USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=36 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 99 GLN : amide:sc= 0 X(o=0.47,f=0.63) USER MOD Set 1.2: A 100 CYS SG : rot 23:sc= 0.474 USER MOD Set 2.1: A 92 ASN : amide:sc= -0.803 K(o=-2.1,f=-14!) USER MOD Set 2.2: A 95 ASN : amide:sc= -1.25 K(o=-2.1,f=-3.3!) USER MOD Set 3.1: A 10 SER OG : rot 113:sc= -0.508 USER MOD Set 3.2: A 12 HIS : no HE2:sc= -0.927 K(o=3.4,f=-0.14!) USER MOD Set 3.3: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 3.4: A 53 MET CE :methyl 155:sc= -0.099 (180deg=-0.556) USER MOD Set 3.5: A 71 TYR OH : rot 129:sc= 1.13 USER MOD Set 3.6: A 85 THR OG1 : rot 100:sc= 2.38 USER MOD Set 3.7: A 103 CYS SG : rot -160:sc= -0.719 USER MOD Set 3.8: A 105 ASN : amide:sc= 2.18 K(o=3.4,f=1.9) USER MOD Set 4.1: A 70 GLN : amide:sc= -1.17 K(o=-1.2,f=0.011) USER MOD Set 4.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 59 ASN : amide:sc= -0.57 K(o=0.61,f=-10!) USER MOD Set 5.2: A 63 LYS NZ :NH3+ 154:sc= 1.18 (180deg=-0.225) USER MOD Set 6.1: A 56 SER OG : rot 137:sc= 0.346 USER MOD Set 6.2: A 68 SER OG : rot 171:sc= 0.323 USER MOD Set 7.1: A 16 MET CE :methyl 142:sc= -3.64! (180deg=-5.14!) USER MOD Set 7.2: A 57 HIS : no HD1:sc= -0.0926 K(o=-3.7,f=-4.3) USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= -0.164 (180deg=-0.581) USER MOD Single : A 7 THR OG1 : rot -99:sc= 0.32 USER MOD Single : A 13 SER OG : rot 26:sc= 0.025 USER MOD Single : A 14 MET CE :methyl 171:sc=-0.00141 (180deg=-0.188) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= -0.429 (180deg=-0.834!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -39:sc= -3.78! USER MOD Single : A 26 THR OG1 : rot -83:sc= 1.29 USER MOD Single : A 31 TYR OH : rot 120:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-2.2!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0643 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -5.23! C(o=-5!,f=-6.9!) USER MOD Single : A 50 SER OG : rot 75:sc= 0.987 USER MOD Single : A 52 ASN : amide:sc= -1 K(o=-1,f=0) USER MOD Single : A 54 THR OG1 : rot 57:sc= 1.09 USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -0.0971 (180deg=-0.453) USER MOD Single : A 58 GLN : amide:sc= -1.02 K(o=-1,f=-5.8!) USER MOD Single : A 61 CYS SG : rot -29:sc= 0.0912 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 73 MET CE :methyl -129:sc= -0.0467 (180deg=-2.22!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.725 USER MOD Single : A 86 GLN : amide:sc= -0.572 K(o=-0.57,f=-0.023) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0504 USER MOD Single : A 91 TYR OH : rot -130:sc=-0.00927 USER MOD Single : A 97 GLN : amide:sc= -0.381 K(o=-0.38,f=-1.6!) USER MOD Single : A 102 MET CE :methyl 157:sc= -0.325 (180deg=-1.04) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 6 -8.706 5.145 -10.288 1.00 0.74 N ATOM 61 CA LYS A 6 -8.509 5.772 -8.996 1.00 0.49 C ATOM 62 C LYS A 6 -7.159 5.342 -8.454 1.00 0.39 C ATOM 63 O LYS A 6 -7.021 4.281 -7.850 1.00 0.48 O ATOM 64 CB LYS A 6 -9.638 5.390 -8.041 1.00 0.68 C ATOM 65 CG LYS A 6 -11.009 5.750 -8.584 1.00 0.95 C ATOM 66 CD LYS A 6 -12.125 5.212 -7.708 1.00 1.62 C ATOM 67 CE LYS A 6 -13.483 5.443 -8.351 1.00 2.01 C ATOM 68 NZ LYS A 6 -13.585 4.798 -9.688 1.00 2.61 N ATOM 0 HA LYS A 6 -8.526 6.857 -9.099 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.598 4.318 -7.847 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.486 5.892 -7.086 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -11.097 6.834 -8.658 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.116 5.352 -9.593 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -11.976 4.146 -7.538 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -12.093 5.698 -6.733 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -14.264 5.051 -7.699 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -13.659 6.514 -8.451 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -14.587 4.696 -9.949 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -13.101 5.387 -10.396 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -13.138 3.859 -9.656 1.00 2.61 H new ATOM 82 N THR A 7 -6.159 6.162 -8.713 1.00 0.30 N ATOM 83 CA THR A 7 -4.790 5.801 -8.441 1.00 0.27 C ATOM 84 C THR A 7 -4.161 6.822 -7.519 1.00 0.21 C ATOM 85 O THR A 7 -4.187 8.014 -7.800 1.00 0.22 O ATOM 86 CB THR A 7 -3.986 5.727 -9.757 1.00 0.33 C ATOM 87 OG1 THR A 7 -4.671 4.881 -10.691 1.00 0.43 O ATOM 88 CG2 THR A 7 -2.581 5.193 -9.522 1.00 0.34 C ATOM 0 H THR A 7 -6.276 7.092 -9.116 1.00 0.30 H new ATOM 0 HA THR A 7 -4.775 4.823 -7.960 1.00 0.27 H new ATOM 0 HB THR A 7 -3.901 6.737 -10.159 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.262 3.990 -10.687 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.043 5.154 -10.469 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.053 5.850 -8.832 1.00 0.34 H new ATOM 0 HG23 THR A 7 -2.639 4.191 -9.096 1.00 0.34 H new ATOM 96 N PHE A 8 -3.616 6.359 -6.416 1.00 0.19 N ATOM 97 CA PHE A 8 -2.924 7.246 -5.506 1.00 0.18 C ATOM 98 C PHE A 8 -1.531 6.707 -5.238 1.00 0.19 C ATOM 99 O PHE A 8 -1.348 5.505 -5.023 1.00 0.22 O ATOM 100 CB PHE A 8 -3.728 7.434 -4.208 1.00 0.21 C ATOM 101 CG PHE A 8 -3.442 6.441 -3.108 1.00 0.23 C ATOM 102 CD1 PHE A 8 -2.451 6.687 -2.171 1.00 0.27 C ATOM 103 CD2 PHE A 8 -4.153 5.254 -3.024 1.00 0.30 C ATOM 104 CE1 PHE A 8 -2.179 5.771 -1.173 1.00 0.36 C ATOM 105 CE2 PHE A 8 -3.888 4.337 -2.028 1.00 0.38 C ATOM 106 CZ PHE A 8 -2.929 4.627 -1.064 1.00 0.40 C ATOM 0 H PHE A 8 -3.638 5.381 -6.128 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.827 8.231 -5.962 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.535 8.436 -3.826 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.790 7.384 -4.450 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -1.885 7.605 -2.221 1.00 0.27 H new ATOM 0 HD2 PHE A 8 -4.926 5.044 -3.749 1.00 0.30 H new ATOM 0 HE1 PHE A 8 -1.374 5.956 -0.477 1.00 0.36 H new ATOM 0 HE2 PHE A 8 -4.423 3.399 -1.997 1.00 0.38 H new ATOM 0 HZ PHE A 8 -2.775 3.955 -0.233 1.00 0.40 H new ATOM 116 N LEU A 9 -0.547 7.580 -5.312 1.00 0.18 N ATOM 117 CA LEU A 9 0.826 7.196 -5.043 1.00 0.20 C ATOM 118 C LEU A 9 1.030 7.049 -3.541 1.00 0.20 C ATOM 119 O LEU A 9 0.469 7.804 -2.752 1.00 0.33 O ATOM 120 CB LEU A 9 1.777 8.251 -5.630 1.00 0.22 C ATOM 121 CG LEU A 9 3.199 7.774 -5.976 1.00 0.27 C ATOM 122 CD1 LEU A 9 4.059 7.611 -4.730 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.144 6.467 -6.751 1.00 0.37 C ATOM 0 H LEU A 9 -0.672 8.562 -5.557 1.00 0.18 H new ATOM 0 HA LEU A 9 1.043 6.237 -5.513 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.323 8.655 -6.535 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.856 9.073 -4.919 1.00 0.22 H new ATOM 0 HG LEU A 9 3.660 8.541 -6.599 1.00 0.27 H new ATOM 0 HD11 LEU A 9 5.055 7.273 -5.017 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.135 8.567 -4.213 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.603 6.876 -4.067 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.157 6.142 -6.989 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.651 5.706 -6.146 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.584 6.615 -7.675 1.00 0.37 H new ATOM 135 N SER A 10 1.825 6.083 -3.146 1.00 0.32 N ATOM 136 CA SER A 10 2.135 5.895 -1.749 1.00 0.32 C ATOM 137 C SER A 10 3.533 5.335 -1.632 1.00 0.28 C ATOM 138 O SER A 10 4.120 4.888 -2.619 1.00 0.29 O ATOM 139 CB SER A 10 1.121 4.975 -1.058 1.00 0.41 C ATOM 140 OG SER A 10 1.182 3.650 -1.554 1.00 1.10 O ATOM 0 H SER A 10 2.270 5.414 -3.774 1.00 0.32 H new ATOM 0 HA SER A 10 2.078 6.859 -1.244 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.310 4.969 0.016 1.00 0.41 H new ATOM 0 HB3 SER A 10 0.116 5.370 -1.203 1.00 0.41 H new ATOM 0 HG SER A 10 1.513 3.053 -0.851 1.00 1.10 H new ATOM 146 N ARG A 11 4.067 5.353 -0.437 1.00 0.28 N ATOM 147 CA ARG A 11 5.405 4.867 -0.236 1.00 0.30 C ATOM 148 C ARG A 11 5.605 4.441 1.207 1.00 0.21 C ATOM 149 O ARG A 11 4.969 4.960 2.124 1.00 0.21 O ATOM 150 CB ARG A 11 6.446 5.894 -0.703 1.00 0.51 C ATOM 151 CG ARG A 11 7.301 6.481 0.396 1.00 0.99 C ATOM 152 CD ARG A 11 8.473 7.260 -0.176 1.00 1.00 C ATOM 153 NE ARG A 11 8.041 8.295 -1.121 1.00 1.28 N ATOM 154 CZ ARG A 11 8.784 9.349 -1.468 1.00 1.70 C ATOM 155 NH1 ARG A 11 9.977 9.540 -0.916 1.00 1.99 N ATOM 156 NH2 ARG A 11 8.331 10.216 -2.363 1.00 2.46 N ATOM 0 H ARG A 11 3.600 5.696 0.403 1.00 0.28 H new ATOM 0 HA ARG A 11 5.552 3.981 -0.854 1.00 0.30 H new ATOM 0 HB2 ARG A 11 7.098 5.420 -1.436 1.00 0.51 H new ATOM 