -2.870 1.00 0.58 H new ATOM 0 HA ARG A 16 -1.187 -5.909 -1.073 1.00 0.58 H new ATOM 0 HB2 ARG A 16 -3.558 -7.129 -2.525 1.00 0.60 H new ATOM 0 HB3 ARG A 16 -2.510 -8.149 -1.559 1.00 0.60 H new ATOM 0 HG2 ARG A 16 -2.826 -6.634 0.402 1.00 0.82 H new ATOM 0 HG3 ARG A 16 -3.848 -5.587 -0.561 1.00 0.82 H new ATOM 0 HD2 ARG A 16 -5.242 -7.176 0.761 1.00 1.04 H new ATOM 0 HD3 ARG A 16 -5.446 -7.471 -0.954 1.00 1.04 H new ATOM 0 HE ARG A 16 -3.665 -9.382 -0.647 1.00 1.57 H new ATOM 0 HH11 ARG A 16 -6.411 -10.038 0.356 1.00 2.68 H new ATOM 0 HH12 ARG A 16 -6.133 -10.546 2.025 1.00 2.68 H new ATOM 0 HH21 ARG A 16 -2.891 -9.053 2.103 1.00 2.60 H new ATOM 0 HH22 ARG A 16 -4.068 -9.968 3.050 1.00 2.60 H new ATOM 281 N SER A 17 -1.114 -7.197 -4.078 1.00 0.57 N ATOM 282 CA SER A 17 -0.260 -7.938 -5.033 1.00 0.60 C ATOM 283 C SER A 17 1.037 -7.180 -5.306 1.00 0.56 C ATOM 284 O SER A 17 2.084 -7.760 -5.510 1.00 0.55 O ATOM 285 CB SER A 17 -1.076 -8.108 -6.290 1.00 0.68 C ATOM 286 OG SER A 17 -2.333 -8.517 -5.761 1.00 0.72 O ATOM 0 H SER A 17 -2.023 -6.913 -4.444 1.00 0.57 H new ATOM 0 HA SER A 17 0.034 -8.907 -4.631 1.00 0.60 H new ATOM 0 HB2 SER A 17 -1.152 -7.181 -6.858 1.00 0.68 H new ATOM 0 HB3 SER A 17 -0.649 -8.856 -6.958 1.00 0.68 H new ATOM 0 HG SER A 17 -2.966 -8.661 -6.495 1.00 0.72 H new ATOM 292 N GLN A 18 0.936 -5.888 -5.303 1.00 0.57 N ATOM 293 CA GLN A 18 2.140 -5.074 -5.571 1.00 0.57 C ATOM 294 C GLN A 18 3.093 -5.346 -4.432 1.00 0.51 C ATOM 295 O GLN A 18 4.229 -5.723 -4.627 1.00 0.51 O ATOM 296 CB GLN A 18 1.730 -3.602 -5.610 1.00 0.65 C ATOM 297 CG GLN A 18 2.944 -2.702 -5.778 1.00 0.91 C ATOM 298 CD GLN A 18 2.396 -1.277 -5.835 1.00 1.11 C ATOM 299 OE1 GLN A 18 1.218 -1.066 -5.624 1.00 1.80 O ATOM 300 NE2 GLN A 18 3.199 -0.287 -6.112 1.00 1.05 N ATOM 0 H GLN A 18 0.079 -5.364 -5.128 1.00 0.57 H new ATOM 0 HA GLN A 18 2.612 -5.317 -6.523 1.00 0.57 H new ATOM 0 HB2 GLN A 18 1.034 -3.437 -6.432 1.00 0.65 H new ATOM 0 HB3 GLN A 18 1.205 -3.343 -4.691 1.00 0.65 H new ATOM 0 HG2 GLN A 18 3.638 -2.822 -4.946 1.00 0.91 H new ATOM 0 HG3 GLN A 18 3.491 -2.948 -6.688 1.00 0.91 H new ATOM 0 HE21 GLN A 18 4.187 -0.466 -6.289 1.00 1.05 H new ATOM 0 HE22 GLN A 18 2.838 0.666 -6.152 1.00 1.05 H new ATOM 309 N THR A 19 2.566 -5.141 -3.267 1.00 0.48 N ATOM 310 CA THR A 19 3.348 -5.341 -2.036 1.00 0.44 C ATOM 311 C THR A 19 3.804 -6.798 -1.952 1.00 0.43 C ATOM 312 O THR A 19 4.810 -7.095 -1.341 1.00 0.46 O ATOM 313 CB THR A 19 2.425 -4.934 -0.889 1.00 0.46 C ATOM 314 OG1 THR A 19 2.123 -3.580 -1.203 1.00 0.56 O ATOM 315 CG2 THR A 19 3.163 -4.864 0.449 1.00 0.48 C ATOM 0 H THR A 19 1.604 -4.836 -3.117 1.00 0.48 H new ATOM 0 HA THR A 19 4.258 -4.742 -2.003 1.00 0.44 H new ATOM 0 HB THR A 19 1.592 -5.631 -0.797 1.00 0.46 H new ATOM 0 HG1 THR A 19 1.286 -3.541 -1.711 1.00 0.56 H new ATOM 0 HG21 THR A 19 2.466 -4.571 1.234 1.00 0.48 H new ATOM 0 HG22 THR A 19 3.584 -5.842 0.684 1.00 0.48 H new ATOM 0 HG23 THR A 19 3.966 -4.130 0.384 1.00 0.48 H new ATOM 323 N LEU A 20 3.069 -7.680 -2.565 1.00 0.45 N ATOM 324 CA LEU A 20 3.486 -9.099 -2.489 1.00 0.51 C ATOM 325 C LEU A 20 4.783 -9.226 -3.258 1.00 0.53 C ATOM 326 O LEU A 20 5.792 -9.677 -2.757 1.00 0.57 O ATOM 327 CB LEU A 20 2.430 -10.009 -3.135 1.00 0.57 C ATOM 328 CG LEU A 20 2.935 -11.473 -3.175 1.00 0.69 C ATOM 329 CD1 LEU A 20 3.187 -12.005 -1.751 1.00 1.31 C ATOM 330 CD2 LEU A 20 1.880 -12.352 -3.866 1.00 1.25 C ATOM 0 H LEU A 20 2.222 -7.486 -3.100 1.00 0.45 H new ATOM 0 HA LEU A 20 3.605 -9.399 -1.448 1.00 0.51 H new ATOM 0 HB2 LEU A 20 1.498 -9.954 -2.572 1.00 0.57 H new ATOM 0 HB3 LEU A 20 2.212 -9.664 -4.146 1.00 0.57 H new ATOM 0 HG LEU A 20 3.874 -11.504 -3.728 1.00 0.69 H new ATOM 0 HD11 LEU A 20 3.541 -13.035 -1.805 1.00 1.31 H new ATOM 0 HD12 LEU A 20 3.939 -11.388 -1.260 1.00 1.31 H new ATOM 0 HD13 LEU A 20 2.259 -11.970 -1.180 1.00 1.31 H new ATOM 0 HD21 LEU A 20 2.230 -13.384 -3.897 1.00 1.25 H new ATOM 0 HD22 LEU A 20 0.944 -12.303 -3.309 1.00 1.25 H new ATOM 0 HD23 LEU A 20 1.717 -11.993 -4.882 1.00 1.25 H new ATOM 342 N THR A 21 4.714 -8.803 -4.480 1.00 0.59 N ATOM 343 CA THR A 21 5.910 -8.902 -5.338 1.00 0.70 C ATOM 344 C THR A 21 6.982 -7.948 -4.806 1.00 0.63 C ATOM 345 O THR A 21 8.154 -8.072 -5.100 1.00 0.69 O ATOM 346 CB THR A 21 5.453 -8.540 -6.734 1.00 0.85 C ATOM 347 OG1 THR A 21 4.158 -9.129 -6.790 1.00 0.87 O ATOM 348 CG2 THR A 21 6.270 -9.306 -7.785 1.00 1.02 C ATOM 0 H THR A 21 3.888 -8.396 -4.918 1.00 0.59 H new ATOM 0 HA THR A 21 6.352 -9.898 -5.345 1.00 0.70 H new ATOM 0 HB THR A 21 5.523 -7.468 -6.919 1.00 0.85 H new ATOM 0 HG1 THR A 21 3.757 -8.954 -7.667 1.00 0.87 H new ATOM 0 HG21 THR A 21 5.927 -9.033 -8.783 1.00 1.02 H new ATOM 0 HG22 THR A 21 7.325 -9.052 -7.682 1.00 1.02 H new ATOM 0 HG23 THR A 21 6.139 -10.378 -7.637 1.00 1.02 H new ATOM 356 N LEU A 22 6.554 -7.003 -4.022 1.00 0.54 N ATOM 357 CA LEU A 22 7.543 -6.042 -3.488 1.00 0.52 C ATOM 358 C LEU A 22 8.268 -6.766 -2.372 1.00 0.45 C ATOM 359 O LEU A 22 9.448 -6.578 -2.168 1.00 0.49 O ATOM 360 CB LEU A 22 6.812 -4.818 -2.939 1.00 0.59 C ATOM 361 CG LEU A 22 7.771 -3.640 -2.689 1.00 0.89 C ATOM 362 CD1 LEU A 22 8.368 -3.123 -4.016 1.00 1.71 C ATOM 363 CD2 LEU A 22 6.962 -2.504 -2.057 1.00 1.25 C ATOM 0 H LEU A 22 5.586 -6.858 -3.735 1.00 0.54 H new ATOM 0 HA LEU A 22 8.240 -5.702 -4.254 1.00 0.52 H new ATOM 0 HB2 LEU A 22 6.037 -4.512 -3.642 1.00 0.59 H new ATOM 0 HB3 LEU A 22 6.311 -5.082 -2.008 1.00 0.59 H new ATOM 0 HG LEU A 22 8.583 -3.971 -2.042 1.00 0.89 H new ATOM 0 HD11 LEU A 22 9.042 -2.291 -3.812 1.00 1.71 H new ATOM 0 HD12 LEU A 22 8.920 -3.926 -4.504 1.00 1.71 H new ATOM 0 HD13 LEU A 22 7.564 -2.786 -4.670 1.00 1.71 H new ATOM 0 HD21 LEU A 22 7.616 -1.653 -1.868 1.00 1.25 H new ATOM 0 HD22 LEU A 22 6.164 -2.204 -2.736 1.00 1.25 H new ATOM 0 HD23 LEU A 22 6.529 -2.845 -1.117 1.00 1.25 H new ATOM 375 N LEU A 23 7.528 -7.582 -1.679 1.00 0.43 N ATOM 376 CA LEU A 23 8.121 -8.341 -0.550 1.00 0.44 C ATOM 377 C LEU A 23 9.248 -9.157 -1.149 1.00 0.48 C ATOM 378 O LEU A 23 10.385 -9.112 -0.721 1.00 0.52 O ATOM 379 CB LEU A 23 7.051 -9.264 0.049 1.00 0.53 C ATOM 380 CG LEU A 23 7.544 -9.966 1.320 1.00 0.73 C ATOM 381 CD1 LEU A 23 7.731 -8.943 2.449 1.00 1.08 C ATOM 382 CD2 LEU A 23 6.482 -10.991 1.741 1.00 1.05 C ATOM 0 H LEU A 23 6.537 -7.755 -1.847 1.00 0.43 H new ATOM 0 HA LEU A 23 8.487 -7.690 0.244 1.00 0.44 H new ATOM 0 HB2 LEU A 23 6.158 -8.683 0.279 1.00 0.53 H new ATOM 0 HB3 LEU A 23 6.763 -10.012 -0.690 1.00 0.53 H new ATOM 0 HG LEU A 23 8.499 -10.455 1.126 1.00 0.73 H new ATOM 0 HD11 LEU A 23 8.081 -9.452 3.347 1.00 1.08 H new ATOM 0 HD12 LEU A 23 8.465 -8.196 2.146 1.00 1.08 H new ATOM 0 HD13 LEU A 23 6.780 -8.453 2.657 1.00 1.08 H new ATOM 0 HD21 LEU A 23 6.810 -11.505 2.645 1.00 1.05 H new ATOM 0 HD22 LEU A 23 5.540 -10.479 1.936 1.00 1.05 H new ATOM 0 HD23 LEU A 23 6.341 -11.718 0.941 1.00 1.05 H new ATOM 394 N GLU A 24 8.841 -9.878 -2.149 1.00 0.57 N ATOM 395 CA GLU A 24 9.756 -10.765 -2.898 1.00 0.71 C ATOM 396 C GLU A 24 11.003 -9.986 -3.287 1.00 0.67 C ATOM 397 O GLU A 24 12.092 -10.233 -2.814 1.00 0.69 O ATOM 398 CB GLU A 24 8.990 -11.247 -4.127 1.00 0.90 C ATOM 399 CG GLU A 24 9.826 -12.141 -5.025 1.00 1.37 C ATOM 400 CD GLU A 24 9.028 -12.334 -6.311 1.00 1.52 C ATOM 401 OE1 GLU A 24 8.566 -11.316 -6.803 1.00 1.84 O ATOM 402 OE2 GLU A 24 8.927 -13.468 -6.733 1.00 1.83 O ATOM 0 H GLU A 24 7.879 -9.887 -2.487 1.00 0.57 H new ATOM 0 HA GLU A 24 10.079 -11.620 -2.303 1.00 0.71 H new ATOM 0 HB2 GLU A 24 8.101 -11.790 -3.806 1.00 0.90 H new ATOM 0 HB3 GLU A 24 8.647 -10.384 -4.698 1.00 0.90 H new ATOM 0 HG2 GLU A 24 10.793 -11.685 -5.234 1.00 1.37 H new ATOM 0 HG3 GLU A 24 10.023 -13.099 -4.543 1.00 1.37 H new ATOM 409 N LYS A 25 10.788 -9.046 -4.155 1.00 0.67 N ATOM 410 CA LYS A 25 11.914 -8.218 -4.653 1.00 0.72 C ATOM 411 C LYS A 25 12.730 -7.586 -3.535 1.00 0.68 C ATOM 412 O LYS A 25 13.907 -7.356 -3.700 1.00 0.75 O ATOM 413 CB LYS A 25 11.328 -7.140 -5.564 1.00 0.81 C ATOM 414 CG LYS A 25 10.715 -7.849 -6.791 1.00 0.95 C ATOM 415 CD LYS A 25 11.844 -8.245 -7.750 1.00 1.36 C ATOM 416 CE LYS A 25 11.468 -9.550 -8.485 1.00 1.57 C ATOM 417 NZ LYS A 25 11.273 -10.667 -7.526 1.00 1.86 N ATOM 0 H LYS A 25 9.874 -8.813 -4.544 1.00 0.67 H new ATOM 0 HA LYS A 25 12.607 -8.861 -5.195 1.00 0.72 H new ATOM 0 HB2 LYS A 25 10.569 -6.564 -5.036 1.00 0.81 H new ATOM 0 HB3 LYS A 25 12.102 -6.438 -5.874 1.00 0.81 H new ATOM 0 HG2 LYS A 25 10.159 -8.733 -6.477 1.00 0.95 H new ATOM 0 HG3 LYS A 25 10.008 -7.189 -7.293 1.00 0.95 H new ATOM 0 HD2 LYS A 25 12.018 -7.447 -8.472 1.00 1.36 H new ATOM 0 HD3 LYS A 25 12.773 -8.382 -7.197 1.00 1.36 H new ATOM 0 HE2 LYS A 25 10.555 -9.397 -9.060 1.00 1.57 H new ATOM 0 HE3 LYS A 25 12.253 -9.810 -9.196 1.00 1.57 H new ATOM 0 HZ1 LYS A 25 11.887 -11.463 -7.791 1.00 1.86 H new ATOM 0 HZ2 LYS A 25 11.515 -10.347 -6.567 1.00 1.86 H new ATOM 0 HZ3 LYS A 25 10.280 -10.974 -7.548 1.00 1.86 H new ATOM 431 N LEU A 26 12.127 -7.307 -2.421 1.00 0.65 N ATOM 432 CA LEU A 26 12.937 -6.692 -1.337 1.00 0.67 C ATOM 433 C LEU A 26 13.874 -7.748 -0.809 1.00 0.65 C ATOM 434 O LEU A 26 14.997 -7.472 -0.443 1.00 0.73 O ATOM 435 CB LEU A 26 12.012 -6.206 -0.231 1.00 0.68 C ATOM 436 CG LEU A 26 11.819 -4.671 -0.312 1.00 0.80 C ATOM 437 CD1 LEU A 26 11.558 -4.168 -1.754 1.00 1.21 C ATOM 438 CD2 LEU A 26 10.587 -4.324 0.529 1.00 1.22 C ATOM 0 H LEU A 26 11.142 -7.470 -2.214 1.00 0.65 H new ATOM 0 HA LEU A 26 13.506 -5.840 -1.710 1.00 0.67 H new ATOM 0 HB2 LEU A 26 11.046 -6.704 -0.314 1.00 0.68 H new ATOM 0 HB3 LEU A 26 12.427 -6.474 0.741 1.00 0.68 H new ATOM 0 HG LEU A 26 12.734 -4.197 0.043 1.00 0.80 H new ATOM 0 HD11 LEU A 26 