USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=39 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 13 SER OG : rot 69:sc= 0.483 USER MOD Set 1.2: A 99 GLN : amide:sc= 0 X(o=0.81,f=0.97) USER MOD Set 1.3: A 100 CYS SG : rot 20:sc= 0.325 USER MOD Set 2.1: A 92 ASN : amide:sc= 0.238 K(o=0.81,f=-0.34!) USER MOD Set 2.2: A 95 ASN : amide:sc= 0.577 K(o=0.81,f=-0.34) USER MOD Set 3.1: A 86 GLN :FLIP amide:sc= -0.235 F(o=-1.7,f=-0.23) USER MOD Set 3.2: A 106 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 10 SER OG : rot -23:sc= -1.04! USER MOD Set 4.2: A 71 TYR OH : rot -151:sc= 1.08 USER MOD Set 4.3: A 85 THR OG1 : rot -82:sc= 2.31 USER MOD Set 4.4: A 105 ASN : amide:sc= 2.59 K(o=4.9,f=1.1) USER MOD Set 5.1: A 12 HIS : no HD1:sc= -1.32 K(o=0.29,f=-2.9!) USER MOD Set 5.2: A 45 TYR OH : rot 38:sc= 0.048 USER MOD Set 5.3: A 53 MET CE :methyl -155:sc= 0 (180deg=0) USER MOD Set 5.4: A 56 SER OG : rot 162:sc= 1.02 USER MOD Set 5.5: A 68 SER OG : rot 90:sc= 0.954 USER MOD Set 5.6: A 103 CYS SG : rot -170:sc= -0.418 USER MOD Set 6.1: A 59 ASN : amide:sc= 0.663 K(o=1.5,f=-5.7!) USER MOD Set 6.2: A 63 LYS NZ :NH3+ 174:sc= 0.795 (180deg=-0.301) USER MOD Set 7.1: A 16 MET CE :methyl 150:sc= -1.32 (180deg=-1.81!) USER MOD Set 7.2: A 57 HIS : no HD1:sc= 0.034 X(o=-1.3,f=-1.6) USER MOD Set 8.1: A 14 MET CE :methyl -155:sc= 0 (180deg=0) USER MOD Set 8.2: A 97 GLN : amide:sc= -0.87 K(o=-0.87,f=-2.2!) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 0.455 (180deg=0.412) USER MOD Single : A 7 THR OG1 : rot -102:sc= 0.00932 USER MOD Single : A 17 LYS NZ :NH3+ 140:sc= 1.01 (180deg=0.581) 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 -40:sc= -3.11! USER MOD Single : A 26 THR OG1 : rot -78:sc= 1.29 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -1.85 F(o=-3.5!,f=-1.9) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -6.42! K(o=-6.4!,f=-7.1) USER MOD Single : A 50 SER OG : rot -99:sc= 0.918 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= -0.0031 (180deg=-0.111) USER MOD Single : A 58 GLN :FLIP amide:sc=-0.00757 F(o=-0.99,f=-0.0076) USER MOD Single : A 61 CYS SG : rot -34:sc= 0.0363 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 65 GLN : amide:sc= -0.939 K(o=-0.94,f=-2.2) USER MOD Single : A 70 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.29) USER MOD Single : A 73 MET CE :methyl -153:sc=-0.00824 (180deg=-0.734) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.103 F(o=-0.99,f=-0.1) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0463 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0661 USER MOD Single : A 91 TYR OH : rot -17:sc= 0.0449 USER MOD Single : A 102 MET CE :methyl 163:sc= -0.144 (180deg=-0.706) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 6 -9.048 5.552 -9.719 1.00 0.74 N ATOM 61 CA LYS A 6 -8.577 6.387 -8.615 1.00 0.49 C ATOM 62 C LYS A 6 -7.234 5.844 -8.125 1.00 0.39 C ATOM 63 O LYS A 6 -7.169 4.917 -7.310 1.00 0.48 O ATOM 64 CB LYS A 6 -9.589 6.450 -7.455 1.00 0.68 C ATOM 65 CG LYS A 6 -10.849 7.255 -7.755 1.00 0.95 C ATOM 66 CD LYS A 6 -11.832 7.194 -6.590 1.00 1.62 C ATOM 67 CE LYS A 6 -13.095 8.006 -6.852 1.00 2.01 C ATOM 68 NZ LYS A 6 -12.880 9.472 -6.690 1.00 2.61 N ATOM 0 HA LYS A 6 -8.461 7.407 -8.982 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.878 5.434 -7.187 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.097 6.882 -6.584 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -10.582 8.293 -7.955 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.325 6.869 -8.656 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -12.104 6.155 -6.402 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -11.345 7.565 -5.688 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -13.448 7.804 -7.863 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -13.880 7.680 -6.169 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -13.713 9.986 -7.041 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -12.735 9.693 -5.684 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -12.041 9.762 -7.232 1.00 2.61 H new ATOM 82 N THR A 7 -6.164 6.398 -8.660 1.00 0.30 N ATOM 83 CA THR A 7 -4.831 5.933 -8.345 1.00 0.27 C ATOM 84 C THR A 7 -4.175 6.887 -7.367 1.00 0.21 C ATOM 85 O THR A 7 -4.145 8.097 -7.599 1.00 0.22 O ATOM 86 CB THR A 7 -3.960 5.831 -9.613 1.00 0.33 C ATOM 87 OG1 THR A 7 -4.619 5.024 -10.600 1.00 0.43 O ATOM 88 CG2 THR A 7 -2.596 5.234 -9.294 1.00 0.34 C ATOM 0 H THR A 7 -6.194 7.176 -9.319 1.00 0.30 H new ATOM 0 HA THR A 7 -4.917 4.941 -7.902 1.00 0.27 H new ATOM 0 HB THR A 7 -3.814 6.838 -10.003 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.219 4.129 -10.611 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.003 5.174 -10.206 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.083 5.866 -8.569 1.00 0.34 H new ATOM 0 HG23 THR A 7 -2.724 4.235 -8.878 1.00 0.34 H new ATOM 96 N PHE A 8 -3.687 6.355 -6.265 1.00 0.19 N ATOM 97 CA PHE A 8 -2.995 7.175 -5.300 1.00 0.18 C ATOM 98 C PHE A 8 -1.612 6.606 -5.013 1.00 0.19 C ATOM 99 O PHE A 8 -1.453 5.423 -4.700 1.00 0.22 O ATOM 100 CB PHE A 8 -3.851 7.348 -4.032 1.00 0.21 C ATOM 101 CG PHE A 8 -3.406 6.584 -2.813 1.00 0.23 C ATOM 102 CD1 PHE A 8 -2.475 7.125 -1.941 1.00 0.27 C ATOM 103 CD2 PHE A 8 -3.936 5.336 -2.527 1.00 0.30 C ATOM 104 CE1 PHE A 8 -2.078 6.438 -0.811 1.00 0.36 C ATOM 105 CE2 PHE A 8 -3.543 4.643 -1.400 1.00 0.38 C ATOM 106 CZ PHE A 8 -2.612 5.195 -0.540 1.00 0.40 C ATOM 0 H PHE A 8 -3.757 5.368 -6.019 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.842 8.172 -5.713 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.877 8.408 -3.780 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.873 7.051 -4.267 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -2.054 8.098 -2.148 1.00 0.27 H new ATOM 0 HD2 PHE A 8 -4.665 4.900 -3.194 1.00 0.30 H new ATOM 0 HE1 PHE A 8 -1.351 6.873 -0.141 1.00 0.36 H new ATOM 0 HE2 PHE A 8 -3.962 3.670 -1.190 1.00 0.38 H new ATOM 0 HZ PHE A 8 -2.303 4.654 0.342 1.00 0.40 H new ATOM 116 N LEU A 9 -0.615 7.454 -5.186 1.00 0.18 N ATOM 117 CA LEU A 9 0.769 7.086 -4.961 1.00 0.20 C ATOM 118 C LEU A 9 1.040 6.996 -3.465 1.00 0.20 C ATOM 119 O LEU A 9 0.519 7.787 -2.676 1.00 0.33 O ATOM 120 CB LEU A 9 1.681 8.128 -5.632 1.00 0.22 C ATOM 121 CG LEU A 9 3.167 7.760 -5.796 1.00 0.27 C ATOM 122 CD1 LEU A 9 3.937 7.963 -4.500 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.315 6.327 -6.283 1.00 0.37 C ATOM 0 H LEU A 9 -0.744 8.420 -5.487 1.00 0.18 H new ATOM 0 HA LEU A 9 0.975 6.109 -5.399 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.276 8.345 -6.620 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.623 9.050 -5.054 1.00 0.22 H new ATOM 0 HG LEU A 9 3.591 8.429 -6.545 1.00 0.27 H new ATOM 0 HD11 LEU A 9 4.982 7.694 -4.652 1.00 0.30 H new ATOM 0 HD12 LEU A 9 3.872 9.008 -4.198 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.510 7.333 -3.720 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.373 6.087 -6.392 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.862 5.648 -5.560 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.817 6.217 -7.246 1.00 0.37 H new ATOM 135 N SER A 10 1.857 6.040 -3.073 1.00 0.32 N ATOM 136 CA SER A 10 2.197 5.876 -1.680 1.00 0.32 C ATOM 137 C SER A 10 3.666 5.523 -1.543 1.00 0.28 C ATOM 138 O SER A 10 4.301 5.066 -2.498 1.00 0.29 O ATOM 139 CB SER A 10 1.320 4.800 -1.038 1.00 0.41 C ATOM 140 OG SER A 10 1.466 3.558 -1.701 1.00 1.10 O ATOM 0 H SER A 10 2.296 5.367 -3.701 1.00 0.32 H new ATOM 0 HA SER A 10 2.015 6.816 -1.160 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.588 4.688 0.013 1.00 0.41 H new ATOM 0 HB3 SER A 10 0.276 5.112 -1.069 1.00 0.41 H new ATOM 0 HG SER A 10 1.779 3.711 -2.617 1.00 1.10 H new ATOM 146 N ARG A 11 4.198 5.728 -0.356 1.00 0.28 N ATOM 147 CA ARG A 11 5.586 5.415 -0.088 1.00 0.30 C ATOM 148 C ARG A 11 5.694 4.659 1.204 1.00 0.21 C ATOM 149 O ARG A 11 4.982 4.934 2.168 1.00 0.21 O ATOM 150 CB ARG A 11 6.454 6.666 0.008 1.00 0.51 C ATOM 151 CG ARG A 11 6.471 7.503 -1.256 1.00 0.99 C ATOM 152 CD ARG A 11 7.569 7.044 -2.194 1.00 1.00 C ATOM 153 NE ARG A 11 8.899 7.348 -1.660 1.00 1.28 N ATOM 154 CZ ARG A 11 9.949 7.666 -2.413 1.00 1.70 C ATOM 155 NH1 ARG A 11 9.826 7.724 -3.734 1.00 1.99 N ATOM 156 NH2 ARG A 11 11.117 7.945 -1.844 1.00 2.46 N ATOM 0 H ARG A 11 3.689 6.111 0.440 1.00 0.28 H new ATOM 0 HA ARG A 11 5.945 4.813 -0.923 1.00 0.30 H new ATOM 0 HB2 ARG A 11 6.097 7.281 0.834 1.00 0.51 H new ATOM 0 HB3 ARG A 11 7.475 6.370 0.249 1.00 0.51 H new ATOM 0 HG2 ARG A 11 5.506 7.432 -1.757 1.00 0.99 H new ATOM 0 HG3 ARG A 11 6.621 8.552 -1.000 1.00 0.99 H new ATOM 0 HD2 ARG A 11 7.480 5.970 -2.361 1.00 1.00 H new ATOM 0 HD3 ARG A 11 7.446 7.528 -3.163 1.00 1.00 H new ATOM 0 HE ARG A 11 9.028 7.314 -0.649 1.00 1.28 H new ATOM 0 HH11 ARG A 11 8.926 7.525 -4.172 1.00 1.99 H new ATOM 0 HH12 ARG A 11 10.631 7.968 -4.311 1.00 1.99 H new ATOM 0 HH21 ARG A 11 11.210 7.916 -0.829 1.00 2.46 H new ATOM 0 HH22 ARG A 11 11.921 8.189 -2.423 1.00 2.46 H new ATOM 170 N HIS A 12 6.541 3.671 1.195 1.00 0.25 N ATOM 171 CA HIS A 12 6.918 2.987 2.402 1.00 0.32 C ATOM 172 C HIS A 12 8.429 3.092 2.530 1.00 0.32 C ATOM 173 O HIS A 12 9.076 3.648 1.651 1.00 0.36 O ATOM 174 CB HIS A 12 6.477 1.520 2.355 1.00 0.36 C ATOM 175 CG HIS A 12 4.996 1.301 2.219 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.248 0.627 3.158 1.00 0.89 N ATOM 177 CD2 HIS A 12 4.137 1.621 1.221 1.00 0.41 C ATOM 178 CE1 HIS A 12 3.003 0.540 2.747 1.00 0.86 C ATOM 179 NE2 HIS A 12 2.903 1.134 1.573 1.00 0.51 N ATOM 0 H HIS A 12 6.991 3.315 0.352 1.00 0.25 H new ATOM 0 HA HIS A 12 6.430 3.440 3.265 1.00 0.32 H new ATOM 0 HB2 HIS A 12 6.978 1.033 1.519 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.819 1.025 3.264 1.00 0.36 H new ATOM 0 HD2 HIS A 12 4.379 2.159 0.316 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.196 0.062 3.281 1.00 0.86 H new ATOM 0 HE2 HIS A 12 2.050 1.217 1.019 1.00 0.51 H new ATOM 188 N SER A 13 8.987 2.605 3.613 1.00 0.32 N ATOM 189 CA SER A 13 10.440 2.539 3.730 1.00 0.35 C ATOM 190 C SER A 13 10.860 1.293 4.491 1.00 0.43 C ATOM 191 O SER A 13 10.310 1.015 5.548 1.00 0.91 O ATOM 192 CB SER A 13 10.978 3.789 4.430 1.00 0.68 C ATOM 193 OG SER A 13 12.396 3.787 4.477 1.00 1.70 O ATOM 0 H SER A 13 8.473 2.251 4.420 1.00 0.32 H new ATOM 0 HA SER A 13 10.861 2.491 2.726 1.00 0.35 H new ATOM 0 HB2 SER A 13 10.631 4.679 3.905 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.579 3.841 5.443 1.00 0.68 H new ATOM 0 HG SER A 13 12.753 3.901 3.572 1.00 1.70 H new ATOM 199 N MET A 14 11.852 0.576 3.944 1.00 0.27 N ATOM 200 CA MET A 14 12.382 -0.676 4.519 1.00 0.36 C ATOM 201 C MET A 14 11.284 -1.618 5.024 1.00 0.33 C ATOM 202 O MET A 14 10.809 -2.491 4.298 1.00 0.40 O ATOM 203 CB MET A 14 13.352 -0.351 5.659 1.00 0.56 C ATOM 204 CG MET A 14 14.384 0.700 5.289 1.00 1.35 C ATOM 205 SD MET A 14 15.493 1.106 6.648 1.00 1.76 S ATOM 206 CE MET A 14 16.371 2.499 5.943 1.00 2.75 C ATOM 0 H MET A 14 12.317 0.850 3.079 1.00 0.27 H new ATOM 0 HA MET A 14 12.901 -1.199 3.716 1.00 0.36 H new ATOM 0 HB2 MET A 14 12.784 -0.004 6.522 1.00 0.56 H new ATOM 0 HB3 MET A 14 13.865 -1.264 5.961 1.00 0.56 H new ATOM 0 HG2 MET A 14 14.971 0.343 4.443 1.00 1.35 H new ATOM 0 HG3 MET A 14 13.872 1.605 4.962 1.00 1.35 H new ATOM 0 HE1 MET A 14 17.347 2.592 6.419 1.00 2.75 H new ATOM 0 HE2 MET A 14 16.503 2.342 4.872 1.00 2.75 H new ATOM 0 HE3 MET A 14 15.798 3.412 6.108 1.00 2.75 H new ATOM 216 N ASP A 15 10.878 -1.399 6.268 1.00 0.36 N ATOM 217 CA ASP A 15 9.865 -2.211 6.943 1.00 0.41 C ATOM 218 C ASP A 15 8.479 -1.983 6.328 1.00 0.34 C ATOM 219 O ASP A 15 7.521 -2.687 6.632 1.00 0.41 O ATOM 220 CB ASP A 15 9.877 -1.844 8.434 1.00 0.56 C ATOM 221 CG ASP A 15 8.740 -2.443 9.232 1.00 1.18 C ATOM 222 OD1 ASP A 15 8.633 -3.684 9.293 1.00 2.07 O ATOM 223 OD2 ASP A 15 7.956 -1.663 9.818 1.00 1.49 O ATOM 0 H ASP A 15 11.246 -0.644 6.847 1.00 0.36 H new ATOM 0 HA ASP A 15 10.094 -3.270 6.821 1.00 0.41 H new ATOM 0 HB2 ASP A 15 10.822 -2.170 8.869 1.00 0.56 H new ATOM 0 HB3 ASP A 15 9.840 -0.759 8.529 1.00 0.56 H new ATOM 228 N MET A 16 8.406 -0.964 5.474 1.00 0.29 N ATOM 229 CA MET A 16 7.215 -0.598 4.707 1.00 0.35 C ATOM 230 C MET A 16 5.998 -0.341 5.584 1.00 0.37 C ATOM 231 O MET A 16 4.922 -0.883 5.345 1.00 0.69 O ATOM 232 CB MET A 16 6.866 -1.586 3.571 1.00 0.49 C ATOM 233 CG MET A 16 6.554 -3.013 3.978 1.00 0.67 C ATOM 234 SD MET A 16 5.628 -3.891 2.700 1.00 0.73 S ATOM 235 CE MET A 16 6.593 -3.507 1.239 1.00 0.48 C ATOM 0 H MET A 16 9.199 -0.350 5.290 1.00 0.29 H new ATOM 0 HA MET A 16 7.491 0.342 4.230 1.00 0.35 H new ATOM 0 HB2 MET A 16 6.006 -1.191 3.030 1.00 0.49 H new ATOM 0 HB3 MET A 16 7.701 -1.607 2.871 1.00 0.49 H new ATOM 0 HG2 MET A 16 7.484 -3.544 4.182 1.00 0.67 H new ATOM 0 HG3 MET A 16 5.980 -3.009 4.904 1.00 0.67 H new ATOM 0 HE1 MET A 16 6.515 -4.327 0.525 1.00 0.48 H new ATOM 0 HE2 MET A 16 6.215 -2.592 0.783 1.00 0.48 H new ATOM 0 HE3 MET A 16 7.637 -3.368 1.519 1.00 0.48 H new ATOM 245 N LYS A 17 6.155 0.530 6.569 1.00 0.31 N ATOM 246 CA LYS A 17 5.023 