USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 846 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 HIS : no HE2:sc= 0.354 K(o=0.7,f=-6!) USER MOD Set 1.2: A 45 TYR OH : rot 164:sc= 1.44 USER MOD Set 1.3: A 103 CYS SG : rot -179:sc= -1.1 USER MOD Set 2.1: A 10 SER OG : rot -36:sc= -1.3! USER MOD Set 2.2: A 71 TYR OH : rot -161:sc= 1.25 USER MOD Set 2.3: A 85 THR OG1 : rot -81:sc= 2 USER MOD Set 2.4: A 105 ASN : amide:sc= 1.45 K(o=3.4,f=2.2) USER MOD Set 3.1: A 59 ASN : amide:sc= 1.04 K(o=2.1,f=-8.4!) USER MOD Set 3.2: A 63 LYS NZ :NH3+ 166:sc= 1.1 (180deg=-0.306) USER MOD Set 4.1: A 13 SER OG : rot 66:sc= 1.1 USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 99 GLN :FLIP amide:sc= 0.234 F(o=1,f=2.3) USER MOD Set 4.4: A 100 CYS SG : rot 31:sc= 0.937 USER MOD Set 5.1: A 16 MET CE :methyl 164:sc= -2.8! (180deg=-3.11!) USER MOD Set 5.2: A 57 HIS : no HD1:sc= 0.197 K(o=-2.6,f=-3.9) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.043 (180deg=-0.312) USER MOD Single : A 7 THR OG1 : rot -111:sc= 0.23 USER MOD Single : A 14 MET CE :methyl -162:sc= -0.253 (180deg=-1.02) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -31:sc= -2.28! USER MOD Single : A 26 THR OG1 : rot -75:sc= 1.29 USER MOD Single : A 31 TYR OH : rot 104:sc= 0.0031 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -1.32 F(o=-3!,f=-1.3) USER MOD Single : A 40 SER OG : rot -85:sc= 0.121 USER MOD Single : A 42 TYR OH : rot -21:sc= 1.09 USER MOD Single : A 46 HIS : no HD1:sc= -6.51! C(o=-6.5!,f=-11!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 53 MET CE :methyl -141:sc= -0.09 (180deg=-0.454) USER MOD Single : A 54 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 0.626 (180deg=0.604) USER MOD Single : A 56 SER OG : rot 180:sc= -0.148 USER MOD Single : A 58 GLN : amide:sc= -0.0385 X(o=-0.039,f=-0.026) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 86:sc= 0.406 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 73 MET CE :methyl -128:sc= 0 (180deg=-0.632) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.282 F(o=-1.1,f=-0.28) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.215 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 91 TYR OH : rot -179:sc= -0.884! USER MOD Single : A 92 ASN : amide:sc= 0.191 K(o=0.19,f=-8!) USER MOD Single : A 95 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.3!) USER MOD Single : A 97 GLN :FLIP amide:sc= -0.214 F(o=-1.8!,f=-0.21) USER MOD Single : A 102 MET CE :methyl -145:sc= -0.555 (180deg=-3.66!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 6 -9.125 6.060 -9.603 1.00 0.74 N ATOM 61 CA LYS A 6 -8.800 6.054 -8.185 1.00 0.49 C ATOM 62 C LYS A 6 -7.417 5.460 -7.955 1.00 0.39 C ATOM 63 O LYS A 6 -7.268 4.303 -7.565 1.00 0.48 O ATOM 64 CB LYS A 6 -9.868 5.302 -7.384 1.00 0.68 C ATOM 65 CG LYS A 6 -11.255 5.913 -7.505 1.00 0.95 C ATOM 66 CD LYS A 6 -11.274 7.358 -7.027 1.00 1.62 C ATOM 67 CE LYS A 6 -12.593 8.040 -7.340 1.00 2.01 C ATOM 68 NZ LYS A 6 -12.813 8.180 -8.804 1.00 2.61 N ATOM 0 HA LYS A 6 -8.786 7.085 -7.831 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.904 4.267 -7.723 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.578 5.283 -6.334 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -11.584 5.868 -8.543 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.964 5.326 -6.921 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -11.096 7.387 -5.952 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -10.460 7.908 -7.500 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -13.411 7.466 -6.904 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -12.611 9.025 -6.875 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -13.556 8.886 -8.977 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -11.930 8.487 -9.260 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -13.107 7.264 -9.200 1.00 2.61 H new ATOM 82 N THR A 7 -6.407 6.259 -8.228 1.00 0.30 N ATOM 83 CA THR A 7 -5.034 5.816 -8.135 1.00 0.27 C ATOM 84 C THR A 7 -4.222 6.828 -7.341 1.00 0.21 C ATOM 85 O THR A 7 -4.259 8.024 -7.633 1.00 0.22 O ATOM 86 CB THR A 7 -4.433 5.635 -9.544 1.00 0.33 C ATOM 87 OG1 THR A 7 -5.248 4.726 -10.300 1.00 0.43 O ATOM 88 CG2 THR A 7 -3.008 5.108 -9.475 1.00 0.34 C ATOM 0 H THR A 7 -6.515 7.230 -8.520 1.00 0.30 H new ATOM 0 HA THR A 7 -5.004 4.855 -7.622 1.00 0.27 H new ATOM 0 HB THR A 7 -4.410 6.609 -10.033 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.760 3.888 -10.439 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.614 4.992 -10.485 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.386 5.812 -8.921 1.00 0.34 H new ATOM 0 HG23 THR A 7 -3.001 4.142 -8.969 1.00 0.34 H new ATOM 96 N PHE A 8 -3.527 6.363 -6.318 1.00 0.19 N ATOM 97 CA PHE A 8 -2.734 7.260 -5.492 1.00 0.18 C ATOM 98 C PHE A 8 -1.321 6.722 -5.311 1.00 0.19 C ATOM 99 O PHE A 8 -1.114 5.514 -5.157 1.00 0.22 O ATOM 100 CB PHE A 8 -3.413 7.500 -4.130 1.00 0.21 C ATOM 101 CG PHE A 8 -3.163 6.448 -3.079 1.00 0.23 C ATOM 102 CD1 PHE A 8 -3.821 5.229 -3.142 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.259 6.663 -2.049 1.00 0.27 C ATOM 104 CE1 PHE A 8 -3.587 4.250 -2.198 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.019 5.683 -1.105 1.00 0.36 C ATOM 106 CZ PHE A 8 -2.720 4.539 -1.107 1.00 0.40 C ATOM 0 H PHE A 8 -3.494 5.382 -6.040 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.666 8.219 -6.005 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.077 8.462 -3.742 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.488 7.579 -4.290 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.525 5.044 -3.940 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -1.737 7.606 -1.984 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -4.054 3.280 -2.286 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.257 5.840 -0.356 1.00 0.36 H new ATOM 0 HZ PHE A 8 -2.627 3.843 -0.287 1.00 0.40 H new ATOM 116 N LEU A 9 -0.353 7.625 -5.371 1.00 0.18 N ATOM 117 CA LEU A 9 1.039 7.284 -5.137 1.00 0.20 C ATOM 118 C LEU A 9 1.274 7.160 -3.637 1.00 0.20 C ATOM 119 O LEU A 9 0.745 7.941 -2.850 1.00 0.33 O ATOM 120 CB LEU A 9 1.948 8.361 -5.757 1.00 0.22 C ATOM 121 CG LEU A 9 3.410 7.961 -6.017 1.00 0.27 C ATOM 122 CD1 LEU A 9 4.228 7.967 -4.735 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.473 6.595 -6.682 1.00 0.37 C ATOM 0 H LEU A 9 -0.511 8.610 -5.582 1.00 0.18 H new ATOM 0 HA LEU A 9 1.278 6.330 -5.608 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.507 8.675 -6.703 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.944 9.230 -5.099 1.00 0.22 H new ATOM 0 HG LEU A 9 3.844 8.702 -6.688 1.00 0.27 H new ATOM 0 HD11 LEU A 9 5.256 7.679 -4.958 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.217 8.967 -4.301 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.799 7.259 -4.026 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.514 6.325 -6.860 1.00 0.37 H new ATOM 0 HD22 LEU A 9 3.011 5.852 -6.032 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.939 6.628 -7.632 1.00 0.37 H new ATOM 135 N SER A 10 2.056 6.179 -3.238 1.00 0.32 N ATOM 136 CA SER A 10 2.310 5.951 -1.830 1.00 0.32 C ATOM 137 C SER A 10 3.737 5.487 -1.611 1.00 0.28 C ATOM 138 O SER A 10 4.414 5.066 -2.552 1.00 0.29 O ATOM 139 CB SER A 10 1.333 4.916 -1.284 1.00 0.41 C ATOM 140 OG SER A 10 1.335 3.747 -2.082 1.00 1.10 O ATOM 0 H SER A 10 2.526 5.528 -3.867 1.00 0.32 H new ATOM 0 HA SER A 10 2.168 6.891 -1.297 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.602 4.661 -0.259 1.00 0.41 H new ATOM 0 HB3 SER A 10 0.329 5.339 -1.254 1.00 0.41 H new ATOM 0 HG SER A 10 1.452 3.994 -3.023 1.00 1.10 H new ATOM 146 N ARG A 11 4.184 5.546 -0.367 1.00 0.28 N ATOM 147 CA ARG A 11 5.512 5.076 -0.026 1.00 0.30 C ATOM 148 C ARG A 11 5.498 4.355 1.302 1.00 0.21 C ATOM 149 O ARG A 11 4.803 4.743 2.241 1.00 0.21 O ATOM 150 CB ARG A 11 6.544 6.197 0.059 1.00 0.51 C ATOM 151 CG ARG A 11 6.642 7.065 -1.179 1.00 0.99 C ATOM 152 CD ARG A 11 8.014 7.699 -1.284 1.00 1.00 C ATOM 153 NE ARG A 11 8.408 8.376 -0.051 1.00 1.28 N ATOM 154 CZ ARG A 11 8.673 9.679 0.035 1.00 1.70 C ATOM 155 NH1 ARG A 11 8.512 10.470 -1.020 1.00 1.99 N ATOM 156 NH2 ARG A 11 9.090 10.193 1.186 1.00 2.46 N ATOM 0 H ARG A 11 3.647 5.914 0.419 1.00 0.28 H new ATOM 0 HA ARG A 11 5.800 4.404 -0.834 1.00 0.30 H new ATOM 0 HB2 ARG A 11 6.302 6.831 0.912 1.00 0.51 H new ATOM 0 HB3 ARG A 11 7.522 5.758 0.256 1.00 0.51 H new ATOM 0 HG2 ARG A 11 6.445 6.464 -2.067 1.00 0.99 H new ATOM 0 HG3 ARG A 11 5.879 7.842 -1.145 1.00 0.99 H new ATOM 0 HD2 ARG A 11 8.749 6.931 -1.525 1.00 1.00 H new ATOM 0 HD3 ARG A 11 8.019 8.414 -2.106 1.00 1.00 H new ATOM 0 HE ARG A 11 8.485 7.816 0.798 1.00 1.28 H new ATOM 0 HH11 ARG A 11 8.183 10.081 -1.904 1.00 1.99 H new ATOM 0 HH12 ARG A 11 8.717 11.466 -0.946 1.00 1.99 H new ATOM 0 HH21 ARG A 11 9.207 9.591 2.001 1.00 2.46 H new ATOM 0 HH22 ARG A 11 9.294 11.190 1.255 1.00 2.46 H new ATOM 170 N HIS A 12 6.265 3.296 1.355 1.00 0.25 N ATOM 171 CA HIS A 12 6.557 2.602 2.586 1.00 0.32 C ATOM 172 C HIS A 12 8.053 2.737 2.811 1.00 0.32 C ATOM 173 O HIS A 12 8.745 3.262 1.950 1.00 0.36 O ATOM 174 CB HIS A 12 6.174 1.118 2.484 1.00 0.36 C ATOM 175 CG HIS A 12 4.756 0.845 2.057 1.00 0.41 C ATOM 176 ND1 HIS A 12 3.854 0.169 2.849 1.00 0.89 N ATOM 177 CD2 HIS A 12 4.105 1.099 0.893 1.00 0.41 C ATOM 178 CE1 HIS A 12 2.724 0.013 2.192 1.00 0.86 C ATOM 179 NE2 HIS A 12 2.845 0.570 1.004 1.00 0.51 N ATOM 0 H HIS A 12 6.711 2.885 0.535 1.00 0.25 H new ATOM 0 HA HIS A 12 5.986 3.026 3.412 1.00 0.32 H new ATOM 0 HB2 HIS A 12 6.848 0.634 1.777 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.340 0.650 3.454 1.00 0.36 H new ATOM 0 HD1 HIS A 12 4.034 -0.160 3.798 1.00 0.89 H new ATOM 0 HD2 HIS A 12 4.506 1.622 0.037 1.00 0.41 H new ATOM 0 HE1 HIS A 12 1.843 -0.489 2.565 1.00 0.86 H new ATOM 188 N SER A 13 8.561 2.293 3.938 1.00 0.32 N ATOM 189 CA SER A 13 10.002 2.266 4.137 1.00 0.35 C ATOM 190 C SER A 13 10.369 1.084 5.009 1.00 0.43 C ATOM 191 O SER A 13 9.669 0.819 5.980 1.00 0.91 O ATOM 192 CB SER A 13 10.478 3.572 4.782 1.00 0.68 C ATOM 193 OG SER A 13 11.892 3.625 4.888 1.00 1.70 O ATOM 0 H SER A 13 8.011 1.949 4.725 1.00 0.32 H new ATOM 0 HA SER A 13 10.494 2.165 3.170 1.00 0.35 H new ATOM 0 HB2 SER A 13 10.126 4.418 4.191 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.036 3.670 5.773 1.00 0.68 H new ATOM 0 HG SER A 13 12.286 3.655 3.991 1.00 1.70 H new ATOM 199 N MET A 14 11.443 0.383 4.619 1.00 0.27 N ATOM 200 CA MET A 14 11.978 -0.785 5.340 1.00 0.36 C ATOM 201 C MET A 14 10.882 -1.740 5.831 1.00 0.33 C ATOM 202 O MET A 14 10.550 -2.718 5.155 1.00 0.40 O ATOM 203 CB MET A 14 12.850 -0.317 6.509 1.00 0.56 C ATOM 204 CG MET A 14 13.592 -1.437 7.219 1.00 1.35 C ATOM 205 SD MET A 14 14.657 -0.828 8.541 1.00 1.76 S ATOM 206 CE MET A 14 15.749 0.251 7.618 1.00 2.75 C ATOM 0 H MET A 14 11.975 0.614 3.780 1.00 0.27 H new ATOM 0 HA MET A 14 12.583 -1.352 4.633 1.00 0.36 H new ATOM 0 HB2 MET A 14 13.576 0.407 6.139 1.00 0.56 H new ATOM 0 HB3 MET A 14 12.221 0.203 7.232 1.00 0.56 H new ATOM 0 HG2 MET A 14 12.871 -2.141 7.633 1.00 1.35 H new ATOM 0 HG3 MET A 14 14.194 -1.986 6.495 1.00 1.35 H new ATOM 0 HE1 MET A 14 16.644 0.452 8.206 1.00 2.75 H new ATOM 0 HE2 MET A 14 16.030 -0.231 6.682 1.00 2.75 H new ATOM 0 HE3 MET A 14 15.238 1.189 7.404 1.00 2.75 H new ATOM 216 N ASP A 15 10.325 -1.428 6.998 1.00 0.36 N ATOM 217 CA ASP A 15 9.249 -2.207 7.616 1.00 0.41 C ATOM 218 C ASP A 15 8.020 -2.286 6.708 1.00 0.34 C ATOM 219 O ASP A 15 7.200 -3.191 6.852 1.00 0.41 O ATOM 220 CB ASP A 15 8.869 -1.568 8.959 1.00 0.56 C ATOM 221 CG ASP A 15 7.733 -2.279 9.676 1.00 1.18 C ATOM 222 OD1 ASP A 15 7.946 -3.404 10.173 1.00 2.07 O ATOM 223 OD2 ASP A 15 6.628 -1.701 9.774 1.00 1.49 O ATOM 0 H ASP A 15 10.609 -0.619 7.550 1.00 0.36 H new ATOM 0 HA ASP A 15 9.608 -3.224 7.775 1.00 0.41 H new ATOM 0 HB2 ASP A 15 9.745 -1.558 9.607 1.00 0.56 H new ATOM 0 HB3 ASP A 15 8.586 -0.529 8.789 1.00 0.56 H new ATOM 228 N MET A 16 7.913 -1.337 5.769 1.00 0.29 N ATOM 229 CA MET A 16 6.784 -1.267 4.837 1.00 0.35 C ATOM 230 C MET A 16 5.540 -0.766 5.567 1.00 0.37 C ATOM 231 O MET A 16 4.409 -1.041 5.171 1.00 0.69 O ATOM 232 CB MET A 16 6.534 -2.639 4.167 1.00 0.49 C ATOM 233 CG MET A 16 5.451 -2.628 3.093 1.00 0.67 C ATOM 234 SD MET A 16 5.377 -4.157 2.137 1.00 0.73 S ATOM 235 CE MET A 16 6.691 -3.875 0.953 1.00 0.48 C ATOM 0 H MET A 16 8.605 -0.599 5.636 1.00 0.29 H new ATOM 0 HA MET A 16 7.024 -0.560 4.043 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.466 -2.988 3.722 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.258 -3.360 4.936 1.00 0.49 H new ATOM 0 HG2 MET A 16 4.483 -2.455 3.564 1.00 0.67 H new ATOM 0 HG3 MET A 16 5.629 -1.793 2.416 1.00 0.67 H new ATOM 0 HE1 MET A 16 6.964 -4.819 0.481 1.00 0.48 H new ATOM 0 HE2 MET A 16 6.350 -3.174 0.191 1.00 0.48 H new ATOM 0 HE3 MET A 16 7.559 -3.460 1.465 1.00 0.48 H new ATOM 245 N LYS A 17 5.753 0.026 6.604 1.00 0.31 N ATOM 246 CA LYS A 17 4.645 0.494 7.418 1.00 0.31 C ATOM 247 C LYS A 17 3.825 1.571 6.687 1.00 0.27 C ATOM 248 O LYS A 17 2.647 1.356 6.444 1.00 