0 HB3 ARG A 11 5.929 6.706 -1.214 1.00 0.51 H new ATOM 0 HG2 ARG A 11 6.695 7.137 1.020 1.00 0.99 H new ATOM 0 HG3 ARG A 11 7.671 5.682 1.038 1.00 0.99 H new ATOM 0 HD2 ARG A 11 9.031 7.723 0.638 1.00 1.00 H new ATOM 0 HD3 ARG A 11 9.154 6.573 -0.678 1.00 1.00 H new ATOM 0 HE ARG A 11 7.115 8.204 -1.539 1.00 1.28 H new ATOM 0 HH11 ARG A 11 10.330 8.880 -0.223 1.00 1.99 H new ATOM 0 HH12 ARG A 11 10.540 10.347 -1.185 1.00 1.99 H new ATOM 0 HH21 ARG A 11 7.414 10.078 -2.788 1.00 2.46 H new ATOM 0 HH22 ARG A 11 8.900 11.021 -2.627 1.00 2.46 H new ATOM 170 N HIS A 12 6.451 3.456 1.382 1.00 0.25 N ATOM 171 CA HIS A 12 6.734 2.887 2.684 1.00 0.32 C ATOM 172 C HIS A 12 8.236 2.934 2.906 1.00 0.32 C ATOM 173 O HIS A 12 8.963 3.378 2.028 1.00 0.36 O ATOM 174 CB HIS A 12 6.246 1.435 2.763 1.00 0.36 C ATOM 175 CG HIS A 12 4.830 1.203 2.304 1.00 0.41 C ATOM 176 ND1 HIS A 12 3.827 0.762 3.140 1.00 0.89 N ATOM 177 CD2 HIS A 12 4.270 1.287 1.073 1.00 0.41 C ATOM 178 CE1 HIS A 12 2.724 0.581 2.446 1.00 0.86 C ATOM 179 NE2 HIS A 12 2.961 0.892 1.187 1.00 0.51 N ATOM 0 H HIS A 12 6.969 3.020 0.620 1.00 0.25 H new ATOM 0 HA HIS A 12 6.214 3.460 3.452 1.00 0.32 H new ATOM 0 HB2 HIS A 12 6.911 0.813 2.163 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.336 1.095 3.795 1.00 0.36 H new ATOM 0 HD1 HIS A 12 3.925 0.601 4.142 1.00 0.89 H new ATOM 0 HD2 HIS A 12 4.764 1.607 0.167 1.00 0.41 H new ATOM 0 HE1 HIS A 12 1.781 0.235 2.842 1.00 0.86 H new ATOM 188 N SER A 13 8.701 2.506 4.059 1.00 0.32 N ATOM 189 CA SER A 13 10.133 2.425 4.301 1.00 0.35 C ATOM 190 C SER A 13 10.477 1.105 4.969 1.00 0.43 C ATOM 191 O SER A 13 9.800 0.717 5.913 1.00 0.91 O ATOM 192 CB SER A 13 10.587 3.585 5.185 1.00 0.68 C ATOM 193 OG SER A 13 9.834 3.627 6.385 1.00 1.70 O ATOM 0 H SER A 13 8.117 2.210 4.841 1.00 0.32 H new ATOM 0 HA SER A 13 10.651 2.486 3.344 1.00 0.35 H new ATOM 0 HB2 SER A 13 11.646 3.477 5.418 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.473 4.525 4.646 1.00 0.68 H new ATOM 0 HG SER A 13 9.502 2.729 6.594 1.00 1.70 H new ATOM 199 N MET A 14 11.515 0.427 4.457 1.00 0.27 N ATOM 200 CA MET A 14 12.039 -0.823 5.041 1.00 0.36 C ATOM 201 C MET A 14 10.938 -1.827 5.415 1.00 0.33 C ATOM 202 O MET A 14 10.563 -2.693 4.615 1.00 0.40 O ATOM 203 CB MET A 14 12.882 -0.487 6.278 1.00 0.56 C ATOM 204 CG MET A 14 14.074 0.411 5.973 1.00 1.35 C ATOM 205 SD MET A 14 14.781 1.180 7.444 1.00 1.76 S ATOM 206 CE MET A 14 15.159 -0.262 8.435 1.00 2.75 C ATOM 0 H MET A 14 12.019 0.729 3.623 1.00 0.27 H new ATOM 0 HA MET A 14 12.649 -1.305 4.277 1.00 0.36 H new ATOM 0 HB2 MET A 14 12.249 0.002 7.018 1.00 0.56 H new ATOM 0 HB3 MET A 14 13.240 -1.413 6.727 1.00 0.56 H new ATOM 0 HG2 MET A 14 14.844 -0.176 5.472 1.00 1.35 H new ATOM 0 HG3 MET A 14 13.764 1.190 5.277 1.00 1.35 H new ATOM 0 HE1 MET A 14 15.745 0.037 9.304 1.00 2.75 H new ATOM 0 HE2 MET A 14 14.232 -0.729 8.767 1.00 2.75 H new ATOM 0 HE3 MET A 14 15.730 -0.973 7.839 1.00 2.75 H new ATOM 216 N ASP A 15 10.427 -1.679 6.633 1.00 0.36 N ATOM 217 CA ASP A 15 9.389 -2.555 7.185 1.00 0.41 C ATOM 218 C ASP A 15 8.052 -2.369 6.470 1.00 0.34 C ATOM 219 O ASP A 15 7.127 -3.157 6.663 1.00 0.41 O ATOM 220 CB ASP A 15 9.213 -2.294 8.684 1.00 0.56 C ATOM 221 CG ASP A 15 9.003 -0.827 8.996 1.00 1.18 C ATOM 222 OD1 ASP A 15 7.870 -0.330 8.839 1.00 1.49 O ATOM 223 OD2 ASP A 15 9.977 -0.159 9.401 1.00 2.07 O ATOM 0 H ASP A 15 10.722 -0.942 7.274 1.00 0.36 H new ATOM 0 HA ASP A 15 9.715 -3.583 7.030 1.00 0.41 H new ATOM 0 HB2 ASP A 15 8.361 -2.866 9.052 1.00 0.56 H new ATOM 0 HB3 ASP A 15 10.093 -2.654 9.218 1.00 0.56 H new ATOM 228 N MET A 16 7.963 -1.311 5.662 1.00 0.29 N ATOM 229 CA MET A 16 6.803 -1.052 4.817 1.00 0.35 C ATOM 230 C MET A 16 5.636 -0.478 5.638 1.00 0.37 C ATOM 231 O MET A 16 4.469 -0.707 5.327 1.00 0.69 O ATOM 232 CB MET A 16 6.402 -2.337 4.056 1.00 0.49 C ATOM 233 CG MET A 16 5.261 -2.167 3.065 1.00 0.67 C ATOM 234 SD MET A 16 4.993 -3.629 2.046 1.00 0.73 S ATOM 235 CE MET A 16 6.429 -3.562 0.980 1.00 0.48 C ATOM 0 H MET A 16 8.698 -0.609 5.577 1.00 0.29 H new ATOM 0 HA MET A 16 7.068 -0.296 4.078 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.275 -2.712 3.521 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.122 -3.099 4.783 1.00 0.49 H new ATOM 0 HG2 MET A 16 4.345 -1.937 3.609 1.00 0.67 H new ATOM 0 HG3 MET A 16 5.471 -1.314 2.420 1.00 0.67 H new ATOM 0 HE1 MET A 16 6.799 -4.572 0.805 1.00 0.48 H new ATOM 0 HE2 MET A 16 6.155 -3.106 0.029 1.00 0.48 H new ATOM 0 HE3 MET A 16 7.208 -2.967 1.456 1.00 0.48 H new ATOM 245 N LYS A 17 5.950 0.318 6.662 1.00 0.31 N ATOM 246 CA LYS A 17 4.896 0.909 7.493 1.00 0.31 C ATOM 247 C LYS A 17 3.976 1.852 6.699 1.00 0.27 C ATOM 248 O LYS A 17 2.800 1.575 6.589 1.00 0.29 O ATOM 249 CB LYS A 17 5.490 1.663 8.693 1.00 0.42 C ATOM 250 CG LYS A 17 6.505 2.737 8.318 1.00 0.59 C ATOM 251 CD LYS A 17 7.012 3.507 9.531 1.00 0.70 C ATOM 252 CE LYS A 17 8.181 2.814 10.223 1.00 0.98 C ATOM 253 NZ LYS A 17 7.804 1.500 10.809 1.00 1.40 N ATOM 0 H LYS A 17 6.902 0.565 6.933 1.00 0.31 H new ATOM 0 HA LYS A 17 4.293 0.075 7.852 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.678 2.126 9.254 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.968 0.944 9.359 1.00 0.42 H new ATOM 0 HG2 LYS A 17 7.349 2.273 7.807 1.00 0.59 H new ATOM 0 HG3 LYS A 17 6.050 3.433 7.614 1.00 0.59 H new ATOM 0 HD2 LYS A 17 7.320 4.505 9.220 1.00 0.70 H new ATOM 0 HD3 LYS A 17 6.196 3.632 10.243 1.00 0.70 H new ATOM 0 HE2 LYS A 17 8.988 2.669 9.505 1.00 0.98 H new ATOM 0 HE3 LYS A 17 8.567 3.461 11.011 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 8.586 1.144 11.394 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 6.955 1.614 11.398 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 7.607 0.823 10.045 1.00 1.40 H new ATOM 267 N PHE A 18 4.548 2.915 6.119 1.00 0.29 N ATOM 268 CA PHE A 18 3.834 3.956 5.341 1.00 0.30 C ATOM 269 C PHE A 18 4.475 5.306 5.656 1.00 0.38 C ATOM 270 O PHE A 18 4.264 5.863 6.725 1.00 0.68 O ATOM 271 CB PHE A 18 2.322 4.045 5.644 1.00 0.27 C ATOM 272 CG PHE A 18 1.430 3.480 4.560 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.313 4.124 3.336 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.691 2.317 4.768 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.488 3.621 2.349 1.00 0.46 C ATOM 276 CE2 PHE A 18 -0.132 1.814 3.780 1.00 0.38 C ATOM 277 CZ PHE A 18 -0.234 2.467 2.570 1.00 0.44 C ATOM 0 H PHE A 18 5.552 3.087 6.175 1.00 0.29 H new ATOM 0 HA PHE A 18 3.922 3.684 4.289 1.00 0.30 H new ATOM 0 HB2 PHE A 18 2.119 3.517 6.576 1.00 0.27 H new ATOM 0 HB3 PHE A 18 2.058 5.090 5.806 1.00 0.27 H new ATOM 0 HD1 PHE A 18 1.874 5.029 3.153 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.763 1.802 5.715 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.408 4.133 1.401 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.696 0.909 3.955 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.878 2.075 1.797 1.00 0.44 H new ATOM 287 N THR A 19 5.287 5.796 4.740 1.00 0.21 N ATOM 288 CA THR A 19 6.019 7.038 4.948 1.00 0.23 C ATOM 289 C THR A 19 5.554 8.134 3.994 1.00 0.22 C ATOM 290 O THR A 19 5.890 9.304 4.167 1.00 0.26 O ATOM 291 CB THR A 19 7.530 6.817 4.787 1.00 0.30 C ATOM 292 OG1 THR A 19 7.783 6.012 3.628 1.00 0.63 O ATOM 293 CG2 THR A 19 8.110 6.142 6.022 1.00 0.43 C ATOM 0 H THR A 19 5.460 5.353 3.838 1.00 0.21 H new ATOM 0 HA THR A 19 5.813 7.363 5.968 1.00 0.23 H new ATOM 0 HB THR A 19 8.011 7.788 4.666 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.748 5.875 3.529 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.182 5.995 5.887 1.00 0.43 H new ATOM 0 HG22 THR A 19 7.937 6.771 6.895 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.627 5.176 6.169 1.00 0.43 H new ATOM 301 N TYR A 20 4.777 7.750 2.992 1.00 0.21 N ATOM 302 CA TYR A 20 4.187 8.711 2.072 1.00 0.23 C ATOM 303 C TYR A 20 2.823 8.222 1.601 1.00 0.21 C ATOM 304 O TYR A 20 2.664 7.056 1.242 1.00 0.22 O ATOM 305 CB TYR A 20 5.104 8.947 0.869 1.00 0.31 C ATOM 306 CG TYR A 20 4.534 9.895 -0.163 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.740 11.263 -0.056 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.796 9.425 -1.242 1.00 0.46 C ATOM 309 CE1 TYR A 20 4.229 12.140 -0.994 1.00 0.60 C ATOM 310 CE2 TYR A 20 3.279 10.295 -2.186 1.00 0.57 C ATOM 311 CZ TYR A 20 3.470 11.624 -2.067 1.00 0.64 C ATOM 312 OH TYR A 20 2.984 12.520 -2.997 1.00 0.77 O ATOM 0 H TYR A 20 4.540 6.778 2.795 1.00 0.21 H new ATOM 0 HA TYR A 20 4.062 9.656 2.601 1.00 0.23 H