11.431 -3.085 -1.744 1.00 1.21 H new ATOM 0 HD12 LEU A 26 12.405 -4.429 -2.389 1.00 1.21 H new ATOM 0 HD13 LEU A 26 10.654 -4.636 -2.144 1.00 1.21 H new ATOM 0 HD21 LEU A 26 10.416 -3.248 0.498 1.00 1.22 H new ATOM 0 HD22 LEU A 26 9.715 -4.841 0.128 1.00 1.22 H new ATOM 0 HD23 LEU A 26 10.751 -4.635 1.561 1.00 1.22 H new ATOM 450 N ASN A 27 13.386 -8.950 -0.782 1.00 0.60 N ATOM 451 CA ASN A 27 14.254 -10.037 -0.275 1.00 0.66 C ATOM 452 C ASN A 27 15.409 -10.149 -1.248 1.00 0.68 C ATOM 453 O ASN A 27 16.534 -10.396 -0.865 1.00 0.79 O ATOM 454 CB ASN A 27 13.485 -11.357 -0.242 1.00 0.76 C ATOM 455 CG ASN A 27 12.239 -11.201 0.639 1.00 1.02 C ATOM 456 OD1 ASN A 27 12.144 -10.193 1.467 1.00 1.70 O flip ATOM 457 ND2 ASN A 27 11.330 -12.004 0.582 1.00 1.70 N flip ATOM 0 H ASN A 27 12.449 -9.223 -1.080 1.00 0.60 H new ATOM 0 HA ASN A 27 14.597 -9.823 0.737 1.00 0.66 H new ATOM 0 HB2 ASN A 27 13.195 -11.647 -1.252 1.00 0.76 H new ATOM 0 HB3 ASN A 27 14.122 -12.151 0.147 1.00 0.76 H new ATOM 0 HD21 ASN A 27 11.388 -12.796 -0.058 1.00 1.70 H new ATOM 0 HD22 ASN A 27 10.508 -11.887 1.175 1.00 1.70 H new ATOM 464 N GLU A 28 15.103 -9.959 -2.498 1.00 0.70 N ATOM 465 CA GLU A 28 16.171 -10.055 -3.524 1.00 0.83 C ATOM 466 C GLU A 28 17.107 -8.856 -3.428 1.00 0.86 C ATOM 467 O GLU A 28 18.287 -8.968 -3.691 1.00 0.97 O ATOM 468 CB GLU A 28 15.525 -10.098 -4.901 1.00 1.00 C ATOM 469 CG GLU A 28 14.572 -11.294 -4.944 1.00 1.12 C ATOM 470 CD GLU A 28 13.914 -11.342 -6.314 1.00 1.86 C ATOM 471 OE1 GLU A 28 14.056 -10.367 -7.030 1.00 2.61 O ATOM 472 OE2 GLU A 28 13.295 -12.352 -6.585 1.00 2.24 O ATOM 0 H GLU A 28 14.170 -9.744 -2.850 1.00 0.70 H new ATOM 0 HA GLU A 28 16.754 -10.961 -3.358 1.00 0.83 H new ATOM 0 HB2 GLU A 28 14.983 -9.173 -5.096 1.00 1.00 H new ATOM 0 HB3 GLU A 28 16.286 -10.190 -5.676 1.00 1.00 H new ATOM 0 HG2 GLU A 28 15.117 -12.219 -4.754 1.00 1.12 H new ATOM 0 HG3 GLU A 28 13.816 -11.203 -4.164 1.00 1.12 H new ATOM 479 N LEU A 29 16.564 -7.736 -3.052 1.00 0.84 N ATOM 480 CA LEU A 29 17.414 -6.520 -2.947 1.00 0.98 C ATOM 481 C LEU A 29 18.021 -6.404 -1.562 1.00 1.03 C ATOM 482 O LEU A 29 18.419 -5.327 -1.170 1.00 1.19 O ATOM 483 CB LEU A 29 16.571 -5.261 -3.239 1.00 1.02 C ATOM 484 CG LEU A 29 16.632 -4.911 -4.746 1.00 1.07 C ATOM 485 CD1 LEU A 29 16.081 -6.050 -5.624 1.00 1.79 C ATOM 486 CD2 LEU A 29 15.800 -3.641 -4.982 1.00 1.43 C ATOM 0 H LEU A 29 15.580 -7.609 -2.815 1.00 0.84 H new ATOM 0 HA LEU A 29 18.218 -6.604 -3.679 1.00 0.98 H new ATOM 0 HB2 LEU A 29 15.537 -5.430 -2.940 1.00 1.02 H new ATOM 0 HB3 LEU A 29 16.941 -4.423 -2.649 1.00 1.02 H new ATOM 0 HG LEU A 29 17.675 -4.757 -5.023 1.00 1.07 H new ATOM 0 HD11 LEU A 29 16.143 -5.763 -6.674 1.00 1.79 H new ATOM 0 HD12 LEU A 29 16.669 -6.953 -5.460 1.00 1.79 H new ATOM 0 HD13 LEU A 29 15.041 -6.242 -5.361 1.00 1.79 H new ATOM 0 HD21 LEU A 29 15.830 -3.377 -6.039 1.00 1.43 H new ATOM 0 HD22 LEU A 29 14.768 -3.821 -4.682 1.00 1.43 H new ATOM 0 HD23 LEU A 29 16.211 -2.822 -4.392 1.00 1.43 H new ATOM 498 N ASP A 30 18.074 -7.508 -0.867 1.00 0.98 N ATOM 499 CA ASP A 30 18.667 -7.516 0.498 1.00 1.11 C ATOM 500 C ASP A 30 17.969 -6.470 1.321 1.00 1.16 C ATOM 501 O ASP A 30 18.513 -5.429 1.621 1.00 1.63 O ATOM 502 CB ASP A 30 20.166 -7.175 0.478 1.00 1.35 C ATOM 503 CG ASP A 30 20.671 -7.246 1.919 1.00 1.82 C ATOM 504 OD1 ASP A 30 20.545 -8.324 2.471 1.00 2.23 O ATOM 505 OD2 ASP A 30 21.148 -6.236 2.406 1.00 2.45 O ATOM 0 H ASP A 30 17.728 -8.411 -1.191 1.00 0.98 H new ATOM 0 HA ASP A 30 18.545 -8.517 0.913 1.00 1.11 H new ATOM 0 HB2 ASP A 30 20.711 -7.876 -0.154 1.00 1.35 H new ATOM 0 HB3 ASP A 30 20.328 -6.180 0.063 1.00 1.35 H new ATOM 510 N ALA A 31 16.754 -6.763 1.665 1.00 0.84 N ATOM 511 CA ALA A 31 15.988 -5.800 2.497 1.00 0.87 C ATOM 512 C ALA A 31 15.183 -6.625 3.467 1.00 0.76 C ATOM 513 O ALA A 31 14.387 -7.442 3.048 1.00 0.75 O ATOM 514 CB ALA A 31 15.056 -4.982 1.631 1.00 0.89 C ATOM 0 H ALA A 31 16.259 -7.618 1.411 1.00 0.84 H new ATOM 0 HA ALA A 31 16.657 -5.110 3.012 1.00 0.87 H new ATOM 0 HB1 ALA A 31 14.501 -4.281 2.255 1.00 0.89 H new ATOM 0 HB2 ALA A 31 15.637 -4.430 0.892 1.00 0.89 H new ATOM 0 HB3 ALA A 31 14.357 -5.645 1.121 1.00 0.89 H new ATOM 520 N ASP A 32 15.410 -6.382 4.727 1.00 0.85 N ATOM 521 CA ASP A 32 14.691 -7.153 5.778 1.00 0.87 C ATOM 522 C ASP A 32 13.637 -6.260 6.377 1.00 0.79 C ATOM 523 O ASP A 32 12.462 -6.482 6.193 1.00 0.74 O ATOM 524 CB ASP A 32 15.643 -7.579 6.893 1.00 1.11 C ATOM 525 CG ASP A 32 16.808 -8.342 6.284 1.00 2.05 C ATOM 526 OD1 ASP A 32 16.610 -8.932 5.238 1.00 2.83 O ATOM 527 OD2 ASP A 32 17.857 -8.287 6.900 1.00 2.57 O ATOM 0 H ASP A 32 16.064 -5.681 5.075 1.00 0.85 H new ATOM 0 HA ASP A 32 14.256 -8.044 5.326 1.00 0.87 H new ATOM 0 HB2 ASP A 32 16.007 -6.704 7.432 1.00 1.11 H new ATOM 0 HB3 ASP A 32 15.120 -8.205 7.616 1.00 1.11 H new ATOM 532 N GLU A 33 14.107 -5.270 7.078 1.00 0.86 N ATOM 533 CA GLU A 33 13.202 -4.297 7.742 1.00 0.90 C ATOM 534 C GLU A 33 12.085 -3.870 6.799 1.00 0.78 C ATOM 535 O GLU A 33 10.932 -3.753 7.162 1.00 0.79 O ATOM 536 CB GLU A 33 14.037 -3.055 8.195 1.00 1.07 C ATOM 537 CG GLU A 33 14.744 -2.307 7.052 1.00 1.58 C ATOM 538 CD GLU A 33 15.721 -3.225 6.351 1.00 1.74 C ATOM 539 OE1 GLU A 33 16.743 -3.490 6.952 1.00 2.15 O ATOM 540 OE2 GLU A 33 15.387 -3.617 5.249 1.00 2.11 O ATOM 0 H GLU A 33 15.101 -5.091 7.221 1.00 0.86 H new ATOM 0 HA GLU A 33 12.743 -4.767 8.612 1.00 0.90 H new ATOM 0 HB2 GLU A 33 13.377 -2.359 8.713 1.00 1.07 H new ATOM 0 HB3 GLU A 33 14.786 -3.381 8.916 1.00 1.07 H new ATOM 0 HG2 GLU A 33 14.007 -1.937 6.340 1.00 1.58 H new ATOM 0 HG3 GLU A 33 15.270 -1.438 7.447 1.00 1.58 H new ATOM 547 N GLN A 34 12.460 -3.641 5.579 1.00 0.71 N ATOM 548 CA GLN A 34 11.442 -3.209 4.600 1.00 0.67 C ATOM 549 C GLN A 34 10.506 -4.354 4.318 1.00 0.57 C ATOM 550 O GLN A 34 9.319 -4.154 4.199 1.00 0.53 O ATOM 551 CB GLN A 34 12.117 -2.802 3.321 1.00 0.72 C ATOM 552 CG GLN A 34 12.927 -1.562 3.576 1.00 0.88 C ATOM 553 CD GLN A 34 14.157 -1.703 2.707 1.00 1.49 C ATOM 554 OE1 GLN A 34 15.323 -1.745 3.287 1.00 2.26 O flip ATOM 555 NE2 GLN A 34 14.056 -1.779 1.500 1.00 1.80 N flip ATOM 0 H GLN A 34 13.411 -3.733 5.223 1.00 0.71 H new ATOM 0 HA GLN A 34 10.884 -2.365 5.006 1.00 0.67 H new ATOM 0 HB2 GLN A 34 12.760 -3.605 2.961 1.00 0.72 H new ATOM 0 HB3 GLN A 34 11.375 -2.615 2.545 1.00 0.72 H new ATOM 0 HG2 GLN A 34 12.364 -0.665 3.318 1.00 0.88 H new ATOM 0 HG3 GLN A 34 13.197 -1.478 4.629 1.00 0.88 H new ATOM 0 HE21 GLN A 34 13.135 -1.744 1.062 1.00 1.80 H new ATOM 0 HE22 GLN A 34 14.892 -1.877 0.923 1.00 1.80 H new ATOM 564 N ALA A 35 11.048 -5.530 4.213 1.00 0.58 N ATOM 565 CA ALA A 35 10.166 -6.685 3.916 1.00 0.56 C ATOM 566 C ALA A 35 9.150 -6.839 5.031 1.00 0.56 C ATOM 567 O ALA A 35 7.993 -7.099 4.779 1.00 0.54 O ATOM 568 CB ALA A 35 10.988 -7.969 3.817 1.00 0.65 C ATOM 0 H ALA A 35 12.041 -5.740 4.317 1.00 0.58 H new ATOM 0 HA ALA A 35 9.661 -6.507 2.966 1.00 0.56 H new ATOM 0 HB1 ALA A 35 10.327 -8.808 3.599 1.00 0.65 H new ATOM 0 HB2 ALA A 35 11.724 -7.869 3.019 1.00 0.65 H new ATOM 0 HB3 ALA A 35 11.500 -8.147 4.763 1.00 0.65 H new ATOM 574 N ASP A 36 9.605 -6.672 6.236 1.00 0.62 N ATOM 575 CA ASP A 36 8.681 -6.820 7.391 1.00 0.67 C ATOM 576 C ASP A 36 7.543 -5.838 7.259 1.00 0.60 C ATOM 577 O ASP A 36 6.393 -6.209 7.130 1.00 0.62 O ATOM 578 CB ASP A 36 9.405 -6.530 8.696 1.00 0.79 C ATOM 579 CG ASP A 36 10.615 -7.451 8.796 1.00 1.21 C ATOM 580 OD1 ASP A 36 10.460 -8.593 8.398 1.00 1.67 O ATOM 581 OD2 ASP A 36 11.624 -6.956 9.264 1.00 1.65 O ATOM 0 H ASP A 36 10.570 -6.441 6.472 1.00 0.62 H new ATOM 0 HA ASP A 36 8.307 -7.844 7.398 1.00 0.67 H new ATOM 0 HB2 ASP A 36 9.720 -5.487 8.730 1.00 0.79 H new ATOM 0 HB3 ASP A 36 8.737 -6.689 9.543 1.00 0.79 H new ATOM 586 N ILE A 37 7.895 -4.588 7.294 1.00 0.55 N ATOM 587 CA ILE A 37 6.847 -3.545 7.184 1.00 0.52 C ATOM 588 C ILE A 37 6.090 -3.714 5.871 1.00 0.47 C ATOM 589 O ILE A 37 4.939 -3.345 5.771 1.00 0.50 O ATOM 590 CB ILE A 37 7.517 -2.148 7.253 1.00 0.53 C ATOM 591 CG1 ILE A 37 7.847 -1.743 8.719 1.00 0.68 C ATOM 592 CG2 ILE A 37 6.593 -1.066 6.678 1.00 0.57 C ATOM 593 CD1 ILE A 37 8.878 -2.664 9.370 1.00 1.12 C ATOM 0 H ILE A 37 8.851 -4.246 7.393 1.00 0.55 H new ATOM 0 HA ILE A 37 6.136 -3.641 8.005 1.00 0.52 H new ATOM 0 HB ILE A 37 8.435 -2.220 6.669 1.00 0.53 H new ATOM 0 HG12 ILE A 37 8.221 -0.719 8.733 1.00 0.68 H new ATOM 0 HG13 ILE A 37 6.931 -1.756 9.310 1.00 0.68 H new ATOM 0 HG21 ILE A 37 7.087 -0.096 6.738 1.00 0.57 H new ATOM 0 HG22 ILE A 37 6.369 -1.295 5.636 1.00 0.57 H new ATOM 0 HG23 ILE A 37 5.666 -1.037 7.251 1.00 0.57 H new ATOM 0 HD11 ILE A 37 9.068 -2.333 10.391 1.00 1.12 H new ATOM 0 HD12 ILE A 37 8.496 -3.685 9.385 1.00 1.12 H new ATOM 0 HD13 ILE A 37 9.806 -2.632 8.799 1.00 1.12 H new ATOM 605 N CYS A 38 6.740 -4.266 4.890 1.00 0.45 N ATOM 606 CA CYS A 38 6.036 -4.427 3.590 1.00 0.47 C ATOM 607 C CYS A 38 4.902 -5.395 3.823 1.00 0.50 C ATOM 608 O CYS A 38 3.803 -5.186 3.352 1.00 0.57 O ATOM 609 CB CYS A 38 6.977 -5.004 2.519 1.00 0.48 C ATOM 610 SG CYS A 38 6.319 -5.224 0.848 1.00 0.70 S ATOM 0 H CYS A 38 7.701 -4.605 4.926 1.00 0.45 H new ATOM 0 HA CYS A 38 5.680 -3.459 3.236 1.00 0.47 H new ATOM 0 HB2 CYS A 38 7.848 -4.353 2.453 1.00 0.48 H new ATOM 0 HB3 CYS A 38 7.330 -5.974 2.870 1.00 0.48 H new ATOM 0 HG CYS A 38 7.244 -5.716 0.079 1.00 0.70 H new ATOM 616 N GLU A 39 5.188 -6.434 4.549 1.00 0.54 N ATOM 617 CA GLU A 39 4.118 -7.421 4.807 1.00 0.62 C ATOM 618 C GLU A 39 3.089 -6.719 5.667 1.00 0.58 C ATOM 619 O GLU A 39 1.903 -6.926 5.534 1.00 0.57 O ATOM 620 CB GLU A 39 4.709 -8.632 5.545 1.00 0.75 C ATOM 621 CG GLU A 39 3.616 -9.668 5.826 