0.962 7.367 1.00 0.31 C ATOM 247 C LYS A 17 4.098 1.881 6.586 1.00 0.27 C ATOM 248 O LYS A 17 2.952 1.530 6.355 1.00 0.29 O ATOM 249 CB LYS A 17 5.524 1.678 8.613 1.00 0.42 C ATOM 250 CG LYS A 17 5.926 0.711 9.690 1.00 0.59 C ATOM 251 CD LYS A 17 6.275 1.403 10.995 1.00 0.70 C ATOM 252 CE LYS A 17 7.728 1.847 11.022 1.00 0.98 C ATOM 253 NZ LYS A 17 8.662 0.689 11.120 1.00 1.40 N ATOM 0 H LYS A 17 7.048 0.947 6.832 1.00 0.31 H new ATOM 0 HA LYS A 17 4.452 0.076 7.646 1.00 0.31 H new ATOM 0 HB2 LYS A 17 6.376 2.307 8.353 1.00 0.42 H new ATOM 0 HB3 LYS A 17 4.744 2.339 8.991 1.00 0.42 H new ATOM 0 HG2 LYS A 17 5.112 0.007 9.863 1.00 0.59 H new ATOM 0 HG3 LYS A 17 6.784 0.130 9.350 1.00 0.59 H new ATOM 0 HD2 LYS A 17 5.627 2.268 11.133 1.00 0.70 H new ATOM 0 HD3 LYS A 17 6.085 0.726 11.828 1.00 0.70 H new ATOM 0 HE2 LYS A 17 7.950 2.417 10.120 1.00 0.98 H new ATOM 0 HE3 LYS A 17 7.888 2.515 11.869 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 9.487 0.855 10.509 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 8.978 0.580 12.105 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 8.174 -0.177 10.815 1.00 1.40 H new ATOM 267 N PHE A 18 4.646 3.012 6.135 1.00 0.29 N ATOM 268 CA PHE A 18 3.922 4.048 5.371 1.00 0.30 C ATOM 269 C PHE A 18 4.572 5.404 5.656 1.00 0.38 C ATOM 270 O PHE A 18 4.360 6.001 6.708 1.00 0.68 O ATOM 271 CB PHE A 18 2.413 4.115 5.701 1.00 0.27 C ATOM 272 CG PHE A 18 1.510 3.630 4.580 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.358 4.364 3.399 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.812 2.436 4.705 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.534 3.912 2.386 1.00 0.46 C ATOM 276 CE2 PHE A 18 -0.010 1.986 3.691 1.00 0.38 C ATOM 277 CZ PHE A 18 -0.142 2.754 2.513 1.00 0.44 C ATOM 0 H PHE A 18 5.627 3.244 6.291 1.00 0.29 H new ATOM 0 HA PHE A 18 3.992 3.786 4.315 1.00 0.30 H new ATOM 0 HB2 PHE A 18 2.220 3.518 6.592 1.00 0.27 H new ATOM 0 HB3 PHE A 18 2.151 5.145 5.944 1.00 0.27 H new ATOM 0 HD1 PHE A 18 1.891 5.295 3.277 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.913 1.852 5.608 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.431 4.494 1.482 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.547 1.055 3.798 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.784 2.413 1.715 1.00 0.44 H new ATOM 287 N THR A 19 5.395 5.848 4.725 1.00 0.21 N ATOM 288 CA THR A 19 6.175 7.074 4.878 1.00 0.23 C ATOM 289 C THR A 19 5.633 8.216 4.020 1.00 0.22 C ATOM 290 O THR A 19 5.995 9.374 4.219 1.00 0.26 O ATOM 291 CB THR A 19 7.656 6.833 4.534 1.00 0.30 C ATOM 292 OG1 THR A 19 7.759 6.102 3.305 1.00 0.63 O ATOM 293 CG2 THR A 19 8.354 6.066 5.646 1.00 0.43 C ATOM 0 H THR A 19 5.546 5.371 3.836 1.00 0.21 H new ATOM 0 HA THR A 19 6.089 7.366 5.925 1.00 0.23 H new ATOM 0 HB THR A 19 8.143 7.802 4.424 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.704 5.953 3.091 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.399 5.908 5.379 1.00 0.43 H new ATOM 0 HG22 THR A 19 8.298 6.637 6.573 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.866 5.101 5.785 1.00 0.43 H new ATOM 301 N TYR A 20 4.765 7.892 3.068 1.00 0.21 N ATOM 302 CA TYR A 20 4.079 8.930 2.289 1.00 0.23 C ATOM 303 C TYR A 20 2.752 8.417 1.762 1.00 0.21 C ATOM 304 O TYR A 20 2.616 7.236 1.427 1.00 0.22 O ATOM 305 CB TYR A 20 4.939 9.442 1.132 1.00 0.31 C ATOM 306 CG TYR A 20 4.306 10.554 0.321 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.369 11.874 0.744 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.652 10.279 -0.877 1.00 0.46 C ATOM 309 CE1 TYR A 20 3.796 12.888 0.001 1.00 0.60 C ATOM 310 CE2 TYR A 20 3.080 11.287 -1.626 1.00 0.57 C ATOM 311 CZ TYR A 20 3.154 12.590 -1.183 1.00 0.64 C ATOM 312 OH TYR A 20 2.591 13.600 -1.932 1.00 0.77 O ATOM 0 H TYR A 20 4.518 6.935 2.815 1.00 0.21 H new ATOM 0 HA TYR A 20 3.897 9.767 2.964 1.00 0.23 H new ATOM 0 HB2 TYR A 20 5.889 9.797 1.532 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.165 8.608 0.467 1.00 0.31 H new ATOM 0 HD1 TYR A 20 4.874 12.112 1.668 1.00 0.48 H new ATOM 0 HD2 TYR A 20 3.591 9.259 -1.226 1.00 0.46 H new ATOM 0 HE1 TYR A 20 3.850 13.910 0.346 1.00 0.60 H new ATOM 0 HE2 TYR A 20 2.577 11.056 -2.554 1.00 0.57 H new ATOM 0 HH TYR A 20 2.179 13.220 -2.736 1.00 0.77 H new ATOM 322 N CYS A 21 1.779 9.310 1.706 1.00 0.19 N ATOM 323 CA CYS A 21 0.464 8.990 1.196 1.00 0.19 C ATOM 324 C CYS A 21 -0.056 10.137 0.350 1.00 0.18 C ATOM 325 O CYS A 21 0.065 11.302 0.728 1.00 0.21 O ATOM 326 CB CYS A 21 -0.491 8.736 2.356 1.00 0.20 C ATOM 327 SG CYS A 21 -0.088 7.273 3.325 1.00 0.34 S ATOM 0 H CYS A 21 1.882 10.277 2.014 1.00 0.19 H new ATOM 0 HA CYS A 21 0.531 8.093 0.580 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.490 9.606 3.012 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.503 8.633 1.965 1.00 0.20 H new ATOM 0 HG CYS A 21 0.297 6.319 2.531 1.00 0.34 H new ATOM 333 N ASP A 22 -0.611 9.808 -0.798 1.00 0.17 N ATOM 334 CA ASP A 22 -1.236 10.810 -1.648 1.00 0.18 C ATOM 335 C ASP A 22 -2.565 11.266 -1.047 1.00 0.18 C ATOM 336 O ASP A 22 -3.200 10.527 -0.298 1.00 0.20 O ATOM 337 CB ASP A 22 -1.445 10.258 -3.055 1.00 0.20 C ATOM 338 CG ASP A 22 -2.170 11.230 -3.964 1.00 0.27 C ATOM 339 OD1 ASP A 22 -1.802 12.421 -3.973 1.00 0.67 O ATOM 340 OD2 ASP A 22 -3.118 10.810 -4.659 1.00 0.55 O ATOM 0 H ASP A 22 -0.644 8.858 -1.167 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.574 11.673 -1.711 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.477 10.012 -3.492 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -2.013 9.330 -2.996 1.00 0.20 H new ATOM 345 N ASP A 23 -2.983 12.474 -1.406 1.00 0.20 N ATOM 346 CA ASP A 23 -4.178 13.106 -0.840 1.00 0.23 C ATOM 347 C ASP A 23 -5.425 12.252 -1.055 1.00 0.21 C ATOM 348 O ASP A 23 -6.316 12.206 -0.206 1.00 0.23 O ATOM 349 CB ASP A 23 -4.377 14.478 -1.484 1.00 0.31 C ATOM 350 CG ASP A 23 -5.606 15.200 -0.971 1.00 1.33 C ATOM 351 OD1 ASP A 23 -5.583 15.658 0.193 1.00 1.97 O ATOM 352 OD2 ASP A 23 -6.601 15.295 -1.718 1.00 2.12 O ATOM 0 H ASP A 23 -2.504 13.048 -2.100 1.00 0.20 H new ATOM 0 HA ASP A 23 -4.029 13.212 0.235 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -3.497 15.093 -1.296 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -4.457 14.358 -2.564 1.00 0.31 H new ATOM 357 N ARG A 24 -5.455 11.554 -2.184 1.00 0.20 N ATOM 358 CA ARG A 24 -6.606 10.750 -2.600 1.00 0.21 C ATOM 359 C ARG A 24 -6.974 9.677 -1.575 1.00 0.19 C ATOM 360 O ARG A 24 -8.109 9.194 -1.541 1.00 0.21 O ATOM 361 CB ARG A 24 -6.306 10.101 -3.945 1.00 0.24 C ATOM 362 CG ARG A 24 -7.510 9.435 -4.584 1.00 0.66 C ATOM 363 CD ARG A 24 -7.296 9.181 -6.061 1.00 1.23 C ATOM 364 NE ARG A 24 -7.778 10.301 -6.868 1.00 1.64 N ATOM 365 CZ ARG A 24 -7.243 10.690 -8.023 1.00 2.49 C ATOM 366 NH1 ARG A 24 -6.151 10.094 -8.495 1.00 3.22 N ATOM 367 NH2 ARG A 24 -7.798 11.697 -8.690 1.00 2.98 N ATOM 0 H ARG A 24 -4.678 11.527 -2.844 1.00 0.20 H new ATOM 0 HA ARG A 24 -7.463 11.418 -2.683 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -5.918 10.859 -4.625 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -5.519 9.358 -3.812 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -7.713 8.491 -4.079 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -8.389 10.065 -4.447 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -6.235 9.020 -6.255 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -7.815 8.269 -6.354 1.00 1.23 H new ATOM 0 HE ARG A 24 -8.583 10.822 -6.520 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -5.718 9.333 -7.971 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -5.747 10.398 -9.381 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -8.625 12.163 -8.316 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -7.397 12.004 -9.576 1.00 2.98 H new ATOM 381 N ILE A 25 -6.015 9.303 -0.744 1.00 0.17 N ATOM 382 CA ILE A 25 -6.230 8.241 0.234 1.00 0.18 C ATOM 383 C ILE A 25 -7.404 8.575 1.169 1.00 0.19 C ATOM 384 O ILE A 25 -8.106 7.679 1.635 1.00 0.21 O ATOM 385 CB ILE A 25 -4.954 7.958 1.063 1.00 0.19 C ATOM 386 CG1 ILE A 25 -5.115 6.661 1.852 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.645 9.116 2.003 1.00 0.19 C ATOM 388 CD1 ILE A 25 -3.843 6.199 2.520 1.00 0.76 C ATOM 0 H ILE A 25 -5.082 9.715 -0.724 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.476 7.339 -0.327 1.00 0.18 H new ATOM 0 HB ILE A 25 -4.116 7.850 0.374 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -5.884 6.800 2.611 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.468 5.878 1.181 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.744 8.891 2.573 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.489 10.025 1.422 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.481 9.262 2.687 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -4.032 5.272 3.062 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -3.077 6.027 1.764 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.500 6.963 3.217 1.00 0.76 H new ATOM 400 N THR A 26 -7.607 9.867 1.421 1.00 0.20 N ATOM 401 CA THR A 26 -8.747 10.335 2.215 1.00 0.22 C ATOM 402 C THR A 26 -10.081 9.830 1.652 1.00 0.25 C ATOM 403 O THR A 26 -11.043 9.627 2.394 1.00 0.31 O ATOM 404 CB THR A 26 -8.779 11.873 2.317 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.688 12.459 1.009 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.642 12.383 3.193 1.00 0.26 C ATOM 0 H THR A 26 -6.996 10.612 1.087 1.00 0.20 H new ATOM 0 HA THR A 26 -8.613 9.921 3.214 1.00 0.22 H new ATOM 0 HB THR A 26 -9.725 12.163 2.775 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.758 12.430 0.702 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.686 13.471 3.249 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.738 11.963 4.194 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.687 12.080 2.763 1.00 0.26 H new ATOM 414 N GLU A 27 -10.126 9.621 0.341 1.00 0.25 N ATOM 415 CA GLU A 27 -11.310 9.075 -0.316 1.00 0.30 C ATOM 416 C GLU A 27 -11.292 7.553 -0.275 1.00 0.33 C ATOM 417 O GLU A 27 -12.331 6.904 -0.153 1.00 0.43 O ATOM 418 CB GLU A 27 -11.359 9.496 -1.786 1.00 0.38 C ATOM 419 CG GLU A 27 -11.413 10.990 -2.027 1.00 0.55 C ATOM 420 CD GLU A 27 -11.411 11.311 -3.507 1.00 1.43 C ATOM 421 OE1 GLU A 27 -12.420 11.023 -4.185 1.00 1.63 O ATOM 422 OE2 GLU A 27 -10.404 11.866 -3.998 1.00 2.28 O ATOM 0 H GLU A 27 -9.352 9.823 -0.292 1.00 0.25 H new ATOM 0 HA GLU A 27 -12.180 9.460 0.216 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.481 9.094 -2.292 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.232 9.037 -2.250 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -12.310 11.403 -1.565 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -10.559 11.469 -1.548 1.00 0.55 H new ATOM 429 N LEU A 28 -10.096 6.994 -0.378 1.00 0.27 N ATOM 430 CA LEU A 28 -9.936 5.574 -0.652 1.00 0.30 C ATOM 431 C LEU A 28 -9.918 4.744 0.625 1.00 0.31 C ATOM 432 O LEU A 28 -10.744 3.852 0.808 1.00 0.35 O ATOM 433 CB LEU A 28 -8.647 5.348 -1.445 1.00 0.30 C ATOM 434 CG LEU A 28 -8.497 6.229 -2.689 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.211 5.900 -3.426 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.698 6.069 -3.610 1.00 0.32 C ATOM 0 H LEU A 28 -9.219 7.504 -0.276 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.795 5.247 -1.239 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.796 5.525 -0.787 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.603 4.302 -1.750 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.451 7.269 -2.366 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -7.123 6.537 -4.306 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.360 6.072 -2.767 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.225 4.855 -3.734 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.571 6.703 -4.487 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.780 5.028 -3.924 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.605 6.361 -3.080 1.00 0.32 H new ATOM 448 N ILE A 29 -8.980 5.048 1.509 1.00 0.28 N ATOM 449 CA ILE A 29 -8.787 4.264 2.721 1.00 0.30 C ATOM 450 C ILE A 29 -9.425 4.981 3.912 1.00 0.29 C ATOM 451 O ILE A 29 -9.488 4.458 5.022 1.00 0.33 O ATOM 452 CB ILE A 29 -7.278 4.016 2.980 1.00 0.30 C ATOM 453 CG1 ILE A 29 -6.585 3.540 1.697 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.072 2.996 4.088 1.00 0.34 C ATOM 455 CD1 ILE A 29 -7.161 2.264 1.120 1.00 1.10 C ATOM 0 H ILE A 29 -8.338 5.835 1.410 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.271 3.296 2.591 1.00 0.30 H new ATOM 0 HB ILE A 29 -6.835 4.960 3.296 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -6.652 4.328 0.947 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -5.526 3.387 1.904 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.005 2.842 4.247 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -7.527 3.362 5.008 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -7.536 2.051 3.804 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -6.616 1.995 0.215 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -7.069 1.460 1.851 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -8.213 