new ATOM 0 HB2 TYR A 20 6.056 9.342 1.223 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.313 7.990 0.392 1.00 0.31 H new ATOM 0 HD1 TYR A 20 5.310 11.650 0.776 1.00 0.48 H new ATOM 0 HD2 TYR A 20 3.623 8.364 -1.346 1.00 0.46 H new ATOM 0 HE1 TYR A 20 4.407 13.202 -0.908 1.00 0.60 H new ATOM 0 HE2 TYR A 20 2.719 9.906 -3.024 1.00 0.57 H new ATOM 0 HH TYR A 20 2.480 12.037 -3.684 1.00 0.77 H new ATOM 322 N CYS A 21 1.846 9.112 1.626 1.00 0.19 N ATOM 323 CA CYS A 21 0.513 8.811 1.139 1.00 0.19 C ATOM 324 C CYS A 21 -0.011 9.969 0.309 1.00 0.18 C ATOM 325 O CYS A 21 0.093 11.129 0.712 1.00 0.21 O ATOM 326 CB CYS A 21 -0.431 8.551 2.310 1.00 0.20 C ATOM 327 SG CYS A 21 -0.023 7.080 3.268 1.00 0.34 S ATOM 0 H CYS A 21 1.955 10.061 1.984 1.00 0.19 H new ATOM 0 HA CYS A 21 0.563 7.917 0.518 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.420 9.417 2.971 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.448 8.454 1.929 1.00 0.20 H new ATOM 0 HG CYS A 21 0.367 6.134 2.466 1.00 0.34 H new ATOM 333 N ASP A 22 -0.543 9.651 -0.854 1.00 0.17 N ATOM 334 CA ASP A 22 -1.150 10.656 -1.714 1.00 0.18 C ATOM 335 C ASP A 22 -2.430 11.183 -1.079 1.00 0.18 C ATOM 336 O ASP A 22 -3.085 10.480 -0.311 1.00 0.20 O ATOM 337 CB ASP A 22 -1.446 10.062 -3.092 1.00 0.20 C ATOM 338 CG ASP A 22 -1.938 11.087 -4.090 1.00 0.27 C ATOM 339 OD1 ASP A 22 -3.130 11.449 -4.039 1.00 0.55 O ATOM 340 OD2 ASP A 22 -1.134 11.553 -4.920 1.00 0.67 O ATOM 0 H ASP A 22 -0.569 8.703 -1.229 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.452 11.485 -1.835 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.542 9.592 -3.480 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -2.195 9.277 -2.989 1.00 0.20 H new ATOM 345 N ASP A 23 -2.784 12.413 -1.416 1.00 0.20 N ATOM 346 CA ASP A 23 -3.930 13.098 -0.815 1.00 0.23 C ATOM 347 C ASP A 23 -5.227 12.356 -1.113 1.00 0.21 C ATOM 348 O ASP A 23 -6.174 12.388 -0.325 1.00 0.23 O ATOM 349 CB ASP A 23 -4.021 14.535 -1.338 1.00 0.31 C ATOM 350 CG ASP A 23 -2.903 15.426 -0.832 1.00 1.33 C ATOM 351 OD1 ASP A 23 -1.725 15.009 -0.882 1.00 1.97 O ATOM 352 OD2 ASP A 23 -3.192 16.557 -0.385 1.00 2.12 O ATOM 0 H ASP A 23 -2.289 12.969 -2.113 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.784 13.117 0.265 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -4.000 14.520 -2.428 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -4.979 14.962 -1.043 1.00 0.31 H new ATOM 357 N ARG A 24 -5.239 11.665 -2.244 1.00 0.20 N ATOM 358 CA ARG A 24 -6.401 10.922 -2.712 1.00 0.21 C ATOM 359 C ARG A 24 -6.805 9.802 -1.751 1.00 0.19 C ATOM 360 O ARG A 24 -7.952 9.346 -1.767 1.00 0.21 O ATOM 361 CB ARG A 24 -6.130 10.364 -4.110 1.00 0.24 C ATOM 362 CG ARG A 24 -6.302 11.404 -5.210 1.00 0.66 C ATOM 363 CD ARG A 24 -5.658 10.964 -6.514 1.00 1.23 C ATOM 364 NE ARG A 24 -4.200 11.051 -6.456 1.00 1.64 N ATOM 365 CZ ARG A 24 -3.400 10.921 -7.513 1.00 2.49 C ATOM 366 NH1 ARG A 24 -3.912 10.723 -8.721 1.00 3.22 N ATOM 367 NH2 ARG A 24 -2.085 11.008 -7.361 1.00 2.98 N ATOM 0 H ARG A 24 -4.435 11.604 -2.869 1.00 0.20 H new ATOM 0 HA ARG A 24 -7.241 11.615 -2.754 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -5.115 9.969 -4.147 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.804 9.529 -4.299 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -7.364 11.587 -5.374 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -5.862 12.348 -4.889 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -5.952 9.938 -6.737 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -6.027 11.586 -7.330 1.00 1.23 H new ATOM 0 HE ARG A 24 -3.768 11.222 -5.548 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -4.923 10.670 -8.844 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -3.294 10.624 -9.527 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -1.688 11.174 -6.436 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -1.471 10.909 -8.169 1.00 2.98 H new ATOM 381 N ILE A 25 -5.875 9.356 -0.907 1.00 0.17 N ATOM 382 CA ILE A 25 -6.142 8.234 -0.011 1.00 0.18 C ATOM 383 C ILE A 25 -7.317 8.549 0.923 1.00 0.19 C ATOM 384 O ILE A 25 -8.060 7.654 1.318 1.00 0.21 O ATOM 385 CB ILE A 25 -4.891 7.841 0.812 1.00 0.19 C ATOM 386 CG1 ILE A 25 -5.126 6.504 1.517 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.539 8.920 1.827 1.00 0.19 C ATOM 388 CD1 ILE A 25 -3.891 5.946 2.185 1.00 0.76 C ATOM 0 H ILE A 25 -4.938 9.751 -0.826 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.408 7.381 -0.635 1.00 0.18 H new ATOM 0 HB ILE A 25 -4.050 7.739 0.126 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -5.908 6.630 2.266 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.494 5.780 0.790 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.657 8.616 2.390 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.333 9.856 1.307 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.375 9.062 2.512 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -4.134 4.997 2.664 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -3.114 5.787 1.438 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.534 6.651 2.936 1.00 0.76 H new ATOM 400 N THR A 26 -7.483 9.831 1.249 1.00 0.20 N ATOM 401 CA THR A 26 -8.624 10.292 2.044 1.00 0.22 C ATOM 402 C THR A 26 -9.952 9.829 1.443 1.00 0.25 C ATOM 403 O THR A 26 -10.893 9.492 2.160 1.00 0.31 O ATOM 404 CB THR A 26 -8.640 11.829 2.158 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.540 12.421 0.854 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.503 12.323 3.036 1.00 0.26 C ATOM 0 H THR A 26 -6.839 10.573 0.974 1.00 0.20 H new ATOM 0 HA THR A 26 -8.509 9.855 3.036 1.00 0.22 H new ATOM 0 HB THR A 26 -9.583 12.124 2.618 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.599 12.461 0.584 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.538 13.411 3.099 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.604 11.898 4.035 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.550 12.015 2.605 1.00 0.26 H new ATOM 414 N GLU A 27 -10.008 9.804 0.118 1.00 0.25 N ATOM 415 CA GLU A 27 -11.210 9.413 -0.600 1.00 0.30 C ATOM 416 C GLU A 27 -11.256 7.912 -0.840 1.00 0.33 C ATOM 417 O GLU A 27 -12.328 7.342 -1.041 1.00 0.43 O ATOM 418 CB GLU A 27 -11.275 10.148 -1.940 1.00 0.38 C ATOM 419 CG GLU A 27 -11.728 11.590 -1.818 1.00 0.55 C ATOM 420 CD GLU A 27 -13.186 11.689 -1.436 1.00 1.43 C ATOM 421 OE1 GLU A 27 -13.497 11.612 -0.230 1.00 2.28 O ATOM 422 OE2 GLU A 27 -14.032 11.817 -2.344 1.00 1.63 O ATOM 0 H GLU A 27 -9.224 10.053 -0.485 1.00 0.25 H new ATOM 0 HA GLU A 27 -12.069 9.683 0.015 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.290 10.123 -2.407 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -11.956 9.616 -2.604 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -11.121 12.100 -1.070 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -11.565 12.104 -2.765 1.00 0.55 H new ATOM 429 N LEU A 28 -10.097 7.273 -0.805 1.00 0.27 N ATOM 430 CA LEU A 28 -9.996 5.874 -1.199 1.00 0.30 C ATOM 431 C LEU A 28 -10.026 4.926 0.005 1.00 0.31 C ATOM 432 O LEU A 28 -10.812 3.982 0.036 1.00 0.35 O ATOM 433 CB LEU A 28 -8.719 5.666 -2.016 1.00 0.30 C ATOM 434 CG LEU A 28 -8.570 6.611 -3.217 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.267 6.353 -3.953 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.752 6.469 -4.166 1.00 0.32 C ATOM 0 H LEU A 28 -9.217 7.697 -0.510 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.867 5.634 -1.809 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.858 5.794 -1.360 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.696 4.637 -2.375 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.552 7.633 -2.838 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -7.186 7.035 -4.799 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.428 6.514 -3.275 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.250 5.324 -4.313 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.625 7.148 -5.009 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.805 5.443 -4.531 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.674 6.714 -3.638 1.00 0.32 H new ATOM 448 N ILE A 29 -9.175 5.179 0.991 1.00 0.28 N ATOM 449 CA ILE A 29 -9.081 4.314 2.167 1.00 0.30 C ATOM 450 C ILE A 29 -9.757 4.974 3.372 1.00 0.29 C ATOM 451 O ILE A 29 -9.976 4.352 4.409 1.00 0.33 O ATOM 452 CB ILE A 29 -7.603 4.005 2.514 1.00 0.30 C ATOM 453 CG1 ILE A 29 -6.838 3.529 1.275 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.503 2.960 3.613 1.00 0.34 C ATOM 455 CD1 ILE A 29 -7.406 2.280 0.637 1.00 1.10 