1.00 1.35 C ATOM 622 CD GLU A 39 2.952 -10.044 4.503 1.00 2.07 C ATOM 623 OE1 GLU A 39 3.706 -10.308 3.584 1.00 2.39 O ATOM 624 OE2 GLU A 39 1.734 -10.043 4.486 1.00 2.82 O ATOM 0 H GLU A 39 6.096 -6.638 4.966 1.00 0.54 H new ATOM 0 HA GLU A 39 3.665 -7.783 3.884 1.00 0.62 H new ATOM 0 HB2 GLU A 39 5.500 -9.082 4.945 1.00 0.75 H new ATOM 0 HB3 GLU A 39 5.163 -8.309 6.482 1.00 0.75 H new ATOM 0 HG2 GLU A 39 4.044 -10.552 6.299 1.00 1.35 H new ATOM 0 HG3 GLU A 39 2.878 -9.262 6.518 1.00 1.35 H new ATOM 631 N SER A 40 3.549 -5.885 6.546 1.00 0.63 N ATOM 632 CA SER A 40 2.555 -5.198 7.399 1.00 0.64 C ATOM 633 C SER A 40 1.692 -4.317 6.499 1.00 0.58 C ATOM 634 O SER A 40 0.529 -4.093 6.761 1.00 0.63 O ATOM 635 CB SER A 40 3.300 -4.357 8.416 1.00 0.72 C ATOM 636 OG SER A 40 4.320 -5.227 8.893 1.00 0.77 O ATOM 0 H SER A 40 4.529 -5.655 6.708 1.00 0.63 H new ATOM 0 HA SER A 40 1.918 -5.908 7.926 1.00 0.64 H new ATOM 0 HB2 SER A 40 3.720 -3.459 7.962 1.00 0.72 H new ATOM 0 HB3 SER A 40 2.644 -4.030 9.222 1.00 0.72 H new ATOM 0 HG SER A 40 4.861 -4.760 9.564 1.00 0.77 H new ATOM 642 N LEU A 41 2.282 -3.838 5.446 1.00 0.54 N ATOM 643 CA LEU A 41 1.514 -2.960 4.533 1.00 0.53 C ATOM 644 C LEU A 41 0.556 -3.895 3.828 1.00 0.50 C ATOM 645 O LEU A 41 -0.564 -3.547 3.526 1.00 0.55 O ATOM 646 CB LEU A 41 2.506 -2.299 3.550 1.00 0.56 C ATOM 647 CG LEU A 41 1.982 -1.024 2.819 1.00 0.63 C ATOM 648 CD1 LEU A 41 0.812 -1.321 1.865 1.00 1.05 C ATOM 649 CD2 LEU A 41 1.527 0.020 3.848 1.00 1.22 C ATOM 0 H LEU A 41 3.251 -4.014 5.180 1.00 0.54 H new ATOM 0 HA LEU A 41 0.973 -2.156 5.032 1.00 0.53 H new ATOM 0 HB2 LEU A 41 3.411 -2.036 4.097 1.00 0.56 H new ATOM 0 HB3 LEU A 41 2.790 -3.036 2.799 1.00 0.56 H new ATOM 0 HG LEU A 41 2.811 -0.644 2.222 1.00 0.63 H new ATOM 0 HD11 LEU A 41 0.490 -0.397 1.385 1.00 1.05 H new ATOM 0 HD12 LEU A 41 1.135 -2.031 1.104 1.00 1.05 H new ATOM 0 HD13 LEU A 41 -0.019 -1.746 2.429 1.00 1.05 H new ATOM 0 HD21 LEU A 41 1.163 0.907 3.330 1.00 1.22 H new ATOM 0 HD22 LEU A 41 0.727 -0.397 4.460 1.00 1.22 H new ATOM 0 HD23 LEU A 41 2.368 0.292 4.486 1.00 1.22 H new ATOM 661 N HIS A 42 1.024 -5.082 3.587 1.00 0.50 N ATOM 662 CA HIS A 42 0.169 -6.064 2.880 1.00 0.53 C ATOM 663 C HIS A 42 -1.084 -6.369 3.686 1.00 0.55 C ATOM 664 O HIS A 42 -2.179 -6.250 3.174 1.00 0.63 O ATOM 665 CB HIS A 42 0.943 -7.349 2.670 1.00 0.54 C ATOM 666 CG HIS A 42 0.154 -8.251 1.732 1.00 0.60 C ATOM 667 ND1 HIS A 42 0.091 -8.126 0.446 1.00 0.61 N ATOM 668 CD2 HIS A 42 -0.633 -9.352 2.015 1.00 1.21 C ATOM 669 CE1 HIS A 42 -0.662 -9.057 -0.035 1.00 0.64 C ATOM 670 NE2 HIS A 42 -1.136 -9.844 0.899 1.00 1.13 N ATOM 0 H HIS A 42 1.953 -5.412 3.846 1.00 0.50 H new ATOM 0 HA HIS A 42 -0.123 -5.637 1.920 1.00 0.53 H new ATOM 0 HB2 HIS A 42 1.925 -7.133 2.249 1.00 0.54 H new ATOM 0 HB3 HIS A 42 1.109 -7.850 3.624 1.00 0.54 H new ATOM 0 HD1 HIS A 42 0.562 -7.406 -0.101 1.00 0.61 H new ATOM 0 HD2 HIS A 42 -0.810 -9.750 3.003 1.00 1.21 H new ATOM 0 HE1 HIS A 42 -0.877 -9.174 -1.087 1.00 0.64 H new ATOM 678 N ASP A 43 -0.918 -6.754 4.920 1.00 0.56 N ATOM 679 CA ASP A 43 -2.138 -7.069 5.724 1.00 0.64 C ATOM 680 C ASP A 43 -2.927 -5.818 6.009 1.00 0.60 C ATOM 681 O ASP A 43 -4.138 -5.834 5.998 1.00 0.62 O ATOM 682 CB ASP A 43 -1.824 -7.666 7.081 1.00 0.80 C ATOM 683 CG ASP A 43 -3.188 -7.937 7.725 1.00 1.22 C ATOM 684 OD1 ASP A 43 -3.830 -8.868 7.269 1.00 1.51 O ATOM 685 OD2 ASP A 43 -3.541 -7.214 8.637 1.00 1.86 O ATOM 0 H ASP A 43 -0.023 -6.863 5.397 1.00 0.56 H new ATOM 0 HA ASP A 43 -2.692 -7.786 5.118 1.00 0.64 H new ATOM 0 HB2 ASP A 43 -1.245 -8.584 6.983 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -1.232 -6.979 7.686 1.00 0.80 H new ATOM 690 N HIS A 44 -2.257 -4.736 6.268 1.00 0.60 N ATOM 691 CA HIS A 44 -3.064 -3.520 6.532 1.00 0.63 C ATOM 692 C HIS A 44 -3.783 -3.170 5.241 1.00 0.60 C ATOM 693 O HIS A 44 -4.851 -2.593 5.235 1.00 0.68 O ATOM 694 CB HIS A 44 -2.168 -2.353 6.952 1.00 0.65 C ATOM 695 CG HIS A 44 -1.684 -2.569 8.390 1.00 1.02 C ATOM 696 ND1 HIS A 44 -2.437 -2.904 9.388 1.00 1.67 N ATOM 697 CD2 HIS A 44 -0.417 -2.462 8.941 1.00 1.54 C ATOM 698 CE1 HIS A 44 -1.719 -3.000 10.460 1.00 2.24 C ATOM 699 NE2 HIS A 44 -0.457 -2.735 10.230 1.00 2.16 N ATOM 0 H HIS A 44 -1.242 -4.639 6.308 1.00 0.60 H new ATOM 0 HA HIS A 44 -3.769 -3.706 7.342 1.00 0.63 H new ATOM 0 HB2 HIS A 44 -1.315 -2.275 6.278 1.00 0.65 H new ATOM 0 HB3 HIS A 44 -2.718 -1.415 6.880 1.00 0.65 H new ATOM 0 HD2 HIS A 44 0.474 -2.194 8.393 1.00 1.54 H new ATOM 0 HE1 HIS A 44 -2.113 -3.267 11.429 1.00 2.24 H new ATOM 0 HE2 HIS A 44 0.316 -2.739 10.895 1.00 2.16 H new ATOM 707 N ALA A 45 -3.185 -3.529 4.142 1.00 0.57 N ATOM 708 CA ALA A 45 -3.860 -3.218 2.854 1.00 0.62 C ATOM 709 C ALA A 45 -4.979 -4.222 2.774 1.00 0.59 C ATOM 710 O ALA A 45 -5.985 -3.999 2.135 1.00 0.61 O ATOM 711 CB ALA A 45 -2.945 -3.433 1.649 1.00 0.70 C ATOM 0 H ALA A 45 -2.287 -4.009 4.077 1.00 0.57 H new ATOM 0 HA ALA A 45 -4.177 -2.175 2.829 1.00 0.62 H new ATOM 0 HB1 ALA A 45 -3.486 -3.192 0.734 1.00 0.70 H new ATOM 0 HB2 ALA A 45 -2.072 -2.786 1.735 1.00 0.70 H new ATOM 0 HB3 ALA A 45 -2.624 -4.474 1.617 1.00 0.70 H new ATOM 717 N ASP A 46 -4.764 -5.321 3.436 1.00 0.60 N ATOM 718 CA ASP A 46 -5.812 -6.364 3.424 1.00 0.65 C ATOM 719 C ASP A 46 -6.922 -5.801 4.272 1.00 0.65 C ATOM 720 O ASP A 46 -8.068 -6.116 4.060 1.00 0.65 O ATOM 721 CB ASP A 46 -5.305 -7.660 4.045 1.00 0.76 C ATOM 722 CG ASP A 46 -6.235 -8.820 3.686 1.00 0.88 C ATOM 723 OD1 ASP A 46 -7.214 -8.580 3.006 1.00 1.04 O ATOM 724 OD2 ASP A 46 -5.919 -9.921 4.102 1.00 1.45 O ATOM 0 H ASP A 46 -3.925 -5.537 3.974 1.00 0.60 H new ATOM 0 HA ASP A 46 -6.128 -6.601 2.408 1.00 0.65 H new ATOM 0 HB2 ASP A 46 -4.296 -7.871 3.690 1.00 0.76 H new ATOM 0 HB3 ASP A 46 -5.247 -7.554 5.128 1.00 0.76 H new ATOM 729 N GLU A 47 -6.610 -4.982 5.236 1.00 0.71 N ATOM 730 CA GLU A 47 -7.732 -4.411 6.023 1.00 0.81 C ATOM 731 C GLU A 47 -8.457 -3.567 4.994 1.00 0.75 C ATOM 732 O GLU A 47 -9.666 -3.516 4.928 1.00 0.81 O ATOM 733 CB GLU A 47 -7.241 -3.493 7.139 1.00 0.97 C ATOM 734 CG GLU A 47 -6.401 -4.269 8.139 1.00 1.17 C ATOM 735 CD GLU A 47 -5.873 -3.258 9.148 1.00 1.52 C ATOM 736 OE1 GLU A 47 -5.255 -2.311 8.693 1.00 2.02 O ATOM 737 OE2 GLU A 47 -6.120 -3.491 10.315 1.00 1.97 O ATOM 0 H GLU A 47 -5.669 -4.693 5.504 1.00 0.71 H new ATOM 0 HA GLU A 47 -8.332 -5.186 6.501 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -6.652 -2.679 6.715 1.00 0.97 H new ATOM 0 HB3 GLU A 47 -8.093 -3.040 7.646 1.00 0.97 H new ATOM 0 HG2 GLU A 47 -6.999 -5.034 8.635 1.00 1.17 H new ATOM 0 HG3 GLU A 47 -5.579 -4.781 7.639 1.00 1.17 H new ATOM 744 N LEU A 48 -7.673 -2.922 4.181 1.00 0.72 N ATOM 745 CA LEU A 48 -8.281 -2.057 3.141 1.00 0.77 C ATOM 746 C LEU A 48 -8.843 -2.935 2.016 1.00 0.68 C ATOM 747 O LEU A 48 -9.110 -2.447 0.938 1.00 0.93 O ATOM 748 CB LEU A 48 -7.200 -1.112 2.594 1.00 0.85 C ATOM 749 CG LEU A 48 -7.823 0.183 2.026 1.00 0.87 C ATOM 750 CD1 LEU A 48 -8.436 1.020 3.172 1.00 1.52 C ATOM 751 CD2 LEU A 48 -6.719 1.013 1.350 1.00 1.40 C ATOM 0 H LEU A 48 -6.654 -2.955 4.191 1.00 0.72 H new ATOM 0 HA LEU A 48 -9.095 -1.468 3.564 1.00 0.77 H new ATOM 0 HB2 LEU A 48 -6.497 -0.862 3.388 1.00 0.85 H new ATOM 0 HB3 LEU A 48 -6.632 -1.618 1.813 1.00 0.85 H new ATOM 0 HG LEU A 48 -8.600 -0.078 1.308 1.00 0.87 H new ATOM 0 HD11 LEU A 48 -8.873 1.931 2.764 1.00 1.52 H new ATOM 0 HD12 LEU A 48 -9.210 0.439 3.673 1.00 1.52 H new ATOM 0 HD13 LEU A 48 -7.657 1.281 3.889 1.00 1.52 H new ATOM 0 HD21 LEU A 48 -7.149 1.929 0.946 1.00 1.40 H new ATOM 0 HD22 LEU A 48 -5.952 1.264 2.083 1.00 1.40 H new ATOM 0 HD23 LEU A 48 -6.272 0.434 0.542 1.00 1.40 H new ATOM 763 N TYR A 49 -9.005 -4.201 2.286 1.00 0.59 N ATOM 764 CA TYR A 49 -9.553 -5.157 1.284 1.00 0.54 C ATOM 765 C TYR A 49 -10.700 -5.912 1.972 1.00 0.59 C ATOM 766 O TYR A 49 -11.606 -6.414 1.340 1.00 0.82 O ATOM 767 CB TYR A 49 -8.463 -6.141 0.867 1.00 0.61 C ATOM 768 CG TYR A 49 -8.992 -7.050 -0.241 1.00 0.64 C ATOM 769 CD1 TYR A 49 -9.238 -6.548 -1.500 1.00 1.33 C ATOM 770 CD2 TYR A 49 -9.237 -8.385 0.002 1.00 1.29 C ATOM 771 CE1 TYR A 49 -9.718 -7.363 -2.494 1.00 1.40 C ATOM 772 CE2 TYR A 49 -9.721 -9.204 -0.997 1.00 1.32 C ATOM 773 CZ TYR A 49 -9.965 -8.694 -2.257 1.00 0.85 C ATOM 774 OH TYR A 49 -10.446 -9.491 -3.275 1.00 0.99 O ATOM 0 H TYR A 49 -8.773 -4.623 3.185 1.00 0.59 H new ATOM 0 HA TYR A 49 -9.905 -4.637 0.393 1.00 0.54 H new ATOM 0 HB2 TYR A 49 -7.584 -5.599 0.518 1.00 0.61 H new ATOM 0 HB3 TYR A 49 -8.151 -6.738 1.724 1.00 0.61 H new ATOM 0 HD1 TYR A 49 -9.052 -5.504 -1.706 1.00 1.33 H new ATOM 0 HD2 TYR A 49 -9.048 -8.793 0.984 1.00 1.29 H new ATOM 0 HE1 TYR A 49 -9.904 -6.953 -3.476 1.00 1.40 H new ATOM 0 HE2 TYR A 49 -9.910 -10.248 -0.793 1.00 1.32 H new ATOM 0 HH TYR A 49 -10.567 -10.406 -2.945 1.00 0.99 H new ATOM 784 N ARG A 50 -10.614 -5.954 3.272 1.00 0.71 N ATOM 785 CA ARG A 50 -11.617 -6.661 4.118 1.00 0.95 C ATOM 786 C ARG A 50 -12.509 -5.608 4.733 1.00 1.15 C ATOM 787 O ARG A 50 -13.698 -5.547 4.497 1.00 1.19 O ATOM 788 CB ARG A 50 -10.890 -7.443 5.232 1.00 1.20 C ATOM 789 CG ARG A 50 -10.007 -8.537 4.609 1.00 1.44 C ATOM 790 CD ARG A 50 -8.981 -9.081 5.651 1.00 1.54 C ATOM 791 NE ARG A 50 -8.032 -7.989 6.025 1.00 1.70 N ATOM 792 CZ ARG A 50 -6.952 -8.244 6.740 1.00 1.79 C ATOM 793 NH1 ARG A 50 -6.498 -9.477 6.784 1.00 2.21 N ATOM 794 NH2 ARG A 50 -6.352 -7.262 7.382 1.00 2.29 N ATOM 0 H ARG A 50 -9.863 -5.511 3.801 1.00 0.71 H new ATOM 0 HA ARG A 50 -12.202 -7.363 3.525 1.00 0.95 H new ATOM 0 HB2 ARG A 50 -10.279 -6.764 5.826 1.00 1.20 H new ATOM 0 HB3 ARG A 50 -11.618 -7.891 5.908 1.00 1.20 H new ATOM 0 HG2 ARG A 50 -10.632 -9.353 4.247 1.00 