0.29 O ATOM 249 CB LYS A 17 5.173 0.987 8.773 1.00 0.42 C ATOM 250 CG LYS A 17 6.193 2.103 8.687 1.00 0.59 C ATOM 251 CD LYS A 17 7.020 2.211 9.959 1.00 0.70 C ATOM 252 CE LYS A 17 6.155 2.457 11.183 1.00 0.98 C ATOM 253 NZ LYS A 17 6.950 2.447 12.439 1.00 1.40 N ATOM 0 H LYS A 17 6.672 0.355 6.900 1.00 0.31 H new ATOM 0 HA LYS A 17 3.963 -0.337 7.600 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.330 1.329 9.373 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.620 0.145 9.302 1.00 0.42 H new ATOM 0 HG2 LYS A 17 6.853 1.927 7.838 1.00 0.59 H new ATOM 0 HG3 LYS A 17 5.683 3.049 8.504 1.00 0.59 H new ATOM 0 HD2 LYS A 17 7.592 1.294 10.098 1.00 0.70 H new ATOM 0 HD3 LYS A 17 7.740 3.023 9.855 1.00 0.70 H new ATOM 0 HE2 LYS A 17 5.649 3.417 11.082 1.00 0.98 H new ATOM 0 HE3 LYS A 17 5.380 1.693 11.239 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 6.321 2.619 13.249 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 7.413 1.522 12.550 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 7.673 3.193 12.398 1.00 1.40 H new ATOM 267 N PHE A 18 4.478 2.684 6.315 1.00 0.29 N ATOM 268 CA PHE A 18 3.910 3.769 5.478 1.00 0.30 C ATOM 269 C PHE A 18 4.620 5.076 5.816 1.00 0.38 C ATOM 270 O PHE A 18 4.559 5.541 6.948 1.00 0.68 O ATOM 271 CB PHE A 18 2.394 3.970 5.661 1.00 0.27 C ATOM 272 CG PHE A 18 1.579 3.611 4.438 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.551 4.449 3.329 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.842 2.435 4.393 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.807 4.125 2.211 1.00 0.46 C ATOM 276 CE2 PHE A 18 0.099 2.111 3.274 1.00 0.38 C ATOM 277 CZ PHE A 18 0.076 2.947 2.190 1.00 0.44 C ATOM 0 H PHE A 18 5.443 2.865 6.593 1.00 0.29 H new ATOM 0 HA PHE A 18 4.066 3.475 4.440 1.00 0.30 H new ATOM 0 HB2 PHE A 18 2.056 3.365 6.502 1.00 0.27 H new ATOM 0 HB3 PHE A 18 2.204 5.011 5.920 1.00 0.27 H new ATOM 0 HD1 PHE A 18 2.120 5.367 3.342 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.850 1.767 5.241 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.795 4.786 1.357 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.468 1.192 3.254 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.510 2.689 1.320 1.00 0.44 H new ATOM 287 N THR A 19 5.321 5.636 4.846 1.00 0.21 N ATOM 288 CA THR A 19 6.080 6.863 5.055 1.00 0.23 C ATOM 289 C THR A 19 5.540 8.034 4.234 1.00 0.22 C ATOM 290 O THR A 19 5.822 9.192 4.542 1.00 0.26 O ATOM 291 CB THR A 19 7.567 6.650 4.739 1.00 0.30 C ATOM 292 OG1 THR A 19 7.716 5.953 3.492 1.00 0.63 O ATOM 293 CG2 THR A 19 8.239 5.865 5.855 1.00 0.43 C ATOM 0 H THR A 19 5.382 5.260 3.900 1.00 0.21 H new ATOM 0 HA THR A 19 5.967 7.118 6.109 1.00 0.23 H new ATOM 0 HB THR A 19 8.046 7.626 4.658 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.669 5.824 3.301 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.293 5.722 5.616 1.00 0.43 H new ATOM 0 HG22 THR A 19 8.151 6.416 6.791 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.756 4.894 5.959 1.00 0.43 H new ATOM 301 N TYR A 20 4.763 7.739 3.200 1.00 0.21 N ATOM 302 CA TYR A 20 4.136 8.790 2.402 1.00 0.23 C ATOM 303 C TYR A 20 2.817 8.313 1.826 1.00 0.21 C ATOM 304 O TYR A 20 2.675 7.149 1.444 1.00 0.22 O ATOM 305 CB TYR A 20 5.065 9.270 1.277 1.00 0.31 C ATOM 306 CG TYR A 20 4.374 10.084 0.198 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.199 11.456 0.329 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.893 9.471 -0.955 1.00 0.46 C ATOM 309 CE1 TYR A 20 3.564 12.191 -0.656 1.00 0.60 C ATOM 310 CE2 TYR A 20 3.256 10.198 -1.938 1.00 0.57 C ATOM 311 CZ TYR A 20 3.096 11.556 -1.788 1.00 0.64 C ATOM 312 OH TYR A 20 2.459 12.278 -2.770 1.00 0.77 O ATOM 0 H TYR A 20 4.552 6.789 2.894 1.00 0.21 H new ATOM 0 HA TYR A 20 3.944 9.634 3.064 1.00 0.23 H new ATOM 0 HB2 TYR A 20 5.863 9.871 1.713 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.535 8.402 0.815 1.00 0.31 H new ATOM 0 HD1 TYR A 20 4.564 11.956 1.214 1.00 0.48 H new ATOM 0 HD2 TYR A 20 4.021 8.406 -1.082 1.00 0.46 H new ATOM 0 HE1 TYR A 20 3.435 13.257 -0.539 1.00 0.60 H new ATOM 0 HE2 TYR A 20 2.884 9.703 -2.823 1.00 0.57 H new ATOM 0 HH TYR A 20 2.194 11.678 -3.498 1.00 0.77 H new ATOM 322 N CYS A 21 1.852 9.216 1.780 1.00 0.19 N ATOM 323 CA CYS A 21 0.561 8.938 1.194 1.00 0.19 C ATOM 324 C CYS A 21 0.109 10.118 0.350 1.00 0.18 C ATOM 325 O CYS A 21 0.206 11.268 0.776 1.00 0.21 O ATOM 326 CB CYS A 21 -0.461 8.677 2.293 1.00 0.20 C ATOM 327 SG CYS A 21 -0.105 7.231 3.303 1.00 0.34 S ATOM 0 H CYS A 21 1.946 10.162 2.150 1.00 0.19 H new ATOM 0 HA CYS A 21 0.644 8.055 0.561 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.515 9.553 2.939 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.444 8.555 1.838 1.00 0.20 H new ATOM 0 HG CYS A 21 0.518 6.344 2.586 1.00 0.34 H new ATOM 333 N ASP A 22 -0.344 9.826 -0.854 1.00 0.17 N ATOM 334 CA ASP A 22 -0.913 10.847 -1.730 1.00 0.18 C ATOM 335 C ASP A 22 -2.226 11.371 -1.150 1.00 0.18 C ATOM 336 O ASP A 22 -2.865 10.695 -0.346 1.00 0.20 O ATOM 337 CB ASP A 22 -1.140 10.260 -3.123 1.00 0.20 C ATOM 338 CG ASP A 22 -1.568 11.291 -4.147 1.00 0.27 C ATOM 339 OD1 ASP A 22 -2.758 11.668 -4.162 1.00 0.55 O ATOM 340 OD2 ASP A 22 -0.715 11.719 -4.949 1.00 0.67 O ATOM 0 H ASP A 22 -0.331 8.888 -1.254 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.216 11.681 -1.807 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.221 9.782 -3.462 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -1.901 9.482 -3.062 1.00 0.20 H new ATOM 345 N ASP A 23 -2.632 12.564 -1.572 1.00 0.20 N ATOM 346 CA ASP A 23 -3.834 13.209 -1.037 1.00 0.23 C ATOM 347 C ASP A 23 -5.068 12.372 -1.328 1.00 0.21 C ATOM 348 O ASP A 23 -6.027 12.365 -0.557 1.00 0.23 O ATOM 349 CB ASP A 23 -4.015 14.612 -1.630 1.00 0.31 C ATOM 350 CG ASP A 23 -5.291 15.289 -1.153 1.00 1.33 C ATOM 351 OD1 ASP A 23 -5.307 15.798 -0.011 1.00 1.97 O ATOM 352 OD2 ASP A 23 -6.283 15.315 -1.918 1.00 2.12 O ATOM 0 H ASP A 23 -2.147 13.108 -2.285 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.708 13.296 0.042 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -3.158 15.229 -1.361 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -4.029 14.544 -2.718 1.00 0.31 H new ATOM 357 N ARG A 24 -5.016 11.642 -2.436 1.00 0.20 N ATOM 358 CA ARG A 24 -6.134 10.823 -2.888 1.00 0.21 C ATOM 359 C ARG A 24 -6.576 9.808 -1.836 1.00 0.19 C ATOM 360 O ARG A 24 -7.732 9.378 -1.827 1.00 0.21 O ATOM 361 CB ARG A 24 -5.756 10.089 -4.164 1.00 0.24 C ATOM 362 CG ARG A 24 -5.510 10.998 -5.358 1.00 0.66 C ATOM 363 CD ARG A 24 -6.729 11.840 -5.708 1.00 1.23 C ATOM 364 NE ARG A 24 -6.930 12.957 -4.782 1.00 1.64 N ATOM 365 CZ ARG A 24 -7.974 13.780 -4.838 1.00 2.49 C ATOM 366 NH1 ARG A 24 -8.932 13.571 -5.734 1.00 3.22 N ATOM 367 NH2 ARG A 24 -8.062 14.803 -3.992 1.00 2.98 N ATOM 0 H ARG A 24 -4.199 11.601 -3.045 1.00 0.20 H new ATOM 0 HA ARG A 24 -6.970 11.498 -3.071 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -4.857 9.501 -3.979 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.551 9.386 -4.414 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -4.667 11.655 -5.143 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -5.230 10.393 -6.220 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -6.619 12.228 -6.720 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -7.616 11.207 -5.705 1.00 1.23 H new ATOM 0 HE ARG A 24 -6.232 13.112 -4.055 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -8.866 12.781 -6.376 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -9.734 14.200 -5.780 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -7.329 14.957 -3.300 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -8.863 15.433 -4.036 1.00 2.98 H new ATOM 381 N ILE A 25 -5.667 9.440 -0.938 1.00 0.17 N ATOM 382 CA ILE A 25 -5.950 8.401 0.044 1.00 0.18 C ATOM 383 C ILE A 25 -7.106 8.810 0.961 1.00 0.19 C ATOM 384 O ILE A 25 -7.838 7.960 1.466 1.00 0.21 O ATOM 385 CB ILE A 25 -4.699 8.039 0.882 1.00 0.19 C ATOM 386 CG1 ILE A 25 -4.953 6.759 1.670 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.324 9.173 1.826 1.00 0.19 C ATOM 388 CD1 ILE A 25 -3.717 6.188 2.321 1.00 0.76 C ATOM 0 H ILE A 25 -4.733 9.844 -0.871 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.245 7.511 -0.512 1.00 0.18 H new ATOM 0 HB ILE A 25 -3.865 7.880 0.199 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -5.698 6.959 2.440 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.379 6.011 1.002 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.442 8.891 2.402 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.108 10.071 1.248 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.153 9.370 2.506 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -3.978 5.279 2.863 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -2.977 5.954 1.555 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.302 6.918 3.016 1.00 0.76 H new ATOM 400 N THR A 26 -7.272 10.115 1.155 1.00 0.20 N ATOM 401 CA THR A 26 -8.387 10.649 1.930 1.00 0.22 C ATOM 402 C THR A 26 -9.727 10.154 1.383 1.00 0.25 C ATOM 403 O THR A 26 -10.654 9.853 2.140 1.00 0.31 O ATOM 404 CB THR A 26 -8.377 12.192 1.921 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.390 12.680 0.571 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.152 12.731 2.642 1.00 0.26 C ATOM 0 H THR A 26 -6.643 10.827 0.783 1.00 0.20 H new ATOM 0 HA THR A 26 -8.266 10.294 2.953 1.00 0.22 H new ATOM 0 HB THR A 26 -9.270 12.537 2.441 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.505 12.556 0.170 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.168 13.821 2.622 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.158 12.387 3.676 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.250 12.372 2.145 1.00 0.26 H new ATOM 414 N GLU A 27 -9.809 10.055 0.064 1.00 0.25 N ATOM 415 CA GLU A 27 -11.030 9.622 -0.600 1.00 0.30 C ATOM 416 C GLU A 27 -11.020 8.116 -0.851 1.00 0.33 C ATOM 417 O GLU A 27 -12.057 7.530 -1.169 1.00 0.43 O ATOM 418 CB GLU A 27 -11.195 10.357 -1.933 1.00 0.38 C ATOM 419 CG GLU A 27 -11.247 11.871 -1.800 1.00 0.55 C ATOM 420 CD GLU A 27 -12.408 12.348 -0.951 1.00 1.43 C ATOM 421 OE1 GLU A 27 -13.558 12.329 -1.438 1.00 1.63 O ATOM 422 OE2 GLU A 27 -12.176 12.746 0.210 1.00 2.28 O ATOM 0 H GLU A 27 -9.040 10.270 -0.570 1.00 0.25 H new ATOM 0 HA GLU A 27 -11.867 9.859 0.057 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.368 10.088 -2.590 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.110 10.013 -2.416 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -10.314 12.225 -1.362 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -11.322 12.316 -2.792 1.00 0.55 H new ATOM 429 N LEU A 28 -9.853 7.495 -0.715 1.00 0.27 N ATOM 430 CA LEU A 28 -9.702 6.082 -1.064 1.00 0.30 C ATOM 431 C LEU A 28 -9.724 5.172 0.166 1.00 0.31 C ATOM 432 O LEU A 28 -10.550 4.270 0.261 1.00 0.35 O ATOM 433 CB LEU A 28 -8.407 5.874 -1.854 1.00 0.30 C ATOM 434 CG LEU A 28 -8.294 6.717 -3.125 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.027 6.373 -3.889 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.519 6.529 -4.006 1.00 0.32 C ATOM 0 H LEU A 28 -9.003 7.941 -0.369 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.557 5.806 -1.682 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.561 6.102 -1.206 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.327 4.821 -2.124 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.241 7.766 -2.833 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -6.968 6.985 -4.789 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.159 6.568 -3.260 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.044 5.319 -4.167 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.418 7.138 -4.905 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.608 5.479 -4.287 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.411 6.835 -3.459 1.00 0.32 H new ATOM 448 N ILE A 29 -8.828 5.423 1.112 1.00 0.28 N ATOM 449 CA ILE A 29 -8.689 4.555 2.280 1.00 0.30 C ATOM 450 C ILE A 29 -9.292 5.240 3.510 1.00 0.29 C ATOM 451 O ILE A 29 -9.360 4.679 4.604 1.00 0.33 O ATOM 452 CB ILE A 29 -7.204 4.181 2.521 1.00 0.30 C ATOM 453 CG1 ILE A 29 -6.585 3.635 1.228 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.073 3.149 3.632 1.00 0.34 C ATOM 455 CD1 ILE A 29 -5.160 3.144 1.381 1.00 1.10 C ATOM 0 H ILE A 29 -8.188 6.217 1.096 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.233 3.628 2.095 1.00 0.30 H new ATOM 0 HB ILE A 29 -6.672 5.082 2.826 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -7.202 2.815 0.861 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -6.609 4.417 0.469 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.021 2.905 3.780 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -7.485 3.555 4.556 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -7.619 2.247 3.357 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -4.797 2.775 0.422 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -4.526 3.965 1.717 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -5.129 2.339 2.115 1.00 1.10 H new ATOM 467 N GLY A 30 -9.769 