2.416 0.878 1.00 1.10 H new ATOM 467 N GLY A 30 -9.917 6.184 3.661 1.00 0.27 N ATOM 468 CA GLY A 30 -10.612 6.941 4.685 1.00 0.29 C ATOM 469 C GLY A 30 -9.689 7.706 5.617 1.00 0.28 C ATOM 470 O GLY A 30 -10.117 8.672 6.248 1.00 0.32 O ATOM 0 H GLY A 30 -9.847 6.655 2.759 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.292 7.645 4.204 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.224 6.259 5.275 1.00 0.29 H new ATOM 474 N TYR A 31 -8.432 7.291 5.721 1.00 0.28 N ATOM 475 CA TYR A 31 -7.471 8.013 6.544 1.00 0.33 C ATOM 476 C TYR A 31 -6.933 9.201 5.767 1.00 0.34 C ATOM 477 O TYR A 31 -7.335 9.437 4.634 1.00 0.43 O ATOM 478 CB TYR A 31 -6.299 7.119 6.956 1.00 0.38 C ATOM 479 CG TYR A 31 -6.675 5.887 7.748 1.00 0.37 C ATOM 480 CD1 TYR A 31 -6.961 5.968 9.103 1.00 0.45 C ATOM 481 CD2 TYR A 31 -6.716 4.640 7.142 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.278 4.838 9.833 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.037 3.505 7.863 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.316 3.610 9.209 1.00 0.46 C ATOM 485 OH TYR A 31 -7.628 2.481 9.932 1.00 0.53 O ATOM 0 H TYR A 31 -8.058 6.467 5.251 1.00 0.28 H new ATOM 0 HA TYR A 31 -7.985 8.345 7.446 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -5.769 6.805 6.057 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.601 7.712 7.547 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -6.936 6.929 9.595 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.493 4.554 6.089 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -7.495 4.917 10.888 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.069 2.542 7.375 1.00 0.43 H new ATOM 0 HH TYR A 31 -7.612 1.699 9.341 1.00 0.53 H new ATOM 495 N HIS A 32 -6.012 9.940 6.359 1.00 0.31 N ATOM 496 CA HIS A 32 -5.341 10.997 5.627 1.00 0.34 C ATOM 497 C HIS A 32 -3.851 10.719 5.544 1.00 0.23 C ATOM 498 O HIS A 32 -3.337 9.897 6.299 1.00 0.23 O ATOM 499 CB HIS A 32 -5.620 12.387 6.220 1.00 0.52 C ATOM 500 CG HIS A 32 -5.297 12.605 7.662 1.00 0.68 C ATOM 501 ND1 HIS A 32 -4.131 12.909 8.271 1.00 1.52 N flip ATOM 502 CD2 HIS A 32 -6.256 12.638 8.641 1.00 1.52 C flip ATOM 503 CE1 HIS A 32 -4.401 13.130 9.594 1.00 1.90 C flip ATOM 504 NE2 HIS A 32 -5.694 12.959 9.786 1.00 1.89 N flip ATOM 0 H HIS A 32 -5.716 9.830 7.329 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.749 11.006 4.616 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -5.061 13.119 5.637 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -6.678 12.606 6.077 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -7.306 12.433 8.495 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -3.679 13.398 10.351 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -6.180 13.059 10.677 1.00 1.89 H new ATOM 513 N PRO A 33 -3.141 11.373 4.611 1.00 0.24 N ATOM 514 CA PRO A 33 -1.702 11.172 4.435 1.00 0.27 C ATOM 515 C PRO A 33 -0.946 11.192 5.756 1.00 0.25 C ATOM 516 O PRO A 33 -0.216 10.257 6.074 1.00 0.29 O ATOM 517 CB PRO A 33 -1.287 12.347 3.558 1.00 0.34 C ATOM 518 CG PRO A 33 -2.500 12.655 2.751 1.00 0.33 C ATOM 519 CD PRO A 33 -3.680 12.338 3.630 1.00 0.29 C ATOM 0 HA PRO A 33 -1.476 10.199 3.999 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -0.982 13.203 4.160 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -0.441 12.088 2.921 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.510 13.702 2.448 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -2.523 12.059 1.839 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -4.066 13.232 4.119 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -4.502 11.909 3.057 1.00 0.29 H new ATOM 527 N GLU A 34 -1.204 12.214 6.563 1.00 0.25 N ATOM 528 CA GLU A 34 -0.481 12.402 7.816 1.00 0.30 C ATOM 529 C GLU A 34 -0.921 11.360 8.826 1.00 0.28 C ATOM 530 O GLU A 34 -0.281 11.166 9.858 1.00 0.32 O ATOM 531 CB GLU A 34 -0.735 13.792 8.395 1.00 0.37 C ATOM 532 CG GLU A 34 -0.650 14.905 7.376 1.00 1.01 C ATOM 533 CD GLU A 34 0.699 14.985 6.689 1.00 1.68 C ATOM 534 OE1 GLU A 34 1.660 15.483 7.318 1.00 2.14 O ATOM 535 OE2 GLU A 34 0.797 14.564 5.520 1.00 2.13 O ATOM 0 H GLU A 34 -1.909 12.926 6.372 1.00 0.25 H new ATOM 0 HA GLU A 34 0.584 12.297 7.608 1.00 0.30 H new ATOM 0 HB2 GLU A 34 -1.723 13.808 8.855 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.011 13.982 9.188 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -1.425 14.760 6.624 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -0.857 15.856 7.868 1.00 1.01 H new ATOM 542 N GLU A 35 -2.025 10.692 8.522 1.00 0.26 N ATOM 543 CA GLU A 35 -2.549 9.673 9.401 1.00 0.29 C ATOM 544 C GLU A 35 -1.736 8.399 9.257 1.00 0.29 C ATOM 545 O GLU A 35 -1.483 7.696 10.233 1.00 0.43 O ATOM 546 CB GLU A 35 -4.016 9.370 9.095 1.00 0.34 C ATOM 547 CG GLU A 35 -4.965 9.709 10.228 1.00 0.61 C ATOM 548 CD GLU A 35 -4.601 9.012 11.522 1.00 1.23 C ATOM 549 OE1 GLU A 35 -4.935 7.821 11.674 1.00 1.81 O ATOM 550 OE2 GLU A 35 -3.979 9.652 12.391 1.00 1.71 O ATOM 0 H GLU A 35 -2.570 10.842 7.673 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.480 10.048 10.422 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.314 9.927 8.206 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -4.115 8.311 8.856 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -4.963 10.787 10.388 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -5.979 9.430 9.943 1.00 0.61 H new ATOM 557 N LEU A 36 -1.329 8.098 8.029 1.00 0.27 N ATOM 558 CA LEU A 36 -0.584 6.874 7.774 1.00 0.29 C ATOM 559 C LEU A 36 0.910 7.069 7.989 1.00 0.32 C ATOM 560 O LEU A 36 1.645 6.103 8.174 1.00 0.46 O ATOM 561 CB LEU A 36 -0.835 6.334 6.370 1.00 0.29 C ATOM 562 CG LEU A 36 -2.204 5.697 6.166 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.238 6.756 5.853 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.150 4.646 5.072 1.00 0.29 C ATOM 0 H LEU A 36 -1.500 8.676 7.206 1.00 0.27 H new ATOM 0 HA LEU A 36 -0.948 6.141 8.494 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.719 7.150 5.656 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.068 5.595 6.137 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.496 5.201 7.091 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.210 6.284 5.710 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.296 7.464 6.680 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -2.954 7.284 4.943 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.138 4.204 4.943 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -1.835 5.110 4.137 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.438 3.869 5.349 1.00 0.29 H new ATOM 576 N LEU A 37 1.344 8.321 7.946 1.00 0.41 N ATOM 577 CA LEU A 37 2.765 8.632 7.963 1.00 0.48 C ATOM 578 C LEU A 37 3.453 8.208 9.255 1.00 0.60 C ATOM 579 O LEU A 37 3.490 8.950 10.236 1.00 1.27 O ATOM 580 CB LEU A 37 3.009 10.119 7.700 1.00 0.76 C ATOM 581 CG LEU A 37 2.595 10.620 6.319 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.347 11.889 5.961 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.816 9.550 5.268 1.00 0.94 C ATOM 0 H LEU A 37 0.733 9.136 7.899 1.00 0.41 H new ATOM 0 HA LEU A 37 3.209 8.049 7.156 1.00 0.48 H new ATOM 0 HB2 LEU A 37 2.471 10.696 8.452 1.00 0.76 H new ATOM 0 HB3 LEU A 37 4.070 10.325 7.839 1.00 0.76 H new ATOM 0 HG LEU A 37 1.530 10.851 6.347 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.037 12.229 4.973 1.00 0.77 H new ATOM 0 HD12 LEU A 37 3.127 12.662 6.697 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.418 11.688 5.956 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.514 9.930 4.292 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.871 9.279 5.241 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.222 8.670 5.514 1.00 0.94 H new ATOM 595 N GLY A 38 3.968 6.991 9.243 1.00 0.31 N ATOM 596 CA GLY A 38 4.806 6.518 10.320 1.00 0.44 C ATOM 597 C GLY A 38 4.093 5.522 11.195 1.00 0.42 C ATOM 598 O GLY A 38 4.334 5.454 12.399 1.00 0.54 O ATOM 0 H GLY A 38 3.817 6.314 8.495 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.704 6.059 9.906 1.00 0.44 H new ATOM 0 HA3 GLY A 38 5.131 7.365 10.925 1.00 0.44 H new ATOM 602 N ARG A 39 3.218 4.734 10.591 1.00 0.34 N ATOM 603 CA ARG A 39 2.448 3.756 11.343 1.00 0.37 C ATOM 604 C ARG A 39 2.588 2.385 10.714 1.00 0.35 C ATOM 605 O ARG A 39 2.909 2.280 9.534 1.00 0.48 O ATOM 606 CB ARG A 39 0.982 4.151 11.351 1.00 0.48 C ATOM 607 CG ARG A 39 0.368 4.073 9.972 1.00 0.48 C ATOM 608 CD ARG A 39 -1.087 4.529 9.973 1.00 0.69 C ATOM 609 NE ARG A 39 -1.898 3.873 11.002 1.00 1.38 N ATOM 610 CZ ARG A 39 -2.800 4.517 11.750 1.00 1.72 C ATOM 611 NH1 ARG A 39 -2.946 5.833 11.633 1.00 1.80 N ATOM 612 NH2 ARG A 39 -3.548 3.851 12.623 1.00 2.61 N ATOM 0 H ARG A 39 3.024 4.752 9.590 1.00 0.34 H new ATOM 0 HA ARG A 39 2.827 3.726 12.365 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.434 3.497 12.030 1.00 0.48 H new ATOM 0 HB3 ARG A 39 0.882 5.166 11.736 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.942 4.692 9.283 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.427 3.048 9.605 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.123 5.608 10.125 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.524 4.330 8.994 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.768 2.873 11.156 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -2.369 6.353 10.972 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -3.635 6.323 12.204 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -3.436 2.842 12.726 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -4.234 4.348 13.191 1.00 2.61 H new ATOM 626 N SER A 40 2.308 1.345 11.481 1.00 0.37 N ATOM 627 CA SER A 40 2.458 -0.013 10.990 1.00 0.43 C ATOM 628 C SER A 40 1.380 -0.330 9.961 1.00 0.39 C ATOM 629 O SER A 40 0.195 -0.401 10.293 1.00 0.43 O ATOM 630 CB SER A 40 2.398 -1.014 12.146 1.00 0.57 C ATOM 631 OG SER A 40 2.672 -2.332 11.696 1.00 1.23 O ATOM 0 H SER A 40 1.977 1.415 12.443 1.00 0.37 H new ATOM 0 HA SER A 40 3.433 -0.097 10.510 1.00 0.43 H new ATOM 0 HB2 SER A 40 3.119 -0.731 12.913 1.00 0.57 H new ATOM 0 HB3 SER A 40 1.411 -0.982 12.608 1.00 0.57 H new ATOM 0 HG SER A 40 2.629 -2.952 12.454 1.00 1.23 H new ATOM 637 N ALA A 41 1.798 -0.483 8.706 1.00 0.35 N ATOM 638 CA ALA A 41 0.893 -0.862 7.628 1.00 0.34 C ATOM 639 C ALA A 41 0.080 -2.090 8.002 1.00 0.33 C ATOM 640 O ALA A 41 -1.139 -2.077 7.898 1.00 0.33 O ATOM 641 CB ALA A 41 1.667 -1.134 6.345 1.00 0.35 C ATOM 0 H ALA A 41 2.765 -0.349 8.411 1.00 0.35 H new ATOM 0 HA ALA A 41 0.211 -0.028 7.464 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.972 -1.415 5.554 1.00 0.35 H new ATOM 0 HB2 ALA A 41 2.209 -0.236 6.050 1.00 0.35 H new ATOM 0 HB3 ALA A 41 2.375 -1.946 6.512 1.00 0.35 H new ATOM 647 N TYR A 42 0.773 -3.133 8.457 1.00 0.37 N ATOM 648 CA TYR A 42 0.163 -4.428 8.786 1.00 0.42 C ATOM 649 C TYR A 42 -1.046 -4.330 9.737 1.00 0.47 C ATOM 650 O TYR A 42 -1.774 -5.309 9.898 1.00 0.55 O ATOM 651 CB TYR A 42 1.213 -5.360 9.396 1.00 0.47 C ATOM 652 CG TYR A 42 2.396 -5.631 8.492 1.00 0.54 C ATOM 653 CD1 TYR A 42 2.371 -6.679 7.582 1.00 0.72 C ATOM 654 CD2 TYR A 42 3.534 -4.834 8.538 1.00 0.67 C ATOM 655 CE1 TYR A 42 3.442 -6.929 6.747 1.00 0.90 C ATOM 656 CE2 TYR A 42 4.611 -5.077 7.702 1.00 0.84 C ATOM 657 CZ TYR A 42 4.587 -6.135 6.847 1.00 0.91 C ATOM 658 OH TYR A 42 5.624 -6.374 5.970 1.00 1.14 O ATOM 0 H TYR A 42 1.781 -3.107 8.610 1.00 0.37 H new ATOM 0 HA TYR A 42 -0.214 -4.828 7.845 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.573 -4.924 10.328 1.00 0.47 H new ATOM 0 HB3 TYR A 42 0.739 -6.308 9.650 1.00 0.47 H new ATOM 0 HD1 TYR A 42 1.497 -7.311 7.526 1.00 0.72 H new ATOM 0 HD2 TYR A 42 3.579 -4.012 9.237 1.00 0.67 H new ATOM 0 HE1 TYR A 42 3.395 -7.730 6.024 1.00 0.90 H new ATOM 0 HE2 TYR A 42 5.472 -4.425 7.729 1.00 0.84 H new ATOM 0 HH TYR A 42 6.356 -5.748 6.151 1.00 1.14 H new ATOM 668 N GLU A 43 -1.277 -3.170 10.353 1.00 0.48 N ATOM 669 CA GLU A 43 -2.402 -2.995 11.272 1.00 0.56 C ATOM 670 C GLU A 43 -3.725 -2.875 10.513 1.00 0.57 C ATOM 671 O GLU A 43 -4.804 -2.984 11.097 1.00 1.01 O ATOM 672 CB GLU A 43 -2.195 -1.741 12.122 1.00 0.65 C ATOM 673 CG GLU A 43 -1.009 -1.827 13.063 1.00 0.95 C ATOM 674 CD GLU A 43 -1.214 -2.846 14.160 1.00 1.72 C ATOM 675 OE1 GLU A 43 -2.028 -2.594 15.066 1.00 1.89 O ATOM 676 OE2 GLU A 43 -0.560 -3.909 14.114 1.00 2.57 O ATOM 0 H GLU A 43 -0.700 -2.338 10.232 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.447 -3.875 11.914 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -2.061 -0.884 11.462 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -3.097 -1.556 12.705 1.00 0.65 H new ATOM 0 HG2 GLU A 43 -0.116 -2.085 12.494 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -0.831 -0.848 13.509 1.00 0.95 H new ATOM 683 N PHE A 44 -3.626 -2.655 9.211 1.00 0.40 N ATOM 684 CA PHE A 44 -4.795 -2.415 8.374 1.00 0.38 C ATOM 685 C PHE A 44 -4.502 -2.808 6.936 1.00 0.30 C ATOM 686 O PHE A 44 -5.377 -2.753 6.067 1.00 0.40 O ATOM 687 CB PHE A 44 -5.194 -0.935 8.438 1.00 0.48 C ATOM 688 CG PHE A 44 -4.088 0.015 8.057 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.190 0.474 9.008 1.00 0.50 C ATOM 