C ATOM 0 H ILE A 29 -8.538 5.976 1.003 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.590 3.379 1.932 1.00 0.30 H new ATOM 0 HB ILE A 29 -7.153 4.930 2.873 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -6.831 4.330 0.536 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -5.800 3.342 1.552 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.454 2.764 3.835 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -8.001 3.327 4.510 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -7.982 2.038 3.283 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -6.807 2.011 -0.233 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -7.387 1.462 1.358 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -8.434 2.466 0.326 1.00 1.10 H new ATOM 467 N GLY A 30 -10.112 6.238 3.213 1.00 0.27 N ATOM 468 CA GLY A 30 -10.690 7.006 4.302 1.00 0.29 C ATOM 469 C GLY A 30 -9.652 7.565 5.259 1.00 0.28 C ATOM 470 O GLY A 30 -9.905 8.555 5.949 1.00 0.32 O ATOM 0 H GLY A 30 -10.010 6.754 2.339 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.273 7.829 3.888 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.382 6.373 4.857 1.00 0.29 H new ATOM 474 N TYR A 31 -8.477 6.946 5.314 1.00 0.28 N ATOM 475 CA TYR A 31 -7.389 7.491 6.100 1.00 0.33 C ATOM 476 C TYR A 31 -6.779 8.664 5.357 1.00 0.34 C ATOM 477 O TYR A 31 -6.954 8.795 4.150 1.00 0.43 O ATOM 478 CB TYR A 31 -6.311 6.443 6.380 1.00 0.38 C ATOM 479 CG TYR A 31 -6.732 5.320 7.301 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.267 5.581 8.556 1.00 0.45 C ATOM 481 CD2 TYR A 31 -6.562 3.996 6.926 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.622 4.553 9.408 1.00 0.48 C ATOM 483 CE2 TYR A 31 -6.918 2.962 7.769 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.448 3.244 9.010 1.00 0.46 C ATOM 485 OH TYR A 31 -7.793 2.216 9.862 1.00 0.53 O ATOM 0 H TYR A 31 -8.260 6.076 4.827 1.00 0.28 H new ATOM 0 HA TYR A 31 -7.791 7.816 7.059 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -5.989 6.013 5.432 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.445 6.942 6.814 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -7.408 6.604 8.871 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.143 3.769 5.957 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -8.034 4.774 10.382 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -6.782 1.937 7.458 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.483 1.661 9.442 1.00 0.53 H new ATOM 495 N HIS A 32 -6.056 9.511 6.059 1.00 0.31 N ATOM 496 CA HIS A 32 -5.439 10.654 5.409 1.00 0.34 C ATOM 497 C HIS A 32 -3.934 10.471 5.349 1.00 0.23 C ATOM 498 O HIS A 32 -3.388 9.649 6.076 1.00 0.23 O ATOM 499 CB HIS A 32 -5.829 11.979 6.091 1.00 0.52 C ATOM 500 CG HIS A 32 -5.556 12.097 7.551 1.00 0.68 C ATOM 501 ND1 HIS A 32 -6.464 11.744 8.517 1.00 1.52 N ATOM 502 CD2 HIS A 32 -4.497 12.619 8.205 1.00 1.52 C ATOM 503 CE1 HIS A 32 -5.974 12.050 9.701 1.00 1.90 C ATOM 504 NE2 HIS A 32 -4.781 12.581 9.540 1.00 1.89 N ATOM 0 H HIS A 32 -5.881 9.435 7.061 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.816 10.711 4.388 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -5.305 12.788 5.582 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -6.895 12.140 5.932 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -3.591 12.997 7.755 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -6.470 11.891 10.647 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -4.170 12.910 10.288 1.00 1.89 H new ATOM 513 N PRO A 33 -3.236 11.204 4.464 1.00 0.24 N ATOM 514 CA PRO A 33 -1.788 11.079 4.322 1.00 0.27 C ATOM 515 C PRO A 33 -1.086 11.074 5.673 1.00 0.25 C ATOM 516 O PRO A 33 -0.321 10.167 5.980 1.00 0.29 O ATOM 517 CB PRO A 33 -1.407 12.316 3.515 1.00 0.34 C ATOM 518 CG PRO A 33 -2.614 12.612 2.693 1.00 0.33 C ATOM 519 CD PRO A 33 -3.798 12.202 3.527 1.00 0.29 C ATOM 0 HA PRO A 33 -1.494 10.144 3.845 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -1.156 13.153 4.167 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -0.536 12.128 2.887 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.663 13.671 2.440 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -2.590 12.061 1.753 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -4.228 13.052 4.057 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -4.591 11.774 2.914 1.00 0.29 H new ATOM 527 N GLU A 34 -1.441 12.037 6.514 1.00 0.25 N ATOM 528 CA GLU A 34 -0.793 12.217 7.806 1.00 0.30 C ATOM 529 C GLU A 34 -1.227 11.125 8.766 1.00 0.28 C ATOM 530 O GLU A 34 -0.635 10.942 9.827 1.00 0.32 O ATOM 531 CB GLU A 34 -1.146 13.579 8.384 1.00 0.37 C ATOM 532 CG GLU A 34 -1.043 14.694 7.370 1.00 1.01 C ATOM 533 CD GLU A 34 -1.466 16.033 7.933 1.00 1.68 C ATOM 534 OE1 GLU A 34 -0.614 16.726 8.521 1.00 2.14 O ATOM 535 OE2 GLU A 34 -2.653 16.397 7.794 1.00 2.13 O ATOM 0 H GLU A 34 -2.182 12.711 6.321 1.00 0.25 H new ATOM 0 HA GLU A 34 0.286 12.159 7.665 1.00 0.30 H new ATOM 0 HB2 GLU A 34 -2.161 13.548 8.780 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.483 13.795 9.222 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -0.015 14.762 7.014 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -1.664 14.454 6.507 1.00 1.01 H new ATOM 542 N GLU A 35 -2.269 10.403 8.382 1.00 0.26 N ATOM 543 CA GLU A 35 -2.787 9.335 9.205 1.00 0.29 C ATOM 544 C GLU A 35 -1.852 8.149 9.120 1.00 0.29 C ATOM 545 O GLU A 35 -1.507 7.538 10.129 1.00 0.43 O ATOM 546 CB GLU A 35 -4.177 8.896 8.731 1.00 0.34 C ATOM 547 CG GLU A 35 -5.225 8.871 9.820 1.00 0.61 C ATOM 548 CD GLU A 35 -4.803 8.040 11.016 1.00 1.23 C ATOM 549 OE1 GLU A 35 -4.935 6.799 10.959 1.00 1.81 O ATOM 550 OE2 GLU A 35 -4.350 8.625 12.019 1.00 1.71 O ATOM 0 H GLU A 35 -2.769 10.542 7.504 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.864 9.698 10.230 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.508 9.569 7.940 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -4.101 7.901 8.292 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -5.430 9.891 10.145 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -6.155 8.472 9.415 1.00 0.61 H new ATOM 557 N LEU A 36 -1.433 7.844 7.901 1.00 0.27 N ATOM 558 CA LEU A 36 -0.619 6.670 7.661 1.00 0.29 C ATOM 559 C LEU A 36 0.862 6.972 7.861 1.00 0.32 C ATOM 560 O LEU A 36 1.668 6.061 8.046 1.00 0.46 O ATOM 561 CB LEU A 36 -0.850 6.105 6.262 1.00 0.29 C ATOM 562 CG LEU A 36 -2.260 5.592 6.005 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.156 6.719 5.539 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.248 4.463 4.992 1.00 0.29 C ATOM 0 H LEU A 36 -1.644 8.393 7.068 1.00 0.27 H new ATOM 0 HA LEU A 36 -0.923 5.919 8.390 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.622 6.880 5.530 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.146 5.290 6.094 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.657 5.200 6.942 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.160 6.335 5.360 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.195 7.493 6.305 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -2.759 7.141 4.616 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.267 4.113 4.825 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -1.829 4.822 4.052 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.640 3.641 5.370 1.00 0.29 H new ATOM 576 N LEU A 37 1.212 8.259 7.807 1.00 0.41 N ATOM 577 CA LEU A 37 2.608 8.684 7.804 1.00 0.48 C ATOM 578 C LEU A 37 3.351 8.305 9.080 1.00 0.60 C ATOM 579 O LEU A 37 3.364 9.048 10.064 1.00 1.27 O ATOM 580 CB LEU A 37 2.735 10.189 7.551 1.00 0.76 C ATOM 581 CG LEU A 37 2.424 10.657 6.127 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.204 11.916 5.801 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.724 9.570 5.110 1.00 0.94 C ATOM 0 H LEU A 37 0.542 9.027 7.765 1.00 0.41 H new ATOM 0 HA LEU A 37 3.079 8.144 6.983 1.00 0.48 H new ATOM 0 HB2 LEU A 37 2.068 10.711 8.238 1.00 0.76 H new ATOM 0 HB3 LEU A 37 3.751 10.495 7.799 1.00 0.76 H new ATOM 0 HG LEU A 37 1.358 10.880 6.074 1.00 0.33 H new ATOM 0 HD11 LEU A 37 2.971 12.235 4.785 1.00 0.77 H new ATOM 0 HD12 LEU A 37 2.930 12.705 6.501 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.272 11.714 5.882 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.492 9.934 4.109 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.779 9.303 5.164 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.116 8.692 5.326 1.00 0.94 H new ATOM 595 N GLY A 38 3.947 7.127 9.045 1.00 0.31 N ATOM 596 CA GLY A 38 4.829 6.691 10.099 1.00 0.44 C ATOM 597 C GLY A 38 4.201 