1.44 H new ATOM 0 HG3 ARG A 50 -9.477 -8.135 3.746 1.00 1.44 H new ATOM 0 HD2 ARG A 50 -9.502 -9.445 6.536 1.00 1.54 H new ATOM 0 HD3 ARG A 50 -8.434 -9.926 5.233 1.00 1.54 H new ATOM 0 HE ARG A 50 -8.221 -7.033 5.724 1.00 1.70 H new ATOM 0 HH11 ARG A 50 -6.979 -10.216 6.271 1.00 2.21 H new ATOM 0 HH12 ARG A 50 -5.665 -9.694 7.331 1.00 2.21 H new ATOM 0 HH21 ARG A 50 -6.723 -6.313 7.324 1.00 2.29 H new ATOM 0 HH22 ARG A 50 -5.517 -7.450 7.937 1.00 2.29 H new ATOM 808 N SER A 51 -11.886 -4.791 5.526 1.00 1.40 N ATOM 809 CA SER A 51 -12.645 -3.714 6.180 1.00 1.77 C ATOM 810 C SER A 51 -13.224 -2.889 5.041 1.00 1.70 C ATOM 811 O SER A 51 -14.286 -2.314 5.158 1.00 1.91 O ATOM 812 CB SER A 51 -11.671 -2.918 7.020 1.00 2.04 C ATOM 813 OG SER A 51 -10.862 -3.948 7.578 1.00 2.11 O ATOM 0 H SER A 51 -10.890 -4.826 5.745 1.00 1.40 H new ATOM 0 HA SER A 51 -13.445 -4.059 6.835 1.00 1.77 H new ATOM 0 HB2 SER A 51 -11.088 -2.220 6.419 1.00 2.04 H new ATOM 0 HB3 SER A 51 -12.176 -2.333 7.788 1.00 2.04 H new ATOM 0 HG SER A 51 -10.176 -3.550 8.154 1.00 2.11 H new ATOM 819 N CYS A 52 -12.516 -2.847 3.947 1.00 1.50 N ATOM 820 CA CYS A 52 -13.072 -2.043 2.837 1.00 1.60 C ATOM 821 C CYS A 52 -14.253 -2.778 2.264 1.00 1.30 C ATOM 822 O CYS A 52 -15.173 -2.147 1.797 1.00 1.42 O ATOM 823 CB CYS A 52 -12.078 -1.856 1.719 1.00 1.71 C ATOM 824 SG CYS A 52 -11.854 -3.261 0.604 1.00 2.41 S ATOM 0 H CYS A 52 -11.623 -3.310 3.781 1.00 1.50 H new ATOM 0 HA CYS A 52 -13.341 -1.066 3.237 1.00 1.60 H new ATOM 0 HB2 CYS A 52 -12.387 -0.995 1.127 1.00 1.71 H new ATOM 0 HB3 CYS A 52 -11.111 -1.610 2.158 1.00 1.71 H new ATOM 0 HG CYS A 52 -10.637 -3.262 0.146 1.00 2.41 H new ATOM 830 N LEU A 53 -14.219 -4.081 2.297 1.00 1.00 N ATOM 831 CA LEU A 53 -15.368 -4.844 1.738 1.00 0.95 C ATOM 832 C LEU A 53 -16.571 -4.546 2.602 1.00 1.09 C ATOM 833 O LEU A 53 -17.694 -4.633 2.152 1.00 1.19 O ATOM 834 CB LEU A 53 -15.060 -6.354 1.762 1.00 0.98 C ATOM 835 CG LEU A 53 -16.232 -7.184 1.179 1.00 1.21 C ATOM 836 CD1 LEU A 53 -16.558 -6.756 -0.265 1.00 1.56 C ATOM 837 CD2 LEU A 53 -15.820 -8.664 1.169 1.00 1.58 C ATOM 0 H LEU A 53 -13.459 -4.643 2.680 1.00 1.00 H new ATOM 0 HA LEU A 53 -15.557 -4.554 0.704 1.00 0.95 H new ATOM 0 HB2 LEU A 53 -14.154 -6.550 1.189 1.00 0.98 H new ATOM 0 HB3 LEU A 53 -14.864 -6.670 2.787 1.00 0.98 H new ATOM 0 HG LEU A 53 -17.116 -7.021 1.796 1.00 1.21 H new ATOM 0 HD11 LEU A 53 -17.384 -7.357 -0.645 1.00 1.56 H new ATOM 0 HD12 LEU A 53 -16.839 -5.703 -0.278 1.00 1.56 H new ATOM 0 HD13 LEU A 53 -15.681 -6.905 -0.895 1.00 1.56 H new ATOM 0 HD21 LEU A 53 -16.633 -9.265 0.762 1.00 1.58 H new ATOM 0 HD22 LEU A 53 -14.931 -8.790 0.551 1.00 1.58 H new ATOM 0 HD23 LEU A 53 -15.604 -8.988 2.187 1.00 1.58 H new ATOM 849 N ALA A 54 -16.319 -4.198 3.834 1.00 1.32 N ATOM 850 CA ALA A 54 -17.476 -3.874 4.720 1.00 1.66 C ATOM 851 C ALA A 54 -18.251 -2.701 4.127 1.00 1.77 C ATOM 852 O ALA A 54 -19.343 -2.387 4.558 1.00 2.00 O ATOM 853 CB ALA A 54 -17.006 -3.468 6.112 1.00 1.85 C ATOM 0 H ALA A 54 -15.394 -4.125 4.257 1.00 1.32 H new ATOM 0 HA ALA A 54 -18.102 -4.763 4.795 1.00 1.66 H new ATOM 0 HB1 ALA A 54 -17.870 -3.238 6.735 1.00 1.85 H new ATOM 0 HB2 ALA A 54 -16.444 -4.288 6.560 1.00 1.85 H new ATOM 0 HB3 ALA A 54 -16.367 -2.588 6.038 1.00 1.85 H new ATOM 1063 N GLU B 5 18.193 0.068 -5.646 1.00 1.21 N ATOM 1064 CA GLU B 5 17.557 0.346 -4.343 1.00 0.96 C ATOM 1065 C GLU B 5 16.716 1.596 -4.520 1.00 0.95 C ATOM 1066 O GLU B 5 15.585 1.650 -4.084 1.00 0.82 O ATOM 1067 CB GLU B 5 18.670 0.537 -3.340 1.00 1.13 C ATOM 1068 CG GLU B 5 19.475 -0.768 -3.341 1.00 1.56 C ATOM 1069 CD GLU B 5 20.821 -0.531 -2.690 1.00 1.97 C ATOM 1070 OE1 GLU B 5 20.969 0.484 -2.035 1.00 2.53 O ATOM 1071 OE2 GLU B 5 21.646 -1.397 -2.897 1.00 2.36 O ATOM 0 HA GLU B 5 16.911 -0.457 -3.990 1.00 0.96 H new ATOM 0 HB2 GLU B 5 19.300 1.383 -3.614 1.00 1.13 H new ATOM 0 HB3 GLU B 5 18.269 0.746 -2.348 1.00 1.13 H new ATOM 0 HG2 GLU B 5 18.931 -1.544 -2.803 1.00 1.56 H new ATOM 0 HG3 GLU B 5 19.611 -1.123 -4.362 1.00 1.56 H new ATOM 1078 N LYS B 6 17.278 2.575 -5.166 1.00 1.22 N ATOM 1079 CA LYS B 6 16.490 3.818 -5.376 1.00 1.36 C ATOM 1080 C LYS B 6 15.255 3.522 -6.216 1.00 1.20 C ATOM 1081 O LYS B 6 14.277 4.238 -6.167 1.00 1.18 O ATOM 1082 CB LYS B 6 17.347 4.862 -6.092 1.00 1.75 C ATOM 1083 CG LYS B 6 18.442 5.276 -5.111 1.00 2.49 C ATOM 1084 CD LYS B 6 19.312 6.383 -5.709 1.00 2.98 C ATOM 1085 CE LYS B 6 20.151 6.912 -4.545 1.00 3.67 C ATOM 1086 NZ LYS B 6 20.927 5.812 -3.929 1.00 3.78 N ATOM 0 H LYS B 6 18.223 2.572 -5.549 1.00 1.22 H new ATOM 0 HA LYS B 6 16.181 4.202 -4.404 1.00 1.36 H new ATOM 0 HB2 LYS B 6 17.779 4.449 -7.003 1.00 1.75 H new ATOM 0 HB3 LYS B 6 16.745 5.722 -6.386 1.00 1.75 H new ATOM 0 HG2 LYS B 6 17.992 5.623 -4.181 1.00 2.49 H new ATOM 0 HG3 LYS B 6 19.061 4.414 -4.864 1.00 2.49 H new ATOM 0 HD2 LYS B 6 19.946 5.997 -6.507 1.00 2.98 H new ATOM 0 HD3 LYS B 6 18.699 7.173 -6.143 1.00 2.98 H new ATOM 0 HE2 LYS B 6 20.828 7.689 -4.900 1.00 3.67 H new ATOM 0 HE3 LYS B 6 19.502 7.370 -3.799 1.00 3.67 H new ATOM 0 HZ1 LYS B 6 21.848 6.174 -3.610 1.00 3.78 H new ATOM 0 HZ2 LYS B 6 20.403 5.431 -3.115 1.00 3.78 H new ATOM 0 HZ3 LYS B 6 21.075 5.057 -4.629 1.00 3.78 H new ATOM 1100 N THR B 7 15.309 2.473 -6.979 1.00 1.23 N ATOM 1101 CA THR B 7 14.122 2.167 -7.801 1.00 1.25 C ATOM 1102 C THR B 7 13.063 1.624 -6.839 1.00 0.98 C ATOM 1103 O THR B 7 11.928 2.053 -6.840 1.00 0.93 O ATOM 1104 CB THR B 7 14.522 1.125 -8.837 1.00 1.53 C ATOM 1105 OG1 THR B 7 15.799 1.572 -9.276 1.00 1.77 O ATOM 1106 CG2 THR B 7 13.627 1.245 -10.081 1.00 1.82 C ATOM 0 H THR B 7 16.099 1.834 -7.067 1.00 1.23 H new ATOM 0 HA THR B 7 13.730 3.036 -8.329 1.00 1.25 H new ATOM 0 HB THR B 7 14.472 0.116 -8.427 1.00 1.53 H new ATOM 0 HG1 THR B 7 16.146 0.955 -9.954 1.00 1.77 H new ATOM 0 HG21 THR B 7 13.922 0.495 -10.815 1.00 1.82 H new ATOM 0 HG22 THR B 7 12.587 1.086 -9.797 1.00 1.82 H new ATOM 0 HG23 THR B 7 13.737 2.239 -10.514 1.00 1.82 H new ATOM 1114 N ALA B 8 13.475 0.688 -6.032 1.00 0.87 N ATOM 1115 CA ALA B 8 12.516 0.089 -5.066 1.00 0.79 C ATOM 1116 C ALA B 8 11.996 1.191 -4.171 1.00 0.62 C ATOM 1117 O ALA B 8 10.865 1.170 -3.733 1.00 0.70 O ATOM 1118 CB ALA B 8 13.212 -0.955 -4.203 1.00 0.81 C ATOM 0 H ALA B 8 14.424 0.315 -5.999 1.00 0.87 H new ATOM 0 HA ALA B 8 11.703 -0.390 -5.612 1.00 0.79 H new ATOM 0 HB1 ALA B 8 12.496 -1.383 -3.502 1.00 0.81 H new ATOM 0 HB2 ALA B 8 13.613 -1.744 -4.839 1.00 0.81 H new ATOM 0 HB3 ALA B 8 14.026 -0.486 -3.650 1.00 0.81 H new ATOM 1124 N LEU B 9 12.859 2.129 -3.928 1.00 0.59 N ATOM 1125 CA LEU B 9 12.490 3.269 -3.061 1.00 0.73 C ATOM 1126 C LEU B 9 11.335 3.988 -3.731 1.00 0.60 C ATOM 1127 O LEU B 9 10.378 4.397 -3.100 1.00 0.61 O ATOM 1128 CB LEU B 9 13.697 4.191 -2.932 1.00 1.09 C ATOM 1129 CG LEU B 9 13.351 5.438 -2.126 1.00 1.65 C ATOM 1130 CD1 LEU B 9 13.069 5.052 -0.665 1.00 1.96 C ATOM 1131 CD2 LEU B 9 14.528 6.411 -2.194 1.00 2.37 C ATOM 0 H LEU B 9 13.810 2.154 -4.296 1.00 0.59 H new ATOM 0 HA LEU B 9 12.194 2.943 -2.064 1.00 0.73 H new ATOM 0 HB2 LEU B 9 14.516 3.658 -2.449 1.00 1.09 H new ATOM 0 HB3 LEU B 9 14.045 4.480 -3.924 1.00 1.09 H new ATOM 0 HG LEU B 9 12.460 5.912 -2.539 1.00 1.65 H new ATOM 0 HD11 LEU B 9 12.822 5.947 -0.093 1.00 1.96 H new ATOM 0 HD12 LEU B 9 12.232 4.355 -0.628 1.00 1.96 H new ATOM 0 HD13 LEU B 9 13.953 4.580 -0.236 1.00 1.96 H new ATOM 0 HD21 LEU B 9 14.292 7.308 -1.621 1.00 2.37 H new ATOM 0 HD22 LEU B 9 15.417 5.937 -1.777 1.00 2.37 H new ATOM 0 HD23 LEU B 9 14.715 6.683 -3.233 1.00 2.37 H new ATOM 1143 N ASN B 10 11.457 4.131 -5.017 1.00 0.60 N ATOM 1144 CA ASN B 10 10.371 4.828 -5.747 1.00 0.63 C ATOM 1145 C ASN B 10 9.115 4.001 -5.675 1.00 0.57 C ATOM 1146 O ASN B 10 8.036 4.542 -5.560 1.00 0.57 O ATOM 1147 CB ASN B 10 10.749 5.028 -7.212 1.00 0.76 C ATOM 1148 CG ASN B 10 11.942 5.985 -7.267 1.00 1.34 C ATOM 1149 OD1 ASN B 10 11.981 6.972 -6.557 1.00 1.67 O ATOM 1150 ND2 ASN B 10 12.931 5.738 -8.082 1.00 2.15 N ATOM 0 H ASN B 10 12.241 3.805 -5.582 1.00 0.60 H new ATOM 0 HA ASN B 10 10.211 5.803 -5.286 1.00 0.63 H new ATOM 0 HB2 ASN B 10 11.004 4.074 -7.673 1.00 0.76 H new ATOM 0 HB3 ASN B 10 9.907 5.437 -7.770 1.00 0.76 H new ATOM 0 HD21 ASN B 10 13.730 6.371 -8.121 1.00 2.15 H new ATOM 0 HD22 ASN B 10 12.905 4.912 -8.680 1.00 2.15 H new ATOM 1157 N MET B 11 9.272 2.713 -5.738 1.00 0.60 N ATOM 1158 CA MET B 11 8.061 1.856 -5.679 1.00 0.65 C ATOM 1159 C MET B 11 7.391 2.002 -4.324 1.00 0.62 C ATOM 1160 O MET B 11 6.183 2.048 -4.230 1.00 0.68 O ATOM 1161 CB MET B 11 8.436 0.391 -5.882 1.00 0.77 C ATOM 1162 CG MET B 11 9.038 0.217 -7.278 1.00 1.18 C ATOM 1163 SD MET B 11 7.991 0.682 -8.680 1.00 1.98 S ATOM 1164 CE MET B 11 7.032 -0.849 -8.793 1.00 2.42 C ATOM 0 H MET B 11 10.163 2.225 -5.826 1.00 0.60 H new ATOM 0 HA MET B 11 7.380 2.171 -6.469 1.00 0.65 H new ATOM 0 HB2 MET B 11 9.152 0.077 -5.122 1.00 0.77 H new ATOM 0 HB3 MET B 11 7.555 -0.241 -5.771 1.00 0.77 H new ATOM 0 HG2 MET B 11 9.955 0.804 -7.329 1.00 1.18 H new ATOM 0 HG3 MET B 11 9.322 -0.828 -7.398 1.00 1.18 H new ATOM 0 HE1 MET B 11 6.315 -0.770 -9.610 1.00 2.42 H new ATOM 0 HE2 MET B 11 7.704 -1.686 -8.980 1.00 2.42 H new ATOM 0 HE3 MET B 11 6.499 -1.014 -7.857 1.00 2.42 H new ATOM 1174 N ALA B 12 8.185 2.073 -3.298 1.00 0.58 N ATOM 1175 CA ALA B 12 7.580 2.199 -1.946 1.00 0.62 C ATOM 1176 C ALA B 12 6.817 3.504 -1.880 1.00 0.56 C ATOM 1177 O ALA B 12 5.707 3.568 -1.393 1.00 0.57 O ATOM 1178 CB ALA B 12 8.669 2.207 -0.876 1.00 0.67 C ATOM 0 H ALA B 12 9.204 2.050 -3.332 1.00 0.58 H new ATOM 0 HA ALA B 12 6.915 1.354 -1.768 1.00 0.62 H new ATOM 0 HB1 ALA B 12 8.211 2.300 0.109 1.00 0.67 H new