6.455 3.297 1.00 0.27 N ATOM 468 CA GLY A 30 -10.465 7.189 4.335 1.00 0.29 C ATOM 469 C GLY A 30 -9.572 7.863 5.360 1.00 0.28 C ATOM 470 O GLY A 30 -10.001 8.821 6.001 1.00 0.32 O ATOM 0 H GLY A 30 -9.685 6.953 2.411 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.089 7.949 3.864 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.135 6.504 4.855 1.00 0.29 H new ATOM 474 N TYR A 31 -8.339 7.402 5.535 1.00 0.28 N ATOM 475 CA TYR A 31 -7.458 8.031 6.502 1.00 0.33 C ATOM 476 C TYR A 31 -6.842 9.281 5.896 1.00 0.34 C ATOM 477 O TYR A 31 -7.162 9.660 4.767 1.00 0.43 O ATOM 478 CB TYR A 31 -6.350 7.083 6.954 1.00 0.38 C ATOM 479 CG TYR A 31 -6.830 5.756 7.500 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.386 5.665 8.768 1.00 0.45 C ATOM 481 CD2 TYR A 31 -6.707 4.591 6.754 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.808 4.450 9.276 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.131 3.374 7.253 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.678 3.308 8.515 1.00 0.46 C ATOM 485 OH TYR A 31 -8.100 2.098 9.015 1.00 0.53 O ATOM 0 H TYR A 31 -7.936 6.612 5.031 1.00 0.28 H new ATOM 0 HA TYR A 31 -8.054 8.294 7.376 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -5.687 6.894 6.110 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.756 7.581 7.720 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -7.491 6.557 9.368 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.272 4.637 5.766 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -8.238 4.396 10.265 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.034 2.479 6.656 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.947 1.846 8.591 1.00 0.53 H new ATOM 495 N HIS A 32 -5.964 9.922 6.639 1.00 0.31 N ATOM 496 CA HIS A 32 -5.235 11.072 6.134 1.00 0.34 C ATOM 497 C HIS A 32 -3.833 10.611 5.755 1.00 0.23 C ATOM 498 O HIS A 32 -3.328 9.662 6.348 1.00 0.23 O ATOM 499 CB HIS A 32 -5.151 12.150 7.220 1.00 0.52 C ATOM 500 CG HIS A 32 -5.147 13.558 6.709 1.00 0.68 C ATOM 501 ND1 HIS A 32 -5.776 14.125 5.655 1.00 1.52 N flip ATOM 502 CD2 HIS A 32 -4.445 14.573 7.323 1.00 1.52 C flip ATOM 503 CE1 HIS A 32 -5.438 15.454 5.649 1.00 1.90 C flip ATOM 504 NE2 HIS A 32 -4.636 15.699 6.664 1.00 1.89 N flip ATOM 0 H HIS A 32 -5.736 9.666 7.600 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.743 11.492 5.266 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -5.994 12.028 7.900 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -4.245 11.988 7.804 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -3.834 14.463 8.206 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -5.776 16.183 4.927 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -4.232 16.605 6.900 1.00 1.89 H new ATOM 513 N PRO A 33 -3.189 11.235 4.758 1.00 0.24 N ATOM 514 CA PRO A 33 -1.786 10.951 4.447 1.00 0.27 C ATOM 515 C PRO A 33 -0.924 10.975 5.704 1.00 0.25 C ATOM 516 O PRO A 33 -0.113 10.080 5.941 1.00 0.29 O ATOM 517 CB PRO A 33 -1.403 12.096 3.517 1.00 0.34 C ATOM 518 CG PRO A 33 -2.673 12.461 2.829 1.00 0.33 C ATOM 519 CD PRO A 33 -3.769 12.224 3.829 1.00 0.29 C ATOM 0 HA PRO A 33 -1.641 9.964 4.009 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -0.997 12.940 4.074 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -0.639 11.788 2.803 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.657 13.502 2.507 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -2.822 11.854 1.936 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -4.046 13.143 4.345 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -4.671 11.843 3.351 1.00 0.29 H new ATOM 527 N GLU A 34 -1.187 11.974 6.536 1.00 0.25 N ATOM 528 CA GLU A 34 -0.428 12.212 7.757 1.00 0.30 C ATOM 529 C GLU A 34 -0.780 11.166 8.796 1.00 0.28 C ATOM 530 O GLU A 34 -0.062 10.967 9.773 1.00 0.32 O ATOM 531 CB GLU A 34 -0.762 13.594 8.305 1.00 0.37 C ATOM 532 CG GLU A 34 -0.750 14.668 7.244 1.00 1.01 C ATOM 533 CD GLU A 34 0.634 14.941 6.704 1.00 1.68 C ATOM 534 OE1 GLU A 34 1.429 15.590 7.405 1.00 2.14 O ATOM 535 OE2 GLU A 34 0.934 14.489 5.579 1.00 2.13 O ATOM 0 H GLU A 34 -1.938 12.647 6.382 1.00 0.25 H new ATOM 0 HA GLU A 34 0.637 12.153 7.530 1.00 0.30 H new ATOM 0 HB2 GLU A 34 -1.746 13.565 8.774 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.045 13.853 9.084 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -1.403 14.369 6.424 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -1.161 15.588 7.660 1.00 1.01 H new ATOM 542 N GLU A 35 -1.903 10.505 8.572 1.00 0.26 N ATOM 543 CA GLU A 35 -2.369 9.478 9.470 1.00 0.29 C ATOM 544 C GLU A 35 -1.603 8.197 9.236 1.00 0.29 C ATOM 545 O GLU A 35 -1.237 7.512 10.182 1.00 0.43 O ATOM 546 CB GLU A 35 -3.872 9.244 9.295 1.00 0.34 C ATOM 547 CG GLU A 35 -4.724 10.060 10.248 1.00 0.61 C ATOM 548 CD GLU A 35 -4.467 9.704 11.700 1.00 1.23 C ATOM 549 OE1 GLU A 35 -3.460 10.180 12.263 1.00 1.71 O ATOM 550 OE2 GLU A 35 -5.265 8.939 12.280 1.00 1.81 O ATOM 0 H GLU A 35 -2.509 10.668 7.768 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.195 9.809 10.494 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.153 9.486 8.270 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -4.087 8.186 9.443 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -4.522 11.120 10.095 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -5.777 9.900 10.018 1.00 0.61 H new ATOM 557 N LEU A 36 -1.315 7.898 7.978 1.00 0.27 N ATOM 558 CA LEU A 36 -0.628 6.658 7.661 1.00 0.29 C ATOM 559 C LEU A 36 0.873 6.818 7.793 1.00 0.32 C ATOM 560 O LEU A 36 1.546 5.949 8.345 1.00 0.46 O ATOM 561 CB LEU A 36 -0.948 6.146 6.260 1.00 0.29 C ATOM 562 CG LEU A 36 -2.294 5.457 6.118 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.389 6.475 5.892 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.258 4.443 4.986 1.00 0.29 C ATOM 0 H LEU A 36 -1.541 8.485 7.175 1.00 0.27 H new ATOM 0 HA LEU A 36 -0.990 5.925 8.382 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.912 6.986 5.566 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.167 5.449 5.957 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.509 4.925 7.045 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.346 5.964 5.792 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.430 7.160 6.739 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -3.181 7.037 4.981 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.231 3.960 4.900 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -2.020 4.950 4.051 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.497 3.691 5.195 1.00 0.29 H new ATOM 576 N LEU A 37 1.390 7.928 7.272 1.00 0.41 N ATOM 577 CA LEU A 37 2.822 8.136 7.227 1.00 0.48 C ATOM 578 C LEU A 37 3.411 8.217 8.640 1.00 0.60 C ATOM 579 O LEU A 37 3.351 9.236 9.329 1.00 1.27 O ATOM 580 CB LEU A 37 3.193 9.331 6.315 1.00 0.76 C ATOM 581 CG LEU A 37 2.812 10.755 6.746 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.931 11.389 7.556 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.528 11.604 5.519 1.00 0.94 C ATOM 0 H LEU A 37 0.837 8.689 6.879 1.00 0.41 H new ATOM 0 HA LEU A 37 3.288 7.267 6.763 1.00 0.48 H new ATOM 0 HB2 LEU A 37 4.273 9.310 6.172 1.00 0.76 H new ATOM 0 HB3 LEU A 37 2.739 9.152 5.340 1.00 0.76 H new ATOM 0 HG LEU A 37 1.919 10.700 7.368 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.640 12.397 7.851 1.00 0.77 H new ATOM 0 HD12 LEU A 37 4.119 10.790 8.447 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.837 11.435 6.951 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.258 12.613 5.829 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.417 11.643 4.890 1.00 0.94 H new ATOM 0 HD23 LEU A 37 1.704 11.165 4.956 1.00 0.94 H new ATOM 595 N GLY A 38 3.895 7.070 9.086 1.00 0.31 N ATOM 596 CA GLY A 38 4.533 6.957 10.375 1.00 0.44 C ATOM 597 C GLY A 38 3.896 5.897 11.252 1.00 0.42 C ATOM 598 O GLY A 38 4.028 5.938 12.477 1.00 0.54 O ATOM 0 H GLY A 38 3.854 6.196 8.562 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.588 6.721 10.234 1.00 0.44 H new ATOM 0 HA3 GLY A 38 4.487 7.920 10.884 1.00 0.44 H new ATOM 602 N ARG A 39 3.207 4.941 10.637 1.00 0.34 N ATOM 603 CA ARG A 39 2.626 3.831 11.377 1.00 0.37 C ATOM 604 C ARG A 39 2.697 2.574 10.530 1.00 0.35 C ATOM 605 O ARG A 39 2.854 2.665 9.315 1.00 0.48 O ATOM 606 CB ARG A 39 1.171 4.123 11.727 1.00 0.48 C ATOM 607 CG ARG A 39 0.267 4.126 10.511 1.00 0.48 C ATOM 608 CD ARG A 39 -1.202 4.162 10.907 1.00 0.69 C ATOM 609 NE ARG A 39 -1.548 5.393 11.612 1.00 1.38 N ATOM 610 CZ ARG A 39 -2.103 5.452 12.821 1.00 1.72 C ATOM 611 NH1 ARG A 39 -2.386 4.342 13.492 1.00 1.80 N ATOM 612 NH2 ARG A 39 -2.392 6.634 13.353 1.00 2.61 N ATOM 0 H ARG A 39 3.039 4.914 9.631 1.00 0.34 H new ATOM 0 HA ARG A 39 3.187 3.692 12.301 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.815 3.377 12.437 1.00 0.48 H new ATOM 0 HB3 ARG A 39 1.108 5.091 12.224 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.498 4.989 9.887 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.461 3.238 9.910 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.821 4.069 10.014 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.428 3.305 11.542 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.349 6.276 11.142 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -2.178 3.431 13.082 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -2.811 4.400 14.417 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -2.189 7.489 12.836 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -2.817 6.686 14.279 1.00 2.61 H new ATOM 626 N SER A 40 2.564 1.410 11.156 1.00 0.37 N ATOM 627 CA SER A 40 2.662 0.143 10.447 1.00 0.43 C ATOM 628 C SER A 40 1.337 -0.246 9.808 1.00 0.39 C ATOM 629 O SER A 40 0.331 -0.462 10.492 1.00 0.43 O ATOM 630 CB SER A 40 3.148 -0.961 11.384 1.00 0.57 C ATOM 631 OG SER A 40 4.452 -0.671 11.863 1.00 1.23 O ATOM 0 H SER A 40 2.387 1.319 12.157 1.00 0.37 H new ATOM 0 HA SER A 40 3.391 0.270 9.647 1.00 0.43 H new ATOM 0 HB2 SER A 40 2.460 -1.062 12.224 1.00 0.57 H new ATOM 0 HB3 SER A 40 3.152 -1.916 10.859 1.00 0.57 H new ATOM 0 HG SER A 40 5.116 -0.991 11.218 1.00 1.23 H new ATOM 637 N ALA A 41 1.362 -0.306 8.482 1.00 0.35 N ATOM 638 CA ALA A 41 0.223 -0.740 7.684 1.00 0.34 C ATOM 639 C ALA A 41 -0.364 -2.057 8.179 1.00 0.33 C ATOM 640 O ALA A 41 -1.544 -2.304 8.006 1.00 0.33 O ATOM 641 CB ALA A 41 0.627 -0.883 6.225 1.00 0.35 C ATOM 0 H ALA A 41 2.179 -0.053 7.927 1.00 0.35 H new ATOM 0 HA ALA A 41 -0.546 0.026 7.785 1.00 0.34 H new ATOM 0 HB1 ALA A 41 -0.233 -1.208 5.639 1.00 0.35 H new ATOM 0 HB2 ALA A 41 0.980 0.077 5.849 1.00 0.35 H new ATOM 0 HB3 ALA A 41 1.424 -1.621 6.139 1.00 0.35 H new ATOM 647 N TYR A 42 0.468 -2.893 8.790 1.00 0.37 N ATOM 648 CA TYR A 42 0.066 -4.235 9.231 1.00 0.42 C ATOM 649 C TYR A 42 -1.278 -4.272 9.984 1.00 0.47 C ATOM 650 O TYR A 42 -1.973 -5.291 9.948 1.00 0.55 O ATOM 651 CB TYR A 42 1.177 -4.850 10.082 1.00 0.47 C ATOM 652 CG TYR A 42 2.451 -5.073 9.300 1.00 0.54 C ATOM 653 CD1 TYR A 42 3.421 -4.084 9.229 1.00 0.67 C ATOM 654 CD2 TYR A 42 2.691 -6.277 8.650 1.00 0.72 C ATOM 655 CE1 TYR A 42 4.595 -4.285 8.530 1.00 0.84 C ATOM 656 CE2 TYR A 42 3.861 -6.486 7.947 1.00 0.90 C ATOM 657 CZ TYR A 42 4.777 -5.481 7.834 1.00 0.91 C ATOM 658 OH TYR A 42 5.983 -5.693 7.194 1.00 1.14 O ATOM 0 H TYR A 42 1.441 -2.665 8.996 1.00 0.37 H new ATOM 0 HA TYR A 42 -0.090 -4.826 8.328 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.385 -4.197 10.929 1.00 0.47 H new ATOM 0 HB3 TYR A 42 0.834 -5.801 10.489 1.00 0.47 H new ATOM 0 HD1 TYR A 42 3.255 -3.141 9.729 1.00 0.67 H new ATOM 0 HD2 TYR A 42 1.951 -7.062 8.695 1.00 0.72 H new ATOM 0 HE1 TYR A 42 5.363 -3.526 8.522 1.00 0.84 H new ATOM 0 HE2 TYR A 42 4.051 -7.444 7.487 1.00 0.90 H new ATOM 0 HH TYR A 42 6.427 -4.833 7.040 1.00 1.14 H new ATOM 668 N GLU A 43 -1.651 -3.180 10.651 1.00 0.48 N ATOM 669 CA GLU A 43 -2.939 -3.098 11.352 1.00 0.56 C ATOM 670 C GLU A 43 -4.119 -2.928 10.377 1.00 0.57 C ATOM 671 O GLU A 43 -5.281 -3.066 10.758 1.00 1.01 O ATOM 672 CB GLU A 43 -2.902 -1.921 12.327 1.00 0.65 C ATOM 673 CG GLU A 43 -1.831 -2.053 13.395 1.00 0.95 C ATOM 674 CD GLU A 43 -2.147 -3.135 14.406 1.00 1.72 C ATOM 675 OE1 GLU A 43 -3.050 -2.933 15.235 1.00 1.89 O ATOM 676 OE2 GLU A 43 -1.495 -4.198 14.371 1.00 2.57 O ATOM 0 H GLU A 43 -1.081 -2.337 10.723 1.00 0.48 H new ATOM 0 HA GLU A 43 -3.092 -4.034 11.889 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -2.734 -1.001 11.767 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -3.875 -1.828 12.809 1.00 0.65 H new ATOM 0 HG2 GLU A 43 -0.875 -2.273 12.920 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -1.719 -1.100 13.912 1.00 0.95 H new ATOM 683 N PHE A 44 -3.798 -2.652 9.123 1.00 0.40 N ATOM 684 CA PHE A 44 -4.774 -2.336 8.087 1.00 0.38 C ATOM 685 C PHE A 44 -4.163 -2.646 6.723 1.00 0.30 C ATOM 686 O PHE A 44 -4.465 -2.014 5.709 1.00 0.40 O ATOM 687 CB PHE A 44 -5.179 -0.856 8.174 1.00 0.48 C ATOM 688 CG PHE A 44 -4.024 0.115 8.140 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.369 0.478 9.307 1.00 0.50 C ATOM 690 CD2 PHE A 44 -3.593 0.659 6.941 1.00 0.62 C ATOM 691 CE1 PHE A 44 -2.311 1.363 9.278 1.00 0.56 C ATOM 692 CE2 PHE A 44 -2.534 1.543 6.905 1.00 0.77 C ATOM 693 CZ PHE A 44 -1.905 1.913 8.081 1.00 0.70 C ATOM 0 H PHE A 44 -2.834 -2.641 8.788 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.670 -2.940 8.228 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -5.852 -0.628 7.348 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.740 -0.700 9.095 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -3.691 0.063 10.251 1.00 0.50 H new ATOM 0 HD2 PHE A 44 -4.092 0.388 6.023 1.00 0.62 H new ATOM 0 HE1 PHE A 44 -1.801 1.625 10.193 1.00 0.56 H new ATOM 0 HE2 PHE A 44 -2.197 1.945 5.961 1.00 0.77 H new ATOM 0 HZ PHE A 44 -1.098 2.631 8.061 1.00 0.70 H new ATOM 703 N TYR A 45 -3.364 -3.701 6.711 1.00 0.29 N ATOM 704 CA TYR A 45 -2.578 -4.071 5.563 1.00 0.28 C ATOM 705 C TYR A 45 -3.142 -5.340 4.964 1.00 0.30 C ATOM 706 O TYR A 45 -2.410 -6.297 4.716 1.00 0.37 O ATOM 707 CB TYR A 45 -1.123 -4.304 5.953 1.00 0.34 C ATOM 708 CG TYR A 45 -0.165 -4.043 4.823 1.00 0.42 C ATOM 709 CD1 TYR A 45 -0.492 -3.134 3.833 1.00 0.47 C ATOM 710 CD2 TYR A 45 1.056 -4.695 4.741 1.00 0.55 C ATOM 711 CE1 TYR A 45 0.361 -2.875 2.793 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.924 -4.442 3.698 1.00 0.68 C ATOM 713 CZ TYR A 45 1.572 -3.528 2.724 1.00 0.68 C ATOM 714 OH TYR A 45 2.429 -3.267 1.679 1.00 0.85 O ATOM 0 H TYR A 45 -3.247 -4.325 7.509 1.00 0.29 H new ATOM 0 HA TYR A 45 -2.617 -3.259 4.837 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.870 -3.658 6.794 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -1.004 -5.333 6.294 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -1.439 -2.618 3.881 1.00 0.47 H new ATOM 0 HD2 TYR A 45 1.331 -5.410 5.503 1.00 0.55 H new ATOM 0 HE1 TYR A 45 0.085 -2.162 2.030 1.00 0.61 H new ATOM 0 HE2 TYR A 45 2.873 -4.956 3.644 1.00 0.68 H new ATOM 0 HH TYR A 45 3.324 -3.599 1.899 1.00 0.85 H new ATOM 724 N HIS A 46 -4.452 -5.318 4.727 1.00 0.28 N ATOM 725 CA HIS A 46 -5.173 -6.433 4.098 1.00 0.31 C ATOM 726 C HIS A 46 -5.320 -7.583 5.090 1.00 0.37 C ATOM 727 O HIS A 46 -4.329 -8.162 5.508 1.00 0.57 O ATOM 728 CB HIS A 46 -4.456 -6.913 2.821 1.00 0.37 C ATOM 729 CG HIS A 46 -3.772 -5.810 2.073 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.423 -5.822 1.804 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.232 -4.625 1.619 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.084 -4.689 1.225 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.160 -3.946 1.101 1.00 0.43 N ATOM 0 H HIS A 46 -5.049 -4.526 4.965 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.163 -6.080 3.810 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -3.720 -7.671 3.089 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.182 -7.392 2.164 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.254 -4.277 1.657 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.089 -4.417 0.906 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.193 -3.015 0.686 1.00 0.43 H new ATOM 742 N ALA A 47 -6.545 -7.920 5.473 1.00 0.39 N ATOM 743 CA ALA A 47 -6.744 -8.917 6.525 1.00 0.44 C ATOM 744 C ALA A 47 -6.257 -10.307 6.105 1.00 0.44 C ATOM 745 O ALA A 47 -5.323 -10.844 6.698 1.00 0.48 O ATOM 746 CB ALA A 47 -8.211 -8.973 6.927 1.00 0.57 C ATOM 0 H ALA A 47 -7.402 -7.529 5.082 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.145 -8.608 7.382 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.345 -9.719 7.710 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -8.524 -7.997 7.298 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -8.815 -9.243 6.061 1.00 0.57 H new ATOM 752 N LEU A 48 -6.876 -10.886 5.082 1.00 0.48 N ATOM 753 CA LEU A 48 -6.453 -12.195 4.586 1.00 0.53 C ATOM 754 C LEU A 48 -5.317 -12.069 3.578 1.00 0.48 C ATOM 755 O LEU A 48 -4.616 -13.042 3.294 1.00 0.52 O ATOM 756 CB LEU A 48 -7.638 -12.952 3.970 1.00 0.67 C ATOM 757 CG LEU A 48 -8.127 -12.447 2.608 1.00 0.76 C ATOM 758 CD1 LEU A 48 -7.464 -13.220 1.475 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.640 -12.565 2.516 1.00 0.99 C ATOM 0 H LEU A 48 -7.665 -10.476 4.582 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.081 -12.765 5.437 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.359 -14.001 3.867 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.472 -12.912 4.670 1.00 0.67 H new ATOM 0 HG LEU A 48 -7.850 -11.397 2.511 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -7.826 -12.845 0.518 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -6.383 -13.091 1.530 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -7.708 -14.279 1.565 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -9.975 -12.203 1.544 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -9.931 -13.609 2.635 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -10.100 -11.968 3.303 1.00 0.99 H new ATOM 771 N ASP A 49 -5.124 -10.870 3.052 1.00 0.45 N ATOM 772 CA ASP A 49 -4.179 -10.669 1.958 1.00 0.45 C ATOM 773 C ASP A 49 -2.822 -10.223 2.493 1.00 0.41 C ATOM 774 O ASP A 49 -1.850 -10.129 1.739 1.00 0.49 O ATOM 775 CB ASP A 49 -4.700 -9.614 0.974 1.00 0.55 C ATOM 776 CG ASP A 49 -6.013 -9.985 0.319 1.00 0.91 C ATOM 777 OD1 ASP A 49 -6.002 -10.744 -0.669 1.00 1.07 O ATOM 778 OD2 ASP A 49 -7.061 -9.485 0.783 1.00 1.64 O ATOM 0 H ASP A 49 -5.604 -10.024 3.360 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.069 -11.621 1.439 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -4.822 -8.668 1.501 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -3.951 -9.452 0.199 1.00 0.55 H new ATOM 783 N SER A 50 -2.764 -9.923 3.790 1.00 0.36 N ATOM 784 CA SER A 50 -1.520 -9.514 4.446 1.00 0.35 C ATOM 785 C SER A 50 -0.392 -10.507 4.178 1.00 0.35 C ATOM 786 O SER A 50 0.700 -10.108 3.790 1.00 0.41 O ATOM 787 CB SER A 50 -1.730 -9.374 5.958 1.00 0.37 C ATOM 788 OG SER A 50 -0.603 -8.789 6.586 1.00 1.25 O ATOM 0 H SER A 50 -3.571 -9.956 4.413 1.00 0.36 H new ATOM 0 HA SER A 50 -1.235 -8.548 4.028 1.00 0.35 H new ATOM 0 HB2 SER A 50 -2.612 -8.763 6.149 1.00 0.37 H new ATOM 0 HB3 SER A 50 -1.922 -10.355 6.392 1.00 0.37 H new ATOM 0 HG SER A 50 -0.768 -8.712 7.549 1.00 1.25 H new ATOM 794 N GLU A 51 -0.670 -11.791 4.385 1.00 0.38 N ATOM 795 CA GLU A 51 0.324 -12.847 4.190 1.00 0.45 C ATOM 796 C GLU A 51 0.939 -12.757 2.795 1.00 0.43 C ATOM 797 O GLU A 51 2.158 -12.783 2.636 1.00 0.47 O ATOM 798 CB GLU A 51 -0.337 -14.214 4.379 1.00 0.55 C ATOM 799 CG GLU A 51 0.564 -15.268 5.007 1.00 1.32 C ATOM 800 CD GLU A 51 1.811 -15.549 4.199 1.00 1.99 C ATOM 801 OE1 GLU A 51 1.714 -16.269 3.190 1.00 2.49 O ATOM 802 OE2 GLU A 51 2.892 -15.038 4.566 1.00 2.68 O ATOM 0 H GLU A 51 -1.583 -12.129 4.690 1.00 0.38 H new ATOM 0 HA GLU A 51 1.118 -12.721 4.926 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -1.223 -14.092 5.003 1.00 0.55 H new ATOM 0 HB3 GLU A 51 -0.678 -14.576 3.409 1.00 0.55 H new ATOM 0 HG2 GLU A 51 0.853 -14.940 6.006 1.00 1.32 H new ATOM 0 HG3 GLU A 51 0.000 -16.193 5.126 1.00 1.32 H new ATOM 809 N ASN A 52 0.085 -12.615 1.792 1.00 0.43 N ATOM 810 CA ASN A 52 0.540 -12.556 0.408 1.00 0.48 C ATOM 811 C ASN A 52 1.374 -11.307 0.161 1.00 0.41 C ATOM 812 O ASN A 52 2.318 -11.333 -0.625 1.00 0.44 O ATOM 813 CB ASN A 52 -0.647 -12.609 -0.557 1.00 0.56 C ATOM 814 CG ASN A 52 -1.135 -14.028 -0.808 1.00 1.11 C ATOM 815 OD1 ASN A 52 -0.932 -14.915 0.155 1.00 1.96 O flip ATOM 816 ND2 ASN A 52 -1.679 -14.327 -1.871 1.00 1.31 N flip ATOM 0 H ASN A 52 -0.925 -12.538 1.909 1.00 0.43 H new ATOM 0 HA ASN A 52 1.170 -13.427 0.225 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -1.466 -12.013 -0.153 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -0.360 -12.155 -1.505 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -1.819 -13.617 -2.590 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -1.990 -15.285 -2.033 1.00 1.31 H new ATOM 823 N MET A 53 1.046 -10.220 0.849 1.00 0.35 N ATOM 824 CA MET A 53 1.816 -8.991 0.728 1.00 0.35 C ATOM 825 C MET A 53 3.080 -9.059 1.581 1.00 0.34 C ATOM 826 O MET A 53 4.064 -8.383 1.298 1.00 0.35 O ATOM 827 CB MET A 53 0.974 -7.782 1.125 1.00 0.42 C ATOM 828 CG MET A 53 -0.246 -7.576 0.241 1.00 0.96 C ATOM 829 SD MET A 53 0.168 -7.345 -1.501 1.00 1.28 S ATOM 830 CE MET A 53 1.184 -5.870 -1.431 1.00 0.79 C ATOM 0 H MET A 53 0.257 -10.165 1.493 1.00 0.35 H new ATOM 0 HA MET A 53 2.109 -8.879 -0.316 1.00 0.35 H new ATOM 0 HB2 MET A 53 0.648 -7.900 2.159 1.00 0.42 H new ATOM 0 HB3 MET A 53 1.596 -6.888 1.087 1.00 0.42 H new ATOM 0 HG2 MET A 53 -0.907 -8.437 0.339 1.00 0.96 H new ATOM 0 HG3 MET A 53 -0.800 -6.706 0.594 1.00 0.96 H new ATOM 0 HE1 MET A 53 0.959 -5.232 -2.286 1.00 0.79 H new ATOM 0 HE2 MET A 53 0.975 -5.328 -0.509 1.00 0.79 H new ATOM 0 HE3 MET A 53 2.237 -6.152 -1.456 1.00 0.79 H new ATOM 840 N THR A 54 3.049 -9.878 2.624 1.00 0.37 N ATOM 841 CA THR A 54 4.240 -10.146 3.417 1.00 0.45 C ATOM 842 C THR A 54 5.245 -10.906 2.560 1.00 0.45 C ATOM 843 O THR A 54 6.429 -10.570 2.511 1.00 0.48 O ATOM 844 CB THR A 54 3.904 -10.963 4.684 1.00 0.55 C ATOM 845 OG1 THR A 54 2.878 -10.304 5.439 1.00 0.57 O ATOM 846 CG2 THR A 54 5.135 -11.147 5.559 1.00 0.72 C ATOM 0 H THR A 54 2.212 -10.368 2.940 1.00 0.37 H new ATOM 0 HA THR A 54 4.664 -9.195 3.740 1.00 0.45 H new ATOM 0 HB THR A 54 3.552 -11.944 4.366 1.00 0.55 H new ATOM 0 HG1 THR A 54 2.050 -10.280 4.915 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.869 -11.726 6.444 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.905 -11.676 4.997 1.00 0.72 H new ATOM 0 HG23 THR A 54 5.514 -10.171 5.864 1.00 0.72 H new ATOM 854 N LYS A 55 4.752 -11.925 1.865 1.00 0.46 N ATOM 855 CA LYS A 55 5.545 -12.629 0.870 1.00 0.52 C ATOM 856 C LYS A 55 5.957 -11.687 -0.254 1.00 0.41 C ATOM 857 O LYS A 55 7.055 -11.797 -0.793 1.00 0.42 O ATOM 858 CB LYS A 55 4.763 -13.820 0.316 1.00 0.67 C ATOM 859 CG LYS A 55 4.438 -14.851 1.381 1.00 0.95 C ATOM 860 CD LYS A 55 5.707 -15.368 2.032 1.00 1.14 C ATOM 861 CE LYS A 55 5.426 -16.127 3.323 1.00 1.37 C ATOM 862 NZ LYS A 55 4.392 -17.180 3.147 1.00 1.49 N ATOM 0 H LYS A 55 3.803 -12.281 1.975 1.00 0.46 H new ATOM 0 HA LYS A 55 6.451 -13.001 1.349 1.00 0.52 H new ATOM 0 HB2 LYS A 55 3.836 -13.464 -0.134 1.00 0.67 H new ATOM 0 HB3 LYS A 55 5.342 -14.293 -0.477 1.00 0.67 H new ATOM 0 HG2 LYS A 55 3.790 -14.408 2.137 1.00 0.95 H new ATOM 0 HG3 LYS A 55 3.888 -15.680 0.936 1.00 0.95 H new ATOM 0 HD2 LYS A 55 6.230 -16.023 1.335 1.00 1.14 H new ATOM 0 HD3 LYS A 55 6.372 -14.530 2.243 1.00 1.14 H new ATOM 0 HE2 LYS A 55 6.349 -16.584 3.681 1.00 1.37 H new ATOM 0 HE3 LYS A 55 5.099 -15.425 4.090 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 4.260 -17.690 4.043 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 3.493 -16.740 2.864 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 4.698 -17.847 2.410 1.00 1.49 H new ATOM 876 N SER A 56 5.082 -10.750 -0.594 1.00 0.36 N ATOM 877 CA SER A 56 5.397 -9.735 -1.589 1.00 0.34 C ATOM 878 C SER A 56 6.527 -8.835 -1.086 1.00 0.28 C ATOM 879 O SER A 56 7.353 -8.378 -1.863 1.00 0.28 O ATOM 880 CB SER A 56 4.152 -8.904 -1.926 1.00 0.39 C ATOM 881 OG SER A 56 4.393 -8.027 -3.010 1.00 1.26 O ATOM 0 H SER A 56 4.147 -10.672 -0.194 1.00 0.36 H new ATOM 0 HA SER A 56 5.729 -10.232 -2.500 1.00 0.34 H new ATOM 0 HB2 SER A 56 3.324 -9.569 -2.172 1.00 0.39 H new ATOM 0 HB3 SER A 56 3.849 -8.329 -1.051 1.00 0.39 H new ATOM 0 HG SER A 56 3.581 -7.513 -3.202 1.00 1.26 H new ATOM 887 N HIS A 57 6.572 -8.606 0.222 1.00 0.29 N ATOM 888 CA HIS A 57 7.651 -7.834 0.839 1.00 0.30 C ATOM 889 C HIS A 57 8.981 -8.571 0.671 1.00 0.31 C ATOM 890 O HIS A 57 10.021 -7.954 0.461 1.00 0.34 O ATOM 891 CB HIS A 57 7.332 -7.599 2.324 1.00 0.35 C ATOM 892 CG HIS A 57 8.327 -6.749 3.071 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.666 -6.983 4.387 1.00 0.53 N ATOM 894 CD2 HIS A 57 9.013 -5.638 2.706 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.506 -6.053 4.798 1.00 0.51 C ATOM 896 NE2 HIS A 57 9.736 -5.225 3.800 1.00 0.39 N ATOM 0 H HIS A 57 5.871 -8.945 0.881 1.00 0.29 H new ATOM 0 HA HIS A 57 7.737 -6.865 0.347 1.00 0.30 H new ATOM 0 HB2 HIS A 57 6.351 -7.130 2.398 1.00 0.35 H new ATOM 0 HB3 HIS A 57 7.261 -8.567 2.821 1.00 0.35 H new ATOM 0 HD2 HIS A 57 8.995 -5.165 1.735 1.00 0.34 H new ATOM 0 HE1 HIS A 57 9.934 -5.982 5.787 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.350 -4.411 3.833 1.00 0.39 H new ATOM 905 N GLN A 58 8.922 -9.898 0.741 1.00 0.32 N ATOM 906 CA GLN A 58 10.103 -10.738 0.552 1.00 0.37 C ATOM 907 C GLN A 58 10.479 -10.794 -0.926 1.00 0.33 C ATOM 908 O GLN A 58 11.649 -10.926 -1.287 1.00 0.37 O ATOM 909 CB GLN A 58 9.833 -12.158 1.061 1.00 0.46 C ATOM 910 CG GLN A 58 9.329 -12.227 2.496 1.00 1.24 C ATOM 911 CD GLN A 58 10.250 -11.529 3.473 1.00 1.77 C ATOM 912 OE1 GLN A 58 11.182 -12.129 4.007 1.00 2.36 O ATOM 913 NE2 GLN A 58 9.984 -10.261 3.729 1.00 2.26 N ATOM 0 H GLN A 58 8.065 -10.418 0.928 1.00 0.32 H new ATOM 0 HA GLN A 58 10.927 -10.304 1.118 1.00 0.37 H new ATOM 0 HB2 GLN A 58 9.100 -12.631 0.408 1.00 0.46 H new ATOM 0 HB3 GLN A 58 10.752 -12.740 0.983 1.00 0.46 H new ATOM 0 HG2 GLN A 58 8.338 -11.775 