690 CD2 PHE A 44 -3.946 0.448 6.746 1.00 0.62 C ATOM 691 CE1 PHE A 44 -2.174 1.345 8.661 1.00 0.56 C ATOM 692 CE2 PHE A 44 -2.931 1.319 6.395 1.00 0.77 C ATOM 693 CZ PHE A 44 -2.048 1.770 7.352 1.00 0.70 C ATOM 0 H PHE A 44 -2.740 -2.637 8.706 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.620 -3.023 8.745 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -6.045 -0.770 7.777 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.526 -0.702 9.450 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -3.285 0.147 10.033 1.00 0.50 H new ATOM 0 HD2 PHE A 44 -4.636 0.101 5.991 1.00 0.62 H new ATOM 0 HE1 PHE A 44 -1.480 1.693 9.412 1.00 0.56 H new ATOM 0 HE2 PHE A 44 -2.830 1.646 5.371 1.00 0.77 H new ATOM 0 HZ PHE A 44 -1.259 2.455 7.079 1.00 0.70 H new ATOM 703 N TYR A 45 -3.253 -3.167 6.679 1.00 0.29 N ATOM 704 CA TYR A 45 -2.819 -3.660 5.387 1.00 0.28 C ATOM 705 C TYR A 45 -3.462 -5.002 5.059 1.00 0.30 C ATOM 706 O TYR A 45 -2.783 -6.031 5.047 1.00 0.37 O ATOM 707 CB TYR A 45 -1.296 -3.822 5.389 1.00 0.34 C ATOM 708 CG TYR A 45 -0.600 -3.208 4.196 1.00 0.42 C ATOM 709 CD1 TYR A 45 -1.098 -2.062 3.596 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.558 -3.771 3.676 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.464 -1.492 2.510 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.202 -3.205 2.592 1.00 0.68 C ATOM 713 CZ TYR A 45 0.687 -2.067 2.012 1.00 0.68 C ATOM 714 OH TYR A 45 1.325 -1.496 0.933 1.00 0.85 O ATOM 0 H TYR A 45 -2.506 -3.122 7.372 1.00 0.29 H new ATOM 0 HA TYR A 45 -3.124 -2.938 4.630 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.896 -3.373 6.298 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -1.056 -4.885 5.427 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -1.997 -1.607 3.985 1.00 0.47 H new ATOM 0 HD2 TYR A 45 0.962 -4.666 4.126 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -0.867 -0.601 2.053 1.00 0.61 H new ATOM 0 HE2 TYR A 45 2.104 -3.653 2.202 1.00 0.68 H new ATOM 0 HH TYR A 45 1.281 -0.520 1.006 1.00 0.85 H new ATOM 724 N HIS A 46 -4.776 -4.971 4.806 1.00 0.28 N ATOM 725 CA HIS A 46 -5.538 -6.140 4.349 1.00 0.31 C ATOM 726 C HIS A 46 -5.734 -7.116 5.507 1.00 0.37 C ATOM 727 O HIS A 46 -4.785 -7.462 6.191 1.00 0.57 O ATOM 728 CB HIS A 46 -4.831 -6.825 3.157 1.00 0.37 C ATOM 729 CG HIS A 46 -4.094 -5.854 2.281 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.721 -5.849 2.161 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.529 -4.781 1.591 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.349 -4.807 1.441 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.427 -4.143 1.082 1.00 0.43 N ATOM 0 H HIS A 46 -5.344 -4.130 4.913 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.518 -5.809 4.004 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -4.131 -7.570 3.535 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.571 -7.358 2.559 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.558 -4.479 1.462 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.332 -4.544 1.189 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.441 -3.293 0.518 1.00 0.43 H new ATOM 742 N ALA A 47 -6.965 -7.544 5.753 1.00 0.39 N ATOM 743 CA ALA A 47 -7.216 -8.440 6.880 1.00 0.44 C ATOM 744 C ALA A 47 -6.932 -9.893 6.516 1.00 0.44 C ATOM 745 O ALA A 47 -6.062 -10.531 7.105 1.00 0.48 O ATOM 746 CB ALA A 47 -8.645 -8.292 7.371 1.00 0.57 C ATOM 0 H ALA A 47 -7.788 -7.295 5.205 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.535 -8.157 7.682 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.813 -8.967 8.210 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -8.815 -7.264 7.692 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -9.335 -8.538 6.564 1.00 0.57 H new ATOM 752 N LEU A 48 -7.674 -10.421 5.555 1.00 0.48 N ATOM 753 CA LEU A 48 -7.442 -11.776 5.072 1.00 0.53 C ATOM 754 C LEU A 48 -6.400 -11.815 3.956 1.00 0.48 C ATOM 755 O LEU A 48 -5.834 -12.868 3.669 1.00 0.52 O ATOM 756 CB LEU A 48 -8.755 -12.436 4.612 1.00 0.67 C ATOM 757 CG LEU A 48 -9.588 -11.658 3.589 1.00 0.76 C ATOM 758 CD1 LEU A 48 -10.551 -12.594 2.882 1.00 1.20 C ATOM 759 CD2 LEU A 48 -10.371 -10.537 4.259 1.00 0.99 C ATOM 0 H LEU A 48 -8.442 -9.933 5.093 1.00 0.48 H new ATOM 0 HA LEU A 48 -7.046 -12.348 5.911 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -8.516 -13.411 4.187 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -9.374 -12.614 5.491 1.00 0.67 H new ATOM 0 HG LEU A 48 -8.904 -11.219 2.863 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -11.139 -12.031 2.157 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -9.989 -13.373 2.367 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -11.218 -13.050 3.614 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -10.953 -10.001 3.509 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -11.043 -10.959 5.007 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -9.678 -9.847 4.741 1.00 0.99 H new ATOM 771 N ASP A 49 -6.130 -10.669 3.343 1.00 0.45 N ATOM 772 CA ASP A 49 -5.163 -10.608 2.241 1.00 0.45 C ATOM 773 C ASP A 49 -3.816 -10.080 2.724 1.00 0.41 C ATOM 774 O ASP A 49 -2.911 -9.846 1.920 1.00 0.49 O ATOM 775 CB ASP A 49 -5.678 -9.715 1.107 1.00 0.55 C ATOM 776 CG ASP A 49 -6.870 -10.308 0.388 1.00 0.91 C ATOM 777 OD1 ASP A 49 -6.683 -11.292 -0.352 1.00 1.07 O ATOM 778 OD2 ASP A 49 -7.993 -9.796 0.566 1.00 1.64 O ATOM 0 H ASP A 49 -6.559 -9.775 3.583 1.00 0.45 H new ATOM 0 HA ASP A 49 -5.035 -11.623 1.866 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -5.952 -8.742 1.513 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -4.874 -9.546 0.390 1.00 0.55 H new ATOM 783 N SER A 50 -3.686 -9.862 4.033 1.00 0.36 N ATOM 784 CA SER A 50 -2.440 -9.438 4.626 1.00 0.35 C ATOM 785 C SER A 50 -1.303 -10.385 4.282 1.00 0.35 C ATOM 786 O SER A 50 -0.268 -9.953 3.774 1.00 0.41 O ATOM 787 CB SER A 50 -2.626 -9.377 6.131 1.00 0.37 C ATOM 788 OG SER A 50 -3.279 -10.542 6.608 1.00 1.25 O ATOM 0 H SER A 50 -4.447 -9.977 4.702 1.00 0.36 H new ATOM 0 HA SER A 50 -2.175 -8.458 4.230 1.00 0.35 H new ATOM 0 HB2 SER A 50 -1.656 -9.274 6.617 1.00 0.37 H new ATOM 0 HB3 SER A 50 -3.210 -8.495 6.394 1.00 0.37 H new ATOM 0 HG SER A 50 -4.231 -10.353 6.739 1.00 1.25 H new ATOM 794 N GLU A 51 -1.513 -11.672 4.559 1.00 0.38 N ATOM 795 CA GLU A 51 -0.537 -12.712 4.245 1.00 0.45 C ATOM 796 C GLU A 51 -0.014 -12.537 2.833 1.00 0.43 C ATOM 797 O GLU A 51 1.189 -12.435 2.607 1.00 0.47 O ATOM 798 CB GLU A 51 -1.184 -14.092 4.362 1.00 0.55 C ATOM 799 CG GLU A 51 -1.544 -14.490 5.779 1.00 1.32 C ATOM 800 CD GLU A 51 -0.323 -14.682 6.648 1.00 1.99 C ATOM 801 OE1 GLU A 51 0.483 -15.585 6.352 1.00 2.49 O ATOM 802 OE2 GLU A 51 -0.162 -13.922 7.624 1.00 2.68 O ATOM 0 H GLU A 51 -2.361 -12.021 5.006 1.00 0.38 H new ATOM 0 HA GLU A 51 0.288 -12.629 4.952 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -2.086 -14.111 3.751 1.00 0.55 H new ATOM 0 HB3 GLU A 51 -0.503 -14.836 3.949 1.00 0.55 H new ATOM 0 HG2 GLU A 51 -2.183 -13.724 6.218 1.00 1.32 H new ATOM 0 HG3 GLU A 51 -2.122 -15.414 5.759 1.00 1.32 H new ATOM 809 N ASN A 52 -0.951 -12.448 1.908 1.00 0.43 N ATOM 810 CA ASN A 52 -0.661 -12.337 0.486 1.00 0.48 C ATOM 811 C ASN A 52 0.295 -11.186 0.198 1.00 0.41 C ATOM 812 O ASN A 52 1.296 -11.353 -0.496 1.00 0.44 O ATOM 813 CB ASN A 52 -1.970 -12.115 -0.261 1.00 0.56 C ATOM 814 CG ASN A 52 -1.863 -12.383 -1.743 1.00 1.11 C ATOM 815 OD1 ASN A 52 -1.559 -11.490 -2.533 1.00 1.96 O ATOM 816 ND2 ASN A 52 -2.122 -13.620 -2.127 1.00 1.31 N ATOM 0 H ASN A 52 -1.948 -12.451 2.123 1.00 0.43 H new ATOM 0 HA ASN A 52 -0.180 -13.257 0.154 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -2.737 -12.762 0.164 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -2.299 -11.087 -0.107 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -2.074 -13.868 -3.115 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -2.370 -14.327 -1.435 1.00 1.31 H new ATOM 823 N MET A 53 -0.007 -10.020 0.753 1.00 0.35 N ATOM 824 CA MET A 53 0.791 -8.830 0.492 1.00 0.35 C ATOM 825 C MET A 53 2.103 -8.871 1.278 1.00 0.34 C ATOM 826 O MET A 53 3.100 -8.282 0.869 1.00 0.35 O ATOM 827 CB MET A 53 -0.008 -7.569 0.828 1.00 0.42 C ATOM 828 CG MET A 53 0.258 -6.405 -0.118 1.00 0.96 C ATOM 829 SD MET A 53 1.866 -5.629 0.128 1.00 1.28 S ATOM 830 CE MET A 53 1.888 -4.462 -1.227 1.00 0.79 C ATOM 0 H MET A 53 -0.795 -9.873 1.384 1.00 0.35 H new ATOM 0 HA MET A 53 1.038 -8.807 -0.569 1.00 0.35 H new ATOM 0 HB2 MET A 53 -1.071 -7.807 0.807 1.00 0.42 H new ATOM 0 HB3 MET A 53 0.229 -7.260 1.846 1.00 0.42 H new ATOM 0 HG2 MET A 53 0.189 -6.760 -1.146 1.00 0.96 H new ATOM 0 HG3 MET A 53 -0.522 -5.655 0.014 1.00 0.96 H new ATOM 0 HE1 MET A 53 2.920 -4.233 -1.493 1.00 0.79 H new ATOM 0 HE2 MET A 53 1.379 -4.895 -2.088 1.00 0.79 H new ATOM 0 HE3 MET A 53 1.379 -3.546 -0.927 1.00 0.79 H new ATOM 840 N THR A 54 2.110 -9.591 2.394 1.00 0.37 N ATOM 841 CA THR A 54 3.335 -9.758 3.165 1.00 0.45 C ATOM 842 C THR A 54 4.356 -10.555 2.344 1.00 0.45 C ATOM 843 O THR A 54 5.562 -10.301 2.411 1.00 0.48 O ATOM 844 CB THR A 54 3.074 -10.454 4.521 1.00 0.55 C ATOM 845 OG1 THR A 54 1.958 -9.839 5.181 1.00 0.57 O ATOM 846 CG2 THR A 54 4.293 -10.351 5.425 1.00 0.72 C ATOM 0 H THR A 54 1.293 -10.063 2.781 1.00 0.37 H new ATOM 0 HA THR A 54 3.733 -8.767 3.382 1.00 0.45 H new ATOM 0 HB THR A 54 2.860 -11.505 4.324 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.123 -10.161 4.781 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.086 -10.848 6.373 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.145 -10.830 4.943 1.00 0.72 H new ATOM 0 HG23 THR A 54 4.523 -9.301 5.608 1.00 0.72 H new ATOM 854 N LYS A 55 3.859 -11.503 1.545 1.00 0.46 N ATOM 855 CA LYS A 55 4.701 -12.216 0.584 1.00 0.52 C ATOM 856 C LYS A 55 5.312 -11.240 -0.413 1.00 0.41 C ATOM 857 O LYS A 55 6.461 -11.396 -0.821 1.00 0.42 O ATOM 858 CB LYS A 55 3.906 -13.280 -0.185 1.00 0.67 C ATOM 859 CG LYS A 55 3.810 -14.628 0.512 1.00 0.95 C ATOM 860 CD LYS A 55 2.864 -14.596 1.692 1.00 1.14 C ATOM 861 CE LYS A 55 2.884 -15.910 2.458 1.00 1.37 C ATOM 862 NZ LYS A 55 2.430 -17.045 1.610 1.00 1.49 N ATOM 0 H LYS A 55 2.881 -11.793 1.545 1.00 0.46 H new ATOM 0 HA LYS A 55 5.489 -12.711 1.152 1.00 0.52 H new ATOM 0 HB2 LYS A 55 2.898 -12.904 -0.361 1.00 0.67 H new ATOM 0 HB3 LYS A 55 4.368 -13.423 -1.162 1.00 0.67 H new ATOM 0 HG2 LYS A 55 3.473 -15.380 -0.201 1.00 0.95 H new ATOM 0 HG3 LYS A 55 4.801 -14.931 0.851 1.00 0.95 H new ATOM 0 HD2 LYS A 55 3.141 -13.780 2.360 1.00 1.14 H new ATOM 0 HD3 LYS A 55 1.852 -14.393 1.343 1.00 1.14 H new ATOM 0 HE2 LYS A 55 3.894 -16.106 2.819 1.00 1.37 H new ATOM 0 HE3 LYS A 55 2.242 -15.830 3.335 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 2.310 -17.893 2.200 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 1.523 -16.803 1.163 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 3.140 -17.233 0.873 1.00 1.49 H new ATOM 876 N SER A 56 4.539 -10.228 -0.789 1.00 0.36 N ATOM 877 CA SER A 56 4.988 -9.231 -1.748 1.00 0.34 C ATOM 878 C SER A 56 6.195 -8.471 -1.202 1.00 0.28 C ATOM 879 O SER A 56 7.140 -8.194 -1.933 1.00 0.28 O ATOM 880 CB SER A 56 3.842 -8.268 -2.088 1.00 0.39 C ATOM 881 OG SER A 56 4.183 -7.401 -3.154 1.00 1.26 O ATOM 0 H SER A 56 3.592 -10.078 -0.440 1.00 0.36 H new ATOM 0 HA SER A 56 5.293 -9.737 -2.664 1.00 0.34 H new ATOM 0 HB2 SER A 56 2.953 -8.840 -2.355 1.00 0.39 H new ATOM 0 HB3 SER A 56 3.589 -7.679 -1.207 1.00 0.39 H new ATOM 0 HG SER A 56 3.367 -7.015 -3.536 1.00 1.26 H new ATOM 887 N HIS A 57 6.174 -8.167 0.094 1.00 0.29 N ATOM 888 CA HIS A 57 7.306 -7.509 0.742 1.00 0.30 C ATOM 889 C HIS A 57 8.550 -8.402 0.678 1.00 0.31 C ATOM 890 O HIS A 57 9.669 -7.914 0.533 1.00 0.34 O ATOM 891 CB HIS A 57 6.960 -7.164 2.201 1.00 0.35 C ATOM 892 CG HIS A 57 8.072 -6.501 2.973 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.308 -6.749 4.306 1.00 0.53 N ATOM 894 CD2 HIS A 57 9.012 -5.594 2.594 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.337 -6.029 4.713 1.00 0.51 C ATOM 896 NE2 HIS A 57 9.786 -5.321 3.694 1.00 0.39 N ATOM 0 H HIS A 57 5.389 -8.365 0.714 1.00 0.29 H new ATOM 0 HA HIS A 57 7.522 -6.582 0.211 1.00 0.30 H new ATOM 0 HB2 HIS A 57 6.090 -6.508 2.208 1.00 0.35 H new ATOM 0 HB3 HIS A 57 6.673 -8.080 2.718 1.00 0.35 H new ATOM 0 HD2 HIS A 57 9.128 -5.167 1.609 1.00 0.34 H new ATOM 0 HE1 HIS A 57 9.744 -6.021 5.713 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.577 -4.678 3.720 1.00 0.39 H new ATOM 905 N GLN A 58 8.340 -9.707 0.774 1.00 0.32 N ATOM 906 CA GLN A 58 9.434 -10.675 0.706 1.00 0.37 C ATOM 907 C GLN A 58 9.900 -10.879 -0.733 1.00 0.33 C ATOM 908 O GLN A 58 11.064 -11.197 -0.985 1.00 0.37 O ATOM 909 CB GLN A 58 8.991 -12.009 1.300 1.00 0.46 C ATOM 910 CG GLN A 58 8.534 -11.901 2.741 1.00 1.24 C ATOM 911 CD GLN A 58 8.061 -13.223 3.313 1.00 1.77 C ATOM 912 OE1 GLN A 58 7.511 -14.079 2.467 1.00 2.36 O flip ATOM 913 NE2 GLN A 58 8.198 -13.473 4.511 1.00 2.26 N flip ATOM 0 H GLN A 58 7.418 -10.125 0.900 1.00 0.32 H new ATOM 0 HA GLN A 58 10.270 -10.281 1.284 1.00 0.37 H new ATOM 0 HB2 GLN A 58 8.178 -12.415 0.698 1.00 