5.632 10.969 1.00 0.42 C ATOM 598 O GLY A 38 4.610 5.443 12.117 1.00 0.54 O ATOM 0 H GLY A 38 3.831 6.453 8.288 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.748 6.301 9.662 1.00 0.44 H new ATOM 0 HA3 GLY A 38 5.106 7.547 10.715 1.00 0.44 H new ATOM 602 N ARG A 39 3.218 4.923 10.431 1.00 0.34 N ATOM 603 CA ARG A 39 2.536 3.907 11.210 1.00 0.37 C ATOM 604 C ARG A 39 2.586 2.556 10.516 1.00 0.35 C ATOM 605 O ARG A 39 2.387 2.466 9.306 1.00 0.48 O ATOM 606 CB ARG A 39 1.086 4.300 11.447 1.00 0.48 C ATOM 607 CG ARG A 39 0.262 4.317 10.178 1.00 0.48 C ATOM 608 CD ARG A 39 -1.213 4.486 10.490 1.00 0.69 C ATOM 609 NE ARG A 39 -1.732 3.414 11.343 1.00 1.38 N ATOM 610 CZ ARG A 39 -3.024 3.244 11.633 1.00 1.72 C ATOM 611 NH1 ARG A 39 -3.936 4.110 11.199 1.00 1.80 N ATOM 612 NH2 ARG A 39 -3.397 2.219 12.389 1.00 2.61 N ATOM 0 H ARG A 39 2.881 5.032 9.474 1.00 0.34 H new ATOM 0 HA ARG A 39 3.051 3.827 12.168 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.638 3.603 12.155 1.00 0.48 H new ATOM 0 HB3 ARG A 39 1.054 5.287 11.908 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.597 5.130 9.534 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.417 3.389 9.627 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.369 5.446 10.982 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.778 4.510 9.558 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.063 2.755 11.741 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -3.651 4.913 10.639 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -4.921 3.971 11.426 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -2.698 1.567 12.745 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -4.383 2.083 12.614 1.00 2.61 H new ATOM 626 N SER A 40 2.937 1.536 11.283 1.00 0.37 N ATOM 627 CA SER A 40 2.875 0.146 10.839 1.00 0.43 C ATOM 628 C SER A 40 1.633 -0.151 9.991 1.00 0.39 C ATOM 629 O SER A 40 0.518 -0.247 10.506 1.00 0.43 O ATOM 630 CB SER A 40 2.896 -0.767 12.063 1.00 0.57 C ATOM 631 OG SER A 40 3.886 -0.341 12.985 1.00 1.23 O ATOM 0 H SER A 40 3.276 1.647 12.239 1.00 0.37 H new ATOM 0 HA SER A 40 3.742 -0.038 10.204 1.00 0.43 H new ATOM 0 HB2 SER A 40 1.918 -0.763 12.544 1.00 0.57 H new ATOM 0 HB3 SER A 40 3.096 -1.793 11.755 1.00 0.57 H new ATOM 0 HG SER A 40 3.885 -0.936 13.764 1.00 1.23 H new ATOM 637 N ALA A 41 1.853 -0.263 8.682 1.00 0.35 N ATOM 638 CA ALA A 41 0.808 -0.623 7.732 1.00 0.34 C ATOM 639 C ALA A 41 0.037 -1.839 8.190 1.00 0.33 C ATOM 640 O ALA A 41 -1.182 -1.838 8.172 1.00 0.33 O ATOM 641 CB ALA A 41 1.395 -0.898 6.358 1.00 0.35 C ATOM 0 H ALA A 41 2.764 -0.106 8.252 1.00 0.35 H new ATOM 0 HA ALA A 41 0.127 0.226 7.674 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.595 -1.164 5.667 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.905 -0.006 5.995 1.00 0.35 H new ATOM 0 HB3 ALA A 41 2.106 -1.721 6.424 1.00 0.35 H new ATOM 647 N TYR A 42 0.765 -2.861 8.627 1.00 0.37 N ATOM 648 CA TYR A 42 0.194 -4.168 8.960 1.00 0.42 C ATOM 649 C TYR A 42 -0.945 -4.107 9.984 1.00 0.47 C ATOM 650 O TYR A 42 -1.643 -5.099 10.180 1.00 0.55 O ATOM 651 CB TYR A 42 1.294 -5.113 9.449 1.00 0.47 C ATOM 652 CG TYR A 42 2.285 -5.499 8.372 1.00 0.54 C ATOM 653 CD1 TYR A 42 1.958 -6.451 7.415 1.00 0.72 C ATOM 654 CD2 TYR A 42 3.544 -4.915 8.311 1.00 0.67 C ATOM 655 CE1 TYR A 42 2.857 -6.812 6.429 1.00 0.90 C ATOM 656 CE2 TYR A 42 4.449 -5.270 7.327 1.00 0.84 C ATOM 657 CZ TYR A 42 4.100 -6.218 6.390 1.00 0.91 C ATOM 658 OH TYR A 42 4.996 -6.574 5.407 1.00 1.14 O ATOM 0 H TYR A 42 1.775 -2.809 8.762 1.00 0.37 H new ATOM 0 HA TYR A 42 -0.249 -4.549 8.040 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.830 -4.638 10.271 1.00 0.47 H new ATOM 0 HB3 TYR A 42 0.834 -6.017 9.848 1.00 0.47 H new ATOM 0 HD1 TYR A 42 0.984 -6.917 7.442 1.00 0.72 H new ATOM 0 HD2 TYR A 42 3.821 -4.172 9.044 1.00 0.67 H new ATOM 0 HE1 TYR A 42 2.587 -7.555 5.693 1.00 0.90 H new ATOM 0 HE2 TYR A 42 5.424 -4.807 7.293 1.00 0.84 H new ATOM 0 HH TYR A 42 5.825 -6.063 5.519 1.00 1.14 H new ATOM 668 N GLU A 43 -1.159 -2.959 10.624 1.00 0.48 N ATOM 669 CA GLU A 43 -2.253 -2.818 11.581 1.00 0.56 C ATOM 670 C GLU A 43 -3.588 -2.680 10.841 1.00 0.57 C ATOM 671 O GLU A 43 -4.660 -2.696 11.446 1.00 1.01 O ATOM 672 CB GLU A 43 -2.019 -1.593 12.464 1.00 0.65 C ATOM 673 CG GLU A 43 -0.674 -1.602 13.168 1.00 0.95 C ATOM 674 CD GLU A 43 -0.548 -2.707 14.194 1.00 1.72 C ATOM 675 OE1 GLU A 43 -0.290 -3.861 13.794 1.00 2.57 O ATOM 676 OE2 GLU A 43 -0.716 -2.432 15.401 1.00 1.89 O ATOM 0 H GLU A 43 -0.594 -2.119 10.498 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.288 -3.709 12.209 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -2.094 -0.694 11.852 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -2.811 -1.537 13.211 1.00 0.65 H new ATOM 0 HG2 GLU A 43 0.117 -1.712 12.426 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -0.521 -0.640 13.658 1.00 0.95 H new ATOM 683 N PHE A 44 -3.501 -2.543 9.526 1.00 0.40 N ATOM 684 CA PHE A 44 -4.668 -2.374 8.666 1.00 0.38 C ATOM 685 C PHE A 44 -4.359 -2.871 7.261 1.00 0.30 C ATOM 686 O PHE A 44 -5.219 -2.882 6.377 1.00 0.40 O ATOM 687 CB PHE A 44 -5.085 -0.896 8.621 1.00 0.48 C ATOM 688 CG PHE A 44 -3.993 0.038 8.177 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.825 0.343 6.836 1.00 0.62 C ATOM 690 CD2 PHE A 44 -3.131 0.611 9.099 1.00 0.50 C ATOM 691 CE1 PHE A 44 -2.825 1.200 6.423 1.00 0.77 C ATOM 692 CE2 PHE A 44 -2.129 1.469 8.691 1.00 0.56 C ATOM 693 CZ PHE A 44 -1.971 1.762 7.362 1.00 0.70 C ATOM 0 H PHE A 44 -2.615 -2.546 9.021 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.492 -2.959 9.075 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -5.935 -0.790 7.947 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.425 -0.595 9.612 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -4.486 -0.096 6.103 1.00 0.62 H new ATOM 0 HD2 PHE A 44 -3.244 0.384 10.149 1.00 0.50 H new ATOM 0 HE1 PHE A 44 -2.708 1.432 5.375 1.00 0.77 H new ATOM 0 HE2 PHE A 44 -1.468 1.911 9.422 1.00 0.56 H new ATOM 0 HZ PHE A 44 -1.183 2.429 7.045 1.00 0.70 H new ATOM 703 N TYR A 45 -3.114 -3.266 7.054 1.00 0.29 N ATOM 704 CA TYR A 45 -2.658 -3.802 5.787 1.00 0.28 C ATOM 705 C TYR A 45 -3.242 -5.181 5.526 1.00 0.30 C ATOM 706 O TYR A 45 -2.526 -6.180 5.598 1.00 0.37 O ATOM 707 CB TYR A 45 -1.136 -3.895 5.803 1.00 0.34 C ATOM 708 CG TYR A 45 -0.479 -3.494 4.511 1.00 0.42 C ATOM 709 CD1 TYR A 45 -0.853 -2.329 3.862 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.524 -4.272 3.952 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.248 -1.945 2.684 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.140 -3.893 2.775 1.00 0.68 C ATOM 713 CZ TYR A 45 0.750 -2.729 2.144 1.00 0.68 C ATOM 714 OH TYR A 45 1.360 -2.341 0.973 1.00 0.85 O ATOM 0 H TYR A 45 -2.387 -3.222 7.768 1.00 0.29 H new ATOM 0 HA TYR A 45 -2.992 -3.135 4.992 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.753 -3.262 6.604 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -0.848 -4.919 6.041 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -1.631 -1.711 4.286 1.00 0.47 H new ATOM 0 HD2 TYR A 45 0.827 -5.185 4.443 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -0.554 -1.036 2.187 1.00 0.61 H new ATOM 0 HE2 TYR A 45 1.923 -4.504 2.351 1.00 0.68 H new ATOM 0 HH TYR A 45 2.042 -3.000 0.725 1.00 0.85 H new ATOM 724 N HIS A 46 -4.539 -5.212 5.234 1.00 0.28 N ATOM 725 CA HIS A 46 -5.253 -6.436 4.844 1.00 0.31 C ATOM 726 C HIS A 46 -5.434 -7.356 6.060 1.00 0.37 C ATOM 727 O HIS A 46 -4.500 -7.574 6.826 1.00 0.57 O ATOM 728 CB HIS A 46 -4.516 -7.194 3.718 1.00 0.37 C ATOM 729 CG HIS A 46 -3.815 -6.319 2.715 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.477 -6.016 2.809 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.265 -5.659 1.627 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.142 -5.203 1.832 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.206 -4.971 1.095 1.00 0.43 N ATOM 0 H HIS A 46 -5.134 -4.384 5.260 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.231 -6.139 4.464 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -3.783 -7.862 4.170 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.236 -7.820 3.191 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.275 -5.671 1.245 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.157 -4.794 1.663 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.238 -4.378 0.266 1.00 0.43 H new ATOM 742 N ALA A 47 -6.637 -7.877 6.260 1.00 0.39 N ATOM 743 CA ALA A 47 -6.868 -8.782 7.388 1.00 0.44 C ATOM 744 C ALA A 