ATOM 0 HB2 ALA B 12 9.236 1.277 -0.926 1.00 0.67 H new ATOM 0 HB3 ALA B 12 9.339 3.050 -1.045 1.00 0.67 H new ATOM 1184 N ARG B 13 7.451 4.523 -2.382 1.00 0.53 N ATOM 1185 CA ARG B 13 6.791 5.849 -2.347 1.00 0.50 C ATOM 1186 C ARG B 13 5.552 5.779 -3.223 1.00 0.49 C ATOM 1187 O ARG B 13 4.563 6.428 -2.953 1.00 0.51 O ATOM 1188 CB ARG B 13 7.750 6.914 -2.885 1.00 0.51 C ATOM 1189 CG ARG B 13 7.175 8.313 -2.625 1.00 0.61 C ATOM 1190 CD ARG B 13 8.075 9.362 -3.301 1.00 1.07 C ATOM 1191 NE ARG B 13 9.480 9.184 -2.837 1.00 1.86 N ATOM 1192 CZ ARG B 13 10.416 9.000 -3.740 1.00 2.52 C ATOM 1193 NH1 ARG B 13 10.647 7.773 -4.152 1.00 3.08 N ATOM 1194 NH2 ARG B 13 11.073 10.050 -4.186 1.00 3.15 N ATOM 0 H ARG B 13 8.378 4.496 -2.806 1.00 0.53 H new ATOM 0 HA ARG B 13 6.516 6.112 -1.326 1.00 0.50 H new ATOM 0 HB2 ARG B 13 8.723 6.816 -2.404 1.00 0.51 H new ATOM 0 HB3 ARG B 13 7.907 6.768 -3.954 1.00 0.51 H new ATOM 0 HG2 ARG B 13 6.160 8.381 -3.016 1.00 0.61 H new ATOM 0 HG3 ARG B 13 7.117 8.502 -1.553 1.00 0.61 H new ATOM 0 HD2 ARG B 13 8.023 9.258 -4.385 1.00 1.07 H new ATOM 0 HD3 ARG B 13 7.726 10.366 -3.060 1.00 1.07 H new ATOM 0 HE ARG B 13 9.709 9.205 -1.843 1.00 1.86 H new ATOM 0 HH11 ARG B 13 10.106 6.997 -3.771 1.00 3.08 H new ATOM 0 HH12 ARG B 13 11.367 7.597 -4.852 1.00 3.08 H new ATOM 0 HH21 ARG B 13 10.851 10.980 -3.830 1.00 3.15 H new ATOM 0 HH22 ARG B 13 11.805 9.934 -4.887 1.00 3.15 H new ATOM 1208 N PHE B 14 5.618 4.994 -4.258 1.00 0.52 N ATOM 1209 CA PHE B 14 4.428 4.923 -5.138 1.00 0.54 C ATOM 1210 C PHE B 14 3.272 4.383 -4.330 1.00 0.57 C ATOM 1211 O PHE B 14 2.208 4.964 -4.348 1.00 0.59 O ATOM 1212 CB PHE B 14 4.700 3.998 -6.331 1.00 0.62 C ATOM 1213 CG PHE B 14 3.435 3.836 -7.186 1.00 1.17 C ATOM 1214 CD1 PHE B 14 2.535 4.873 -7.381 1.00 1.81 C ATOM 1215 CD2 PHE B 14 3.181 2.616 -7.781 1.00 2.02 C ATOM 1216 CE1 PHE B 14 1.407 4.686 -8.153 1.00 2.50 C ATOM 1217 CE2 PHE B 14 2.054 2.428 -8.552 1.00 2.69 C ATOM 1218 CZ PHE B 14 1.165 3.464 -8.740 1.00 2.71 C ATOM 0 H PHE B 14 6.416 4.417 -4.526 1.00 0.52 H new ATOM 0 HA PHE B 14 4.194 5.917 -5.520 1.00 0.54 H new ATOM 0 HB2 PHE B 14 5.507 4.407 -6.939 1.00 0.62 H new ATOM 0 HB3 PHE B 14 5.032 3.023 -5.974 1.00 0.62 H new ATOM 0 HD1 PHE B 14 2.719 5.835 -6.925 1.00 1.81 H new ATOM 0 HD2 PHE B 14 3.874 1.799 -7.641 1.00 2.02 H new ATOM 0 HE1 PHE B 14 0.712 5.500 -8.297 1.00 2.50 H new ATOM 0 HE2 PHE B 14 1.867 1.468 -9.009 1.00 2.69 H new ATOM 0 HZ PHE B 14 0.282 3.318 -9.345 1.00 2.71 H new ATOM 1228 N ILE B 15 3.498 3.300 -3.641 1.00 0.58 N ATOM 1229 CA ILE B 15 2.394 2.726 -2.834 1.00 0.63 C ATOM 1230 C ILE B 15 1.839 3.799 -1.917 1.00 0.59 C ATOM 1231 O ILE B 15 0.641 3.930 -1.768 1.00 0.62 O ATOM 1232 CB ILE B 15 2.937 1.543 -2.013 1.00 0.69 C ATOM 1233 CG1 ILE B 15 3.378 0.467 -3.024 1.00 0.79 C ATOM 1234 CG2 ILE B 15 1.826 0.984 -1.103 1.00 0.82 C ATOM 1235 CD1 ILE B 15 3.844 -0.800 -2.306 1.00 0.93 C ATOM 0 H ILE B 15 4.384 2.797 -3.603 1.00 0.58 H new ATOM 0 HA ILE B 15 1.594 2.370 -3.483 1.00 0.63 H new ATOM 0 HB ILE B 15 3.769 1.852 -1.380 1.00 0.69 H new ATOM 0 HG12 ILE B 15 2.550 0.228 -3.691 1.00 0.79 H new ATOM 0 HG13 ILE B 15 4.185 0.855 -3.645 1.00 0.79 H new ATOM 0 HG21 ILE B 15 2.216 0.147 -0.524 1.00 0.82 H new ATOM 0 HG22 ILE B 15 1.484 1.766 -0.425 1.00 0.82 H new ATOM 0 HG23 ILE B 15 0.991 0.644 -1.715 1.00 0.82 H new ATOM 0 HD11 ILE B 15 4.150 -1.544 -3.042 1.00 0.93 H new ATOM 0 HD12 ILE B 15 4.688 -0.562 -1.659 1.00 0.93 H new ATOM 0 HD13 ILE B 15 3.027 -1.199 -1.705 1.00 0.93 H new ATOM 1247 N ARG B 16 2.716 4.549 -1.320 1.00 0.58 N ATOM 1248 CA ARG B 16 2.214 5.603 -0.412 1.00 0.58 C ATOM 1249 C ARG B 16 1.285 6.523 -1.193 1.00 0.55 C ATOM 1250 O ARG B 16 0.249 6.927 -0.702 1.00 0.56 O ATOM 1251 CB ARG B 16 3.412 6.388 0.151 1.00 0.60 C ATOM 1252 CG ARG B 16 2.884 7.522 1.013 1.00 0.82 C ATOM 1253 CD ARG B 16 4.036 8.209 1.748 1.00 1.04 C ATOM 1254 NE ARG B 16 3.477 9.319 2.571 1.00 1.57 N ATOM 1255 CZ ARG B 16 3.576 9.237 3.878 1.00 2.08 C ATOM 1256 NH1 ARG B 16 4.748 9.450 4.432 1.00 2.60 N ATOM 1257 NH2 ARG B 16 2.502 8.939 4.574 1.00 2.68 N ATOM 0 H ARG B 16 3.729 4.481 -1.418 1.00 0.58 H new ATOM 0 HA ARG B 16 1.660 5.165 0.418 1.00 0.58 H new ATOM 0 HB2 ARG B 16 4.052 5.731 0.740 1.00 0.60 H new ATOM 0 HB3 ARG B 16 4.022 6.782 -0.662 1.00 0.60 H new ATOM 0 HG2 ARG B 16 2.357 8.246 0.391 1.00 0.82 H new ATOM 0 HG3 ARG B 16 2.163 7.135 1.733 1.00 0.82 H new ATOM 0 HD2 ARG B 16 4.560 7.494 2.382 1.00 1.04 H new ATOM 0 HD3 ARG B 16 4.764 8.596 1.034 1.00 1.04 H new ATOM 0 HE ARG B 16 3.029 10.122 2.130 1.00 1.57 H new ATOM 0 HH11 ARG B 16 5.555 9.673 3.849 1.00 2.60 H new ATOM 0 HH12 ARG B 16 4.851 9.392 5.445 1.00 2.60 H new ATOM 0 HH21 ARG B 16 1.615 8.777 4.098 1.00 2.68 H new ATOM 0 HH22 ARG B 16 2.556 8.870 5.590 1.00 2.68 H new ATOM 1271 N SER B 17 1.680 6.824 -2.392 1.00 0.57 N ATOM 1272 CA SER B 17 0.849 7.722 -3.225 1.00 0.60 C ATOM 1273 C SER B 17 -0.452 7.041 -3.645 1.00 0.56 C ATOM 1274 O SER B 17 -1.474 7.684 -3.769 1.00 0.55 O ATOM 1275 CB SER B 17 1.674 8.099 -4.434 1.00 0.68 C ATOM 1276 OG SER B 17 2.923 8.425 -3.840 1.00 0.72 O ATOM 0 H SER B 17 2.538 6.489 -2.829 1.00 0.57 H new ATOM 0 HA SER B 17 0.567 8.610 -2.659 1.00 0.60 H new ATOM 0 HB2 SER B 17 1.760 7.276 -5.143 1.00 0.68 H new ATOM 0 HB3 SER B 17 1.245 8.943 -4.975 1.00 0.68 H new ATOM 0 HG SER B 17 3.452 7.609 -3.723 1.00 0.72 H new ATOM 1282 N GLN B 18 -0.403 5.758 -3.859 1.00 0.57 N ATOM 1283 CA GLN B 18 -1.645 5.067 -4.282 1.00 0.57 C ATOM 1284 C GLN B 18 -2.627 5.207 -3.145 1.00 0.51 C ATOM 1285 O GLN B 18 -3.784 5.516 -3.325 1.00 0.51 O ATOM 1286 CB GLN B 18 -1.361 3.583 -4.536 1.00 0.65 C ATOM 1287 CG GLN B 18 -0.404 3.450 -5.713 1.00 0.91 C ATOM 1288 CD GLN B 18 0.080 2.003 -5.777 1.00 1.11 C ATOM 1289 OE1 GLN B 18 1.262 1.743 -5.690 1.00 1.80 O ATOM 1290 NE2 GLN B 18 -0.786 1.037 -5.925 1.00 1.05 N ATOM 0 H GLN B 18 0.425 5.170 -3.762 1.00 0.57 H new ATOM 0 HA GLN B 18 -2.037 5.499 -5.203 1.00 0.57 H new ATOM 0 HB2 GLN B 18 -0.928 3.126 -3.646 1.00 0.65 H new ATOM 0 HB3 GLN B 18 -2.290 3.053 -4.746 1.00 0.65 H new ATOM 0 HG2 GLN B 18 -0.904 3.724 -6.642 1.00 0.91 H new ATOM 0 HG3 GLN B 18 0.441 4.128 -5.594 1.00 0.91 H new ATOM 0 HE21 GLN B 18 -1.781 1.251 -5.999 1.00 1.05 H new ATOM 0 HE22 GLN B 18 -0.468 0.069 -5.967 1.00 1.05 H new ATOM 1299 N THR B 19 -2.106 4.974 -1.986 1.00 0.48 N ATOM 1300 CA THR B 19 -2.946 5.045 -0.782 1.00 0.44 C ATOM 1301 C THR B 19 -3.462 6.469 -0.595 1.00 0.43 C ATOM 1302 O THR B 19 -4.600 6.679 -0.230 1.00 0.46 O ATOM 1303 CB THR B 19 -2.055 4.574 0.348 1.00 0.46 C ATOM 1304 OG1 THR B 19 -1.551 3.340 -0.153 1.00 0.56 O ATOM 1305 CG2 THR B 19 -2.872 4.200 1.578 1.00 0.48 C ATOM 0 H THR B 19 -1.128 4.736 -1.822 1.00 0.48 H new ATOM 0 HA THR B 19 -3.839 4.422 -0.836 1.00 0.44 H new ATOM 0 HB THR B 19 -1.324 5.334 0.624 1.00 0.46 H new ATOM 0 HG1 THR B 19 -0.690 3.494 -0.595 1.00 0.56 H new ATOM 0 HG21 THR B 19 -2.203 3.866 2.371 1.00 0.48 H new ATOM 0 HG22 THR B 19 -3.434 5.069 1.919 1.00 0.48 H new ATOM 0 HG23 THR B 19 -3.564 3.397 1.325 1.00 0.48 H new ATOM 1313 N LEU B 20 -2.614 7.420 -0.857 1.00 0.45 N ATOM 1314 CA LEU B 20 -3.054 8.825 -0.672 1.00 0.51 C ATOM 1315 C LEU B 20 -4.218 9.153 -1.583 1.00 0.53 C ATOM 1316 O LEU B 20 -5.286 9.527 -1.146 1.00 0.57 O ATOM 1317 CB LEU B 20 -1.906 9.778 -0.996 1.00 0.57 C ATOM 1318 CG LEU B 20 -2.350 11.252 -0.834 1.00 0.69 C ATOM 1319 CD1 LEU B 20 -2.753 11.553 0.625 1.00 1.31 C ATOM 1320 CD2 LEU B 20 -1.186 12.164 -1.240 1.00 1.25 C ATOM 0 H LEU B 20 -1.657 7.290 -1.184 1.00 0.45 H new ATOM 0 HA LEU B 20 -3.363 8.942 0.367 1.00 0.51 H new ATOM 0 HB2 LEU B 20 -1.062 9.574 -0.338 1.00 0.57 H new ATOM 0 HB3 LEU B 20 -1.563 9.607 -2.016 1.00 0.57 H new ATOM 0 HG LEU B 20 -3.217 11.431 -1.470 1.00 0.69 H new ATOM 0 HD11 LEU B 20 -3.060 12.595 0.710 1.00 1.31 H new ATOM 0 HD12 LEU B 20 -3.581 10.906 0.915 1.00 1.31 H new ATOM 0 HD13 LEU B 20 -1.903 11.371 1.282 1.00 1.31 H new ATOM 0 HD21 LEU B 20 -1.485 13.206 -1.131 1.00 1.25 H new ATOM 0 HD22 LEU B 20 -0.327 11.964 -0.600 1.00 1.25 H new ATOM 0 HD23 LEU B 20 -0.917 11.971 -2.279 1.00 1.25 H new ATOM 1332 N THR B 21 -3.968 8.995 -2.843 1.00 0.59 N ATOM 1333 CA THR B 21 -5.017 9.333 -3.823 1.00 0.70 C ATOM 1334 C THR B 21 -6.269 8.500 -3.582 1.00 0.63 C ATOM 1335 O THR B 21 -7.381 8.976 -3.711 1.00 0.69 O ATOM 1336 CB THR B 21 -4.409 9.078 -5.187 1.00 0.85 C ATOM 1337 OG1 THR B 21 -3.092 9.594 -5.033 1.00 0.87 O ATOM 1338 CG2 THR B 21 -5.049 9.971 -6.259 1.00 1.02 C ATOM 0 H THR B 21 -3.091 8.650 -3.233 1.00 0.59 H new ATOM 0 HA THR B 21 -5.337 10.372 -3.738 1.00 0.70 H new ATOM 0 HB THR B 21 -4.510 8.033 -5.478 1.00 0.85 H new ATOM 0 HG1 THR B 21 -2.596 9.479 -5.870 1.00 0.87 H new ATOM 0 HG21 THR B 21 -4.591 9.764 -7.226 1.00 1.02 H new ATOM 0 HG22 THR B 21 -6.118 9.766 -6.313 1.00 1.02 H new ATOM 0 HG23 THR B 21 -4.893 11.018 -6.001 1.00 1.02 H new ATOM 1346 N LEU B 22 -6.068 7.265 -3.236 1.00 0.54 N ATOM 1347 CA LEU B 22 -7.263 6.433 -3.002 1.00 0.52 C ATOM 1348 C LEU B 22 -7.956 6.890 -1.754 1.00 0.45 C ATOM 1349 O LEU B 22 -9.150 6.721 -1.665 1.00 0.49 O ATOM 1350 CB LEU B 22 -6.883 4.960 -2.837 1.00 0.59 C ATOM 1351 CG LEU B 22 -7.000 4.208 -4.186 1.00 0.89 C ATOM 1352 CD1 LEU B 22 -8.493 4.053 -4.555 1.00 1.71 C ATOM 1353 CD2 LEU B 22 -6.280 4.947 -5.331 1.00 1.25 C ATOM 0 H LEU B 22 -5.163 6.812 -3.110 1.00 0.54 H new ATOM 0 HA LEU B 22 -7.921 6.536 -3.865 1.00 0.52 H new ATOM 0 HB2 LEU B 22 -5.863 4.883 -2.460 1.00 0.59 H new ATOM 0 HB3 LEU B 22 -7.533 4.493 -2.097 1.00 0.59 H new ATOM 0 HG LEU B 22 -6.524 3.235 -4.062 1.00 0.89 H new ATOM 0 HD11 LEU B 22 -8.580 3.524 -5.504 1.00 1.71 H new ATOM 0 HD12 LEU B 22 -9.003 3.487 -3.776 1.00 1.71 H new ATOM 0 HD13 LEU B 22 -8.950 5.039 -4.646 1.00 1.71 H new ATOM 0 HD21 LEU B 22 -6.390 4.381 -6.256 1.00 1.25 H new ATOM 0 HD22 LEU B 22 -6.718 5.937 -5.457 1.00 1.25 H new ATOM 0 HD23 LEU B 22 -5.221 5.047 -5.091 1.00 1.25 H new ATOM 1365 N LEU B 23 -7.225 7.448 -0.833 1.00 0.43 N ATOM 1366 CA LEU B 23 -7.890 7.892 0.416 1.00 0.44 C ATOM 1367 C LEU B 23 -9.014 8.819 0.033 1.00 0.48 C ATOM 1368 O LEU B 23 -10.111 8.688 0.538 1.00 0.52 O ATOM 1369 CB LEU B 23 -6.895 8.635 1.318 1.00 0.53 C ATOM 1370 CG LEU B 23 -7.604 9.034 2.626 1.00 0.73 C ATOM 1371 CD1 LEU B 23 -6.584 9.036 3.755 1.00 1.08 C ATOM 1372 CD2 LEU B 23 -8.139 10.480 2.529 1.00 1.05 C ATOM 0 H LEU B 23 -6.220 7.612 -0.888 1.00 0.43 H new ATOM 0 HA LEU B 23 -8.268 7.029 0.965 1.00 0.44 H new ATOM 0 HB2 LEU B 23 -6.036 8.000 1.534 1.00 0.53 H new ATOM 0 HB3 LEU B 23 -6.516 9.522 0.810 1.00 0.53 H new ATOM 0 HG LEU B 23 -8.418 8.330 2.802 1.00 0.73 H new ATOM 0 HD11 LEU B 23 -7.074 9.317 4.687 1.00 1.08 H new ATOM 0 HD12 LEU B 23 -6.153 8.040 3.858 1.00 1.08 H new ATOM 0 HD13 LEU B 23 -5.794 9.752 3.530 1.00 1.08 H new ATOM 0 HD21 LEU B 23 -8.637 10.747 3.461 1.00 1.05 H new ATOM 0 HD22 LEU B 23 -7.309 11.164 2.353 1.00 1.05 H new ATOM 0 HD23 LEU B 23 -8.849 10.551 1.705 1.00 1.05 H new ATOM 1384 N GLU B 24 -8.701 9.724 -0.851 1.00 0.57 N ATOM 1385 CA GLU B 24 -9.739 10.685 -1.298 1.00 0.71 C ATOM 1386 C GLU B 24 -10.921 9.847 -1.727 1.00 0.67 C ATOM 1387 O GLU B 24 -12.024 9.961 -1.242 1.00 0.69 O ATOM 1388 CB GLU B 24 -9.329 11.465 -2.531 1.00 0.90 C ATOM 1389 CG GLU B 24 -7.926 12.012 -2.512 1.00 1.37 C ATOM 1390 CD GLU B 24 -7.742 12.392 -3.973 1.00 1.52 C ATOM 1391 OE1 GLU B 24 -8.553 13.168 -4.443 1.00 1.84 O ATOM 1392 OE2 GLU B 24 -6.821 11.882 -4.575 1.00 1.83 O ATOM 0 H GLU B 24 -7.782 9.837 -1.278 1.00 0.57 H new ATOM 0 HA GLU B 24 -9.931 11.386 -0.486 1.00 0.71 H new ATOM 0 HB2 GLU B 24 -9.437 10.818 -3.402 1.00 0.90 H new ATOM 0 HB3 GLU B 24 -10.023 12.295 -2.662 1.00 0.90 H new ATOM 0 HG2 GLU B 24 -7.827 12.870 -1.847 1.00 1.37 H new ATOM 0 HG3 GLU B 24 -7.198 11.269 -2.184 1.00 1.37 H new ATOM 1399 N LYS B 25 -10.618 8.995 -2.658 1.00 0.67 N ATOM 1400 CA LYS B 25 -11.685 8.145 -3.219 1.00 0.72 C ATOM 1401 C LYS B 25 -12.345 7.289 -2.159 1.00 0.68 C ATOM 1402 O LYS B 25 -13.463 6.877 -2.353 1.00 0.75 O ATOM 1403 CB LYS B 25 -11.074 7.268 -4.322 1.00 0.81 C ATOM 1404 CG LYS B 25 -10.210 8.158 -5.268 1.00 0.95 C ATOM 1405 CD LYS B 25 -10.987 9.421 -5.712 1.00 1.36 C ATOM 1406 CE LYS B 25 -10.095 10.309 -6.607 1.00 1.57 C ATOM 1407 NZ LYS B 25 -8.805 10.658 -5.940 1.00 1.86 N ATOM 0 H LYS B 25 -9.687 8.853 -3.049 1.00 0.67 H new ATOM 0 HA LYS B 25 -12.466 8.783 -3.632 1.00 0.72 H new ATOM 0 HB2 LYS B 25 -10.460 6.483 -3.880 1.00 0.81 H new ATOM 0 HB3 LYS B 25 -11.863 6.774 -4.889 1.00 0.81 H new ATOM 0 HG2 LYS B 25 -9.293 8.453 -4.758 1.00 0.95 H new ATOM 0 HG3 LYS B 25 -9.915 7.582 -6.145 1.00 0.95 H new ATOM 0 HD2 LYS B 25 -11.886 9.131 -6.256 1.00 1.36 H new ATOM 0 HD3 LYS B 25 -11.311 9.984 -4.837 1.00 1.36 H new ATOM 0 HE2 LYS B 25 -9.890 9.790 -7.543 1.00 1.57 H new ATOM 0 HE3 LYS B 25 -10.631 11.224 -6.860 1.00 1.57 H new ATOM 0 HZ1 LYS B 25 -8.782 11.679 -5.741 1.00 1.86 H new ATOM 0 HZ2 LYS B 25 -8.721 10.130 -5.048 1.00 1.86 H new ATOM 0 HZ3 LYS B 25 -8.012 10.409 -6.565 1.00 1.86 H new ATOM 1421 N LEU B 26 -11.702 7.014 -1.066 1.00 0.65 N ATOM 1422 CA LEU B 26 -12.423 6.178 -0.080 1.00 0.67 C ATOM 1423 C LEU B 26 -13.467 7.087 0.519 1.00 0.65 C ATOM 1424 O LEU B 26 -14.542 6.652 0.867 1.00 0.73 O ATOM 1425 CB LEU B 26 -11.484 5.692 1.019 1.00 0.68 C ATOM 1426 CG LEU B 26 -10.481 4.670 0.443 1.00 0.80 C ATOM 1427 CD1 LEU B 26 -9.463 4.332 1.521 1.00 1.21 C ATOM 1428 CD2 LEU B 26 -11.197 3.371 0.032 1.00 1.22 C ATOM 0 H LEU B 26 -10.758 7.313 -0.820 1.00 0.65 H new ATOM 0 HA LEU B 26 -12.851 5.293 -0.551 1.00 0.67 H new ATOM 0 HB2 LEU B 26 -10.947 6.537 1.450 1.00 0.68 H new ATOM 0 HB3 LEU B 26 -12.059 5.235 1.824 1.00 0.68 H new ATOM 0 HG LEU B 26 -10.001 5.105 -0.434 1.00 0.80 H new ATOM 0 HD11 LEU B 26 -8.746 3.610 1.131 1.00 1.21 H new ATOM 0 HD12 LEU B 26 -8.938 5.238 1.823 1.00 1.21 H new ATOM 0 HD13 LEU B 26 -9.975 3.905 2.384 1.00 1.21 H new ATOM 0 HD21 LEU B 26 -10.469 2.666 -0.371 1.00 1.22 H new ATOM 0 HD22 LEU B 26 -11.683 2.932 0.903 1.00 1.22 H new ATOM 0 HD23 LEU B 26 -11.946 3.593 -0.728 1.00 1.22 H new ATOM 1440 N ASN B 27 -13.136 8.336 0.629 1.00 0.60 N ATOM 1441 CA ASN B 27 -14.136 9.265 1.207 1.00 0.66 C ATOM 1442 C ASN B 27 -15.306 9.341 0.245 1.00 0.68 C ATOM 1443 O ASN B 27 -16.444 9.176 0.635 1.00 0.79 O ATOM 1444 CB ASN B 27 -13.546 10.664 1.375 1.00 0.76 C ATOM 1445 CG ASN B 27 -12.375 10.602 2.353 1.00 1.02 C ATOM 1446 OD1 ASN B 27 -11.256 10.932 2.016 1.00 1.70 O ATOM 1447 ND2 ASN B 27 -12.581 10.186 3.573 1.00 1.70 N ATOM 0 H ASN B 27 -12.244 8.746 0.353 1.00 0.60 H new ATOM 0 HA ASN B 27 -14.446 8.902 2.187 1.00 0.66 H new ATOM 0 HB2 ASN B 27 -13.211 11.048 0.412 1.00 0.76 H new ATOM 0 HB3 ASN B 27 -14.308 11.351 1.744 1.00 0.76 H new ATOM 0 HD21 ASN B 27 -11.806 10.140 4.234 1.00 1.70 H new ATOM 0 HD22 ASN B 27 -13.517 9.907 3.865 1.00 1.70 H new ATOM 1454 N GLU B 28 -14.991 9.589 -0.993 1.00 0.70 N ATOM 1455 CA GLU B 28 -16.068 9.700 -2.015 1.00 0.83 C ATOM 1456 C GLU B 28 -16.858 8.400 -2.112 1.00 0.86 C ATOM 1457 O GLU B 28 -18.048 8.407 -2.356 1.00 0.97 O ATOM 1458 CB GLU B 28 -15.472 9.986 -3.394 1.00 1.00 C ATOM 1459 CG GLU B 28 -14.374 11.048 -3.305 1.00 1.12 C ATOM 1460 CD GLU B 28 -14.922 12.240 -2.539 1.00 1.86 C ATOM 1461 OE1 GLU B 28 -15.746 12.912 -3.132 1.00 2.24 O ATOM 1462 OE2 GLU B 28 -14.484 12.400 -1.413 1.00 2.61 O ATOM 0 H GLU B 28 -14.041 9.719 -1.341 1.00 0.70 H new ATOM 0 HA GLU B 28 -16.723 10.515 -1.708 1.00 0.83 H new ATOM 0 HB2 GLU B 28 -15.062 9.068 -3.815 1.00 1.00 H new ATOM 0 HB3 GLU B 28 -16.257 10.324 -4.071 1.00 1.00 H new ATOM 0 HG2 GLU B 28 -13.496 10.644 -2.801 1.00 1.12 H new ATOM 0 HG3 GLU B 28 -14.058 11.351 -4.303 1.00 1.12 H new ATOM 1469 N LEU B 29 -16.167 7.315 -1.914 1.00 0.84 N ATOM 1470 CA LEU B 29 -16.822 5.982 -2.009 1.00 0.98 C ATOM 1471 C LEU B 29 -17.358 5.581 -0.652 1.00 1.03 C ATOM 1472 O LEU B 29 -17.248 4.426 -0.295 1.00 1.19 O ATOM 1473 CB LEU B 29 -15.804 4.934 -2.465 1.00 1.02 C ATOM 1474 CG LEU B 29 -15.258 5.273 -3.868 1.00 1.07 C ATOM 1475 CD1 LEU B 29 -14.059 4.349 -4.152 1.00 1.79 C ATOM 1476 CD2 LEU B 29 -16.324 4.978 -4.913 1.00 1.43 C ATOM 0 H LEU B 29 -15.172 7.293 -1.689 1.00 0.84 H new ATOM 0 HA LEU B 29 -17.638 6.041 -2.729 1.00 0.98 H new ATOM 0 HB2 LEU B 29 -14.981 4.886 -1.752 1.00 1.02 H new ATOM 0 HB3 LEU B 29 -16.271 3.949 -2.480 1.00 1.02 H new ATOM 0 HG LEU B 29 -14.972 6.324 -3.907 1.00 1.07 H new ATOM 0 HD11 LEU B 29 -13.655 4.570 -5.140 1.00 1.79 H new ATOM 0 HD12 LEU B 29 -13.287 4.513 -3.400 1.00 1.79 H new ATOM 0 HD13 LEU B 29 -14.385 3.309 -4.118 1.00 1.79 H new ATOM 0 HD21 LEU B 29 -15.938 5.218 -5.904 1.00 1.43 H new ATOM 0 HD22 LEU B 29 -16.590 3.922 -4.873 1.00 1.43 H new ATOM 0 HD23 LEU B 29 -17.208 5.583 -4.712 1.00 1.43 H new ATOM 1488 N ASP B 30 -17.903 6.555 0.035 1.00 0.98 N ATOM 1489 CA ASP B 30 -18.497 6.377 1.405 1.00 1.11 C ATOM 1490 C ASP B 30 -17.792 5.351 2.274 1.00 1.16 C ATOM 1491 O ASP B 30 -18.369 4.746 3.154 1.00 1.63 O ATOM 1492 CB ASP B 30 -19.995 5.982 1.295 1.00 1.35 C ATOM 1493 CG ASP B 30 -20.235 4.924 0.225 1.00 1.82 C ATOM 1494 OD1 ASP B 30 -19.809 3.798 0.408 1.00 2.23 O ATOM 1495 OD2 ASP B 30 -20.859 5.310 -0.748 1.00 2.45 O ATOM 0 H ASP B 30 -17.964 7.512 -0.313 1.00 0.98 H new ATOM 0 HA ASP B 30 -18.372 7.344 1.893 1.00 1.11 H new ATOM 0 HB2 ASP B 30 -20.342 5.607 2.258 1.00 1.35 H new ATOM 0 HB3 ASP B 30 -20.587 6.868 1.066 1.00 1.35 H new ATOM 1500 N ALA B 31 -16.534 5.202 1.996 1.00 0.84 N ATOM 1501 CA ALA B 31 -15.670 4.252 2.729 1.00 0.87 C ATOM 1502 C ALA B 31 -14.782 5.140 3.566 1.00 0.76 C ATOM 1503 O ALA B 31 -13.582 4.955 3.619 1.00 0.75 O ATOM 1504 CB ALA B 31 -14.846 3.458 1.732 1.00 0.89 C ATOM 0 H ALA B 31 -16.053 5.721 1.262 1.00 0.84 H new ATOM 0 HA ALA B 31 -16.224 3.535 3.335 1.00 0.87 H new ATOM 0 HB1 ALA B 31 -14.206 2.755 2.266 1.00 0.89 H new ATOM 0 HB2 ALA B 31 -15.511 2.909 1.066 1.00 0.89 H new ATOM 0 HB3 ALA B 31 -14.228 4.139 1.147 1.00 0.89 H new ATOM 1510 N ASP B 32 -15.408 6.087 4.197 1.00 0.85 N ATOM 1511 CA ASP B 32 -14.634 7.042 5.037 1.00 0.87 C ATOM 1512 C ASP B 32 -13.904 6.285 6.121 1.00 0.79 C ATOM 1513 O ASP B 32 -12.802 6.617 6.503 1.00 0.74 O ATOM 1514 CB ASP B 32 -15.559 8.036 5.694 1.00 1.11 C ATOM 1515 CG ASP B 32 -14.689 8.939 6.556 1.00 2.05 C ATOM 1516 OD1 ASP B 32 -13.846 9.581 5.953 1.00 2.83 O ATOM 1517 OD2 ASP B 32 -14.918 8.933 7.752 1.00 2.57 O ATOM 0 H ASP B 32 -16.416 6.243 4.170 1.00 0.85 H new ATOM 0 HA ASP B 32 -13.927 7.568 4.396 1.00 0.87 H new ATOM 0 HB2 ASP B 32 -16.097 8.617 4.945 1.00 1.11 H new ATOM 0 HB3 ASP B 32 -16.307 7.526 6.300 1.00 1.11 H new ATOM 1522 N GLU B 33 -14.542 5.266 6.603 1.00 0.86 N ATOM 1523 CA GLU B 33 -13.888 4.459 7.665 1.00 0.90 C ATOM 1524 C GLU B 33 -12.602 3.938 7.051 1.00 0.78 C ATOM 1525 O GLU B 33 -11.548 3.919 7.652 1.00 0.79 O ATOM 1526 CB GLU B 33 -14.727 3.235 8.075 1.00 1.07 C ATOM 1527 CG GLU B 33 -16.223 3.417 7.767 1.00 1.58 C ATOM 1528 CD GLU B 33 -16.456 3.244 6.270 1.00 1.74 C ATOM 1529 OE1 GLU B 33 -15.938 2.284 5.729 1.00 2.15 O ATOM 1530 OE2 GLU B 33 -17.146 4.094 5.742 1.00 2.11 O ATOM 0 H GLU B 33 -15.471 4.958 6.317 1.00 0.86 H new ATOM 0 HA GLU B 33 -13.745 5.077 8.551 1.00 0.90 H new ATOM 0 HB2 GLU B 33 -14.356 2.353 7.553 1.00 1.07 H new ATOM 0 HB3 GLU