0.46 H new ATOM 0 HB3 GLN A 58 9.817 -12.718 1.240 1.00 0.46 H new ATOM 0 HG2 GLN A 58 9.355 -11.521 3.349 1.00 1.24 H new ATOM 0 HG3 GLN A 58 7.725 -11.173 2.806 1.00 1.24 H new ATOM 0 HE21 GLN A 58 8.627 -12.785 5.130 1.00 2.26 H new ATOM 0 HE22 GLN A 58 7.882 -14.368 4.885 1.00 2.26 H new ATOM 922 N ASN A 59 8.989 -10.675 -1.670 1.00 0.28 N ATOM 923 CA ASN A 59 9.285 -10.863 -3.082 1.00 0.28 C ATOM 924 C ASN A 59 9.979 -9.628 -3.628 1.00 0.29 C ATOM 925 O ASN A 59 11.024 -9.710 -4.265 1.00 0.34 O ATOM 926 CB ASN A 59 7.995 -11.140 -3.863 1.00 0.30 C ATOM 927 CG ASN A 59 8.220 -11.205 -5.365 1.00 0.38 C ATOM 928 OD1 ASN A 59 8.568 -12.252 -5.911 1.00 0.64 O ATOM 929 ND2 ASN A 59 8.006 -10.088 -6.047 1.00 0.83 N ATOM 0 H ASN A 59 8.033 -10.377 -1.477 1.00 0.28 H new ATOM 0 HA ASN A 59 9.947 -11.721 -3.196 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.565 -12.082 -3.523 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.267 -10.359 -3.642 1.00 0.30 H new ATOM 0 HD21 ASN A 59 8.129 -10.077 -7.059 1.00 0.83 H new ATOM 0 HD22 ASN A 59 7.718 -9.240 -5.559 1.00 0.83 H new ATOM 936 N LEU A 60 9.403 -8.479 -3.323 1.00 0.27 N ATOM 937 CA LEU A 60 9.906 -7.195 -3.784 1.00 0.28 C ATOM 938 C LEU A 60 11.311 -6.935 -3.239 1.00 0.34 C ATOM 939 O LEU A 60 12.105 -6.215 -3.849 1.00 0.43 O ATOM 940 CB LEU A 60 8.933 -6.097 -3.337 1.00 0.25 C ATOM 941 CG LEU A 60 9.295 -4.669 -3.734 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.533 -4.571 -5.227 1.00 0.29 C ATOM 943 CD2 LEU A 60 8.198 -3.707 -3.300 1.00 0.33 C ATOM 0 H LEU A 60 8.566 -8.409 -2.744 1.00 0.27 H new ATOM 0 HA LEU A 60 9.975 -7.198 -4.872 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.948 -6.326 -3.745 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.846 -6.138 -2.251 1.00 0.25 H new ATOM 0 HG LEU A 60 10.219 -4.393 -3.226 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.790 -3.544 -5.488 1.00 0.29 H new ATOM 0 HD12 LEU A 60 10.352 -5.233 -5.509 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.629 -4.865 -5.760 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.469 -2.692 -3.589 1.00 0.33 H new ATOM 0 HD22 LEU A 60 7.260 -3.983 -3.782 1.00 0.33 H new ATOM 0 HD23 LEU A 60 8.078 -3.756 -2.218 1.00 0.33 H new ATOM 955 N CYS A 61 11.615 -7.580 -2.118 1.00 0.36 N ATOM 956 CA CYS A 61 12.858 -7.372 -1.385 1.00 0.48 C ATOM 957 C CYS A 61 14.076 -7.846 -2.181 1.00 0.58 C ATOM 958 O CYS A 61 15.206 -7.472 -1.875 1.00 0.92 O ATOM 959 CB CYS A 61 12.801 -8.090 -0.034 1.00 0.54 C ATOM 960 SG CYS A 61 14.137 -7.643 1.099 1.00 1.20 S ATOM 0 H CYS A 61 10.998 -8.269 -1.688 1.00 0.36 H new ATOM 0 HA CYS A 61 12.967 -6.300 -1.222 1.00 0.48 H new ATOM 0 HB2 CYS A 61 11.846 -7.869 0.443 1.00 0.54 H new ATOM 0 HB3 CYS A 61 12.830 -9.166 -0.205 1.00 0.54 H new ATOM 0 HG CYS A 61 15.220 -7.404 0.420 1.00 1.20 H new ATOM 966 N THR A 62 13.858 -8.694 -3.183 1.00 0.54 N ATOM 967 CA THR A 62 14.965 -9.255 -3.949 1.00 0.76 C ATOM 968 C THR A 62 14.540 -9.477 -5.395 1.00 0.60 C ATOM 969 O THR A 62 15.050 -10.347 -6.105 1.00 0.82 O ATOM 970 CB THR A 62 15.462 -10.578 -3.318 1.00 1.11 C ATOM 971 OG1 THR A 62 15.483 -10.452 -1.889 1.00 1.27 O ATOM 972 CG2 THR A 62 16.865 -10.928 -3.798 1.00 1.45 C ATOM 0 H THR A 62 12.933 -9.005 -3.481 1.00 0.54 H new ATOM 0 HA THR A 62 15.792 -8.545 -3.930 1.00 0.76 H new ATOM 0 HB THR A 62 14.779 -11.371 -3.622 1.00 1.11 H new ATOM 0 HG1 THR A 62 15.796 -11.291 -1.491 1.00 1.27 H new ATOM 0 HG21 THR A 62 17.185 -11.862 -3.337 1.00 1.45 H new ATOM 0 HG22 THR A 62 16.861 -11.041 -4.882 1.00 1.45 H new ATOM 0 HG23 THR A 62 17.554 -10.131 -3.519 1.00 1.45 H new ATOM 980 N LYS A 63 13.618 -8.637 -5.835 1.00 0.50 N ATOM 981 CA LYS A 63 13.188 -8.628 -7.222 1.00 0.43 C ATOM 982 C LYS A 63 13.361 -7.239 -7.822 1.00 0.39 C ATOM 983 O LYS A 63 13.506 -7.092 -9.035 1.00 0.39 O ATOM 984 CB LYS A 63 11.732 -9.062 -7.337 1.00 0.45 C ATOM 985 CG LYS A 63 11.501 -10.548 -7.104 1.00 0.54 C ATOM 986 CD LYS A 63 12.077 -11.393 -8.227 1.00 0.68 C ATOM 987 CE LYS A 63 11.843 -12.877 -7.984 1.00 0.85 C ATOM 988 NZ LYS A 63 10.398 -13.201 -7.829 1.00 1.76 N ATOM 0 H LYS A 63 13.150 -7.948 -5.246 1.00 0.50 H new ATOM 0 HA LYS A 63 13.809 -9.334 -7.774 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.139 -8.497 -6.618 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.364 -8.800 -8.329 1.00 0.45 H new ATOM 0 HG2 LYS A 63 11.956 -10.842 -6.158 1.00 0.54 H new ATOM 0 HG3 LYS A 63 10.432 -10.740 -7.017 1.00 0.54 H new ATOM 0 HD2 LYS A 63 11.621 -11.102 -9.173 1.00 0.68 H new ATOM 0 HD3 LYS A 63 13.146 -11.202 -8.316 1.00 0.68 H new ATOM 0 HE2 LYS A 63 12.255 -13.449 -8.816 1.00 0.85 H new ATOM 0 HE3 LYS A 63 12.381 -13.186 -7.088 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 10.278 -14.232 -7.767 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 10.034 -12.758 -6.962 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 9.871 -12.840 -8.650 1.00 1.76 H new ATOM 1002 N GLY A 64 13.335 -6.218 -6.963 1.00 0.40 N ATOM 1003 CA GLY A 64 13.493 -4.847 -7.423 1.00 0.42 C ATOM 1004 C GLY A 64 12.203 -4.260 -7.966 1.00 0.37 C ATOM 1005 O GLY A 64 12.094 -3.051 -8.164 1.00 0.41 O ATOM 0 H GLY A 64 13.207 -6.318 -5.956 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.849 -4.230 -6.598 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.258 -4.814 -8.199 1.00 0.42 H new ATOM 1009 N GLN A 65 11.217 -5.120 -8.164 1.00 0.34 N ATOM 1010 CA GLN A 65 9.954 -4.740 -8.786 1.00 0.33 C ATOM 1011 C GLN A 65 8.925 -5.832 -8.515 1.00 0.34 C ATOM 1012 O GLN A 65 9.261 -7.015 -8.498 1.00 0.43 O ATOM 1013 CB GLN A 65 10.155 -4.533 -10.299 1.00 0.41 C ATOM 1014 CG GLN A 65 9.004 -3.829 -11.020 1.00 0.49 C ATOM 1015 CD GLN A 65 7.796 -4.720 -11.262 1.00 0.81 C ATOM 1016 OE1 GLN A 65 7.922 -5.935 -11.413 1.00 1.37 O ATOM 1017 NE2 GLN A 65 6.619 -4.122 -11.312 1.00 1.32 N ATOM 0 H GLN A 65 11.268 -6.103 -7.898 1.00 0.34 H new ATOM 0 HA GLN A 65 9.595 -3.801 -8.365 1.00 0.33 H new ATOM 0 HB2 GLN A 65 11.066 -3.955 -10.452 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.313 -5.506 -10.765 1.00 0.41 H new ATOM 0 HG2 GLN A 65 8.694 -2.964 -10.433 1.00 0.49 H new ATOM 0 HG3 GLN A 65 9.364 -3.452 -11.977 1.00 0.49 H new ATOM 0 HE21 GLN A 65 6.554 -3.112 -11.182 1.00 1.32 H new ATOM 0 HE22 GLN A 65 5.775 -4.670 -11.480 1.00 1.32 H new ATOM 1026 N VAL A 66 7.686 -5.429 -8.285 1.00 0.32 N ATOM 1027 CA VAL A 66 6.608 -6.361 -7.993 1.00 0.35 C ATOM 1028 C VAL A 66 5.274 -5.746 -8.416 1.00 0.33 C ATOM 1029 O VAL A 66 5.195 -4.543 -8.634 1.00 0.32 O ATOM 1030 CB VAL A 66 6.572 -6.694 -6.480 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.244 -5.462 -5.663 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.578 -7.789 -6.171 1.00 0.44 C ATOM 0 H VAL A 66 7.399 -4.450 -8.295 1.00 0.32 H new ATOM 0 HA VAL A 66 6.780 -7.283 -8.548 1.00 0.35 H new ATOM 0 HB VAL A 66 7.566 -7.049 -6.209 1.00 0.36 H new ATOM 0 HG11 VAL A 66 6.225 -5.722 -4.605 1.00 0.31 H new ATOM 0 HG12 VAL A 66 7.003 -4.699 -5.835 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.268 -5.078 -5.960 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.583 -7.993 -5.100 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.581 -7.472 -6.475 1.00 0.44 H new ATOM 0 HG23 VAL A 66 5.852 -8.693 -6.714 1.00 0.44 H new ATOM 1042 N VAL A 67 4.247 -6.560 -8.580 1.00 0.39 N ATOM 1043 CA VAL A 67 2.905 -6.037 -8.729 1.00 0.45 C ATOM 1044 C VAL A 67 1.900 -6.911 -7.984 1.00 0.49 C ATOM 1045 O VAL A 67 1.583 -8.028 -8.396 1.00 0.92 O ATOM 1046 CB VAL A 67 2.501 -5.854 -10.211 1.00 0.58 C ATOM 1047 CG1 VAL A 67 2.621 -7.145 -10.997 1.00 0.91 C ATOM 1048 CG2 VAL A 67 1.093 -5.286 -10.319 1.00 1.16 C ATOM 0 H VAL A 67 4.317 -7.577 -8.613 1.00 0.39 H new ATOM 0 HA VAL A 67 2.896 -5.043 -8.282 1.00 0.45 H new ATOM 0 HB VAL A 67 3.199 -5.142 -10.651 1.00 0.58 H new ATOM 0 HG11 VAL A 67 2.327 -6.970 -12.032 1.00 0.91 H new ATOM 0 HG12 VAL A 67 3.653 -7.495 -10.967 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.969 -7.900 -10.558 1.00 0.91 H new ATOM 0 HG21 VAL A 67 0.829 -5.165 -11.370 1.00 1.16 H new ATOM 0 HG22 VAL A 67 0.388 -5.968 -9.844 1.00 1.16 H new ATOM 0 HG23 VAL A 67 1.052 -4.317 -9.821 1.00 1.16 H new ATOM 1058 N SER A 68 1.460 -6.417 -6.842 1.00 0.52 N ATOM 1059 CA SER A 68 0.438 -7.085 -6.062 1.00 0.54 C ATOM 1060 C SER A 68 -0.910 -6.884 -6.732 1.00 0.53 C ATOM 1061 O SER A 68 -1.168 -5.820 -7.298 1.00 0.94 O ATOM 1062 CB SER A 68 0.419 -6.526 -4.640 1.00 0.58 C ATOM 1063 OG SER A 68 1.733 -6.462 -4.104 1.00 1.39 O ATOM 0 H SER A 68 1.799 -5.547 -6.432 1.00 0.52 H new ATOM 0 HA SER A 68 0.654 -8.152 -6.008 1.00 0.54 H new ATOM 0 HB2 SER A 68 -0.026 -5.531 -4.642 1.00 0.58 H new ATOM 0 HB3 SER A 68 -0.207 -7.154 -4.006 1.00 0.58 H new ATOM 0 HG SER A 68 2.131 -5.592 -4.317 1.00 1.39 H new ATOM 1069 N GLY A 69 -1.771 -7.883 -6.661 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.016 -7.807 -7.361 1.00 0.43 C ATOM 1071 C GLY A 69 -4.139 -7.374 -6.460 1.00 0.38 C ATOM 1072 O GLY A 69 -3.909 -6.947 -5.329 1.00 0.42 O ATOM 0 H GLY A 69 -1.624 -8.741 -6.130 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -2.924 -7.105 -8.190 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -3.251 -8.780 -7.792 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.343 -7.495 -6.981 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.560 -7.155 -6.283 1.00 0.43 C ATOM 1078 C GLN A 70 -6.621 -7.814 -4.913 1.00 0.35 C ATOM 1079 O GLN A 70 -6.791 -9.030 -4.795 1.00 0.36 O ATOM 1080 CB GLN A 70 -7.733 -7.629 -7.128 1.00 0.62 C ATOM 1081 CG GLN A 70 -7.590 -7.269 -8.598 1.00 0.78 C ATOM 1082 CD GLN A 70 -8.851 -7.497 -9.403 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -9.665 -8.366 -9.083 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -9.014 -6.728 -10.467 1.00 1.31 N ATOM 0 H GLN A 70 -5.503 -7.842 -7.927 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.595 -6.076 -6.131 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -7.829 -8.711 -7.032 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -8.653 -7.192 -6.740 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -7.301 -6.221 -8.680 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -6.781 -7.858 -9.031 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -8.316 -6.020 -10.697 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -9.838 -6.843 -11.058 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.450 -7.000 -3.894 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.541 -7.437 -2.515 1.00 0.36 C ATOM 1095 C TYR A 71 -7.626 -6.642 -1.804 1.00 0.32 C ATOM 1096 O TYR A 71 -8.184 -5.710 -2.377 1.00 0.29 O ATOM 1097 CB TYR A 71 -5.192 -7.242 -1.805 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.634 -5.826 -1.886 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -5.406 -4.732 -1.505 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.346 -5.580 -2.352 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.905 -3.444 -1.586 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.844 -4.301 -2.437 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.609 -3.242 -2.012 1.00 0.54 C ATOM 1104 OH TYR A 71 -3.124 -1.966 -2.161 1.00 0.68 O ATOM 0 H TYR A 71 -6.242 -6.007 -3.999 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.794 -8.497 -2.490 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -5.305 -7.515 -0.756 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -4.466 -7.930 -2.237 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -6.410 -4.890 -1.141 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.726 -6.411 -2.654 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -5.526 -2.602 -1.317 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.855 -4.131 -2.835 1.00 0.62 H new ATOM 0 HH TYR A 71 -2.436 -1.957 -2.859 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.915 -6.992 -0.563 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.820 -6.191 0.242 1.00 0.33 C ATOM 1116 C ARG A 72 -8.032 -5.250 1.126 1.00 0.27 C ATOM 1117 O ARG A 72 -7.325 -5.700 2.022 1.00 0.28 O ATOM 1118 CB ARG A 72 -9.684 -7.079 1.125 1.00 0.43 C ATOM 1119 CG ARG A 72 -10.557 -8.042 0.355 1.00 0.65 C ATOM 1120 CD ARG A 72 -11.309 -8.960 1.295 1.00 1.06 C ATOM 1121 NE ARG A 72 -12.220 -9.836 0.569 1.00 1.10 N ATOM 1122 CZ ARG A 72 -13.533 -9.627 0.487 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -14.090 -8.626 1.158 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -14.291 -10.422 -0.255 1.00 1.52 N ATOM 0 H ARG A 72 -7.541 -7.817 -0.094 1.00 0.36 H new ATOM 0 HA ARG A 72 -9.458 -5.623 -0.434 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -9.039 -7.646 1.796 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -10.318 -6.448 1.749 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -11.265 -7.486 -0.260 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -9.942 -8.634 -0.323 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -10.599 -9.561 1.863 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -11.871 -8.365 2.015 1.00 1.06 H new ATOM 0 HE ARG A 72 -11.831 -10.653 