2.551 1.00 1.24 H new ATOM 0 HG3 GLN A 58 9.220 -13.271 2.789 1.00 1.24 H new ATOM 0 HE21 GLN A 58 9.201 -9.800 3.265 1.00 2.26 H new ATOM 0 HE22 GLN A 58 10.561 -9.742 4.391 1.00 2.26 H new ATOM 922 N ASN A 59 9.469 -10.656 -1.767 1.00 0.28 N ATOM 923 CA ASN A 59 9.631 -10.786 -3.206 1.00 0.28 C ATOM 924 C ASN A 59 10.128 -9.474 -3.794 1.00 0.29 C ATOM 925 O ASN A 59 11.099 -9.436 -4.547 1.00 0.34 O ATOM 926 CB ASN A 59 8.293 -11.173 -3.839 1.00 0.30 C ATOM 927 CG ASN A 59 8.411 -11.534 -5.307 1.00 0.38 C ATOM 928 OD1 ASN A 59 9.429 -12.064 -5.754 1.00 0.64 O ATOM 929 ND2 ASN A 59 7.367 -11.249 -6.067 1.00 0.83 N ATOM 0 H ASN A 59 8.514 -10.451 -1.473 1.00 0.28 H new ATOM 0 HA ASN A 59 10.365 -11.564 -3.417 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.872 -12.019 -3.296 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.593 -10.344 -3.730 1.00 0.30 H new ATOM 0 HD21 ASN A 59 7.386 -11.469 -7.063 1.00 0.83 H new ATOM 0 HD22 ASN A 59 6.543 -10.810 -5.657 1.00 0.83 H new ATOM 936 N LEU A 60 9.457 -8.399 -3.410 1.00 0.27 N ATOM 937 CA LEU A 60 9.766 -7.059 -3.880 1.00 0.28 C ATOM 938 C LEU A 60 11.200 -6.669 -3.537 1.00 0.34 C ATOM 939 O LEU A 60 11.855 -5.956 -4.296 1.00 0.43 O ATOM 940 CB LEU A 60 8.767 -6.074 -3.263 1.00 0.25 C ATOM 941 CG LEU A 60 9.007 -4.595 -3.558 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.103 -4.346 -5.050 1.00 0.29 C ATOM 943 CD2 LEU A 60 7.897 -3.750 -2.954 1.00 0.33 C ATOM 0 H LEU A 60 8.675 -8.434 -2.756 1.00 0.27 H new ATOM 0 HA LEU A 60 9.679 -7.032 -4.966 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.768 -6.335 -3.613 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.773 -6.213 -2.182 1.00 0.25 H new ATOM 0 HG LEU A 60 9.956 -4.309 -3.104 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.274 -3.285 -5.232 1.00 0.29 H new ATOM 0 HD12 LEU A 60 9.931 -4.923 -5.463 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.173 -4.651 -5.530 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.081 -2.698 -3.172 1.00 0.33 H new ATOM 0 HD22 LEU A 60 6.940 -4.047 -3.382 1.00 0.33 H new ATOM 0 HD23 LEU A 60 7.873 -3.898 -1.874 1.00 0.33 H new ATOM 955 N CYS A 61 11.688 -7.147 -2.402 1.00 0.36 N ATOM 956 CA CYS A 61 13.063 -6.881 -2.004 1.00 0.48 C ATOM 957 C CYS A 61 14.031 -7.552 -2.976 1.00 0.58 C ATOM 958 O CYS A 61 14.910 -6.903 -3.540 1.00 0.92 O ATOM 959 CB CYS A 61 13.312 -7.379 -0.578 1.00 0.54 C ATOM 960 SG CYS A 61 14.940 -6.950 0.086 1.00 1.20 S ATOM 0 H CYS A 61 11.157 -7.717 -1.744 1.00 0.36 H new ATOM 0 HA CYS A 61 13.231 -5.804 -2.029 1.00 0.48 H new ATOM 0 HB2 CYS A 61 12.545 -6.967 0.078 1.00 0.54 H new ATOM 0 HB3 CYS A 61 13.199 -8.463 -0.559 1.00 0.54 H new ATOM 0 HG CYS A 61 15.051 -7.414 1.295 1.00 1.20 H new ATOM 966 N THR A 62 13.852 -8.852 -3.164 1.00 0.54 N ATOM 967 CA THR A 62 14.701 -9.631 -4.060 1.00 0.76 C ATOM 968 C THR A 62 14.604 -9.196 -5.511 1.00 0.60 C ATOM 969 O THR A 62 15.599 -9.221 -6.236 1.00 0.82 O ATOM 970 CB THR A 62 14.347 -11.128 -3.954 1.00 1.11 C ATOM 971 OG1 THR A 62 14.327 -11.523 -2.574 1.00 1.27 O ATOM 972 CG2 THR A 62 15.347 -11.993 -4.715 1.00 1.45 C ATOM 0 H THR A 62 13.121 -9.395 -2.705 1.00 0.54 H new ATOM 0 HA THR A 62 15.728 -9.454 -3.739 1.00 0.76 H new ATOM 0 HB THR A 62 13.363 -11.273 -4.399 1.00 1.11 H new ATOM 0 HG1 THR A 62 13.446 -11.330 -2.191 1.00 1.27 H new ATOM 0 HG21 THR A 62 15.067 -13.042 -4.619 1.00 1.45 H new ATOM 0 HG22 THR A 62 15.344 -11.711 -5.768 1.00 1.45 H new ATOM 0 HG23 THR A 62 16.345 -11.844 -4.302 1.00 1.45 H new ATOM 980 N LYS A 63 13.439 -8.775 -5.936 1.00 0.50 N ATOM 981 CA LYS A 63 13.240 -8.504 -7.343 1.00 0.43 C ATOM 982 C LYS A 63 13.355 -7.019 -7.687 1.00 0.39 C ATOM 983 O LYS A 63 13.457 -6.663 -8.861 1.00 0.39 O ATOM 984 CB LYS A 63 11.890 -9.036 -7.777 1.00 0.45 C ATOM 985 CG LYS A 63 11.645 -10.487 -7.392 1.00 0.54 C ATOM 986 CD LYS A 63 12.591 -11.441 -8.105 1.00 0.68 C ATOM 987 CE LYS A 63 12.394 -12.874 -7.628 1.00 0.85 C ATOM 988 NZ LYS A 63 10.970 -13.301 -7.729 1.00 1.76 N ATOM 0 H LYS A 63 12.625 -8.614 -5.342 1.00 0.50 H new ATOM 0 HA LYS A 63 14.037 -9.013 -7.885 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.108 -8.417 -7.337 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.803 -8.938 -8.859 1.00 0.45 H new ATOM 0 HG2 LYS A 63 11.763 -10.600 -6.314 1.00 0.54 H new ATOM 0 HG3 LYS A 63 10.615 -10.755 -7.629 1.00 0.54 H new ATOM 0 HD2 LYS A 63 12.423 -11.387 -9.181 1.00 0.68 H new ATOM 0 HD3 LYS A 63 13.622 -11.135 -7.928 1.00 0.68 H new ATOM 0 HE2 LYS A 63 13.017 -13.543 -8.221 1.00 0.85 H new ATOM 0 HE3 LYS A 63 12.727 -12.962 -6.594 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 10.909 -14.334 -7.626 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 10.417 -12.845 -6.976 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 10.589 -13.023 -8.656 1.00 1.76 H new ATOM 1002 N GLY A 64 13.349 -6.153 -6.678 1.00 0.40 N ATOM 1003 CA GLY A 64 13.427 -4.718 -6.924 1.00 0.42 C ATOM 1004 C GLY A 64 12.124 -4.120 -7.415 1.00 0.37 C ATOM 1005 O GLY A 64 11.937 -2.904 -7.388 1.00 0.41 O ATOM 0 H GLY A 64 13.292 -6.416 -5.694 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.725 -4.215 -6.004 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.207 -4.525 -7.660 1.00 0.42 H new ATOM 1009 N GLN A 65 11.208 -4.978 -7.825 1.00 0.34 N ATOM 1010 CA GLN A 65 9.963 -4.550 -8.434 1.00 0.33 C ATOM 1011 C GLN A 65 8.958 -5.689 -8.362 1.00 0.34 C ATOM 1012 O GLN A 65 9.328 -6.854 -8.518 1.00 0.43 O ATOM 1013 CB GLN A 65 10.200 -4.139 -9.885 1.00 0.41 C ATOM 1014 CG GLN A 65 9.002 -3.473 -10.541 1.00 0.49 C ATOM 1015 CD GLN A 65 9.284 -3.051 -11.967 1.00 0.81 C ATOM 1016 OE1 GLN A 65 10.423 -2.749 -12.323 1.00 1.37 O ATOM 1017 NE2 GLN A 65 8.251 -3.025 -12.792 1.00 1.32 N ATOM 0 H GLN A 65 11.306 -5.990 -7.745 1.00 0.34 H new ATOM 0 HA GLN A 65 9.570 -3.687 -7.896 1.00 0.33 H new ATOM 0 HB2 GLN A 65 11.049 -3.457 -9.925 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.473 -5.022 -10.462 1.00 0.41 H new ATOM 0 HG2 GLN A 65 8.156 -4.160 -10.529 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.711 -2.600 -9.958 1.00 0.49 H new ATOM 0 HE21 GLN A 65 7.323 -3.283 -12.456 1.00 1.32 H new ATOM 0 HE22 GLN A 65 8.382 -2.747 -13.765 1.00 1.32 H new ATOM 1026 N VAL A 66 7.704 -5.358 -8.112 1.00 0.32 N ATOM 1027 CA VAL A 66 6.683 -6.369 -7.911 1.00 0.35 C ATOM 1028 C VAL A 66 5.336 -5.895 -8.448 1.00 0.33 C ATOM 1029 O VAL A 66 5.066 -4.698 -8.503 1.00 0.32 O ATOM 1030 CB VAL A 66 6.550 -6.714 -6.405 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.004 -5.540 -5.610 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.676 -7.929 -6.196 1.00 0.44 C ATOM 0 H VAL A 66 7.369 -4.397 -8.043 1.00 0.32 H new ATOM 0 HA VAL A 66 6.985 -7.262 -8.458 1.00 0.35 H new ATOM 0 HB VAL A 66 7.552 -6.939 -6.041 1.00 0.36 H new ATOM 0 HG11 VAL A 66 5.924 -5.818 -4.559 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.677 -4.688 -5.710 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.019 -5.270 -5.990 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.602 -8.145 -5.130 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.681 -7.735 -6.596 1.00 0.44 H new ATOM 0 HG23 VAL A 66 6.113 -8.785 -6.710 1.00 0.44 H new ATOM 1042 N VAL A 67 4.510 -6.829 -8.875 1.00 0.39 N ATOM 1043 CA VAL A 67 3.150 -6.538 -9.225 1.00 0.45 C ATOM 1044 C VAL A 67 2.218 -7.447 -8.442 1.00 0.49 C ATOM 1045 O VAL A 67 2.628 -8.513 -7.968 1.00 0.92 O ATOM 1046 CB VAL A 67 2.911 -6.713 -10.728 1.00 0.58 C ATOM 1047 CG1 VAL A 67 3.345 -5.475 -11.499 1.00 0.91 C ATOM 1048 CG2 VAL A 67 3.638 -7.941 -11.251 1.00 1.16 C ATOM 0 H VAL A 67 4.771 -7.809 -8.986 1.00 0.39 H new ATOM 0 HA VAL A 67 2.947 -5.497 -8.973 1.00 0.45 H new ATOM 0 HB VAL A 67 1.841 -6.853 -10.880 1.00 0.58 H new ATOM 0 HG11 VAL A 67 3.164 -5.627 -12.563 1.00 0.91 H new ATOM 0 HG12 VAL A 67 2.775 -4.613 -11.153 1.00 0.91 H new ATOM 0 HG13 VAL A 67 4.408 -5.297 -11.333 1.00 0.91 H new ATOM 0 HG21 VAL A 67 3.454 -8.045 -12.320 1.00 1.16 H new ATOM 0 HG22 VAL A 67 4.708 -7.832 -11.076 1.00 1.16 H new ATOM 0 HG23 VAL A 67 3.274 -8.828 -10.732 1.00 1.16 H new ATOM 1058 N SER A 68 0.973 -7.037 -8.316 1.00 0.52 N ATOM 1059 CA SER A 68 0.006 -7.777 -7.530 1.00 0.54 C ATOM 1060 C SER A 68 -1.395 -7.319 -7.885 1.00 0.53 C ATOM 1061 O SER A 68 -1.578 -6.228 -8.432 1.00 0.94 O ATOM 1062 CB SER A 68 0.277 -7.582 -6.034 1.00 0.58 C ATOM 1063 OG SER A 68 -0.465 -8.504 -5.250 1.00 1.39 O ATOM 0 H SER A 68 0.605 -6.191 -8.750 1.00 0.52 H new ATOM 0 HA SER A 68 0.097 -8.840 -7.756 1.00 0.54 H new ATOM 0 HB2 SER A 68 1.341 -7.707 -5.836 1.00 0.58 H new ATOM 0 HB3 SER A 68 0.017 -6.564 -5.745 1.00 0.58 H new ATOM 0 HG SER A 68 -0.271 -8.357 -4.301 1.00 1.39 H new ATOM 1069 N GLY A 69 -2.374 -8.153 -7.588 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.718 -7.865 -7.988 1.00 0.43 C ATOM 1071 C GLY A 69 -4.548 -7.300 -6.866 1.00 0.38 C ATOM 1072 O GLY A 69 -4.024 -6.914 -5.819 1.00 0.42 O ATOM 0 H GLY A 69 -2.255 -9.026 -7.075 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.703 -7.156 -8.816 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -4.186 -8.777 -8.358 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.842 -7.250 -7.113 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.817 -6.786 -6.155 1.00 0.43 C ATOM 1078 C GLN A 70 -6.664 -7.494 -4.812 1.00 0.35 C ATOM 1079 O GLN A 70 -6.747 -8.721 -4.727 1.00 0.36 O ATOM 1080 CB GLN A 70 -8.199 -7.076 -6.711 1.00 0.62 C ATOM 1081 CG GLN A 70 -8.397 -6.586 -8.124 1.00 0.78 C ATOM 1082 CD GLN A 70 -9.713 -7.035 -8.713 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -10.693 -7.242 -7.998 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -9.741 -7.193 -10.020 1.00 1.31 N ATOM 0 H GLN A 70 -6.250 -7.537 -8.003 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.670 -5.719 -5.991 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -8.376 -8.151 -6.680 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -8.945 -6.612 -6.066 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -8.349 -5.497 -8.137 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -7.581 -6.949 -8.749 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -8.904 -7.010 -10.574 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -10.599 -7.499 -10.478 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.432 -6.714 -3.776 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.418 -7.217 -2.416 1.00 0.36 C ATOM 1095 C TYR A 71 -7.446 -6.450 -1.605 1.00 0.32 C ATOM 1096 O TYR A 71 -8.035 -5.495 -2.105 1.00 0.29 O ATOM 1097 CB TYR A 71 -5.027 -7.080 -1.782 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.439 -5.678 -1.819 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -5.217 -4.582 -1.479 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.119 -5.447 -2.201 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.700 -3.303 -1.520 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.597 -4.174 -2.244 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.342 -3.125 -1.874 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.874 -1.837 -1.967 1.00 0.68 O ATOM 0 H TYR A 71 -6.248 -5.714 -3.852 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.665 -8.279 -2.427 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -5.084 -7.407 -0.744 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -4.343 -7.758 -2.293 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -6.243 -4.731 -1.177 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.492 -6.285 -2.469 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -5.322 -2.452 -1.286 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.581 -4.021 -2.578 1.00 0.62 H new ATOM 0 HH TYR A 71 -2.051 -1.826 -2.498 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.654 -6.840 -0.367 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.565 -6.110 0.495 1.00 0.33 C ATOM 1116 C ARG A 72 -7.802 -5.113 1.350 1.00 0.27 C ATOM 1117 O ARG A 72 -7.026 -5.513 2.204 1.00 0.28 O ATOM 1118 CB ARG A 72 -9.300 -7.084 1.401 1.00 0.43 C ATOM 1119 CG ARG A 72 -10.076 -8.143 0.659 1.00 0.65 C ATOM 1120 CD ARG A 72 -10.595 -9.186 1.625 1.00 1.06 C ATOM 1121 NE ARG A 72 -11.477 -10.148 0.976 1.00 1.10 N ATOM 1122 CZ ARG A 72 -12.701 -10.432 1.411 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -13.150 -9.879 2.531 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -13.468 -11.290 0.753 1.00 1.52 N ATOM 0 H ARG A 72 -7.211 -7.651 0.065 1.00 0.36 H new ATOM 0 HA ARG A 72 -9.279 -5.572 -0.129 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -8.578 -7.570 2.057 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -9.985 -6.525 2.039 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -10.909 -7.686 0.124 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -9.438 -8.615 -0.088 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -9.753 -9.713 2.074 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -11.132 -8.693 2.435 1.00 1.06 H new ATOM 0 HE ARG A 72 -11.137 -10.629 0.143 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -12.556 -9.237 3.057 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -14.089 -10.096 2.866 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -13.121 -11.739 -0.095 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -14.406 -11.502 1.094 1.00 1.52 H new ATOM 1138 N MET A 73 -8.017 -3.822 1.152 1.00 0.26 N ATOM 1139 CA MET A 73 -7.374 -2.844 2.026 1.00 0.26 C ATOM 1140 C MET A 73 -8.380 -2.303 3.029 1.00 0.23 C ATOM 1141 O MET A 73 -9.530 -2.031 2.682 1.00 0.24 O ATOM 1142 CB MET A 73 -6.750 -1.682 1.262 1.00 0.30 C ATOM 1143 CG MET A 73 -5.865 -0.812 2.151 1.00 0.35 C ATOM 1144 SD MET A 73 -4.115 -1.239 2.029 1.00 0.77 S ATOM 1145 CE MET A 73 -3.397 -0.028 3.137 1.00 0.60 C ATOM 0 H MET A 73 -8.611 -3.432 0.420 1.00 0.26 H new ATOM 0 HA MET A 73 -6.567 -3.367 2.539 1.00 0.26 H new ATOM 0 HB2 MET A 73 -6.158 -2.071 0.434 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.540 -1.069 0.829 1.00 0.30 H new ATOM 0 HG2 MET A 73 -5.999 0.234 1.876 1.00 0.35 H new ATOM 0 HG3 MET A 73 -6.188 -0.913 3.187 1.00 0.35 H new ATOM 0 HE1 MET A 73 -2.592 0.501 2.626 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.163 0.685 3.443 1.00 0.60 H new ATOM 0 HE3 MET A 73 -2.998 -0.532 4.017 1.00 0.60 H new ATOM 1155 N LEU A 74 -7.943 -2.174 4.273 1.00 0.22 N ATOM 1156 CA LEU A 74 -8.797 -1.680 5.343 1.00 0.25 C ATOM 1157 C LEU A 74 -9.024 -0.183 5.226 1.00 0.33 C ATOM 1158 O LEU A 74 -8.077 0.601 5.227 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.178 -1.992 6.700 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.083 -1.759 7.910 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -10.057 -2.908 8.052 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.263 -1.615 9.180 1.00 0.42 C ATOM 0 H LEU A 74 -6.995 -2.407 4.568 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.759 -2.184 5.254 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -7.860 -3.034 6.703 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.281 -1.384 6.818 1.00 0.24 H new ATOM 0 HG LEU A 74 -9.636 -0.833 7.753 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.699 -2.736 8.916 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.669 -2.979 7.153 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.505 -3.838 8.189 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -8.929 -1.450 10.027 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.685 -2.524 9.345 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -7.585 -0.767 9.081 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.282 0.196 5.112 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.663 1.593 5.127 1.00 0.26 C ATOM 1176 C ALA A 75 -10.848 2.072 6.552 1.00 0.31 C ATOM 1177 O ALA A 75 -10.963 1.274 7.483 1.00 0.60 O ATOM 1178 CB ALA A 75 -11.933 1.808 4.313 1.00 0.29 C ATOM 0 H ALA A 75 -11.063 -0.451 5.007 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.865 2.178 4.670 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.205 2.863 4.335 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.761 1.499 3.282 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.743 1.216 4.739 1.00 0.29 H new ATOM 1184 N LYS A 76 -10.879 3.385 6.689 1.00 0.28 N ATOM 1185 CA LYS A 76 -10.975 4.077 7.970 1.00 0.30 C ATOM 1186 C LYS A 76 -11.982 3.447 8.931 1.00 0.33 C ATOM 1187 O LYS A 76 -11.744 3.371 10.133 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.390 5.510 7.681 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.253 6.432 8.863 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.697 7.841 8.515 1.00 0.47 C ATOM 1191 CE LYS A 76 -13.193 7.895 8.222 1.00 0.53 C ATOM 1192 NZ LYS A 76 -13.636 9.259 7.839 1.00 1.23 N ATOM 0 H LYS A 76 -10.837 4.021 5.893 1.00 0.28 H new ATOM 0 HA LYS A 76 -10.004 4.014 8.462 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.785 5.895 6.860 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.427 5.517 7.344 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.850 6.054 9.693 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -10.216 6.447 9.197 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.462 8.513 9.340 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -11.141 8.196 7.647 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -13.430 7.198 7.418 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.747 7.568 9.102 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -14.658 9.251 7.649 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -13.433 9.921 8.615 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -13.127 9.562 6.984 1.00 1.23 H new ATOM 1206 N HIS A 77 -13.086 2.976 8.386 1.00 0.44 N ATOM 1207 CA HIS A 77 -14.203 2.488 9.189 1.00 0.62 C ATOM 1208 C HIS A 77 -14.245 0.961 9.214 1.00 0.69 C ATOM 1209 O HIS A 77 -15.315 0.361 9.285 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.536 3.077 8.688 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.551 3.464 7.237 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -14.976 4.513 6.605 1.00 0.74 N flip ATOM 1213 CD2 HIS A 77 -16.220 2.762 6.263 1.00 0.67 C flip ATOM 1214 CE1 HIS A 77 -15.303 4.430 5.279 1.00 0.70 C flip ATOM 1215 NE2 HIS A 77 -16.053 3.364 5.099 1.00 0.69 N flip ATOM 0 H HIS A 77 -13.239 2.918 7.379 1.00 0.44 H new ATOM 0 HA HIS A 77 -14.051 2.826 10.214 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.327 2.348 8.863 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.775 3.956 9.286 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -16.792 1.860 6.424 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -14.997 5.123 4.509 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -16.441 3.054 4.208 1.00 0.69 H new ATOM 1224 N GLY A 78 -13.065 0.347 9.154 1.00 0.58 N ATOM 1225 CA GLY A 78 -12.964 -1.108 9.159 1.00 0.72 C ATOM 1226 C GLY A 78 -13.454 -1.719 7.866 1.00 0.76 C ATOM 1227 O GLY A 78 -13.747 -2.912 7.795 1.00 1.31 O ATOM 0 H GLY A 78 -12.170 0.833 9.102 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -11.927 -1.398 9.326 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.544 -1.508 9.991 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.545 -0.881 6.850 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.044 -1.313 5.568 1.00 0.37 C ATOM 1233 C GLY A 79 -12.989 -2.027 4.766 1.00 0.28 C ATOM 1234 O GLY A 79 -11.828 -2.068 5.161 1.00 0.29 O ATOM 0 H GLY A 79 -13.278 0.103 6.893 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -14.898 -1.975 5.715 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.403 -0.449 5.008 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.385 -2.585 3.644 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.450 -3.261 2.766 1.00 0.21 C ATOM 1240 C TYR A 80 -12.729 -2.903 1.326 1.00 0.22 C ATOM 1241 O TYR A 80 -13.848 -3.042 0.843 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.505 -4.778 2.948 1.00 0.26 C ATOM 1243 CG TYR A 80 -11.930 -5.237 4.262 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.559 -5.296 4.462 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -12.764 -5.625 5.300 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.033 -5.725 5.661 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.250 -6.057 6.503 1.00 0.37 C ATOM 1248 CZ TYR A 80 -10.856 -6.062 6.684 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.361 -6.540 7.878 1.00 0.38 O ATOM 0 H TYR A 80 -14.351 -2.585 3.315 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.447 -2.926 3.031 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.541 -5.109 2.876 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -11.961 -5.256 2.133 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -9.893 -5.001 3.665 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -13.835 -5.588 5.163 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -8.962 -5.793 5.786 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -12.907 -6.386 7.294 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.104 -6.726 8.489 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.711 -2.416 0.655 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.807 -2.097 -0.750 1.00 0.28 C ATOM 1261 C VAL A 81 -10.756 -2.882 -1.511 1.00 0.26 C ATOM 1262 O VAL A 81 -9.675 -3.144 -0.983 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.642 -0.580 -1.002 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.965 0.138 -0.790 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.579 0.011 -0.084 1.00 0.30 C ATOM 0 H VAL A 81 -10.796 -2.230 1.066 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.800 -2.375 -1.103 1.00 0.28 H new ATOM 0 HB VAL A 81 -11.323 -0.442 -2.035 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.833 1.205 -0.971 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.709 -0.258 -1.481 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -13.303 -0.017 0.235 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -10.481 1.079 -0.280 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.870 -0.142 0.955 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.624 -0.481 -0.269 1.00 0.30 H new ATOM 1275 N TRP A 82 -11.086 -3.305 -2.717 1.00 0.28 N ATOM 1276 CA TRP A 82 -10.153 -4.084 -3.512 1.00 0.29 C ATOM 1277 C TRP A 82 -9.248 -3.189 -4.332 1.00 0.28 C ATOM 1278 O TRP A 82 -9.705 -2.427 -5.187 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.883 -5.068 -4.414 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.548 -6.170 -3.648 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.736 -6.104 -2.978 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -11.049 -7.496 -3.456 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -13.012 -7.315 -2.394 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -11.994 -8.184 -2.671 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -9.900 -8.174 -3.875 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -11.823 -9.514 -2.298 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.732 -9.492 -3.500 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.690 -10.149 -2.720 1.00 0.52 C ATOM 0 H TRP A 82 -11.984 -3.125 -3.165 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.533 -4.652 -2.818 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.632 -4.533 -4.997 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -10.176 -5.499 -5.122 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.365 -5.228 -2.917 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -13.842 -7.531 -1.843 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -9.158 -7.676 -4.481 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.560 -10.025 -1.696 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -8.847 -10.025 -3.814 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.530 -11.181 -2.446 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.960 -3.299 -4.065 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.973 -2.462 -4.725 1.00 0.28 C ATOM 1301 C LEU A 83 -5.869 -3.284 -5.350 1.00 0.29 C ATOM 1302 O LEU A 83 -5.492 -4.330 -4.831 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.344 -1.465 -3.745 1.00 0.28 C ATOM 1304 CG LEU A 83 -7.258 -0.390 -3.164 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.873 -0.864 -1.867 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.478 0.895 -2.947 1.00 0.40 C ATOM 0 H LEU A 83 -7.571 -3.961 -3.394 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.504 -1.921 -5.508 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.916 -2.029 -2.916 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.517 -0.968 -4.252 1.00 0.28 H new ATOM 0 HG LEU A 83 -8.063 -0.194 -3.872 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.522 -0.085 -1.466 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.458 -1.765 -2.050 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -7.083 -1.083 -1.149 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -7.139 1.656 -2.532 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.657 0.710 -2.254 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -6.077 1.242 -3.899 1.00 0.40 H new ATOM 1318 N GLU A 84 -5.360 -2.791 -6.463 1.00 0.32 N ATOM 1319 CA GLU A 84 -4.221 -3.399 -7.120 1.00 0.34 C ATOM 1320 C GLU A 84 -2.982 -2.563 -6.847 1.00 0.35 C ATOM 1321 O GLU A 84 -3.063 -1.337 -6.784 1.00 0.39 O ATOM 1322 CB GLU A 84 -4.472 -3.505 -8.619 1.00 0.41 C ATOM 1323 CG GLU A 84 -4.321 -4.915 -9.150 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.654 -5.026 -10.620 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -3.772 -4.746 -11.459 1.00 1.23 O ATOM 1326 OE2 GLU A 84 -5.798 -5.400 -10.949 1.00 0.88 O ATOM 0 H GLU A 84 -5.723 -1.962 -6.934 1.00 0.32 H new ATOM 0 HA GLU A 84 -4.070 -4.405 -6.728 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -5.478 -3.146 -8.839 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -3.778 -2.849 -9.145 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -3.297 -5.252 -8.988 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -4.970 -5.583 -8.584 1.00 0.59 H new ATOM 1333 N THR A 85 -1.844 -3.210 -6.675 1.00 0.36 N ATOM 1334 CA THR A 85 -0.628 -2.495 -6.339 1.00 0.37 C ATOM 1335 C THR A 85 0.525 -2.870 -7.237 1.00 0.32 C ATOM 