B 33 -14.599 3.051 9.142 1.00 1.07 H new ATOM 0 HG2 GLU B 33 -16.812 2.689 8.325 1.00 1.58 H new ATOM 0 HG3 GLU B 33 -16.554 4.405 8.086 1.00 1.58 H new ATOM 1537 N GLN B 34 -12.728 3.519 5.830 1.00 0.71 N ATOM 1538 CA GLN B 34 -11.523 2.982 5.167 1.00 0.67 C ATOM 1539 C GLN B 34 -10.552 4.118 4.933 1.00 0.57 C ATOM 1540 O GLN B 34 -9.375 3.871 4.786 1.00 0.53 O ATOM 1541 CB GLN B 34 -11.889 2.364 3.828 1.00 0.72 C ATOM 1542 CG GLN B 34 -13.094 1.459 4.016 1.00 0.88 C ATOM 1543 CD GLN B 34 -12.779 0.453 5.115 1.00 1.49 C ATOM 1544 OE1 GLN B 34 -11.759 -0.206 5.082 1.00 2.26 O ATOM 1545 NE2 GLN B 34 -13.622 0.306 6.099 1.00 1.80 N ATOM 0 H GLN B 34 -13.586 3.524 5.278 1.00 0.71 H new ATOM 0 HA GLN B 34 -11.075 2.217 5.801 1.00 0.67 H new ATOM 0 HB2 GLN B 34 -12.114 3.145 3.102 1.00 0.72 H new ATOM 0 HB3 GLN B 34 -11.048 1.794 3.433 1.00 0.72 H new ATOM 0 HG2 GLN B 34 -13.972 2.048 4.282 1.00 0.88 H new ATOM 0 HG3 GLN B 34 -13.328 0.942 3.085 1.00 0.88 H new ATOM 0 HE21 GLN B 34 -14.478 0.860 6.125 1.00 1.80 H new ATOM 0 HE22 GLN B 34 -13.426 -0.363 6.843 1.00 1.80 H new ATOM 1554 N ALA B 35 -11.041 5.327 4.892 1.00 0.58 N ATOM 1555 CA ALA B 35 -10.093 6.452 4.672 1.00 0.56 C ATOM 1556 C ALA B 35 -9.173 6.465 5.875 1.00 0.56 C ATOM 1557 O ALA B 35 -7.980 6.611 5.727 1.00 0.54 O ATOM 1558 CB ALA B 35 -10.817 7.801 4.598 1.00 0.65 C ATOM 0 H ALA B 35 -12.024 5.579 4.998 1.00 0.58 H new ATOM 0 HA ALA B 35 -9.564 6.312 3.730 1.00 0.56 H new ATOM 0 HB1 ALA B 35 -10.089 8.596 4.437 1.00 0.65 H new ATOM 0 HB2 ALA B 35 -11.528 7.787 3.772 1.00 0.65 H new ATOM 0 HB3 ALA B 35 -11.349 7.980 5.532 1.00 0.65 H new ATOM 1564 N ASP B 36 -9.748 6.312 7.034 1.00 0.62 N ATOM 1565 CA ASP B 36 -8.899 6.299 8.266 1.00 0.67 C ATOM 1566 C ASP B 36 -7.858 5.215 8.135 1.00 0.60 C ATOM 1567 O ASP B 36 -6.667 5.421 8.263 1.00 0.62 O ATOM 1568 CB ASP B 36 -9.720 5.983 9.502 1.00 0.79 C ATOM 1569 CG ASP B 36 -8.766 5.382 10.536 1.00 1.21 C ATOM 1570 OD1 ASP B 36 -7.995 6.148 11.084 1.00 1.65 O ATOM 1571 OD2 ASP B 36 -8.869 4.180 10.717 1.00 1.67 O ATOM 0 H ASP B 36 -10.750 6.197 7.186 1.00 0.62 H new ATOM 0 HA ASP B 36 -8.449 7.286 8.369 1.00 0.67 H new ATOM 0 HB2 ASP B 36 -10.192 6.885 9.892 1.00 0.79 H new ATOM 0 HB3 ASP B 36 -10.520 5.282 9.264 1.00 0.79 H new ATOM 1576 N ILE B 37 -8.367 4.050 7.870 1.00 0.55 N ATOM 1577 CA ILE B 37 -7.448 2.898 7.723 1.00 0.52 C ATOM 1578 C ILE B 37 -6.433 3.231 6.634 1.00 0.47 C ATOM 1579 O ILE B 37 -5.301 2.789 6.660 1.00 0.50 O ATOM 1580 CB ILE B 37 -8.269 1.660 7.336 1.00 0.53 C ATOM 1581 CG1 ILE B 37 -9.325 1.435 8.446 1.00 0.68 C ATOM 1582 CG2 ILE B 37 -7.338 0.440 7.240 1.00 0.57 C ATOM 1583 CD1 ILE B 37 -10.173 0.196 8.134 1.00 1.12 C ATOM 0 H ILE B 37 -9.360 3.848 7.751 1.00 0.55 H new ATOM 0 HA ILE B 37 -6.921 2.694 8.655 1.00 0.52 H new ATOM 0 HB ILE B 37 -8.757 1.801 6.371 1.00 0.53 H new ATOM 0 HG12 ILE B 37 -8.829 1.311 9.409 1.00 0.68 H new ATOM 0 HG13 ILE B 37 -9.967 2.312 8.529 1.00 0.68 H new ATOM 0 HG21 ILE B 37 -7.919 -0.440 6.965 1.00 0.57 H new ATOM 0 HG22 ILE B 37 -6.576 0.623 6.482 1.00 0.57 H new ATOM 0 HG23 ILE B 37 -6.858 0.272 8.204 1.00 0.57 H new ATOM 0 HD11 ILE B 37 -10.910 0.052 8.924 1.00 1.12 H new ATOM 0 HD12 ILE B 37 -10.684 0.335 7.181 1.00 1.12 H new ATOM 0 HD13 ILE B 37 -9.528 -0.681 8.075 1.00 1.12 H new ATOM 1595 N CYS B 38 -6.866 4.017 5.695 1.00 0.45 N ATOM 1596 CA CYS B 38 -5.960 4.373 4.581 1.00 0.47 C ATOM 1597 C CYS B 38 -4.945 5.399 5.041 1.00 0.50 C ATOM 1598 O CYS B 38 -3.878 5.448 4.470 1.00 0.57 O ATOM 1599 CB CYS B 38 -6.773 4.937 3.421 1.00 0.48 C ATOM 1600 SG CYS B 38 -5.938 5.207 1.841 1.00 0.70 S ATOM 0 H CYS B 38 -7.800 4.424 5.652 1.00 0.45 H new ATOM 0 HA CYS B 38 -5.432 3.478 4.253 1.00 0.47 H new ATOM 0 HB2 CYS B 38 -7.611 4.263 3.243 1.00 0.48 H new ATOM 0 HB3 CYS B 38 -7.193 5.890 3.742 1.00 0.48 H new ATOM 0 HG CYS B 38 -6.821 5.272 0.889 1.00 0.70 H new ATOM 1606 N GLU B 39 -5.247 6.200 6.026 1.00 0.54 N ATOM 1607 CA GLU B 39 -4.204 7.170 6.455 1.00 0.62 C ATOM 1608 C GLU B 39 -3.116 6.338 7.090 1.00 0.58 C ATOM 1609 O GLU B 39 -1.939 6.534 6.869 1.00 0.57 O ATOM 1610 CB GLU B 39 -4.728 8.145 7.507 1.00 0.75 C ATOM 1611 CG GLU B 39 -5.771 9.042 6.873 1.00 1.35 C ATOM 1612 CD GLU B 39 -6.201 10.090 7.894 1.00 2.07 C ATOM 1613 OE1 GLU B 39 -5.315 10.577 8.575 1.00 2.39 O ATOM 1614 OE2 GLU B 39 -7.393 10.340 7.928 1.00 2.82 O ATOM 0 H GLU B 39 -6.132 6.227 6.533 1.00 0.54 H new ATOM 0 HA GLU B 39 -3.867 7.757 5.601 1.00 0.62 H new ATOM 0 HB2 GLU B 39 -5.161 7.598 8.345 1.00 0.75 H new ATOM 0 HB3 GLU B 39 -3.909 8.744 7.906 1.00 0.75 H new ATOM 0 HG2 GLU B 39 -5.364 9.525 5.984 1.00 1.35 H new ATOM 0 HG3 GLU B 39 -6.630 8.453 6.551 1.00 1.35 H new ATOM 1621 N SER B 40 -3.547 5.411 7.886 1.00 0.63 N ATOM 1622 CA SER B 40 -2.545 4.550 8.537 1.00 0.64 C ATOM 1623 C SER B 40 -1.742 3.864 7.437 1.00 0.58 C ATOM 1624 O SER B 40 -0.532 3.907 7.420 1.00 0.63 O ATOM 1625 CB SER B 40 -3.309 3.559 9.394 1.00 0.72 C ATOM 1626 OG SER B 40 -4.149 4.425 10.146 1.00 0.77 O ATOM 0 H SER B 40 -4.523 5.217 8.108 1.00 0.63 H new ATOM 0 HA SER B 40 -1.849 5.099 9.171 1.00 0.64 H new ATOM 0 HB2 SER B 40 -3.881 2.852 8.793 1.00 0.72 H new ATOM 0 HB3 SER B 40 -2.648 2.973 10.032 1.00 0.72 H new ATOM 0 HG SER B 40 -4.708 3.894 10.751 1.00 0.77 H new ATOM 1632 N LEU B 41 -2.451 3.258 6.533 1.00 0.54 N ATOM 1633 CA LEU B 41 -1.777 2.534 5.424 1.00 0.53 C ATOM 1634 C LEU B 41 -0.882 3.497 4.654 1.00 0.50 C ATOM 1635 O LEU B 41 0.162 3.135 4.155 1.00 0.55 O ATOM 1636 CB LEU B 41 -2.837 1.971 4.486 1.00 0.56 C ATOM 1637 CG LEU B 41 -2.256 0.847 3.604 1.00 0.63 C ATOM 1638 CD1 LEU B 41 -2.014 -0.390 4.471 1.00 1.05 C ATOM 1639 CD2 LEU B 41 -3.269 0.472 2.512 1.00 1.22 C ATOM 0 H LEU B 41 -3.470 3.232 6.513 1.00 0.54 H new ATOM 0 HA LEU B 41 -1.170 1.724 5.829 1.00 0.53 H new ATOM 0 HB2 LEU B 41 -3.674 1.585 5.068 1.00 0.56 H new ATOM 0 HB3 LEU B 41 -3.228 2.768 3.854 1.00 0.56 H new ATOM 0 HG LEU B 41 -1.326 1.190 3.151 1.00 0.63 H new ATOM 0 HD11 LEU B 41 -1.603 -1.191 3.856 1.00 1.05 H new ATOM 0 HD12 LEU B 41 -1.310 -0.145 5.266 1.00 1.05 H new ATOM 0 HD13 LEU B 41 -2.957 -0.717 4.910 1.00 1.05 H new ATOM 0 HD21 LEU B 41 -2.856 -0.322 1.890 1.00 1.22 H new ATOM 0 HD22 LEU B 41 -4.193 0.127 2.976 1.00 1.22 H new ATOM 0 HD23 LEU B 41 -3.478 1.345 1.894 1.00 1.22 H new ATOM 1651 N HIS B 42 -1.336 4.711 4.589 1.00 0.50 N ATOM 1652 CA HIS B 42 -0.589 5.757 3.842 1.00 0.53 C ATOM 1653 C HIS B 42 0.791 5.913 4.420 1.00 0.55 C ATOM 1654 O HIS B 42 1.773 5.799 3.717 1.00 0.63 O ATOM 1655 CB HIS B 42 -1.322 7.098 3.942 1.00 0.54 C ATOM 1656 CG HIS B 42 -0.626 8.205 3.149 1.00 0.60 C ATOM 1657 ND1 HIS B 42 -0.365 9.508 3.542 1.00 0.61 N flip ATOM 1658 CD2 HIS B 42 -0.148 8.133 1.948 1.00 1.21 C flip ATOM 1659 CE1 HIS B 42 0.250 10.163 2.580 1.00 0.64 C flip ATOM 1660 NE2 HIS B 42 0.362 9.279 1.623 1.00 1.13 N flip ATOM 0 H HIS B 42 -2.201 5.029 5.025 1.00 0.50 H new ATOM 0 HA HIS B 42 -0.519 5.454 2.797 1.00 0.53 H new ATOM 0 HB2 HIS B 42 -2.342 6.979 3.576 1.00 0.54 H new ATOM 0 HB3 HIS B 42 -1.391 7.394 4.989 1.00 0.54 H new ATOM 0 HD1 HIS B 42 -0.614 9.904 4.449 1.00 0.61 H new ATOM 0 HD2 HIS B 42 -0.171 7.257 1.317 1.00 1.21 H new ATOM 0 HE1 HIS B 42 0.584 11.190 2.581 1.00 0.64 H new ATOM 1668 N ASP B 43 0.853 6.170 5.692 1.00 0.56 N ATOM 1669 CA ASP B 43 2.219 6.351 6.250 1.00 0.64 C ATOM 1670 C ASP B 43 2.865 5.013 6.473 1.00 0.60 C ATOM 1671 O ASP B 43 4.065 4.939 6.612 1.00 0.62 O ATOM 1672 CB ASP B 43 2.194 7.083 7.582 1.00 0.80 C ATOM 1673 CG ASP B 43 3.622 7.582 7.822 1.00 1.22 C ATOM 1674 OD1 ASP B 43 4.021 8.439 7.047 1.00 1.86 O ATOM 1675 OD2 ASP B 43 4.245 7.100 8.749 1.00 1.51 O ATOM 0 H ASP B 43 0.069 6.259 6.339 1.00 0.56 H new ATOM 0 HA ASP B 43 2.782 6.942 5.527 1.00 0.64 H new ATOM 0 HB2 ASP B 43 1.490 7.915 7.556 1.00 0.80 H new ATOM 0 HB3 ASP B 43 1.873 6.419 8.385 1.00 0.80 H new ATOM 1680 N HIS B 44 2.093 3.968 6.508 1.00 0.60 N ATOM 1681 CA HIS B 44 2.750 2.648 6.705 1.00 0.63 C ATOM 1682 C HIS B 44 3.487 2.366 5.421 1.00 0.60 C ATOM 1683 O HIS B 44 4.491 1.683 5.388 1.00 0.68 O ATOM 1684 CB HIS B 44 1.735 1.537 6.923 1.00 0.65 C ATOM 1685 CG HIS B 44 1.060 1.736 8.277 1.00 1.02 C ATOM 1686 ND1 HIS B 44 1.387 2.633 9.150 1.00 1.67 N ATOM 1687 CD2 HIS B 44 0.007 1.052 8.860 1.00 1.54 C ATOM 1688 CE1 HIS B 44 0.617 2.526 10.185 1.00 2.24 C ATOM 1689 NE2 HIS B 44 -0.255 1.558 10.049 1.00 2.16 N ATOM 0 H HIS B 44 1.077 3.963 6.413 1.00 0.60 H new ATOM 0 HA HIS B 44 3.397 2.680 7.582 1.00 0.63 H new ATOM 0 HB2 HIS B 44 0.991 1.546 6.127 1.00 0.65 H new ATOM 0 HB3 HIS B 44 2.228 0.565 6.888 1.00 0.65 H new ATOM 0 HD2 HIS B 44 -0.522 0.226 8.408 1.00 1.54 H new ATOM 0 HE1 HIS B 44 0.685 3.160 11.057 1.00 2.24 H new ATOM 0 HE2 HIS B 44 -0.972 1.263 10.711 1.00 2.16 H new ATOM 1697 N ALA B 45 2.961 2.903 4.361 1.00 0.57 N ATOM 1698 CA ALA B 45 3.642 2.674 3.069 1.00 0.62 C ATOM 1699 C ALA B 45 4.917 3.474 3.183 1.00 0.59 C ATOM 1700 O ALA B 45 5.913 3.172 2.558 1.00 0.61 O ATOM 1701 CB ALA B 45 2.809 3.210 1.921 1.00 0.70 C ATOM 0 H ALA B 45 2.116 3.473 4.333 1.00 0.57 H new ATOM 0 HA ALA B 45 3.811 1.615 2.873 1.00 0.62 H new ATOM 0 HB1 ALA B 45 3.329 3.031 0.980 1.00 0.70 H new ATOM 0 HB2 ALA B 45 1.844 2.704 1.904 1.00 0.70 H new ATOM 0 HB3 ALA B 45 2.655 4.281 2.052 1.00 0.70 H new ATOM 1707 N ASP B 46 4.856 4.492 3.990 1.00 0.60 N ATOM 1708 CA ASP B 46 6.078 5.313 4.144 1.00 0.65 C ATOM 1709 C ASP B 46 6.979 4.603 5.118 1.00 0.65 C ATOM 1710 O ASP B 46 8.174 4.779 5.073 1.00 0.65 O ATOM 1711 CB ASP B 46 5.800 6.663 4.724 1.00 0.76 C ATOM 1712 CG ASP B 46 6.979 7.548 4.309 1.00 0.88 C ATOM 1713 OD1 ASP B 46 6.857 