47 -6.476 -10.220 7.050 1.00 0.44 C ATOM 745 O ALA A 47 -5.536 -10.767 7.621 1.00 0.48 O ATOM 746 CB ALA A 47 -8.323 -8.731 7.820 1.00 0.57 C ATOM 0 H ALA A 47 -7.453 -7.698 5.674 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.236 -8.446 8.210 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.477 -9.409 8.659 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -8.577 -7.715 8.123 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -8.960 -9.032 6.988 1.00 0.57 H new ATOM 752 N LEU A 48 -7.184 -10.819 6.102 1.00 0.48 N ATOM 753 CA LEU A 48 -6.883 -12.179 5.663 1.00 0.53 C ATOM 754 C LEU A 48 -5.990 -12.173 4.431 1.00 0.48 C ATOM 755 O LEU A 48 -5.378 -13.182 4.082 1.00 0.52 O ATOM 756 CB LEU A 48 -8.169 -12.974 5.382 1.00 0.67 C ATOM 757 CG LEU A 48 -9.021 -12.489 4.201 1.00 0.76 C ATOM 758 CD1 LEU A 48 -9.997 -13.573 3.785 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.781 -11.218 4.556 1.00 0.99 C ATOM 0 H LEU A 48 -7.972 -10.386 5.621 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.348 -12.670 6.476 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.897 -14.014 5.204 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.786 -12.956 6.280 1.00 0.67 H new ATOM 0 HG LEU A 48 -8.351 -12.265 3.371 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.597 -13.220 2.946 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -9.445 -14.464 3.486 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -10.651 -13.815 4.623 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -10.376 -10.898 3.700 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.439 -11.412 5.403 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -9.073 -10.432 4.820 1.00 0.99 H new ATOM 771 N ASP A 49 -5.923 -11.024 3.782 1.00 0.45 N ATOM 772 CA ASP A 49 -5.174 -10.872 2.541 1.00 0.45 C ATOM 773 C ASP A 49 -3.771 -10.323 2.828 1.00 0.41 C ATOM 774 O ASP A 49 -2.945 -10.158 1.932 1.00 0.49 O ATOM 775 CB ASP A 49 -5.970 -9.929 1.629 1.00 0.55 C ATOM 776 CG ASP A 49 -5.220 -9.481 0.399 1.00 0.91 C ATOM 777 OD1 ASP A 49 -5.230 -10.210 -0.614 1.00 1.07 O ATOM 778 OD2 ASP A 49 -4.655 -8.373 0.438 1.00 1.64 O ATOM 0 H ASP A 49 -6.384 -10.170 4.097 1.00 0.45 H new ATOM 0 HA ASP A 49 -5.043 -11.835 2.048 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -6.888 -10.429 1.319 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -6.264 -9.050 2.202 1.00 0.55 H new ATOM 783 N SER A 50 -3.502 -10.085 4.105 1.00 0.36 N ATOM 784 CA SER A 50 -2.235 -9.491 4.534 1.00 0.35 C ATOM 785 C SER A 50 -1.051 -10.342 4.094 1.00 0.35 C ATOM 786 O SER A 50 -0.073 -9.818 3.562 1.00 0.41 O ATOM 787 CB SER A 50 -2.201 -9.315 6.051 1.00 0.37 C ATOM 788 OG SER A 50 -1.157 -8.440 6.438 1.00 1.25 O ATOM 0 H SER A 50 -4.146 -10.294 4.868 1.00 0.36 H new ATOM 0 HA SER A 50 -2.159 -8.512 4.060 1.00 0.35 H new ATOM 0 HB2 SER A 50 -3.157 -8.921 6.396 1.00 0.37 H new ATOM 0 HB3 SER A 50 -2.064 -10.284 6.530 1.00 0.37 H new ATOM 0 HG SER A 50 -1.411 -7.516 6.231 1.00 1.25 H new ATOM 794 N GLU A 51 -1.153 -11.646 4.323 1.00 0.38 N ATOM 795 CA GLU A 51 -0.102 -12.590 3.964 1.00 0.45 C ATOM 796 C GLU A 51 0.296 -12.444 2.503 1.00 0.43 C ATOM 797 O GLU A 51 1.474 -12.509 2.164 1.00 0.47 O ATOM 798 CB GLU A 51 -0.554 -14.026 4.232 1.00 0.55 C ATOM 799 CG GLU A 51 -0.736 -14.353 5.708 1.00 1.32 C ATOM 800 CD GLU A 51 -2.130 -14.062 6.230 1.00 1.99 C ATOM 801 OE1 GLU A 51 -2.662 -12.964 5.971 1.00 2.49 O ATOM 802 OE2 GLU A 51 -2.703 -14.941 6.907 1.00 2.68 O ATOM 0 H GLU A 51 -1.966 -12.078 4.762 1.00 0.38 H new ATOM 0 HA GLU A 51 0.766 -12.365 4.584 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -1.496 -14.202 3.713 1.00 0.55 H new ATOM 0 HB3 GLU A 51 0.178 -14.712 3.806 1.00 0.55 H new ATOM 0 HG2 GLU A 51 -0.511 -15.407 5.868 1.00 1.32 H new ATOM 0 HG3 GLU A 51 -0.013 -13.781 6.290 1.00 1.32 H new ATOM 809 N ASN A 52 -0.694 -12.221 1.649 1.00 0.43 N ATOM 810 CA ASN A 52 -0.451 -12.040 0.221 1.00 0.48 C ATOM 811 C ASN A 52 0.566 -10.929 -0.023 1.00 0.41 C ATOM 812 O ASN A 52 1.595 -11.146 -0.664 1.00 0.44 O ATOM 813 CB ASN A 52 -1.755 -11.727 -0.517 1.00 0.56 C ATOM 814 CG ASN A 52 -2.555 -12.970 -0.862 1.00 1.11 C ATOM 815 OD1 ASN A 52 -3.247 -13.015 -1.881 1.00 1.96 O ATOM 816 ND2 ASN A 52 -2.471 -13.989 -0.020 1.00 1.31 N ATOM 0 H ASN A 52 -1.676 -12.161 1.920 1.00 0.43 H new ATOM 0 HA ASN A 52 -0.045 -12.974 -0.167 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -2.366 -11.068 0.100 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -1.526 -11.183 -1.433 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -2.990 -14.848 -0.205 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -1.888 -13.915 0.814 1.00 1.31 H new ATOM 823 N MET A 53 0.288 -9.749 0.512 1.00 0.35 N ATOM 824 CA MET A 53 1.203 -8.624 0.349 1.00 0.35 C ATOM 825 C MET A 53 2.415 -8.743 1.266 1.00 0.34 C ATOM 826 O MET A 53 3.443 -8.115 1.020 1.00 0.35 O ATOM 827 CB MET A 53 0.504 -7.283 0.546 1.00 0.42 C ATOM 828 CG MET A 53 -0.457 -6.945 -0.581 1.00 0.96 C ATOM 829 SD MET A 53 -0.569 -5.171 -0.892 1.00 1.28 S ATOM 830 CE MET A 53 1.063 -4.846 -1.554 1.00 0.79 C ATOM 0 H MET A 53 -0.551 -9.545 1.055 1.00 0.35 H new ATOM 0 HA MET A 53 1.558 -8.661 -0.681 1.00 0.35 H new ATOM 0 HB2 MET A 53 -0.042 -7.299 1.489 1.00 0.42 H new ATOM 0 HB3 MET A 53 1.254 -6.496 0.625 1.00 0.42 H new ATOM 0 HG2 MET A 53 -0.134 -7.450 -1.492 1.00 0.96 H new ATOM 0 HG3 MET A 53 -1.447 -7.330 -0.337 1.00 0.96 H new ATOM 0 HE1 MET A 53 1.029 -3.960 -2.188 1.00 0.79 H new ATOM 0 HE2 MET A 53 1.762 -4.679 -0.734 1.00 0.79 H new ATOM 0 HE3 MET A 53 1.393 -5.701 -2.144 1.00 0.79 H new ATOM 840 N THR A 54 2.305 -9.541 2.319 1.00 0.37 N ATOM 841 CA THR A 54 3.465 -9.843 3.146 1.00 0.45 C ATOM 842 C THR A 54 4.497 -10.601 2.313 1.00 0.45 C ATOM 843 O THR A 54 5.680 -10.265 2.314 1.00 0.48 O ATOM 844 CB THR A 54 3.088 -10.663 4.397 1.00 0.55 C ATOM 845 OG1 THR A 54 2.102 -9.956 5.164 1.00 0.57 O ATOM 846 CG2 THR A 54 4.311 -10.927 5.266 1.00 0.72 C ATOM 0 H THR A 54 1.437 -9.986 2.618 1.00 0.37 H new ATOM 0 HA THR A 54 3.885 -8.899 3.494 1.00 0.45 H new ATOM 0 HB THR A 54 2.683 -11.620 4.067 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.322 -9.770 4.601 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.017 -11.507 6.141 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.051 -11.485 4.693 1.00 0.72 H new ATOM 0 HG23 THR A 54 4.741 -9.978 5.587 1.00 0.72 H new ATOM 854 N LYS A 55 4.033 -11.601 1.569 1.00 0.46 N ATOM 855 CA LYS A 55 4.893 -12.331 0.643 1.00 0.52 C ATOM 856 C LYS A 55 5.308 -11.440 -0.514 1.00 0.41 C ATOM 857 O LYS A 55 6.369 -11.628 -1.095 1.00 0.42 O ATOM 858 CB LYS A 55 4.199 -13.585 0.110 1.00 0.67 C ATOM 859 CG LYS A 55 4.299 -14.783 1.039 1.00 0.95 C ATOM 860 CD LYS A 55 3.723 -14.481 2.408 1.00 1.14 C ATOM 861 CE LYS A 55 3.715 -15.705 3.305 1.00 1.37 C ATOM 862 NZ LYS A 55 3.005 -16.855 2.685 1.00 1.49 N ATOM 0 H LYS A 55 3.066 -11.924 1.589 1.00 0.46 H new ATOM 0 HA LYS A 55 5.782 -12.639 1.193 1.00 0.52 H new ATOM 0 HB2 LYS A 55 3.147 -13.360 -0.065 1.00 0.67 H new ATOM 0 HB3 LYS A 55 4.634 -13.848 -0.854 1.00 0.67 H new ATOM 0 HG2 LYS A 55 3.770 -15.629 0.600 1.00 0.95 H new ATOM 0 HG3 LYS A 55 5.343 -15.078 1.141 1.00 0.95 H new ATOM 0 HD2 LYS A 55 4.306 -13.690 2.880 1.00 1.14 H new ATOM 0 HD3 LYS A 55 2.706 -14.105 2.298 1.00 1.14 H new ATOM 0 HE2 LYS A 55 4.742 -15.994 3.531 1.00 1.37 H new ATOM 0 HE3 LYS A 55 3.238 -15.455 4.253 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 2.757 -17.547 3.420 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 2.138 -16.518 2.220 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 3.623 -17.305 1.980 1.00 1.49 H new ATOM 876 N SER A 56 4.468 -10.469 -0.846 1.00 0.36 N ATOM 877 CA SER A 56 4.821 -9.473 -1.844 1.00 0.34 C ATOM 878 C SER A 56 6.004 -8.648 -1.337 1.00 0.28 C ATOM 879 O SER A 56 6.867 -8.246 -2.110 1.00 0.28 O ATOM 880 CB SER A 56 3.620 -8.569 -2.155 1.00 0.39 C ATOM 881 OG SER A 56 3.869 -7.735 -3.275 1.00 1.26 O ATOM 0 H SER A 56 3.540 -10.351 -0.439 1.00 0.36 H new ATOM 0 HA SER A 56 5.106 -9.975 -2.768 1.00 0.34 H new ATOM 0 HB2 SER A 56 2.741 -9.184 -2.347 1.00 0.39 H new ATOM 0 HB3 SER A 56 3.393 -7.953 -1.285 1.00 0.39 H new ATOM 0 HG SER A 56 3.077 -7.716 -3.851 1.00 1.26 H new ATOM 887 N HIS A 57 6.050 -8.426 -0.027 1.00 0.29 N ATOM 888 CA HIS A 57 7.183 -7.757 0.600 1.00 0.30 C ATOM 889 C HIS A 57 8.399 -8.679 0.594 1.00 0.31 C ATOM 890 O HIS A 57 9.523 -8.226 0.414 1.00 0.34 O ATOM 891 CB HIS A 57 6.831 -7.338 2.035 1.00 