1336 O THR A 85 0.933 -4.031 -7.325 1.00 0.43 O ATOM 1337 CB THR A 85 -0.232 -2.715 -4.866 1.00 0.52 C ATOM 1338 OG1 THR A 85 -1.240 -2.165 -4.013 1.00 0.68 O ATOM 1339 CG2 THR A 85 1.106 -2.066 -4.550 1.00 0.60 C ATOM 0 H THR A 85 -1.737 -4.221 -6.762 1.00 0.36 H new ATOM 0 HA THR A 85 -0.846 -1.438 -6.493 1.00 0.37 H new ATOM 0 HB THR A 85 -0.140 -3.788 -4.696 1.00 0.52 H new ATOM 0 HG1 THR A 85 -1.110 -1.197 -3.935 1.00 0.68 H new ATOM 0 HG21 THR A 85 1.356 -2.239 -3.503 1.00 0.60 H new ATOM 0 HG22 THR A 85 1.879 -2.499 -5.185 1.00 0.60 H new ATOM 0 HG23 THR A 85 1.043 -0.994 -4.735 1.00 0.60 H new ATOM 1347 N GLN A 86 1.022 -1.860 -7.914 1.00 0.29 N ATOM 1348 CA GLN A 86 2.262 -1.958 -8.632 1.00 0.35 C ATOM 1349 C GLN A 86 3.387 -1.533 -7.692 1.00 0.28 C ATOM 1350 O GLN A 86 3.482 -0.363 -7.313 1.00 0.30 O ATOM 1351 CB GLN A 86 2.220 -1.071 -9.869 1.00 0.50 C ATOM 1352 CG GLN A 86 3.507 -1.096 -10.648 1.00 0.70 C ATOM 1353 CD GLN A 86 3.648 0.083 -11.588 1.00 1.06 C ATOM 1354 OE1 GLN A 86 3.184 0.042 -12.727 1.00 1.95 O ATOM 1355 NE2 GLN A 86 4.306 1.133 -11.123 1.00 1.15 N ATOM 0 H GLN A 86 0.573 -0.947 -7.979 1.00 0.29 H new ATOM 0 HA GLN A 86 2.432 -2.982 -8.966 1.00 0.35 H new ATOM 0 HB2 GLN A 86 1.403 -1.394 -10.515 1.00 0.50 H new ATOM 0 HB3 GLN A 86 2.002 -0.046 -9.568 1.00 0.50 H new ATOM 0 HG2 GLN A 86 4.347 -1.103 -9.953 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.561 -2.021 -11.222 1.00 0.70 H new ATOM 0 HE21 GLN A 86 4.674 1.124 -10.172 1.00 1.15 H new ATOM 0 HE22 GLN A 86 4.445 1.951 -11.716 1.00 1.15 H new ATOM 1364 N GLY A 87 4.215 -2.488 -7.299 1.00 0.27 N ATOM 1365 CA GLY A 87 5.197 -2.234 -6.271 1.00 0.26 C ATOM 1366 C GLY A 87 6.604 -2.091 -6.813 1.00 0.24 C ATOM 1367 O GLY A 87 6.953 -2.659 -7.848 1.00 0.27 O ATOM 0 H GLY A 87 4.223 -3.436 -7.676 1.00 0.27 H new ATOM 0 HA2 GLY A 87 4.926 -1.324 -5.736 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.174 -3.048 -5.547 1.00 0.26 H new ATOM 1371 N THR A 88 7.403 -1.316 -6.110 1.00 0.23 N ATOM 1372 CA THR A 88 8.797 -1.085 -6.470 1.00 0.22 C ATOM 1373 C THR A 88 9.612 -0.735 -5.225 1.00 0.25 C ATOM 1374 O THR A 88 9.155 0.039 -4.384 1.00 0.36 O ATOM 1375 CB THR A 88 8.925 0.056 -7.505 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.074 -0.206 -8.631 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.362 0.204 -7.984 1.00 0.24 C ATOM 0 H THR A 88 7.107 -0.823 -5.267 1.00 0.23 H new ATOM 0 HA THR A 88 9.183 -2.002 -6.914 1.00 0.22 H new ATOM 0 HB THR A 88 8.622 0.984 -7.021 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.159 0.522 -9.282 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.422 1.014 -8.711 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.007 0.430 -7.135 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.688 -0.726 -8.449 1.00 0.24 H new ATOM 1385 N VAL A 89 10.800 -1.313 -5.092 1.00 0.28 N ATOM 1386 CA VAL A 89 11.682 -0.957 -3.991 1.00 0.31 C ATOM 1387 C VAL A 89 12.742 0.019 -4.458 1.00 0.30 C ATOM 1388 O VAL A 89 13.514 -0.263 -5.377 1.00 0.34 O ATOM 1389 CB VAL A 89 12.358 -2.186 -3.331 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.599 -1.779 -2.551 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.392 -2.884 -2.394 1.00 0.56 C ATOM 0 H VAL A 89 11.170 -2.022 -5.725 1.00 0.28 H new ATOM 0 HA VAL A 89 11.053 -0.491 -3.232 1.00 0.31 H new ATOM 0 HB VAL A 89 12.650 -2.867 -4.131 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.051 -2.662 -2.100 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.315 -1.309 -3.226 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.321 -1.073 -1.768 1.00 0.36 H new ATOM 0 HG21 VAL A 89 11.883 -3.744 -1.940 1.00 0.56 H new ATOM 0 HG22 VAL A 89 11.078 -2.191 -1.613 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.519 -3.219 -2.955 1.00 0.56 H new ATOM 1401 N ILE A 90 12.747 1.180 -3.836 1.00 0.27 N ATOM 1402 CA ILE A 90 13.761 2.166 -4.098 1.00 0.30 C ATOM 1403 C ILE A 90 14.904 1.963 -3.113 1.00 0.34 C ATOM 1404 O ILE A 90 14.735 2.078 -1.900 1.00 0.41 O ATOM 1405 CB ILE A 90 13.180 3.602 -4.039 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.171 4.611 -4.605 1.00 0.71 C ATOM 1407 CG2 ILE A 90 12.781 3.998 -2.633 1.00 0.73 C ATOM 1408 CD1 ILE A 90 13.548 5.963 -4.861 1.00 0.78 C ATOM 0 H ILE A 90 12.053 1.460 -3.142 1.00 0.27 H new ATOM 0 HA ILE A 90 14.145 2.040 -5.110 1.00 0.30 H new ATOM 0 HB ILE A 90 12.279 3.605 -4.653 1.00 0.32 H new ATOM 0 HG12 ILE A 90 15.003 4.725 -3.910 1.00 0.71 H new ATOM 0 HG13 ILE A 90 14.584 4.224 -5.536 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.379 5.011 -2.640 1.00 0.73 H new ATOM 0 HG22 ILE A 90 12.021 3.309 -2.263 1.00 0.73 H new ATOM 0 HG23 ILE A 90 13.655 3.959 -1.982 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.301 6.640 -5.264 1.00 0.78 H new ATOM 0 HD12 ILE A 90 12.734 5.858 -5.578 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.159 6.367 -3.926 1.00 0.78 H new ATOM 1420 N TYR A 91 16.041 1.542 -3.627 1.00 0.36 N ATOM 1421 CA TYR A 91 17.181 1.277 -2.777 1.00 0.42 C ATOM 1422 C TYR A 91 18.041 2.506 -2.587 1.00 0.48 C ATOM 1423 O TYR A 91 18.027 3.432 -3.395 1.00 0.58 O ATOM 1424 CB TYR A 91 18.076 0.177 -3.313 1.00 0.51 C ATOM 1425 CG TYR A 91 17.391 -1.103 -3.712 1.00 0.43 C ATOM 1426 CD1 TYR A 91 16.851 -1.245 -4.980 1.00 0.45 C ATOM 1427 CD2 TYR A 91 17.247 -2.148 -2.811 1.00 0.55 C ATOM 1428 CE1 TYR A 91 16.190 -2.398 -5.344 1.00 0.61 C ATOM 1429 CE2 TYR A 91 16.580 -3.301 -3.164 1.00 0.76 C ATOM 1430 CZ TYR A 91 16.207 -3.495 -4.462 1.00 0.79 C ATOM 1431 OH TYR A 91 15.378 -4.569 -4.779 1.00 1.06 O ATOM 0 H TYR A 91 16.199 1.377 -4.621 1.00 0.36 H new ATOM 0 HA TYR A 91 16.749 0.962 -1.827 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.612 0.563 -4.180 1.00 0.51 H new ATOM 0 HB3 TYR A 91 18.823 -0.056 -2.555 1.00 0.51 H new ATOM 0 HD1 TYR A 91 16.950 -0.440 -5.694 1.00 0.45 H new ATOM 0 HD2 TYR A 91 17.664 -2.057 -1.819 1.00 0.55 H new ATOM 0 HE1 TYR A 91 15.669 -2.459 -6.288 1.00 0.61 H new ATOM 0 HE2 TYR A 91 16.354 -4.047 -2.417 1.00 0.76 H new ATOM 0 HH TYR A 91 15.462 -5.261 -4.091 1.00 1.06 H new ATOM 1441 N ASN A 92 18.775 2.492 -1.494 1.00 0.57 N ATOM 1442 CA ASN A 92 19.750 3.528 -1.194 1.00 0.71 C ATOM 1443 C ASN A 92 20.945 3.411 -2.124 1.00 0.69 C ATOM 1444 O ASN A 92 21.423 2.328 -2.348 1.00 0.63 O ATOM 1445 CB ASN A 92 20.237 3.353 0.234 1.00 0.83 C ATOM 1446 CG ASN A 92 21.013 4.557 0.715 1.00 1.09 C ATOM 1447 OD1 ASN A 92 22.237 4.511 0.833 1.00 1.77 O ATOM 1448 ND2 ASN A 92 20.316 5.656 0.914 1.00 1.50 N ATOM 0 H ASN A 92 18.715 1.761 -0.785 1.00 0.57 H new ATOM 0 HA ASN A 92 19.279 4.502 -1.325 1.00 0.71 H new ATOM 0 HB2 ASN A 92 19.384 3.185 0.891 1.00 0.83 H new ATOM 0 HB3 ASN A 92 20.867 2.466 0.297 1.00 0.83 H new ATOM 0 HD21 ASN A 92 20.790 6.520 1.178 1.00 1.50 H new ATOM 0 HD22 ASN A 92 19.302 5.644 0.804 1.00 1.50 H new ATOM 1455 N PRO A 93 21.470 4.500 -2.667 1.00 0.84 N ATOM 1456 CA PRO A 93 22.632 4.414 -3.554 1.00 0.91 C ATOM 1457 C PRO A 93 23.925 4.055 -2.825 1.00 0.96 C ATOM 1458 O PRO A 93 24.789 3.369 -3.372 1.00 1.00 O ATOM 1459 CB PRO A 93 22.725 5.807 -4.149 1.00 1.13 C ATOM 1460 CG PRO A 93 22.053 6.703 -3.165 1.00 1.23 C ATOM 1461 CD PRO A 93 20.978 5.880 -2.510 1.00 1.00 C ATOM 0 HA PRO A 93 22.510 3.622 -4.292 1.00 0.91 H new ATOM 0 HB2 PRO A 93 23.764 6.100 -4.302 1.00 1.13 H new ATOM 0 HB3 PRO A 93 22.234 5.853 -5.121 1.00 1.13 H new ATOM 0 HG2 PRO A 93 22.764 7.072 -2.426 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.627 7.575 -3.661 1.00 1.23 H new ATOM 0 HD2 PRO A 93 20.851 6.145 -1.461 1.00 1.00 H new ATOM 0 HD3 PRO A 93 20.012 6.021 -2.994 1.00 1.00 H new ATOM 1469 N ARG A 94 24.046 4.504 -1.585 1.00 1.03 N ATOM 1470 CA ARG A 94 25.286 4.342 -0.838 1.00 1.13 C ATOM 1471 C ARG A 94 25.340 2.990 -0.137 1.00 1.04 C ATOM 1472 O ARG A 94 26.377 2.326 -0.124 1.00 1.16 O ATOM 1473 CB ARG A 94 25.437 5.468 0.186 1.00 1.37 C ATOM 1474 CG ARG A 94 25.426 6.854 -0.435 1.00 1.93 C ATOM 1475 CD ARG A 94 25.729 7.930 0.586 1.00 2.43 C ATOM 1476 NE ARG A 94 24.728 7.993 1.650 1.00 3.09 N ATOM 1477 CZ ARG A 94 24.872 8.721 2.755 1.00 3.87 C ATOM 1478 NH1 ARG A 94 25.976 9.435 2.937 1.00 4.14 N ATOM 1479 NH2 ARG A 94 23.908 8.738 3.668 1.00 4.77 N ATOM 0 H ARG A 94 23.303 4.982 -1.075 1.00 1.03 H new ATOM 0 HA ARG A 94 26.112 4.388 -1.548 1.00 1.13 H new ATOM 0 HB2 ARG A 94 24.629 5.398 0.914 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.370 5.330 0.732 1.00 1.37 H new ATOM 0 HG2 ARG A 94 26.161 6.898 -1.239 1.00 1.93 H new ATOM 0 HG3 ARG A 94 24.451 7.043 -0.884 1.00 1.93 H new ATOM 0 HD2 ARG A 94 26.709 7.744 1.025 1.00 2.43 H new ATOM 0 HD3 ARG A 94 25.783 8.897 0.085 1.00 2.43 H new ATOM 0 HE ARG A 94 23.872 7.449 1.539 1.00 3.09 H new ATOM 0 HH11 ARG A 94 26.712 9.425 2.231 1.00 4.14 H new ATOM 0 HH12 ARG A 94 26.088 9.994 3.783 1.00 4.14 H new ATOM 0 HH21 ARG A 94 23.058 8.193 3.522 1.00 4.77 H new ATOM 0 HH22 ARG A 94 24.018 9.296 4.515 1.00 4.77 H new ATOM 1493 N ASN A 95 24.217 2.588 0.438 1.00 0.99 N ATOM 1494 CA ASN A 95 24.157 1.352 1.223 1.00 1.00 C ATOM 1495 C ASN A 95 23.289 0.305 0.530 1.00 0.85 C ATOM 1496 O ASN A 95 23.410 -0.893 0.787 1.00 0.92 O ATOM 1497 CB ASN A 95 23.612 1.648 2.626 1.00 1.15 C ATOM 1498 CG ASN A 95 23.581 0.428 3.537 1.00 1.58 C ATOM 1499 OD1 ASN A 95 22.690 0.294 4.377 1.00 2.23 O ATOM 1500 ND2 ASN A 95 24.555 -0.459 3.403 1.00 1.99 N ATOM 0 H ASN A 95 23.333 3.094 0.380 1.00 0.99 H new ATOM 0 HA ASN A 95 25.167 0.951 1.309 1.00 1.00 H new ATOM 0 HB2 ASN A 95 24.225 2.422 3.089 1.00 1.15 H new ATOM 0 HB3 ASN A 95 22.603 2.051 2.537 1.00 1.15 H new ATOM 0 HD21 ASN A 95 24.582 -1.282 4.005 1.00 1.99 H new ATOM 0 HD22 ASN A 95 25.278 -0.319 2.698 1.00 1.99 H new ATOM 1507 N LEU A 96 22.431 0.774 -0.365 1.00 0.72 N ATOM 1508 CA LEU A 96 21.497 -0.079 -1.099 1.00 0.63 C ATOM 1509 C LEU A 96 20.595 -0.913 -0.197 1.00 0.64 C ATOM 1510 O LEU A 96 20.093 -1.957 -0.609 1.00 0.67 O ATOM 1511 CB LEU A 96 22.232 -0.976 -2.082 1.00 0.74 C ATOM 1512 CG LEU A 96 22.792 -0.261 -3.316 1.00 0.86 C ATOM 1513 CD1 LEU A 96 23.736 -1.163 -4.091 1.00 1.22 C ATOM 1514 CD2 LEU A 96 21.655 0.203 -4.214 1.00 1.76 C ATOM 0 H LEU A 96 22.360 1.763 -0.606 1.00 0.72 H new ATOM 0 HA LEU A 96 20.846 0.601 -1.648 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.054 -1.465 -1.560 1.00 0.74 H new ATOM 0 HB3 LEU A 96 21.552 -1.761 -2.413 1.00 0.74 H new ATOM 0 HG LEU A 96 23.356 0.608 -2.977 1.00 0.86 H new ATOM 0 HD11 LEU A 96 24.118 -0.629 -4.961 1.00 1.22 H new ATOM 0 HD12 LEU A 96 24.568 -1.455 -3.451 1.00 1.22 H new ATOM 0 HD13 LEU A 96 23.201 -2.054 -4.419 1.00 1.22 H new ATOM 0 HD21 LEU A 96 22.065 0.710 -5.088 1.00 1.76 H new ATOM 0 HD22 LEU A 96 21.070 -0.659 -4.536 1.00 1.76 H new ATOM 0 HD23 LEU A 96 21.014 0.891 -3.663 1.00 1.76 H new ATOM 1526 N GLN A 97 20.363 -0.445 1.017 1.00 0.71 N ATOM 1527 CA GLN A 97 19.339 -1.040 1.852 1.00 0.76 C ATOM 1528 C GLN A 97 17.987 -0.547 1.356 1.00 0.64 C ATOM 1529 O GLN A 97 17.937 0.473 0.658 1.00 0.61 O ATOM 1530 CB GLN A 97 19.567 -0.683 3.331 1.00 0.94 C ATOM 1531 CG GLN A 97 19.702 0.810 3.614 1.00 1.21 C ATOM 1532 CD GLN A 97 18.403 1.456 4.062 1.00 2.02 C ATOM 1533 OE1 GLN A 97 17.654 2.010 3.124 1.00 2.29 O flip ATOM 1534 NE2 GLN A 97 18.085 1.474 5.250 1.00 2.81 N flip ATOM 0 H GLN A 97 20.864 0.336 1.441 1.00 0.71 H new ATOM 0 HA GLN A 97 19.377 -2.127 1.785 1.00 0.76 H new ATOM 0 HB2 GLN A 97 18.737 -1.076 3.918 1.00 0.94 H new ATOM 0 HB3 GLN A 97 20.469 -1.187 3.677 1.00 0.94 H new ATOM 0 HG2 GLN A 97 20.459 0.960 4.384 1.00 1.21 H new ATOM 0 HG3 GLN A 97 20.058 1.312 2.715 1.00 1.21 H new ATOM 0 HE21 GLN A 97 18.688 1.036 5.946 1.00 2.81 H new ATOM 0 HE22 GLN A 97 17.218 1.927 5.539 1.00 2.81 H new ATOM 1543 N PRO A 98 16.887 -1.251 1.665 1.00 0.62 N ATOM 1544 CA PRO A 98 15.552 -0.828 1.243 1.00 0.55 C ATOM 1545 C PRO A 98 15.228 0.564 1.756 1.00 0.55 C ATOM 1546 O PRO A 98 14.852 0.745 2.916 1.00 0.62 O ATOM 1547 CB PRO A 98 14.611 -1.873 1.856 1.00 0.60 C ATOM 1548 CG PRO A 98 15.418 -2.573 2.898 1.00 0.62 C ATOM 1549 CD PRO A 98 16.847 -2.501 2.439 1.00 0.72 C ATOM 0 HA PRO A 98 15.461 -0.771 0.158 1.00 0.55 H new ATOM 0 HB2 PRO A 98 13.731 -1.401 2.293 1.00 0.60 H new ATOM 0 HB3 PRO A 98 14.255 -2.572 1.100 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.297 -2.095 3.870 1.00 0.62 H new ATOM 0 HG3 PRO A 98 15.096 -3.609 3.009 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.540 -2.476 3.280 1.00 0.72 H new ATOM 0 HD3 PRO A 98 17.118 -3.362 1.828 1.00 0.72 H new ATOM 1557 N GLN A 99 15.397 1.554 0.889 1.00 0.51 N ATOM 1558 CA GLN A 99 15.193 2.932 1.275 1.00 0.54 C ATOM 1559 C GLN A 99 13.716 3.172 1.462 1.00 0.50 C ATOM 1560 O GLN A 99 13.286 3.722 2.475 1.00 0.57 O ATOM 1561 CB GLN A 99 15.769 3.881 0.217 1.00 0.56 C ATOM 1562 CG GLN A 99 15.047 5.220 0.129 1.00 0.72 C ATOM 1563 CD GLN A 99 15.200 6.087 1.370 1.00 0.97 C ATOM 1564 OE1 GLN A 99 16.355 6.027 2.016 1.00 1.73 O flip ATOM 1565 NE2 GLN A 99 14.290 6.832 1.727 1.00 1.32 N flip ATOM 0 H GLN A 99 15.675 1.422 -0.084 