0.098 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -13.512 -8.016 1.737 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -15.095 -8.467 1.095 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -13.869 -11.197 -0.766 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -15.296 -10.258 -0.315 1.00 1.52 H new ATOM 1138 N MET A 73 -8.151 -3.954 0.904 1.00 0.26 N ATOM 1139 CA MET A 73 -7.492 -3.015 1.797 1.00 0.26 C ATOM 1140 C MET A 73 -8.491 -2.503 2.816 1.00 0.23 C ATOM 1141 O MET A 73 -9.616 -2.146 2.466 1.00 0.24 O ATOM 1142 CB MET A 73 -6.870 -1.833 1.069 1.00 0.30 C ATOM 1143 CG MET A 73 -6.062 -0.945 2.003 1.00 0.35 C ATOM 1144 SD MET A 73 -4.283 -1.189 1.843 1.00 0.77 S ATOM 1145 CE MET A 73 -3.685 0.144 2.880 1.00 0.60 C ATOM 0 H MET A 73 -8.680 -3.535 0.139 1.00 0.26 H new ATOM 0 HA MET A 73 -6.680 -3.556 2.283 1.00 0.26 H new ATOM 0 HB2 MET A 73 -6.225 -2.199 0.270 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.657 -1.243 0.599 1.00 0.30 H new ATOM 0 HG2 MET A 73 -6.300 0.099 1.799 1.00 0.35 H new ATOM 0 HG3 MET A 73 -6.359 -1.144 3.033 1.00 0.35 H new ATOM 0 HE1 MET A 73 -2.695 0.451 2.543 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.369 0.990 2.815 1.00 0.60 H new ATOM 0 HE3 MET A 73 -3.627 -0.197 3.914 1.00 0.60 H new ATOM 1155 N LEU A 74 -8.084 -2.497 4.073 1.00 0.22 N ATOM 1156 CA LEU A 74 -8.943 -2.041 5.147 1.00 0.25 C ATOM 1157 C LEU A 74 -9.093 -0.534 5.122 1.00 0.33 C ATOM 1158 O LEU A 74 -8.107 0.200 5.123 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.373 -2.465 6.489 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.318 -2.332 7.678 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -9.871 -3.695 8.032 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.611 -1.708 8.873 1.00 0.42 C ATOM 0 H LEU A 74 -7.159 -2.805 4.374 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.924 -2.494 5.005 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -8.054 -3.505 6.416 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.481 -1.871 6.689 1.00 0.24 H new ATOM 0 HG LEU A 74 -10.140 -1.671 7.404 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.547 -3.604 8.882 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.414 -4.100 7.178 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.051 -4.364 8.291 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.309 -1.625 9.706 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.769 -2.335 9.166 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -8.248 -0.716 8.604 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.328 -0.088 5.089 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.630 1.315 5.226 1.00 0.26 C ATOM 1176 C ALA A 75 -10.714 1.677 6.693 1.00 0.31 C ATOM 1177 O ALA A 75 -10.833 0.808 7.555 1.00 0.60 O ATOM 1178 CB ALA A 75 -11.926 1.658 4.506 1.00 0.29 C ATOM 0 H ALA A 75 -11.146 -0.685 4.967 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.831 1.897 4.767 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.136 2.721 4.622 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.828 1.421 3.447 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.744 1.078 4.933 1.00 0.29 H new ATOM 1184 N LYS A 76 -10.645 2.967 6.942 1.00 0.28 N ATOM 1185 CA LYS A 76 -10.661 3.548 8.276 1.00 0.30 C ATOM 1186 C LYS A 76 -11.700 2.902 9.197 1.00 0.33 C ATOM 1187 O LYS A 76 -11.449 2.673 10.378 1.00 0.42 O ATOM 1188 CB LYS A 76 -10.972 5.025 8.106 1.00 0.39 C ATOM 1189 CG LYS A 76 -10.704 5.855 9.329 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.137 7.294 9.116 1.00 0.47 C ATOM 1191 CE LYS A 76 -12.643 7.388 8.884 1.00 0.53 C ATOM 1192 NZ LYS A 76 -13.107 8.797 8.803 1.00 1.23 N ATOM 0 H LYS A 76 -10.574 3.665 6.202 1.00 0.28 H new ATOM 0 HA LYS A 76 -9.694 3.380 8.750 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.381 5.416 7.278 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.020 5.135 7.829 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.236 5.434 10.182 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -9.641 5.823 9.569 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -10.862 7.892 9.985 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -10.608 7.713 8.260 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -12.901 6.868 7.961 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.167 6.880 9.694 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -14.135 8.816 8.645 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -12.885 9.287 9.693 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -12.627 9.276 8.014 1.00 1.23 H new ATOM 1206 N HIS A 77 -12.846 2.586 8.629 1.00 0.44 N ATOM 1207 CA HIS A 77 -13.991 2.100 9.389 1.00 0.62 C ATOM 1208 C HIS A 77 -14.165 0.593 9.218 1.00 0.69 C ATOM 1209 O HIS A 77 -15.280 0.074 9.256 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.262 2.867 8.983 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.288 3.311 7.549 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -14.630 4.324 6.931 1.00 0.74 N flip ATOM 1213 CD2 HIS A 77 -16.041 2.705 6.573 1.00 0.67 C flip ATOM 1214 CE1 HIS A 77 -14.995 4.305 5.613 1.00 0.70 C flip ATOM 1215 NE2 HIS A 77 -15.843 3.322 5.424 1.00 0.69 N flip ATOM 0 H HIS A 77 -13.015 2.657 7.626 1.00 0.44 H new ATOM 0 HA HIS A 77 -13.809 2.283 10.448 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.129 2.234 9.170 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.363 3.743 9.624 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -16.693 1.857 6.723 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -14.643 4.987 4.853 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -16.278 3.075 4.535 1.00 0.69 H new ATOM 1224 N GLY A 78 -13.045 -0.097 9.036 1.00 0.58 N ATOM 1225 CA GLY A 78 -13.063 -1.546 8.885 1.00 0.72 C ATOM 1226 C GLY A 78 -13.640 -1.989 7.558 1.00 0.76 C ATOM 1227 O GLY A 78 -14.079 -3.129 7.411 1.00 1.31 O ATOM 0 H GLY A 78 -12.116 0.322 8.990 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -12.047 -1.930 8.981 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.647 -1.984 9.695 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.648 -1.084 6.597 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.176 -1.402 5.289 1.00 0.37 C ATOM 1233 C GLY A 79 -13.156 -2.121 4.446 1.00 0.28 C ATOM 1234 O GLY A 79 -12.005 -2.252 4.854 1.00 0.29 O ATOM 0 H GLY A 79 -13.297 -0.131 6.698 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -15.066 -2.023 5.395 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.485 -0.485 4.787 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.555 -2.590 3.280 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.618 -3.234 2.385 1.00 0.21 C ATOM 1240 C TYR A 80 -12.825 -2.752 0.974 1.00 0.22 C ATOM 1241 O TYR A 80 -13.949 -2.688 0.480 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.740 -4.755 2.436 1.00 0.26 C ATOM 1243 CG TYR A 80 -12.379 -5.330 3.774 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -11.056 -5.450 4.163 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -13.368 -5.769 4.640 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.725 -5.988 5.385 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -13.049 -6.310 5.863 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.711 -6.366 6.253 1.00 0.33 C ATOM 1249 OH TYR A 80 -11.375 -6.955 7.452 1.00 0.38 O ATOM 0 H TYR A 80 -14.513 -2.538 2.934 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.615 -2.966 2.716 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.763 -5.040 2.189 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -12.094 -5.191 1.674 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -10.273 -5.117 3.498 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -14.405 -5.685 4.350 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.687 -6.112 5.658 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.824 -6.687 6.513 1.00 0.37 H new ATOM 0 HH TYR A 80 -12.190 -7.163 7.954 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.739 -2.384 0.344 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.762 -1.994 -1.047 1.00 0.28 C ATOM 1261 C VAL A 81 -10.719 -2.795 -1.800 1.00 0.26 C ATOM 1262 O VAL A 81 -9.653 -3.092 -1.262 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.520 -0.477 -1.220 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.817 0.290 -1.013 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.465 0.021 -0.243 1.00 0.30 C ATOM 0 H VAL A 81 -10.816 -2.345 0.776 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.751 -2.204 -1.454 1.00 0.28 H new ATOM 0 HB VAL A 81 -11.160 -0.306 -2.235 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.633 1.357 -1.138 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.555 -0.039 -1.745 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -13.194 0.102 -0.008 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -10.313 1.091 -0.385 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.798 -0.166 0.778 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.527 -0.505 -0.421 1.00 0.30 H new ATOM 1275 N TRP A 82 -11.044 -3.190 -3.017 1.00 0.28 N ATOM 1276 CA TRP A 82 -10.141 -4.013 -3.803 1.00 0.29 C ATOM 1277 C TRP A 82 -9.147 -3.165 -4.569 1.00 0.28 C ATOM 1278 O TRP A 82 -9.527 -2.284 -5.342 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.918 -4.913 -4.750 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.630 -6.015 -4.035 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.842 -5.945 -3.414 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -11.160 -7.353 -3.857 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -13.158 -7.164 -2.866 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -12.140 -8.044 -3.125 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -10.004 -8.035 -4.248 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -12.001 -9.383 -2.779 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.867 -9.364 -3.899 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.862 -10.026 -3.172 1.00 0.52 C ATOM 0 H TRP A 82 -11.921 -2.956 -3.482 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.580 -4.642 -3.111 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.643 -4.315 -5.302 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -10.234 -5.342 -5.482 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.462 -5.062 -3.361 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -14.011 -7.379 -2.350 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -9.233 -7.532 -4.812 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.768 -9.897 -2.218 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -8.977 -9.901 -4.192 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.727 -11.067 -2.916 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.872 -3.439 -4.342 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.807 -2.658 -4.951 1.00 0.28 C ATOM 1301 C LEU A 83 -5.659 -3.523 -5.430 1.00 0.29 C ATOM 1302 O LEU A 83 -5.423 -4.607 -4.905 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.254 -1.630 -3.953 1.00 0.28 C ATOM 1304 CG LEU A 83 -7.197 -0.518 -3.498 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.799 -0.852 -2.149 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.448 0.803 -3.434 1.00 0.40 C ATOM 0 H LEU A 83 -7.549 -4.197 -3.740 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.248 -2.156 -5.812 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.915 -2.168 -3.068 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.375 -1.165 -4.400 1.00 0.28 H new ATOM 0 HG LEU A 83 -8.008 -0.428 -4.221 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.468 -0.049 -1.840 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.360 -1.784 -2.221 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -7.003 -0.964 -1.413 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -7.127 1.591 -3.109 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.623 0.720 -2.726 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -6.056 1.047 -4.421 1.00 0.40 H new ATOM 1318 N GLU A 84 -4.959 -3.019 -6.439 1.00 0.32 N ATOM 1319 CA GLU A 84 -3.710 -3.605 -6.890 1.00 0.34 C ATOM 1320 C GLU A 84 -2.578 -2.643 -6.580 1.00 0.35 C ATOM 1321 O GLU A 84 -2.739 -1.429 -6.698 1.00 0.39 O ATOM 1322 CB GLU A 84 -3.734 -3.904 -8.394 1.00 0.41 C ATOM 1323 CG GLU A 84 -4.703 -5.001 -8.785 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.587 -5.394 -10.239 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -3.685 -6.191 -10.575 1.00 1.23 O ATOM 1326 OE2 GLU A 84 -5.390 -4.903 -11.060 1.00 0.88 O ATOM 0 H GLU A 84 -5.244 -2.193 -6.965 1.00 0.32 H new ATOM 0 HA GLU A 84 -3.564 -4.550 -6.368 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -3.996 -2.993 -8.932 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -2.731 -4.187 -8.715 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -4.524 -5.877 -8.161 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -5.721 -4.669 -8.583 1.00 0.59 H new ATOM 1333 N THR A 85 -1.447 -3.173 -6.166 1.00 0.36 N ATOM 1334 CA THR A 85 -0.312 -2.338 -5.837 1.00 0.37 C ATOM 1335 C THR A 85 0.938 -2.807 -6.550 1.00 