8.121 3.242 1.00 1.04 O ATOM 1714 OD2 ASP B 46 7.937 7.617 5.056 1.00 1.45 O ATOM 0 H ASP B 46 4.042 4.783 4.532 1.00 0.60 H new ATOM 0 HA ASP B 46 6.517 5.444 3.155 1.00 0.65 H new ATOM 0 HB2 ASP B 46 4.859 7.064 4.347 1.00 0.76 H new ATOM 0 HB3 ASP B 46 5.713 6.612 5.809 1.00 0.76 H new ATOM 1719 N GLU B 47 6.415 3.818 5.993 1.00 0.71 N ATOM 1720 CA GLU B 47 7.299 3.099 6.945 1.00 0.81 C ATOM 1721 C GLU B 47 8.212 2.283 6.055 1.00 0.75 C ATOM 1722 O GLU B 47 9.376 2.079 6.324 1.00 0.81 O ATOM 1723 CB GLU B 47 6.487 2.153 7.850 1.00 0.97 C ATOM 1724 CG GLU B 47 5.636 2.925 8.863 1.00 1.17 C ATOM 1725 CD GLU B 47 6.519 3.446 9.990 1.00 1.52 C ATOM 1726 OE1 GLU B 47 7.713 3.215 9.927 1.00 1.97 O ATOM 1727 OE2 GLU B 47 5.952 4.069 10.867 1.00 2.02 O ATOM 0 H GLU B 47 5.414 3.648 6.089 1.00 0.71 H new ATOM 0 HA GLU B 47 7.832 3.785 7.603 1.00 0.81 H new ATOM 0 HB2 GLU B 47 5.841 1.527 7.235 1.00 0.97 H new ATOM 0 HB3 GLU B 47 7.166 1.485 8.380 1.00 0.97 H new ATOM 0 HG2 GLU B 47 5.132 3.756 8.370 1.00 1.17 H new ATOM 0 HG3 GLU B 47 4.859 2.277 9.268 1.00 1.17 H new ATOM 1734 N LEU B 48 7.642 1.828 4.983 1.00 0.72 N ATOM 1735 CA LEU B 48 8.462 1.025 4.052 1.00 0.77 C ATOM 1736 C LEU B 48 9.492 1.963 3.439 1.00 0.68 C ATOM 1737 O LEU B 48 10.674 1.685 3.421 1.00 0.93 O ATOM 1738 CB LEU B 48 7.560 0.451 2.964 1.00 0.85 C ATOM 1739 CG LEU B 48 8.350 -0.460 2.023 1.00 0.87 C ATOM 1740 CD1 LEU B 48 8.817 -1.697 2.783 1.00 1.52 C ATOM 1741 CD2 LEU B 48 7.447 -0.894 0.874 1.00 1.40 C ATOM 0 H LEU B 48 6.668 1.973 4.716 1.00 0.72 H new ATOM 0 HA LEU B 48 8.957 0.200 4.564 1.00 0.77 H new ATOM 0 HB2 LEU B 48 6.745 -0.111 3.421 1.00 0.85 H new ATOM 0 HB3 LEU B 48 7.108 1.263 2.395 1.00 0.85 H new ATOM 0 HG LEU B 48 9.215 0.079 1.635 1.00 0.87 H new ATOM 0 HD11 LEU B 48 9.380 -2.346 2.112 1.00 1.52 H new ATOM 0 HD12 LEU B 48 9.454 -1.394 3.614 1.00 1.52 H new ATOM 0 HD13 LEU B 48 7.951 -2.236 3.167 1.00 1.52 H new ATOM 0 HD21 LEU B 48 8.004 -1.544 0.199 1.00 1.40 H new ATOM 0 HD22 LEU B 48 6.587 -1.434 1.271 1.00 1.40 H new ATOM 0 HD23 LEU B 48 7.103 -0.015 0.329 1.00 1.40 H new ATOM 1753 N TYR B 49 8.981 3.059 2.959 1.00 0.59 N ATOM 1754 CA TYR B 49 9.830 4.087 2.297 1.00 0.54 C ATOM 1755 C TYR B 49 11.055 4.455 3.131 1.00 0.59 C ATOM 1756 O TYR B 49 12.178 4.252 2.719 1.00 0.82 O ATOM 1757 CB TYR B 49 8.965 5.326 2.055 1.00 0.61 C ATOM 1758 CG TYR B 49 9.711 6.359 1.226 1.00 0.64 C ATOM 1759 CD1 TYR B 49 9.961 6.125 -0.106 1.00 1.33 C ATOM 1760 CD2 TYR B 49 10.135 7.540 1.795 1.00 1.29 C ATOM 1761 CE1 TYR B 49 10.627 7.057 -0.859 1.00 1.40 C ATOM 1762 CE2 TYR B 49 10.804 8.475 1.039 1.00 1.32 C ATOM 1763 CZ TYR B 49 11.055 8.240 -0.297 1.00 0.85 C ATOM 1764 OH TYR B 49 11.721 9.169 -1.070 1.00 0.99 O ATOM 0 H TYR B 49 7.989 3.291 2.998 1.00 0.59 H new ATOM 0 HA TYR B 49 10.206 3.681 1.358 1.00 0.54 H new ATOM 0 HB2 TYR B 49 8.047 5.038 1.543 1.00 0.61 H new ATOM 0 HB3 TYR B 49 8.674 5.763 3.010 1.00 0.61 H new ATOM 0 HD1 TYR B 49 9.631 5.203 -0.561 1.00 1.33 H new ATOM 0 HD2 TYR B 49 9.941 7.733 2.840 1.00 1.29 H new ATOM 0 HE1 TYR B 49 10.818 6.862 -1.904 1.00 1.40 H new ATOM 0 HE2 TYR B 49 11.134 9.397 1.494 1.00 1.32 H new ATOM 0 HH TYR B 49 11.952 9.947 -0.520 1.00 0.99 H new ATOM 1774 N ARG B 50 10.810 4.994 4.287 1.00 0.71 N ATOM 1775 CA ARG B 50 11.927 5.399 5.168 1.00 0.95 C ATOM 1776 C ARG B 50 12.812 4.199 5.486 1.00 1.15 C ATOM 1777 O ARG B 50 14.016 4.333 5.561 1.00 1.19 O ATOM 1778 CB ARG B 50 11.319 6.018 6.454 1.00 1.20 C ATOM 1779 CG ARG B 50 10.570 4.963 7.276 1.00 1.44 C ATOM 1780 CD ARG B 50 9.607 5.660 8.263 1.00 1.54 C ATOM 1781 NE ARG B 50 8.492 6.266 7.475 1.00 1.70 N ATOM 1782 CZ ARG B 50 7.397 6.688 8.078 1.00 1.79 C ATOM 1783 NH1 ARG B 50 6.965 6.049 9.139 1.00 2.21 N ATOM 1784 NH2 ARG B 50 6.768 7.735 7.594 1.00 2.29 N ATOM 0 H ARG B 50 9.877 5.172 4.660 1.00 0.71 H new ATOM 0 HA ARG B 50 12.559 6.137 4.675 1.00 0.95 H new ATOM 0 HB2 ARG B 50 12.112 6.459 7.059 1.00 1.20 H new ATOM 0 HB3 ARG B 50 10.637 6.825 6.185 1.00 1.20 H new ATOM 0 HG2 ARG B 50 10.012 4.301 6.614 1.00 1.44 H new ATOM 0 HG3 ARG B 50 11.280 4.342 7.823 1.00 1.44 H new ATOM 0 HD2 ARG B 50 9.217 4.942 8.985 1.00 1.54 H new ATOM 0 HD3 ARG B 50 10.133 6.428 8.830 1.00 1.54 H new ATOM 0 HE ARG B 50 8.578 6.354 6.462 1.00 1.70 H new ATOM 0 HH11 ARG B 50 7.474 5.237 9.488 1.00 2.21 H new ATOM 0 HH12 ARG B 50 6.120 6.364 9.615 1.00 2.21 H new ATOM 0 HH21 ARG B 50 7.128 8.208 6.765 1.00 2.29 H new ATOM 0 HH22 ARG B 50 5.920 8.075 8.047 1.00 2.29 H new ATOM 1798 N SER B 51 12.228 3.049 5.666 1.00 1.40 N ATOM 1799 CA SER B 51 13.097 1.888 5.974 1.00 1.77 C ATOM 1800 C SER B 51 13.965 1.557 4.762 1.00 1.70 C ATOM 1801 O SER B 51 15.036 0.999 4.895 1.00 1.91 O ATOM 1802 CB SER B 51 12.201 0.716 6.351 1.00 2.04 C ATOM 1803 OG SER B 51 11.592 1.188 7.545 1.00 2.11 O ATOM 0 H SER B 51 11.226 2.867 5.616 1.00 1.40 H new ATOM 0 HA SER B 51 13.765 2.112 6.805 1.00 1.77 H new ATOM 0 HB2 SER B 51 11.466 0.497 5.576 1.00 2.04 H new ATOM 0 HB3 SER B 51 12.771 -0.198 6.517 1.00 2.04 H new ATOM 0 HG SER B 51 10.652 1.403 7.370 1.00 2.11 H new ATOM 1809 N CYS B 52 13.498 1.904 3.597 1.00 1.50 N ATOM 1810 CA CYS B 52 14.340 1.613 2.412 1.00 1.60 C ATOM 1811 C CYS B 52 15.509 2.555 2.539 1.00 1.30 C ATOM 1812 O CYS B 52 16.651 2.161 2.426 1.00 1.42 O ATOM 1813 CB CYS B 52 13.565 1.899 1.129 1.00 1.71 C ATOM 1814 SG CYS B 52 12.065 0.931 0.832 1.00 2.41 S ATOM 0 H CYS B 52 12.603 2.360 3.418 1.00 1.50 H new ATOM 0 HA CYS B 52 14.650 0.569 2.368 1.00 1.60 H new ATOM 0 HB2 CYS B 52 13.291 2.954 1.128 1.00 1.71 H new ATOM 0 HB3 CYS B 52 14.239 1.744 0.286 1.00 1.71 H new ATOM 0 HG CYS B 52 11.250 1.074 1.835 1.00 2.41 H new ATOM 1820 N LEU B 53 15.181 3.788 2.785 1.00 1.00 N ATOM 1821 CA LEU B 53 16.257 4.798 2.933 1.00 0.95 C ATOM 1822 C LEU B 53 17.154 4.415 4.090 1.00 1.09 C ATOM 1823 O LEU B 53 18.293 4.825 4.152 1.00 1.19 O ATOM 1824 CB LEU B 53 15.650 6.166 3.220 1.00 0.98 C ATOM 1825 CG LEU B 53 14.896 6.671 1.986 1.00 1.21 C ATOM 1826 CD1 LEU B 53 14.030 7.883 2.365 1.00 1.56 C ATOM 1827 CD2 LEU B 53 15.924 7.125 0.932 1.00 1.58 C ATOM 0 H LEU B 53 14.228 4.137 2.889 1.00 1.00 H new ATOM 0 HA LEU B 53 16.833 4.837 2.008 1.00 0.95 H new ATOM 0 HB2 LEU B 53 14.971 6.101 4.070 1.00 0.98 H new ATOM 0 HB3 LEU B 53 16.435 6.872 3.492 1.00 0.98 H new ATOM 0 HG LEU B 53 14.265 5.873 1.596 1.00 1.21 H new ATOM 0 HD11 LEU B 53 13.496 8.238 1.484 1.00 1.56 H new ATOM 0 HD12 LEU B 53 13.312 7.592 3.132 1.00 1.56 H new ATOM 0 HD13 LEU B 53 14.667 8.680 2.749 1.00 1.56 H new ATOM 0 HD21 LEU B 53 15.402 7.488 0.047 1.00 1.58 H new ATOM 0 HD22 LEU B 53 16.538 7.926 1.344 1.00 1.58 H new ATOM 0 HD23 LEU B 53 16.560 6.283 0.658 1.00 1.58 H new ATOM 1839 N ALA B 54 16.635 3.635 4.989 1.00 1.32 N ATOM 1840 CA ALA B 54 17.484 3.255 6.141 1.00 1.66 C ATOM 1841 C ALA B 54 18.514 2.221 5.735 1.00 1.77 C ATOM 1842 O ALA B 54 19.700 2.440 5.859 1.00 2.00 O ATOM 1843 CB ALA B 54 16.626 2.668 7.260 1.00 1.85 C ATOM 0 H ALA B 54 15.689 3.254 4.979 1.00 1.32 H new ATOM 0 HA ALA B 54 17.990 4.155 6.489 1.00 1.66 H new ATOM 0 HB1 ALA B 54 17.263 2.393 8.101 1.00 1.85 H new ATOM 0 HB2 ALA B 54 15.896 3.409 7.585 1.00 1.85 H new ATOM 0 HB3 ALA B 54 16.106 1.783 6.894 1.00 1.85 H new ATOM 1849 N ARG B 55 18.048 1.107 5.253 1.00 1.75 N ATOM 1850 CA ARG B 55 19.022 0.048 4.881 1.00 1.93 C ATOM 1851 C ARG B 55 19.853 0.488 3.687 1.00 1.58 C ATOM 1852 O ARG B 55 21.064 0.449 3.719 1.00 1.71 O ATOM 1853 CB ARG B 55 18.278 -1.233 4.524 1.00 2.36 C ATOM 1854 CG ARG B 55 19.269 -2.405 4.456 1.00 2.73 C ATOM 1855 CD ARG B 55 18.477 -3.625 3.987 1.00 3.04 C ATOM 1856 NE ARG B 55 19.275 -4.871 4.121 1.00 2.92 N ATOM 1857 CZ ARG B 55 18.776 -5.852 4.839 1.00 3.13 C ATOM 1858 NH1 ARG B 55 18.301 -5.569 6.032 1.00 3.41 N ATOM 1859 NH2 ARG B 55 18.767 -7.064 4.338 1.00 3.65 N ATOM 0 H ARG B 55 17.064 0.886 5.103 1.00 1.75 H new ATOM 0 HA ARG B 55 19.681 -0.130 5.731 1.00 1.93 H new ATOM 0 HB2 ARG B 55 17.508 -1.438 5.268 1.00 2.36 H new ATOM 0 HB3 ARG B 55 17.772 -1.116 3.566 1.00 2.36 H new ATOM 0 HG2 ARG B 55 20.083 -2.184 3.766 1.00 2.73 H new ATOM 0 HG3 ARG B 55 19.719 -2.588 5.432 1.00 2.73 H new ATOM 0 HD2 ARG B 55 17.561 -3.713 4.571 1.00 3.04 H new ATOM 0 HD3 ARG B 55 18.180 -3.491 2.947 1.00 3.04 H new ATOM 0 HE ARG B 55 20.185 -4.962 3.668 1.00 2.92 H new ATOM 0 HH11 ARG B 55 18.326 -4.609 6.377 1.00 3.41 H new ATOM 0 HH12 ARG B 55 17.907 -6.309 6.613 1.00 3.41 H new ATOM 0 HH21 ARG B 55 19.143 -7.233 3.405 1.00 3.65 H new ATOM 0 HH22 ARG B 55 18.384 -7.838 4.881 1.00 3.65 H new ATOM 1873 N PHE B 56 19.185 0.900 2.651 1.00 1.42 N ATOM 1874 CA PHE B 56 19.943 1.325 1.447 1.00 1.63 C ATOM 1875 C PHE B 56 20.777 2.542 1.779 1.00 2.45 C ATOM 1876 O PHE B 56 21.733 2.846 1.095 1.00 3.11 O ATOM 1877 CB PHE B 56 18.971 1.665 0.332 1.00 1.48 C ATOM 1878 CG PHE B 56 18.027 0.481 0.074 1.00 1.19 C ATOM 1879 CD1 PHE B 56 18.441 -0.837 0.211 1.00 1.30 C ATOM 1880 CD2 PHE B 56 16.726 0.736 -0.312 1.00 1.63 C ATOM 1881 CE1 PHE B 56 17.565 -1.875 -0.034 1.00 1.24 C ATOM 1882 CE2 PHE B 56 15.851 -0.302 -0.557 1.00 1.51 C ATOM 1883 CZ PHE B 56 16.271 -1.607 -0.419 1.00 0.99 C ATOM 0 H PHE B 56 18.169 0.961 2.584 1.00 1.42 H new ATOM 0 HA PHE B 56 20.597 0.515 1.124 1.00 1.63 H new ATOM 0 HB2 PHE B 56 18.393 2.549 0.600 1.00 1.48 H new ATOM 0 HB3 PHE B 56 19.520 1.907 -0.578 1.00 1.48 H new ATOM 0 HD1 PHE B 56 19.456 -1.052 0.511 1.00 1.30 H new ATOM 0 HD2 PHE B 56 16.391 1.757 -0.423 1.00 1.63 H new ATOM 0 HE1 PHE B 56 17.895 -2.897 0.076 1.00 1.24 H new ATOM 0 HE2 PHE B 56 14.835 -0.091 -0.857 1.00 1.51 H new ATOM 0 HZ PHE B 56 15.586 -2.419 -0.613 1.00 0.99 H new