1.00 0.51 H new ATOM 0 HA GLN A 99 15.714 3.129 2.212 1.00 0.54 H new ATOM 0 HB2 GLN A 99 16.821 4.061 0.439 1.00 0.56 H new ATOM 0 HB3 GLN A 99 15.727 3.392 -0.756 1.00 0.56 H new ATOM 0 HG2 GLN A 99 15.424 5.769 -0.734 1.00 0.72 H new ATOM 0 HG3 GLN A 99 13.987 5.039 -0.047 1.00 0.72 H new ATOM 0 HE21 GLN A 99 13.414 6.853 1.206 1.00 1.32 H new ATOM 0 HE22 GLN A 99 14.411 7.430 2.545 1.00 1.32 H new ATOM 1574 N CYS A 100 12.943 2.695 0.507 1.00 0.43 N ATOM 1575 CA CYS A 100 11.511 2.918 0.512 1.00 0.41 C ATOM 1576 C CYS A 100 10.814 1.968 -0.447 1.00 0.35 C ATOM 1577 O CYS A 100 11.442 1.332 -1.295 1.00 0.39 O ATOM 1578 CB CYS A 100 11.166 4.371 0.143 1.00 0.45 C ATOM 1579 SG CYS A 100 11.274 5.550 1.512 1.00 0.64 S ATOM 0 H CYS A 100 13.284 2.149 -0.284 1.00 0.43 H new ATOM 0 HA CYS A 100 11.158 2.726 1.525 1.00 0.41 H new ATOM 0 HB2 CYS A 100 11.836 4.698 -0.652 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.154 4.398 -0.261 1.00 0.45 H new ATOM 0 HG CYS A 100 12.198 5.167 2.343 1.00 0.64 H new ATOM 1585 N ILE A 101 9.516 1.879 -0.280 1.00 0.29 N ATOM 1586 CA ILE A 101 8.656 1.111 -1.155 1.00 0.27 C ATOM 1587 C ILE A 101 7.728 2.085 -1.861 1.00 0.23 C ATOM 1588 O ILE A 101 7.094 2.906 -1.210 1.00 0.28 O ATOM 1589 CB ILE A 101 7.789 0.074 -0.387 1.00 0.35 C ATOM 1590 CG1 ILE A 101 8.630 -1.011 0.300 1.00 0.66 C ATOM 1591 CG2 ILE A 101 6.787 -0.579 -1.327 1.00 0.37 C ATOM 1592 CD1 ILE A 101 9.398 -0.541 1.518 1.00 0.73 C ATOM 0 H ILE A 101 9.018 2.345 0.479 1.00 0.29 H new ATOM 0 HA ILE A 101 9.286 0.557 -1.851 1.00 0.27 H new ATOM 0 HB ILE A 101 7.264 0.625 0.393 1.00 0.35 H new ATOM 0 HG12 ILE A 101 7.972 -1.828 0.595 1.00 0.66 H new ATOM 0 HG13 ILE A 101 9.337 -1.416 -0.424 1.00 0.66 H new ATOM 0 HG21 ILE A 101 6.188 -1.302 -0.774 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.135 0.184 -1.751 1.00 0.37 H new ATOM 0 HG23 ILE A 101 7.320 -1.088 -2.130 1.00 0.37 H new ATOM 0 HD11 ILE A 101 9.962 -1.375 1.936 1.00 0.73 H new ATOM 0 HD12 ILE A 101 10.085 0.254 1.230 1.00 0.73 H new ATOM 0 HD13 ILE A 101 8.700 -0.164 2.265 1.00 0.73 H new ATOM 1604 N MET A 102 7.643 2.007 -3.167 1.00 0.22 N ATOM 1605 CA MET A 102 6.755 2.882 -3.907 1.00 0.23 C ATOM 1606 C MET A 102 5.616 2.066 -4.478 1.00 0.22 C ATOM 1607 O MET A 102 5.834 1.130 -5.249 1.00 0.24 O ATOM 1608 CB MET A 102 7.501 3.618 -5.016 1.00 0.30 C ATOM 1609 CG MET A 102 8.488 4.648 -4.495 1.00 0.69 C ATOM 1610 SD MET A 102 9.490 5.360 -5.808 1.00 1.47 S ATOM 1611 CE MET A 102 10.225 3.870 -6.469 1.00 1.81 C ATOM 0 H MET A 102 8.174 1.351 -3.741 1.00 0.22 H new ATOM 0 HA MET A 102 6.357 3.637 -3.229 1.00 0.23 H new ATOM 0 HB2 MET A 102 8.034 2.892 -5.630 1.00 0.30 H new ATOM 0 HB3 MET A 102 6.778 4.113 -5.664 1.00 0.30 H new ATOM 0 HG2 MET A 102 7.944 5.443 -3.984 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.140 4.182 -3.756 1.00 0.69 H new ATOM 0 HE1 MET A 102 11.242 4.081 -6.799 1.00 1.81 H new ATOM 0 HE2 MET A 102 10.246 3.101 -5.697 1.00 1.81 H new ATOM 0 HE3 MET A 102 9.635 3.518 -7.315 1.00 1.81 H new ATOM 1621 N CYS A 103 4.412 2.388 -4.048 1.00 0.25 N ATOM 1622 CA CYS A 103 3.242 1.653 -4.475 1.00 0.26 C ATOM 1623 C CYS A 103 2.301 2.529 -5.285 1.00 0.27 C ATOM 1624 O CYS A 103 1.849 3.578 -4.813 1.00 0.32 O ATOM 1625 CB CYS A 103 2.496 1.102 -3.257 1.00 0.31 C ATOM 1626 SG CYS A 103 3.494 0.022 -2.204 1.00 0.39 S ATOM 0 H CYS A 103 4.220 3.154 -3.403 1.00 0.25 H new ATOM 0 HA CYS A 103 3.579 0.832 -5.107 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.131 1.938 -2.660 1.00 0.31 H new ATOM 0 HB3 CYS A 103 1.621 0.549 -3.600 1.00 0.31 H new ATOM 0 HG CYS A 103 2.770 -0.407 -1.213 1.00 0.39 H new ATOM 1632 N VAL A 104 2.029 2.108 -6.505 1.00 0.27 N ATOM 1633 CA VAL A 104 0.950 2.689 -7.276 1.00 0.28 C ATOM 1634 C VAL A 104 -0.290 1.853 -7.026 1.00 0.29 C ATOM 1635 O VAL A 104 -0.327 0.674 -7.382 1.00 0.29 O ATOM 1636 CB VAL A 104 1.263 2.713 -8.788 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.176 3.453 -9.552 1.00 0.35 C ATOM 1638 CG2 VAL A 104 2.625 3.342 -9.047 1.00 0.34 C ATOM 0 H VAL A 104 2.541 1.366 -6.982 1.00 0.27 H new ATOM 0 HA VAL A 104 0.806 3.724 -6.965 1.00 0.28 H new ATOM 0 HB VAL A 104 1.290 1.683 -9.145 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.417 3.458 -10.615 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.781 2.953 -9.399 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.111 4.479 -9.190 1.00 0.35 H new ATOM 0 HG21 VAL A 104 2.825 3.349 -10.118 1.00 0.34 H new ATOM 0 HG22 VAL A 104 2.631 4.365 -8.671 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.396 2.764 -8.538 1.00 0.34 H new ATOM 1648 N ASN A 105 -1.291 2.443 -6.398 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.465 1.683 -5.992 1.00 0.30 C ATOM 1650 C ASN A 105 -3.669 2.056 -6.826 1.00 0.27 C ATOM 1651 O ASN A 105 -3.921 3.235 -7.081 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.781 1.896 -4.512 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.606 1.578 -3.613 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -1.376 0.427 -3.250 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -0.862 2.603 -3.234 1.00 0.63 N ATOM 0 H ASN A 105 -1.318 3.434 -6.159 1.00 0.29 H new ATOM 0 HA ASN A 105 -2.236 0.629 -6.152 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -3.084 2.931 -4.355 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.628 1.270 -4.232 1.00 0.33 H new ATOM 0 HD21 ASN A 105 -0.063 2.453 -2.618 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -1.087 3.544 -3.558 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.418 1.038 -7.211 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.573 1.199 -8.069 1.00 0.24 C ATOM 1664 C TYR A 106 -6.817 0.711 -7.336 1.00 0.25 C ATOM 1665 O TYR A 106 -6.988 -0.491 -7.137 1.00 0.26 O ATOM 1666 CB TYR A 106 -5.397 0.382 -9.358 1.00 0.29 C ATOM 1667 CG TYR A 106 -4.128 0.679 -10.137 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -2.928 0.065 -9.803 1.00 0.31 C ATOM 1669 CD2 TYR A 106 -4.126 1.588 -11.193 1.00 0.35 C ATOM 1670 CE1 TYR A 106 -1.765 0.345 -10.495 1.00 0.35 C ATOM 1671 CE2 TYR A 106 -2.966 1.870 -11.894 1.00 0.40 C ATOM 1672 CZ TYR A 106 -1.810 1.200 -11.590 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.630 1.528 -12.228 1.00 0.48 O ATOM 0 H TYR A 106 -4.239 0.073 -6.935 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.678 2.253 -8.326 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -5.410 -0.678 -9.103 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -6.254 0.564 -10.006 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -2.903 -0.644 -8.988 1.00 0.31 H new ATOM 0 HD2 TYR A 106 -5.046 2.081 -11.470 1.00 0.35 H new ATOM 0 HE1 TYR A 106 -0.829 -0.097 -10.187 1.00 0.35 H new ATOM 0 HE2 TYR A 106 -2.972 2.614 -12.677 1.00 0.40 H new ATOM 0 HH TYR A 106 -0.819 2.133 -12.975 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.662 1.638 -6.911 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.906 1.278 -6.240 1.00 0.28 C ATOM 1685 C VAL A 107 -9.898 0.755 -7.270 1.00 0.33 C ATOM 1686 O VAL A 107 -10.456 1.520 -8.060 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.531 2.473 -5.493 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.772 2.040 -4.724 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.514 3.111 -4.562 1.00 0.62 C ATOM 0 H VAL A 107 -7.512 2.641 -7.017 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.675 0.510 -5.502 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.833 3.217 -6.230 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -11.196 2.899 -4.205 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.508 1.636 -5.419 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.501 1.274 -3.997 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.973 3.953 -4.043 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -8.177 2.375 -3.832 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.661 3.464 -5.142 1.00 0.62 H new ATOM 1699 N LEU A 108 -10.098 -0.548 -7.266 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.876 -1.205 -8.299 1.00 0.39 C ATOM 1701 C LEU A 108 -12.310 -1.441 -7.854 1.00 0.44 C ATOM 1702 O LEU A 108 -13.253 -0.948 -8.474 1.00 0.60 O ATOM 1703 CB LEU A 108 -10.199 -2.522 -8.660 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.793 -2.363 -9.234 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -7.920 -3.527 -8.835 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.851 -2.252 -10.744 1.00 0.48 C ATOM 0 H LEU A 108 -9.729 -1.177 -6.553 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.918 -0.559 -9.176 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -10.148 -3.148 -7.769 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.818 -3.050 -9.385 1.00 0.44 H new ATOM 0 HG LEU A 108 -8.360 -1.449 -8.828 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -6.923 -3.394 -9.254 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -7.853 -3.576 -7.748 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -8.353 -4.453 -9.214 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.842 -2.139 -11.140 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -9.304 -3.153 -11.158 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -9.449 -1.384 -11.022 1.00 0.48 H new ATOM 1718 N SER A 109 -12.482 -2.196 -6.784 1.00 0.44 N ATOM 1719 CA SER A 109 -13.812 -2.505 -6.297 1.00 0.54 C ATOM 1720 C SER A 109 -14.168 -1.582 -5.138 1.00 0.64 C ATOM 1721 O SER A 109 -13.285 -1.013 -4.493 1.00 0.93 O ATOM 1722 CB SER A 109 -13.894 -3.973 -5.867 1.00 0.64 C ATOM 1723 OG SER A 109 -15.233 -4.361 -5.605 1.00 1.46 O ATOM 0 H SER A 109 -11.722 -2.604 -6.239 1.00 0.44 H new ATOM 0 HA SER A 109 -14.531 -2.346 -7.101 1.00 0.54 H new ATOM 0 HB2 SER A 109 -13.476 -4.607 -6.649 1.00 0.64 H new ATOM 0 HB3 SER A 109 -13.288 -4.127 -4.974 1.00 0.64 H new ATOM 0 HG SER A 109 -15.254 -5.303 -5.335 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.461 -1.442 -4.879 1.00 0.62 N ATOM 1730 CA GLU A 110 -15.944 -0.527 -3.859 1.00 0.74 C ATOM 1731 C GLU A 110 -15.910 -1.173 -2.474 1.00 0.59 C ATOM 1732 O GLU A 110 -15.256 -2.197 -2.273 1.00 0.55 O ATOM 1733 CB GLU A 110 -17.359 -0.053 -4.210 1.00 1.07 C ATOM 1734 CG GLU A 110 -18.378 -1.173 -4.353 1.00 1.46 C ATOM 1735 CD GLU A 110 -19.710 -0.677 -4.878 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -20.214 0.346 -4.366 1.00 2.94 O ATOM 1737 OE2 GLU A 110 -20.259 -1.304 -5.808 1.00 2.41 O ATOM 0 H GLU A 110 -16.196 -1.955 -5.366 1.00 0.62 H new ATOM 0 HA GLU A 110 -15.282 0.339 -3.830 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -17.700 0.636 -3.438 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -17.320 0.508 -5.144 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -17.985 -1.934 -5.027 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -18.527 -1.651 -3.385 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.615 -0.568 -1.529 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.560 -0.992 -0.136 1.00 0.59 C ATOM 1746 C ILE A 111 -17.255 -2.323 0.085 1.00 0.58 C ATOM 1747 O ILE A 111 -18.475 -2.444 -0.043 1.00 0.68 O ATOM 1748 CB ILE A 111 -17.180 0.074 0.795 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -16.568 1.448 0.505 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -16.959 -0.305 2.255 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -17.207 2.582 1.278 1.00 0.89 C ATOM 0 H ILE A 111 -17.236 0.223 -1.702 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.505 -1.114 0.109 1.00 0.59 H new ATOM 0 HB ILE A 111 -18.253 0.121 0.607 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -15.504 1.417 0.739 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -16.654 1.655 -0.562 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -17.401 0.455 2.899 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -17.428 -1.268 2.456 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -15.890 -0.373 2.455 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -16.718 3.521 1.017 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -18.266 2.642 1.027 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -17.098 2.401 2.347 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.450 -3.311 0.416 1.00 0.53 N ATOM 1764 CA GLU A 112 -16.930 -4.585 0.885 1.00 0.61 C ATOM 1765 C GLU A 112 -16.710 -4.636 2.387 1.00 0.64 C ATOM 1766 O GLU A 112 -15.581 -4.725 2.869 1.00 0.73 O ATOM 1767 CB GLU A 112 -16.213 -5.738 0.185 1.00 0.68 C ATOM 1768 CG GLU A 112 -16.443 -7.077 0.862 1.00 1.14 C ATOM 1769 CD GLU A 112 -15.874 -8.249 0.088 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -15.100 -8.010 -0.867 1.00 1.64 O ATOM 1771 OE2 GLU A 112 -16.191 -9.409 0.429 1.00 1.56 O ATOM 0 H GLU A 112 -15.433 -3.247 0.365 1.00 0.53 H new ATOM 0 HA GLU A 112 -17.990 -4.693 0.656 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -16.554 -5.796 -0.849 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -15.143 -5.530 0.157 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -15.995 -7.055 1.855 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -17.514 -7.227 0.999 1.00 1.14 H new