0.32 C ATOM 1336 O THR A 85 1.526 -3.832 -6.196 1.00 0.43 O ATOM 1337 CB THR A 85 -0.059 -2.312 -4.321 1.00 0.52 C ATOM 1338 OG1 THR A 85 -1.149 -1.667 -3.668 1.00 0.68 O ATOM 1339 CG2 THR A 85 1.234 -1.583 -3.988 1.00 0.60 C ATOM 0 H THR A 85 -1.289 -4.174 -6.050 1.00 0.36 H new ATOM 0 HA THR A 85 -0.551 -1.328 -6.171 1.00 0.37 H new ATOM 0 HB THR A 85 0.030 -3.341 -3.973 1.00 0.52 H new ATOM 0 HG1 THR A 85 -1.031 -0.695 -3.717 1.00 0.68 H new ATOM 0 HG21 THR A 85 1.384 -1.582 -2.908 1.00 0.60 H new ATOM 0 HG22 THR A 85 2.071 -2.088 -4.470 1.00 0.60 H new ATOM 0 HG23 THR A 85 1.175 -0.555 -4.347 1.00 0.60 H new ATOM 1347 N GLN A 86 1.347 -2.056 -7.555 1.00 0.29 N ATOM 1348 CA GLN A 86 2.583 -2.354 -8.237 1.00 0.35 C ATOM 1349 C GLN A 86 3.728 -1.750 -7.443 1.00 0.28 C ATOM 1350 O GLN A 86 3.769 -0.544 -7.191 1.00 0.30 O ATOM 1351 CB GLN A 86 2.549 -1.875 -9.697 1.00 0.50 C ATOM 1352 CG GLN A 86 2.423 -0.378 -9.896 1.00 0.70 C ATOM 1353 CD GLN A 86 3.705 0.269 -10.402 1.00 1.06 C ATOM 1354 OE1 GLN A 86 4.853 -0.270 -10.019 1.00 1.95 O flip ATOM 1355 NE2 GLN A 86 3.660 1.256 -11.132 1.00 1.15 N flip ATOM 0 H GLN A 86 0.844 -1.243 -7.912 1.00 0.29 H new ATOM 0 HA GLN A 86 2.730 -3.433 -8.291 1.00 0.35 H new ATOM 0 HB2 GLN A 86 3.459 -2.213 -10.192 1.00 0.50 H new ATOM 0 HB3 GLN A 86 1.713 -2.361 -10.200 1.00 0.50 H new ATOM 0 HG2 GLN A 86 1.619 -0.178 -10.604 1.00 0.70 H new ATOM 0 HG3 GLN A 86 2.138 0.085 -8.951 1.00 0.70 H new ATOM 0 HE21 GLN A 86 2.759 1.646 -11.408 1.00 1.15 H new ATOM 0 HE22 GLN A 86 4.524 1.686 -11.462 1.00 1.15 H new ATOM 1364 N GLY A 87 4.627 -2.609 -7.013 1.00 0.27 N ATOM 1365 CA GLY A 87 5.657 -2.213 -6.093 1.00 0.26 C ATOM 1366 C GLY A 87 7.013 -2.094 -6.740 1.00 0.24 C ATOM 1367 O GLY A 87 7.295 -2.700 -7.775 1.00 0.27 O ATOM 0 H GLY A 87 4.660 -3.590 -7.291 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.389 -1.256 -5.646 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.710 -2.939 -5.282 1.00 0.26 H new ATOM 1371 N THR A 88 7.841 -1.293 -6.122 1.00 0.23 N ATOM 1372 CA THR A 88 9.201 -1.062 -6.567 1.00 0.22 C ATOM 1373 C THR A 88 10.066 -0.657 -5.381 1.00 0.25 C ATOM 1374 O THR A 88 9.863 0.405 -4.796 1.00 0.36 O ATOM 1375 CB THR A 88 9.262 0.035 -7.653 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.412 -0.321 -8.749 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.686 0.225 -8.157 1.00 0.24 C ATOM 0 H THR A 88 7.591 -0.772 -5.282 1.00 0.23 H new ATOM 0 HA THR A 88 9.576 -1.989 -7.001 1.00 0.22 H new ATOM 0 HB THR A 88 8.922 0.972 -7.211 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.452 0.378 -9.435 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.701 1.003 -8.921 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.329 0.518 -7.328 1.00 0.24 H new ATOM 0 HG23 THR A 88 11.049 -0.710 -8.584 1.00 0.24 H new ATOM 1385 N VAL A 89 11.006 -1.501 -5.000 1.00 0.28 N ATOM 1386 CA VAL A 89 11.904 -1.158 -3.915 1.00 0.31 C ATOM 1387 C VAL A 89 13.031 -0.283 -4.428 1.00 0.30 C ATOM 1388 O VAL A 89 13.848 -0.702 -5.253 1.00 0.34 O ATOM 1389 CB VAL A 89 12.471 -2.403 -3.193 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.748 -2.069 -2.448 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.455 -2.960 -2.216 1.00 0.56 C ATOM 0 H VAL A 89 11.166 -2.417 -5.419 1.00 0.28 H new ATOM 0 HA VAL A 89 11.321 -0.606 -3.178 1.00 0.31 H new ATOM 0 HB VAL A 89 12.692 -3.151 -3.954 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.123 -2.963 -1.950 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.496 -1.705 -3.153 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.545 -1.298 -1.704 1.00 0.36 H new ATOM 0 HG21 VAL A 89 11.871 -3.835 -1.718 1.00 0.56 H new ATOM 0 HG22 VAL A 89 11.211 -2.201 -1.473 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.551 -3.245 -2.754 1.00 0.56 H new ATOM 1401 N ILE A 90 13.029 0.950 -3.968 1.00 0.27 N ATOM 1402 CA ILE A 90 14.065 1.886 -4.321 1.00 0.30 C ATOM 1403 C ILE A 90 15.228 1.750 -3.352 1.00 0.34 C ATOM 1404 O ILE A 90 15.070 1.903 -2.142 1.00 0.41 O ATOM 1405 CB ILE A 90 13.528 3.334 -4.358 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.602 4.307 -4.833 1.00 0.71 C ATOM 1407 CG2 ILE A 90 12.994 3.765 -3.008 1.00 0.73 C ATOM 1408 CD1 ILE A 90 14.058 5.684 -5.134 1.00 0.78 C ATOM 0 H ILE A 90 12.314 1.326 -3.345 1.00 0.27 H new ATOM 0 HA ILE A 90 14.418 1.654 -5.326 1.00 0.30 H new ATOM 0 HB ILE A 90 12.703 3.351 -5.070 1.00 0.32 H new ATOM 0 HG12 ILE A 90 15.376 4.387 -4.070 1.00 0.71 H new ATOM 0 HG13 ILE A 90 15.078 3.906 -5.728 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.625 4.789 -3.073 1.00 0.73 H new ATOM 0 HG22 ILE A 90 12.180 3.104 -2.711 1.00 0.73 H new ATOM 0 HG23 ILE A 90 13.792 3.713 -2.268 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.869 6.331 -5.467 1.00 0.78 H new ATOM 0 HD12 ILE A 90 13.304 5.614 -5.918 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.607 6.102 -4.234 1.00 0.78 H new ATOM 1420 N TYR A 91 16.378 1.376 -3.877 1.00 0.36 N ATOM 1421 CA TYR A 91 17.569 1.285 -3.062 1.00 0.42 C ATOM 1422 C TYR A 91 18.427 2.523 -3.232 1.00 0.48 C ATOM 1423 O TYR A 91 18.357 3.205 -4.256 1.00 0.58 O ATOM 1424 CB TYR A 91 18.414 0.069 -3.406 1.00 0.51 C ATOM 1425 CG TYR A 91 17.714 -1.264 -3.307 1.00 0.43 C ATOM 1426 CD1 TYR A 91 17.645 -1.944 -2.100 1.00 0.55 C ATOM 1427 CD2 TYR A 91 17.149 -1.857 -4.426 1.00 0.45 C ATOM 1428 CE1 TYR A 91 17.035 -3.177 -2.010 1.00 0.76 C ATOM 1429 CE2 TYR A 91 16.532 -3.088 -4.344 1.00 0.61 C ATOM 1430 CZ TYR A 91 16.479 -3.744 -3.136 1.00 0.79 C ATOM 1431 OH TYR A 91 15.872 -4.972 -3.056 1.00 1.06 O ATOM 0 H TYR A 91 16.511 1.132 -4.858 1.00 0.36 H new ATOM 0 HA TYR A 91 17.228 1.194 -2.031 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.790 0.187 -4.422 1.00 0.51 H new ATOM 0 HB3 TYR A 91 19.281 0.053 -2.745 1.00 0.51 H new ATOM 0 HD1 TYR A 91 18.077 -1.500 -1.215 1.00 0.55 H new ATOM 0 HD2 TYR A 91 17.193 -1.347 -5.377 1.00 0.45 H new ATOM 0 HE1 TYR A 91 16.993 -3.695 -1.063 1.00 0.76 H new ATOM 0 HE2 TYR A 91 16.093 -3.535 -5.224 1.00 0.61 H new ATOM 0 HH TYR A 91 16.155 -5.424 -2.234 1.00 1.06 H new ATOM 1441 N ASN A 92 19.226 2.806 -2.218 1.00 0.57 N ATOM 1442 CA ASN A 92 20.181 3.905 -2.277 1.00 0.71 C ATOM 1443 C ASN A 92 21.235 3.617 -3.338 1.00 0.69 C ATOM 1444 O ASN A 92 21.636 2.478 -3.507 1.00 0.63 O ATOM 1445 CB ASN A 92 20.870 4.070 -0.923 1.00 0.83 C ATOM 1446 CG ASN A 92 20.901 5.517 -0.471 1.00 1.09 C ATOM 1447 OD1 ASN A 92 20.005 6.290 -0.789 1.00 1.77 O ATOM 1448 ND2 ASN A 92 21.933 5.893 0.268 1.00 1.50 N ATOM 0 H ASN A 92 19.234 2.289 -1.339 1.00 0.57 H new ATOM 0 HA ASN A 92 19.646 4.821 -2.529 1.00 0.71 H new ATOM 0 HB2 ASN A 92 20.351 3.469 -0.177 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.889 3.689 -0.987 1.00 0.83 H new ATOM 0 HD21 ASN A 92 22.002 6.857 0.594 1.00 1.50 H new ATOM 0 HD22 ASN A 92 22.659 5.219 0.511 1.00 1.50 H new ATOM 1455 N PRO A 93 21.698 4.621 -4.077 1.00 0.84 N ATOM 1456 CA PRO A 93 22.782 4.418 -5.032 1.00 0.91 C ATOM 1457 C PRO A 93 24.149 4.363 -4.343 1.00 0.96 C ATOM 1458 O PRO A 93 25.074 3.715 -4.821 1.00 1.00 O ATOM 1459 CB PRO A 93 22.676 5.641 -5.943 1.00 1.13 C ATOM 1460 CG PRO A 93 22.076 6.705 -5.086 1.00 1.23 C ATOM 1461 CD PRO A 93 21.185 6.005 -4.090 1.00 1.00 C ATOM 0 HA PRO A 93 22.698 3.471 -5.565 1.00 0.91 H new ATOM 0 HB2 PRO A 93 23.655 5.941 -6.318 1.00 1.13 H new ATOM 0 HB3 PRO A 93 22.051 5.434 -6.812 1.00 1.13 H new ATOM 0 HG2 PRO A 93 22.852 7.276 -4.577 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.504 7.411 -5.688 1.00 1.23 H new ATOM 0 HD2 PRO A 93 21.248 6.465 -3.104 1.00 1.00 H new ATOM 0 HD3 PRO A 93 20.139 6.042 -4.393 1.00 1.00 H new ATOM 1469 N ARG A 94 24.260 5.043 -3.206 1.00 1.03 N ATOM 1470 CA ARG A 94 25.517 5.110 -2.459 1.00 1.13 C ATOM 1471 C ARG A 94 25.612 3.997 -1.417 1.00 1.04 C ATOM 1472 O ARG A 94 26.643 3.828 -0.766 1.00 1.16 O ATOM 1473 CB ARG A 94 25.644 6.471 -1.774 1.00 1.37 C ATOM 1474 CG ARG A 94 25.564 7.641 -2.735 1.00 1.93 C ATOM 1475 CD ARG A 94 25.675 8.964 -2.005 1.00 2.43 C ATOM 1476 NE ARG A 94 25.537 10.097 -2.912 1.00 3.09 N ATOM 1477 CZ ARG A 94 25.125 11.302 -2.535 1.00 3.87 C ATOM 1478 NH1 ARG A 94 24.881 11.560 -1.255 1.00 4.14 N ATOM 1479 NH2 ARG A 94 24.978 12.261 -3.436 1.00 4.77 N ATOM 0 H ARG A 94 23.491 5.559 -2.778 1.00 1.03 H new ATOM 0 HA ARG A 94 26.334 4.977 -3.169 1.00 1.13 H new ATOM 0 HB2 ARG A 94 24.855 6.569 -1.028 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.594 6.513 -1.241 1.00 1.37 H new ATOM 0 HG2 ARG A 94 26.362 7.563 -3.473 1.00 1.93 H new ATOM 0 HG3 ARG A 94 24.621 7.602 -3.280 1.00 1.93 H new ATOM 0 HD2 ARG A 94 24.906 9.020 -1.235 1.00 2.43 H new ATOM 0 HD3 ARG A 94 26.638 9.020 -1.498 1.00 2.43 H new ATOM 0 HE ARG A 94 25.771 9.956 -3.895 1.00 3.09 H new ATOM 0 HH11 ARG A 94 25.010 10.830 -0.554 1.00 4.14 H new ATOM 0 HH12 ARG A 94 24.565 12.488 -0.973 1.00 4.14 H new ATOM 0 HH21 ARG A 94 25.181 12.074 -4.418 1.00 4.77 H new ATOM 0 HH22 ARG A 94 24.662 13.187 -3.148 1.00 4.77 H new ATOM 1493 N ASN A 95 24.540 3.228 -1.281 1.00 0.99 N ATOM 1494 CA ASN A 95 24.454 2.225 -0.214 1.00 1.00 C ATOM 1495 C ASN A 95 23.762 0.951 -0.678 1.00 0.85 C ATOM 1496 O ASN A 95 24.012 -0.121 -0.138 1.00 0.92 O ATOM 1497 CB ASN A 95 23.708 2.778 1.003 1.00 1.15 C ATOM 1498 CG ASN A 95 24.486 3.848 1.740 1.00 1.58 C ATOM 1499 OD1 ASN A 95 24.369 5.034 1.436 1.00 2.23 O ATOM 1500 ND2 ASN A 95 25.263 3.441 2.728 1.00 1.99 N ATOM 0 H ASN A 95 23.721 3.274 -1.888 1.00 0.99 H new ATOM 0 HA ASN A 95 25.480 1.983 0.062 1.00 1.00 H new ATOM 0 HB2 ASN A 95 22.752 3.190 0.680 1.00 1.15 H new ATOM 0 HB3 ASN A 95 23.487 1.960 1.689 1.00 1.15 H new ATOM 0 HD21 ASN A 95 25.795 4.121 3.272 1.00 1.99 H new ATOM 0 HD22 ASN A 95 25.331 2.447 2.947 1.00 1.99 H new ATOM 1507 N LEU A 96 22.896 1.080 -1.680 1.00 0.72 N ATOM 1508 CA LEU A 96 22.092 -0.032 -2.191 1.00 0.63 C ATOM 1509 C LEU A 96 21.264 -0.714 -1.104 1.00 0.64 C ATOM 1510 O LEU A 96 20.762 -1.820 -1.301 1.00 0.67 O ATOM 1511 CB LEU A 96 22.980 -1.054 -2.895 1.00 0.74 C ATOM 1512 CG LEU A 96 23.481 -0.681 -4.300 1.00 0.86 C ATOM 1513 CD1 LEU A 96 22.314 -0.370 -5.225 1.00 1.22 C ATOM 1514 CD2 LEU A 96 24.460 0.484 -4.250 1.00 1.76 C ATOM 0 H LEU A 96 22.730 1.962 -2.164 1.00 0.72 H new ATOM 0 HA LEU A 96 21.389 0.394 -2.907 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.848 -1.243 -2.263 1.00 0.74 H new ATOM 0 HB3 LEU A 96 22.428 -1.991 -2.968 1.00 0.74 H new ATOM 0 HG LEU A 96 24.014 -1.543 -4.701 1.00 0.86 H new ATOM 0 HD11 LEU A 96 22.693 -0.109 -6.213 1.00 1.22 H new ATOM 0 HD12 LEU A 96 21.669 -1.245 -5.303 1.00 1.22 H new ATOM 0 HD13 LEU A 96 21.743 0.467 -4.822 1.00 1.22 H new ATOM 0 HD21 LEU A 96 24.794 0.722 -5.260 1.00 1.76 H new ATOM 0 HD22 LEU A 96 23.968 1.355 -3.816 1.00 1.76 H new ATOM 0 HD23 LEU A 96 25.320 0.211 -3.638 1.00 1.76 H new ATOM 1526 N GLN A 97 21.108 -0.052 0.034 1.00 0.71 N ATOM 1527 CA GLN A 97 20.231 -0.542 1.080 1.00 0.76 C ATOM 1528 C GLN A 97 18.808 -0.131 0.732 1.00 0.64 C ATOM 1529 O GLN A 97 18.627 0.796 -0.068 1.00 0.61 O ATOM 1530 CB GLN A 97 20.677 0.013 2.445 1.00 0.94 C ATOM 1531 CG GLN A 97 20.721 1.536 2.533 1.00 1.21 C ATOM 1532 CD GLN A 97 19.378 2.157 2.864 1.00 2.02 C ATOM 1533 OE1 GLN A 97 18.562 1.560 3.562 1.00 2.29 O ATOM 1534 NE2 GLN A 97 19.141 3.359 2.366 1.00 2.81 N ATOM 0 H GLN A 97 21.579 0.826 0.253 1.00 0.71 H new ATOM 0 HA GLN A 97 20.277 -1.629 1.151 1.00 0.76 H new ATOM 0 HB2 GLN A 97 20.000 -0.362 3.213 1.00 0.94 H new ATOM 0 HB3 GLN A 97 21.668 -0.379 2.675 1.00 0.94 H new ATOM 0 HG2 GLN A 97 21.446 1.828 3.293 1.00 1.21 H new ATOM 0 HG3 GLN A 97 21.075 1.938 1.584 1.00 1.21 H new ATOM 0 HE21 GLN A 97 19.846 3.821 1.791 1.00 2.81 H new ATOM 0 HE22 GLN A 97 18.254 3.824 2.557 1.00 2.81 H new ATOM 1543 N PRO A 98 17.784 -0.802 1.286 1.00 0.62 N ATOM 1544 CA PRO A 98 16.391 -0.461 1.000 1.00 0.55 C ATOM 1545 C PRO A 98 16.069 0.962 1.418 1.00 0.55 C ATOM 1546 O PRO A 98 15.774 1.233 2.581 1.00 0.62 O ATOM 1547 CB PRO A 98 15.575 -1.470 1.816 1.00 0.60 C ATOM 1548 CG PRO A 98 16.518 -2.004 2.840 1.00 0.62 C ATOM 1549 CD PRO A 98 17.893 -1.931 2.226 1.00 0.72 C ATOM 0 HA PRO A 98 16.170 -0.510 -0.066 1.00 0.55 H new ATOM 0 HB2 PRO A 98 14.715 -0.992 2.285 1.00 0.60 H new ATOM 0 HB3 PRO A 98 15.190 -2.269 1.182 1.00 0.60 H new ATOM 0 HG2 PRO A 98 16.470 -1.417 3.757 1.00 0.62 H new ATOM 0 HG3 PRO A 98 16.264 -3.030 3.105 1.00 0.62 H new ATOM 0 HD2 PRO A 98 18.661 -1.755 2.979 1.00 0.72 H new ATOM 0 HD3 PRO A 98 18.155 -2.857 1.714 1.00 0.72 H new ATOM 1557 N GLN A 99 16.150 1.870 0.461 1.00 0.51 N ATOM 1558 CA GLN A 99 15.917 3.273 0.715 1.00 0.54 C ATOM 1559 C GLN A 99 14.453 3.486 1.051 1.00 0.50 C ATOM 1560 O GLN A 99 14.116 4.052 2.094 1.00 0.57 O ATOM 1561 CB GLN A 99 16.333 4.089 -0.517 1.00 0.56 C ATOM 1562 CG GLN A 99 15.647 5.434 -0.643 1.00 0.72 C ATOM 1563 CD GLN A 99 16.122 6.447 0.381 1.00 0.97 C ATOM 1564 OE1 GLN A 99 15.569 6.548 1.478 1.00 1.73 O ATOM 1565 NE2 GLN A 99 17.140 7.211 0.028 1.00 1.32 N ATOM 0 H GLN A 99 16.378 1.652 -0.509 1.00 0.51 H new ATOM 0 HA GLN A 99 16.514 3.608 1.563 1.00 0.54 H new ATOM 0 HB2 GLN A 99 17.411 4.247 -0.485 1.00 0.56 H new ATOM 0 HB3 GLN A 99 16.123 3.504 -1.412 1.00 0.56 H new ATOM 0 HG2 GLN A 99 15.820 5.830 -1.644 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.571 5.297 -0.536 1.00 0.72 H new ATOM 0 HE21 GLN A 99 17.570 7.096 -0.890 1.00 1.32 H new ATOM 0 HE22 GLN A 99 17.496 7.916 0.673 1.00 1.32 H new ATOM 1574 N CYS A 100 13.585 2.973 0.195 1.00 0.43 N ATOM 1575 CA CYS A 100 12.157 3.173 0.341 1.00 0.41 C ATOM 1576 C CYS A 100 11.403 2.146 -0.490 1.00 0.35 C ATOM 1577 O CYS A 100 12.001 1.350 -1.214 1.00 0.39 O ATOM 1578 CB CYS A 100 11.749 4.588 -0.098 1.00 0.45 C ATOM 1579 SG CYS A 100 12.270 5.914 1.017 1.00 0.64 S ATOM 0 H CYS A 100 13.850 2.411 -0.614 1.00 0.43 H new ATOM 0 HA CYS A 100 11.904 3.051 1.394 1.00 0.41 H new ATOM 0 HB2 CYS A 100 12.166 4.780 -1.087 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.664 4.623 -0.198 1.00 0.45 H new ATOM 0 HG CYS A 100 13.243 5.492 1.769 1.00 0.64 H new ATOM 1585 N ILE A 101 10.096 2.176 -0.374 1.00 0.29 N ATOM 1586 CA ILE A 101 9.221 1.325 -1.148 1.00 0.27 C ATOM 1587 C ILE A 101 8.296 2.217 -1.964 1.00 0.23 C ATOM 1588 O ILE A 101 7.634 3.094 -1.403 1.00 0.28 O ATOM 1589 CB ILE A 101 8.339 0.435 -0.246 1.00 0.35 C ATOM 1590 CG1 ILE A 101 9.107 -0.098 0.973 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.747 -0.716 -1.047 1.00 0.37 C ATOM 1592 CD1 ILE A 101 10.198 -1.096 0.659 1.00 0.73 C ATOM 0 H ILE A 101 9.604 2.799 0.267 1.00 0.29 H new ATOM 0 HA ILE A 101 9.838 0.682 -1.776 1.00 0.27 H new ATOM 0 HB ILE A 101 7.529 1.060 0.130 1.00 0.35 H new ATOM 0 HG12 ILE A 101 9.550 0.746 1.501 1.00 0.66 H new ATOM 0 HG13 ILE A 101 8.396 -0.564 1.655 1.00 0.66 H new ATOM 0 HG21 ILE A 101 7.128 -1.333 -0.395 1.00 0.37 H new ATOM 0 HG22 ILE A 101 7.136 -0.319 -1.858 1.00 0.37 H new ATOM 0 HG23 ILE A 101 8.552 -1.322 -1.463 1.00 0.37 H new ATOM 0 HD11 ILE A 101 10.680 -1.411 1.584 1.00 0.73 H new ATOM 0 HD12 ILE A 101 9.765 -1.964 0.161 1.00 0.73 H new ATOM 0 HD13 ILE A 101 10.937 -0.633 0.005 1.00 0.73 H new ATOM 1604 N MET A 102 8.234 2.000 -3.262 1.00 0.22 N ATOM 1605 CA MET A 102 7.383 2.803 -4.124 1.00 0.23 C ATOM 1606 C MET A 102 6.145 2.002 -4.479 1.00 0.22 C ATOM 1607 O MET A 102 6.233 1.006 -5.196 1.00 0.24 O ATOM 1608 CB MET A 102 8.124 3.215 -5.400 1.00 0.30 C ATOM 1609 CG MET A 102 9.325 4.112 -5.153 1.00 0.69 C ATOM 1610 SD MET A 102 10.170 4.579 -6.677 1.00 1.47 S ATOM 1611 CE MET A 102 8.868 5.463 -7.536 1.00 1.81 C ATOM 0 H MET A 102 8.762 1.274 -3.746 1.00 0.22 H new ATOM 0 HA MET A 102 7.100 3.712 -3.593 1.00 0.23 H new ATOM 0 HB2 MET A 102 8.455 2.317 -5.922 1.00 0.30 H new ATOM 0 HB3 MET A 102 7.428 3.730 -6.062 1.00 0.30 H new ATOM 0 HG2 MET A 102 9.000 5.013 -4.632 1.00 0.69 H new ATOM 0 HG3 MET A 102 10.027 3.599 -4.495 1.00 0.69 H new ATOM 0 HE1 MET A 102 9.302 6.063 -8.336 1.00 1.81 H new ATOM 0 HE2 MET A 102 8.162 4.749 -7.960 1.00 1.81 H new ATOM 0 HE3 MET A 102 8.347 6.115 -6.835 1.00 1.81 H new ATOM 1621 N CYS A 103 5.004 2.400 -3.947 1.00 0.25 N ATOM 1622 CA CYS A 103 3.779 1.654 -4.175 1.00 0.26 C ATOM 1623 C CYS A 103 2.762 2.481 -4.950 1.00 0.27 C ATOM 1624 O CYS A 103 2.292 3.516 -4.466 1.00 0.32 O ATOM 1625 CB CYS A 103 3.184 1.220 -2.836 1.00 0.31 C ATOM 1626 SG CYS A 103 4.308 0.241 -1.813 1.00 0.39 S ATOM 0 H CYS A 103 4.899 3.227 -3.360 1.00 0.25 H new ATOM 0 HA CYS A 103 4.022 0.775 -4.772 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.883 2.108 -2.279 1.00 0.31 H new ATOM 0 HB3 CYS A 103 2.281 0.639 -3.023 1.00 0.31 H new ATOM 0 HG CYS A 103 3.656 -0.254 -0.803 1.00 0.39 H new ATOM 1632 N VAL A 104 2.440 2.035 -6.156 1.00 0.27 N ATOM 1633 CA VAL A 104 1.382 2.657 -6.930 1.00 0.28 C ATOM 1634 C VAL A 104 0.096 1.871 -6.723 1.00 0.29 C ATOM 1635 O VAL A 104 0.010 0.695 -7.086 1.00 0.29 O ATOM 1636 CB VAL A 104 1.724 2.724 -8.432 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.660 3.495 -9.195 1.00 0.35 C ATOM 1638 CG2 VAL A 104 3.094 3.355 -8.637 1.00 0.34 C ATOM 0 H VAL A 104 2.896 1.247 -6.616 1.00 0.27 H new ATOM 0 HA VAL A 104 1.262 3.683 -6.583 1.00 0.28 H new ATOM 0 HB VAL A 104 1.750 1.707 -8.823 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.923 3.529 -10.252 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.304 2.999 -9.077 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.596 4.511 -8.804 1.00 0.35 H new ATOM 0 HG21 VAL A 104 3.320 3.395 -9.702 1.00 0.34 H new ATOM 0 HG22 VAL A 104 3.094 4.365 -8.228 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.850 2.757 -8.128 1.00 0.34 H new ATOM 1648 N ASN A 105 -0.892 2.522 -6.132 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.099 1.838 -5.693 1.00 0.30 C ATOM 1650 C ASN A 105 -3.254 2.107 -6.636 1.00 0.27 C ATOM 1651 O ASN A 105 -3.514 3.253 -7.013 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.461 2.274 -4.274 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.349 1.979 -3.287 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -0.642 0.978 -3.404 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -1.169 2.860 -2.323 1.00 0.63 N ATOM 0 H ASN A 105 -0.883 3.525 -5.945 1.00 0.29 H new ATOM 0 HA ASN A 105 -1.904 0.766 -5.698 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -2.677 3.342 -4.267 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.370 1.763 -3.959 1.00 0.33 H new ATOM 0 HD21 ASN A 105 -0.423 2.724 -1.641 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -1.776 3.677 -2.259 1.00 0.63 H new ATOM 1662 N TYR A 106 -3.958 1.046 -6.989 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.029 1.117 -7.961 1.00 0.24 C ATOM 1664 C TYR A 106 -6.333 0.651 -7.334 1.00 0.25 C ATOM 1665 O TYR A 106 -6.502 -0.540 -7.075 1.00 0.26 O ATOM 1666 CB TYR A 106 -4.718 0.228 -9.171 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.437 0.570 -9.899 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -3.404 1.571 -10.866 1.00 0.35 C ATOM 1669 CD2 TYR A 106 -2.257 -0.097 -9.606 1.00 0.31 C ATOM 1670 CE1 TYR A 106 -2.229 1.893 -11.523 1.00 0.40 C ATOM 1671 CE2 TYR A 106 -1.081 0.221 -10.253 1.00 0.35 C ATOM 1672 CZ TYR A 106 -1.093 1.182 -11.265 1.00 0.40 C ATOM 1673 OH TYR A 106 0.108 1.527 -11.845 1.00 0.48 O ATOM 0 H TYR A 106 -3.802 0.112 -6.609 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.123 2.153 -8.287 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -4.664 -0.808 -8.838 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.548 0.294 -9.875 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -4.311 2.106 -11.108 1.00 0.35 H new ATOM 0 HD2 TYR A 106 -2.259 -0.878 -8.860 1.00 0.31 H new ATOM 0 HE1 TYR A 106 -2.211 2.703 -12.237 1.00 0.40 H new ATOM 0 HE2 TYR A 106 -0.159 -0.270 -9.979 1.00 0.35 H new ATOM 0 HH TYR A 106 0.128 2.494 -12.006 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.237 1.585 -7.082 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.559 1.210 -6.596 1.00 0.28 C ATOM 1685 C VAL A 107 -9.340 0.584 -7.749 1.00 0.33 C ATOM 1686 O VAL A 107 -9.302 1.072 -8.880 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.339 2.399 -5.991 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.689 1.948 -5.450 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.525 3.060 -4.896 1.00 0.62 C ATOM 0 H VAL A 107 -7.087 2.587 -7.202 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.432 0.493 -5.785 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.518 3.126 -6.783 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -11.217 2.804 -5.030 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.280 1.518 -6.259 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.538 1.198 -4.673 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -9.087 3.896 -4.479 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -8.316 2.335 -4.110 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.586 3.425 -5.311 1.00 0.62 H new ATOM 1699 N LEU A 108 -9.995 -0.529 -7.485 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.648 -1.282 -8.542 1.00 0.39 C ATOM 1701 C LEU A 108 -12.134 -1.436 -8.267 1.00 0.44 C ATOM 1702 O LEU A 108 -12.973 -0.868 -8.963 1.00 0.60 O ATOM 1703 CB LEU A 108 -10.002 -2.659 -8.653 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.481 -2.646 -8.774 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -7.916 -3.984 -8.353 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.054 -2.322 -10.195 1.00 0.48 C ATOM 0 H LEU A 108 -10.090 -0.932 -6.553 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.530 -0.737 -9.479 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -10.277 -3.245 -7.776 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.417 -3.170 -9.522 1.00 0.44 H new ATOM 0 HG LEU A 108 -8.091 -1.870 -8.115 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -6.830 -3.965 -8.443 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -8.191 -4.186 -7.318 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -8.319 -4.767 -8.995 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -6.966 -2.319 -10.256 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -8.453 -3.074 -10.875 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -8.436 -1.340 -10.475 1.00 0.48 H new ATOM 1718 N SER A 109 -12.447 -2.211 -7.248 1.00 0.44 N ATOM 1719 CA SER A 109 -13.826 -2.488 -6.904 1.00 0.54 C ATOM 1720 C SER A 109 -14.318 -1.524 -5.832 1.00 0.64 C ATOM 1721 O SER A 109 -13.527 -0.815 -5.204 1.00 0.93 O ATOM 1722 CB SER A 109 -13.964 -3.935 -6.436 1.00 0.64 C ATOM 1723 OG SER A 109 -13.444 -4.828 -7.410 1.00 1.46 O ATOM 0 H SER A 109 -11.761 -2.662 -6.642 1.00 0.44 H new ATOM 0 HA SER A 109 -14.444 -2.346 -7.790 1.00 0.54 H new ATOM 0 HB2 SER A 109 -13.435 -4.070 -5.492 1.00 0.64 H new ATOM 0 HB3 SER A 109 -15.013 -4.164 -6.249 1.00 0.64 H new ATOM 0 HG SER A 109 -13.539 -5.750 -7.092 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.626 -1.512 -5.631 1.00 0.62 N ATOM 1730 CA GLU A 110 -16.249 -0.639 -4.651 1.00 0.74 C ATOM 1731 C GLU A 110 -16.112 -1.226 -3.249 1.00 0.59 C ATOM 1732 O GLU A 110 -15.438 -2.240 -3.057 1.00 0.55 O ATOM 1733 CB GLU A 110 -17.722 -0.432 -5.017 1.00 1.07 C ATOM 1734 CG GLU A 110 -18.467 -1.731 -5.285 1.00 1.46 C ATOM 1735 CD GLU A 110 -19.784 -1.515 -6.002 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -20.802 -1.268 -5.321 1.00 2.94 O ATOM 1737 OE2 GLU A 110 -19.813 -1.592 -7.242 1.00 2.41 O ATOM 0 H GLU A 110 -16.282 -2.104 -6.140 1.00 0.62 H new ATOM 0 HA GLU A 110 -15.745 0.328 -4.657 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -18.218 0.102 -4.207 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -17.783 0.202 -5.901 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -17.837 -2.389 -5.883 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -18.653 -2.240 -4.339 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.737 -0.577 -2.274 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.634 -1.007 -0.887 1.00 0.59 C ATOM 1746 C ILE A 111 -17.294 -2.362 -0.686 1.00 0.58 C ATOM 1747 O ILE A 111 -18.508 -2.513 -0.839 1.00 0.68 O ATOM 1748 CB ILE A 111 -17.248 0.021 0.084 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -16.578 1.383 -0.103 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -17.091 -0.456 1.523 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -17.092 2.454 0.835 1.00 0.89 C ATOM 0 H ILE A 111 -17.319 0.248 -2.419 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.571 -1.091 -0.662 1.00 0.59 H new ATOM 0 HB ILE A 111 -18.311 0.122 -0.133 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -15.504 1.271 0.043 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -16.728 1.712 -1.131 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -17.528 0.278 2.199 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -17.600 -1.412 1.647 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -16.032 -0.576 1.753 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -16.568 3.390 0.641 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -18.161 2.596 0.674 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.918 2.148 1.867 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.471 -3.338 -0.347 1.00 0.53 N ATOM 1764 CA GLU A 112 -16.913 -4.703 -0.154 1.00 0.61 C ATOM 1765 C GLU A 112 -16.678 -5.083 1.295 1.00 0.64 C ATOM 1766 O GLU A 112 -15.540 -5.211 1.732 1.00 0.73 O ATOM 1767 CB GLU A 112 -16.128 -5.627 -1.085 1.00 0.68 C ATOM 1768 CG GLU A 112 -16.907 -6.853 -1.537 1.00 1.14 C ATOM 1769 CD GLU A 112 -16.731 -8.066 -0.643 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -16.570 -7.879 0.583 1.00 1.56 O ATOM 1771 OE2 GLU A 112 -16.757 -9.203 -1.141 1.00 1.64 O ATOM 0 H GLU A 112 -15.471 -3.203 -0.197 1.00 0.53 H new ATOM 0 HA GLU A 112 -17.974 -4.799 -0.386 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -15.817 -5.062 -1.964 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -15.220 -5.952 -0.577 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -17.966 -6.600 -1.583 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -16.597 -7.114 -2.549 1.00 1.14 H new