0.35 C ATOM 892 CG HIS A 57 7.945 -6.649 2.780 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.327 -7.007 4.053 1.00 0.53 N ATOM 894 CD2 HIS A 57 8.736 -5.600 2.439 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.298 -6.213 4.463 1.00 0.51 C ATOM 896 NE2 HIS A 57 9.565 -5.346 3.505 1.00 0.39 N ATOM 0 H HIS A 57 5.313 -8.701 0.622 1.00 0.29 H new ATOM 0 HA HIS A 57 7.421 -6.858 0.031 1.00 0.30 H new ATOM 0 HB2 HIS A 57 5.968 -6.673 2.004 1.00 0.35 H new ATOM 0 HB3 HIS A 57 6.531 -8.224 2.595 1.00 0.35 H new ATOM 0 HD2 HIS A 57 8.717 -5.063 1.502 1.00 0.34 H new ATOM 0 HE1 HIS A 57 9.792 -6.264 5.422 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.270 -4.610 3.548 1.00 0.39 H new ATOM 905 N GLN A 58 8.160 -9.978 0.776 1.00 0.32 N ATOM 906 CA GLN A 58 9.233 -10.974 0.729 1.00 0.37 C ATOM 907 C GLN A 58 9.754 -11.124 -0.698 1.00 0.33 C ATOM 908 O GLN A 58 10.916 -11.466 -0.925 1.00 0.37 O ATOM 909 CB GLN A 58 8.723 -12.326 1.242 1.00 0.46 C ATOM 910 CG GLN A 58 8.096 -12.258 2.626 1.00 1.24 C ATOM 911 CD GLN A 58 9.097 -11.950 3.723 1.00 1.77 C ATOM 912 OE1 GLN A 58 10.117 -11.297 3.498 1.00 2.36 O ATOM 913 NE2 GLN A 58 8.803 -12.410 4.927 1.00 2.26 N ATOM 0 H GLN A 58 7.234 -10.366 0.957 1.00 0.32 H new ATOM 0 HA GLN A 58 10.048 -10.636 1.369 1.00 0.37 H new ATOM 0 HB2 GLN A 58 7.988 -12.718 0.539 1.00 0.46 H new ATOM 0 HB3 GLN A 58 9.552 -13.033 1.263 1.00 0.46 H new ATOM 0 HG2 GLN A 58 7.319 -11.494 2.628 1.00 1.24 H new ATOM 0 HG3 GLN A 58 7.609 -13.209 2.844 1.00 1.24 H new ATOM 0 HE21 GLN A 58 7.948 -12.947 5.073 1.00 2.26 H new ATOM 0 HE22 GLN A 58 9.431 -12.228 5.710 1.00 2.26 H new ATOM 922 N ASN A 59 8.877 -10.844 -1.647 1.00 0.28 N ATOM 923 CA ASN A 59 9.187 -10.931 -3.064 1.00 0.28 C ATOM 924 C ASN A 59 9.919 -9.674 -3.512 1.00 0.29 C ATOM 925 O ASN A 59 11.039 -9.729 -4.012 1.00 0.34 O ATOM 926 CB ASN A 59 7.878 -11.083 -3.852 1.00 0.30 C ATOM 927 CG ASN A 59 8.066 -11.097 -5.357 1.00 0.38 C ATOM 928 OD1 ASN A 59 9.078 -11.569 -5.872 1.00 0.64 O ATOM 929 ND2 ASN A 59 7.086 -10.568 -6.073 1.00 0.83 N ATOM 0 H ASN A 59 7.921 -10.547 -1.454 1.00 0.28 H new ATOM 0 HA ASN A 59 9.828 -11.793 -3.248 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.388 -12.008 -3.548 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.208 -10.265 -3.587 1.00 0.30 H new ATOM 0 HD21 ASN A 59 7.154 -10.542 -7.090 1.00 0.83 H new ATOM 0 HD22 ASN A 59 6.263 -10.187 -5.607 1.00 0.83 H new ATOM 936 N LEU A 60 9.289 -8.539 -3.255 1.00 0.27 N ATOM 937 CA LEU A 60 9.773 -7.242 -3.702 1.00 0.28 C ATOM 938 C LEU A 60 11.104 -6.891 -3.040 1.00 0.34 C ATOM 939 O LEU A 60 11.890 -6.117 -3.587 1.00 0.43 O ATOM 940 CB LEU A 60 8.712 -6.180 -3.393 1.00 0.25 C ATOM 941 CG LEU A 60 9.057 -4.753 -3.802 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.365 -4.674 -5.285 1.00 0.29 C ATOM 943 CD2 LEU A 60 7.921 -3.809 -3.437 1.00 0.33 C ATOM 0 H LEU A 60 8.419 -8.491 -2.725 1.00 0.27 H new ATOM 0 HA LEU A 60 9.948 -7.278 -4.777 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.785 -6.465 -3.890 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.515 -6.192 -2.321 1.00 0.25 H new ATOM 0 HG LEU A 60 9.950 -4.447 -3.257 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.608 -3.646 -5.552 1.00 0.29 H new ATOM 0 HD12 LEU A 60 10.213 -5.319 -5.515 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.495 -5.001 -5.855 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.182 -2.794 -3.735 1.00 0.33 H new ATOM 0 HD22 LEU A 60 7.012 -4.117 -3.954 1.00 0.33 H new ATOM 0 HD23 LEU A 60 7.754 -3.839 -2.360 1.00 0.33 H new ATOM 955 N CYS A 61 11.353 -7.493 -1.878 1.00 0.36 N ATOM 956 CA CYS A 61 12.536 -7.199 -1.070 1.00 0.48 C ATOM 957 C CYS A 61 13.835 -7.449 -1.839 1.00 0.58 C ATOM 958 O CYS A 61 14.886 -6.922 -1.471 1.00 0.92 O ATOM 959 CB CYS A 61 12.530 -8.035 0.213 1.00 0.54 C ATOM 960 SG CYS A 61 13.869 -7.628 1.359 1.00 1.20 S ATOM 0 H CYS A 61 10.740 -8.199 -1.470 1.00 0.36 H new ATOM 0 HA CYS A 61 12.494 -6.140 -0.817 1.00 0.48 H new ATOM 0 HB2 CYS A 61 11.576 -7.896 0.721 1.00 0.54 H new ATOM 0 HB3 CYS A 61 12.600 -9.090 -0.052 1.00 0.54 H new ATOM 0 HG CYS A 61 14.897 -7.198 0.690 1.00 1.20 H new ATOM 966 N THR A 62 13.781 -8.271 -2.884 1.00 0.54 N ATOM 967 CA THR A 62 14.961 -8.557 -3.687 1.00 0.76 C ATOM 968 C THR A 62 14.541 -8.911 -5.111 1.00 0.60 C ATOM 969 O THR A 62 14.971 -9.910 -5.690 1.00 0.82 O ATOM 970 CB THR A 62 15.806 -9.705 -3.080 1.00 1.11 C ATOM 971 OG1 THR A 62 15.984 -9.494 -1.671 1.00 1.27 O ATOM 972 CG2 THR A 62 17.179 -9.789 -3.739 1.00 1.45 C ATOM 0 H THR A 62 12.934 -8.748 -3.192 1.00 0.54 H new ATOM 0 HA THR A 62 15.584 -7.662 -3.699 1.00 0.76 H new ATOM 0 HB THR A 62 15.270 -10.638 -3.256 1.00 1.11 H new ATOM 0 HG1 THR A 62 16.518 -10.225 -1.296 1.00 1.27 H new ATOM 0 HG21 THR A 62 17.748 -10.604 -3.292 1.00 1.45 H new ATOM 0 HG22 THR A 62 17.059 -9.973 -4.807 1.00 1.45 H new ATOM 0 HG23 THR A 62 17.712 -8.850 -3.590 1.00 1.45 H new ATOM 980 N LYS A 63 13.667 -8.085 -5.660 1.00 0.50 N ATOM 981 CA LYS A 63 13.290 -8.189 -7.062 1.00 0.43 C ATOM 982 C LYS A 63 13.452 -6.845 -7.760 1.00 0.39 C ATOM 983 O LYS A 63 13.654 -6.785 -8.972 1.00 0.39 O ATOM 984 CB LYS A 63 11.852 -8.673 -7.215 1.00 0.45 C ATOM 985 CG LYS A 63 11.642 -10.140 -6.875 1.00 0.54 C ATOM 986 CD LYS A 63 12.376 -11.059 -7.837 1.00 0.68 C ATOM 987 CE LYS A 63 12.068 -12.518 -7.546 1.00 0.85 C ATOM 988 NZ LYS A 63 10.621 -12.824 -7.725 1.00 1.76 N ATOM 0 H LYS A 63 13.202 -7.331 -5.154 1.00 0.50 H new ATOM 0 HA LYS A 63 13.953 -8.919 -7.526 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.208 -8.069 -6.575 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.531 -8.502 -8.243 1.00 0.45 H new ATOM 0 HG2 LYS A 63 11.987 -10.329 -5.859 1.00 0.54 H new ATOM 0 HG3 LYS A 63 10.576 -10.368 -6.898 1.00 0.54 H new ATOM 0 HD2 LYS A 63 12.089 -10.821 -8.861 1.00 0.68 H new ATOM 0 HD3 LYS A 63 13.450 -10.889 -7.759 1.00 0.68 H new ATOM 0 HE2 LYS A 63 12.658 -13.153 -8.207 1.00 0.85 H new ATOM 0 HE3 LYS A 63 12.366 -12.756 -6.525 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 10.505 -13.832 -7.955 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 10.109 -12.609 -6.846 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 10.237 -12.246 -8.499 1.00 1.76 H new ATOM 1002 N GLY A 64 13.336 -5.769 -6.989 1.00 0.40 N ATOM 1003 CA GLY A 64 13.485 -4.438 -7.546 1.00 0.42 C ATOM 1004 C GLY A 64 12.169 -3.858 -8.023 1.00 0.37 C ATOM 1005 O GLY A 64 12.033 -2.645 -8.160 1.00 0.41 O ATOM 0 H GLY A 64 13.141 -5.795 -5.988 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.917 -3.779 -6.793 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.186 -4.473 -8.380 1.00 0.42 H new ATOM 1009 N GLN A 65 11.186 -4.724 -8.237 1.00 0.34 N ATOM 1010 CA GLN A 65 9.893 -4.313 -8.773 1.00 0.33 C ATOM 1011 C GLN A 65 8.914 -5.481 -8.695 1.00 0.34 C ATOM 1012 O GLN A 65 9.304 -6.636 -8.861 1.00 0.43 O ATOM 1013 CB GLN A 65 10.027 -3.840 -10.225 1.00 0.41 C ATOM 1014 CG GLN A 65 8.852 -2.998 -10.697 1.00 0.49 C ATOM 1015 CD GLN A 65 8.952 -2.609 -12.158 1.00 0.81 C ATOM 1016 OE1 GLN A 65 10.046 -2.496 -12.712 1.00 1.37 O ATOM 1017 NE2 GLN A 65 7.811 -2.393 -12.792 1.00 1.32 N ATOM 0 H GLN A 65 11.261 -5.723 -8.046 1.00 0.34 H new ATOM 0 HA GLN A 65 9.519 -3.481 -8.177 1.00 0.33 H new ATOM 0 HB2 GLN A 65 10.944 -3.260 -10.327 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.126 -4.709 -10.875 1.00 0.41 H new ATOM 0 HG2 GLN A 65 7.927 -3.552 -10.537 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.792 -2.095 -10.089 1.00 0.49 H new ATOM 0 HE21 GLN A 65 6.925 -2.497 -12.297 1.00 1.32 H new ATOM 0 HE22 GLN A 65 7.817 -2.122 -13.775 1.00 1.32 H new ATOM 1026 N VAL A 66 7.650 -5.179 -8.442 1.00 0.32 N ATOM 1027 CA VAL A 66 6.630 -6.205 -8.275 1.00 0.35 C ATOM 1028 C VAL A 66 5.290 -5.711 -8.817 1.00 0.33 C ATOM 1029 O VAL A 66 5.037 -4.507 -8.845 1.00 0.32 O ATOM 1030 CB VAL A 66 6.482 -6.598 -6.780 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.038 -5.415 -5.941 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.508 -7.740 -6.600 1.00 0.44 C ATOM 0 H VAL A 66 7.303 -4.224 -8.347 1.00 0.32 H new ATOM 0 HA VAL A 66 6.940 -7.087 -8.836 1.00 0.35 H new ATOM 0 HB VAL A 66 7.466 -6.922 -6.440 1.00 0.36 H new ATOM 0 HG11 VAL A 66 5.944 -5.723 -4.900 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.776 -4.617 -6.018 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.075 -5.054 -6.302 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.430 -7.988 -5.541 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.529 -7.446 -6.977 1.00 0.44 H new ATOM 0 HG23 VAL A 66 5.862 -8.611 -7.151 1.00 0.44 H new ATOM 1042 N VAL A 67 4.443 -6.627 -9.267 1.00 0.39 N ATOM 1043 CA VAL A 67 3.114 -6.261 -9.736 1.00 0.45 C ATOM 1044 C VAL A 67 2.060 -7.136 -9.065 1.00 0.49 C ATOM 1045 O VAL A 67 1.790 -8.256 -9.500 1.00 0.92 O ATOM 1046 CB VAL A 67 2.983 -6.382 -11.269 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.628 -5.867 -11.729 1.00 0.91 C ATOM 1048 CG2 VAL A 67 4.103 -5.629 -11.971 1.00 1.16 C ATOM 0 H VAL A 67 4.651 -7.624 -9.317 1.00 0.39 H new ATOM 0 HA VAL A 67 2.956 -5.216 -9.468 1.00 0.45 H new ATOM 0 HB VAL A 67 3.064 -7.436 -11.534 1.00 0.58 H new ATOM 0 HG11 VAL A 67 1.552 -5.960 -12.812 1.00 0.91 H new ATOM 0 HG12 VAL A 67 0.838 -6.452 -11.259 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.522 -4.820 -11.446 1.00 0.91 H new ATOM 0 HG21 VAL A 67 3.988 -5.730 -13.050 1.00 1.16 H new ATOM 0 HG22 VAL A 67 4.059 -4.575 -11.698 1.00 1.16 H new ATOM 0 HG23 VAL A 67 5.065 -6.043 -11.668 1.00 1.16 H new ATOM 1058 N SER A 68 1.511 -6.641 -7.967 1.00 0.52 N ATOM 1059 CA SER A 68 0.452 -7.335 -7.252 1.00 0.54 C ATOM 1060 C SER A 68 -0.890 -7.161 -7.960 1.00 0.53 C ATOM 1061 O SER A 68 -0.979 -6.480 -8.983 1.00 0.94 O ATOM 1062 CB SER A 68 0.378 -6.818 -5.814 1.00 0.58 C ATOM 1063 OG SER A 68 1.621 -7.001 -5.150 1.00 1.39 O ATOM 0 H SER A 68 1.785 -5.752 -7.548 1.00 0.52 H new ATOM 0 HA SER A 68 0.680 -8.401 -7.234 1.00 0.54 H new ATOM 0 HB2 SER A 68 0.113 -5.761 -5.816 1.00 0.58 H new ATOM 0 HB3 SER A 68 -0.410 -7.343 -5.274 1.00 0.58 H new ATOM 0 HG SER A 68 1.602 -6.537 -4.287 1.00 1.39 H new ATOM 1069 N GLY A 69 -1.928 -7.773 -7.410 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.249 -7.638 -7.937 1.00 0.43 C ATOM 1071 C GLY A 69 -4.155 -7.141 -6.851 1.00 0.38 C ATOM 1072 O GLY A 69 -3.695 -6.914 -5.731 1.00 0.42 O ATOM 0 H GLY A 69 -1.863 -8.373 -6.588 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.251 -6.943 -8.777 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -3.604 -8.597 -8.315 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.417 -6.949 -7.165 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.360 -6.436 -6.205 1.00 0.43 C ATOM 1078 C GLN A 70 -6.385 -7.237 -4.905 1.00 0.35 C ATOM 1079 O GLN A 70 -6.638 -8.443 -4.875 1.00 0.36 O ATOM 1080 CB GLN A 70 -7.729 -6.311 -6.846 1.00 0.62 C ATOM 1081 CG GLN A 70 -8.317 -7.604 -7.389 1.00 0.78 C ATOM 1082 CD GLN A 70 -9.650 -7.395 -8.094 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -9.994 -8.122 -9.025 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -10.422 -6.413 -7.646 1.00 1.31 N ATOM 0 H GLN A 70 -5.813 -7.143 -8.085 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.031 -5.440 -5.908 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -8.419 -5.899 -6.110 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -7.665 -5.591 -7.661 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -7.610 -8.055 -8.085 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -8.451 -8.309 -6.569 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -10.106 -5.829 -6.872 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -11.331 -6.243 -8.076 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.065 -6.517 -3.845 1.00 0.35 N ATOM 1094 CA TYR A 71 -5.987 -7.032 -2.492 1.00 0.36 C ATOM 1095 C TYR A 71 -7.053 -6.363 -1.639 1.00 0.32 C ATOM 1096 O TYR A 71 -7.729 -5.446 -2.103 1.00 0.29 O ATOM 1097 CB TYR A 71 -4.594 -6.735 -1.918 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.085 -5.348 -2.256 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -4.562 -4.214 -1.600 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.148 -5.176 -3.260 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.111 -2.950 -1.943 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.703 -3.923 -3.612 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.183 -2.813 -2.955 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.745 -1.560 -3.333 1.00 0.68 O ATOM 0 H TYR A 71 -5.845 -5.523 -3.906 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.153 -8.109 -2.494 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -4.624 -6.848 -0.834 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -3.888 -7.475 -2.296 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -5.294 -4.323 -0.813 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.759 -6.041 -3.776 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -4.482 -2.079 -1.423 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.977 -3.810 -4.404 1.00 0.62 H new ATOM 0 HH TYR A 71 -1.765 -1.545 -3.342 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.192 -6.792 -0.398 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.175 -6.185 0.491 1.00 0.33 C ATOM 1116 C ARG A 72 -7.506 -5.236 1.467 1.00 0.27 C ATOM 1117 O ARG A 72 -6.943 -5.679 2.465 1.00 0.28 O ATOM 1118 CB ARG A 72 -8.920 -7.254 1.286 1.00 0.43 C ATOM 1119 CG ARG A 72 -9.962 -8.012 0.494 1.00 0.65 C ATOM 1120 CD ARG A 72 -10.639 -9.053 1.369 1.00 1.06 C ATOM 1121 NE ARG A 72 -11.855 -9.596 0.757 1.00 1.10 N ATOM 1122 CZ ARG A 72 -12.133 -10.896 0.669 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -11.220 -11.804 0.995 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -13.312 -11.288 0.212 1.00 1.52 N ATOM 0 H ARG A 72 -6.647 -7.548 0.016 1.00 0.36 H new ATOM 0 HA ARG A 72 -8.879 -5.633 -0.132 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -8.195 -7.965 1.683 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -9.404 -6.782 2.141 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -10.706 -7.318 0.102 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -9.495 -8.497 -0.363 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -9.941 -9.867 1.566 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -10.889 -8.607 2.332 1.00 1.06 H new ATOM 0 HE ARG A 72 -12.532 -8.936 0.374 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -10.298 -11.508 1.316 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -11.441 -12.797 0.925 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -14.005 -10.595 -0.072 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -13.527 -12.283 0.144 1.00 1.52 H new ATOM 1138 N MET A 73 -7.595 -3.933 1.227 1.00 0.26 N ATOM 1139 CA MET A 73 -6.981 -2.993 2.153 1.00 0.26 C ATOM 1140 C MET A 73 -8.031 -2.462 3.117 1.00 0.23 C ATOM 1141 O MET A 73 -9.138 -2.113 2.706 1.00 0.24 O ATOM 1142 CB MET A 73 -6.276 -1.842 1.432 1.00 0.30 C ATOM 1143 CG MET A 73 -5.688 -0.822 2.396 1.00 0.35 C ATOM 1144 SD MET A 73 -4.472 0.259 1.625 1.00 0.77 S ATOM 1145 CE MET A 73 -4.030 1.296 3.017 1.00 0.60 C ATOM 0 H MET A 73 -8.070 -3.515 0.427 1.00 0.26 H new ATOM 0 HA MET A 73 -6.214 -3.529 2.711 1.00 0.26 H new ATOM 0 HB2 MET A 73 -5.481 -2.244 0.804 1.00 0.30 H new ATOM 0 HB3 MET A 73 -6.984 -1.345 0.770 1.00 0.30 H new ATOM 0 HG2 MET A 73 -6.494 -0.216 2.810 1.00 0.35 H new ATOM 0 HG3 MET A 73 -5.222 -1.346 3.231 1.00 0.35 H new ATOM 0 HE1 MET A 73 -4.106 2.344 2.728 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.708 1.098 3.848 1.00 0.60 H new ATOM 0 HE3 MET A 73 -3.007 1.077 3.323 1.00 0.60 H new ATOM 1155 N LEU A 74 -7.687 -2.436 4.399 1.00 0.22 N ATOM 1156 CA LEU A 74 -8.611 -1.989 5.424 1.00 0.25 C ATOM 1157 C LEU A 74 -8.829 -0.491 5.320 1.00 0.33 C ATOM 1158 O LEU A 74 -7.879 0.291 5.300 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.089 -2.344 6.817 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.081 -2.159 7.963 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -9.695 -3.495 8.337 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.399 -1.531 9.166 1.00 0.42 C ATOM 0 H LEU A 74 -6.773 -2.720 4.750 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.562 -2.498 5.269 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -7.762 -3.384 6.808 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.209 -1.735 7.021 1.00 0.24 H new ATOM 0 HG LEU A 74 -9.874 -1.487 7.634 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.401 -3.354 9.155 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.217 -3.910 7.474 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -8.909 -4.182 8.650 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.123 -1.408 9.971 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.588 -2.177 9.503 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -7.996 -0.557 8.888 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.087 -0.116 5.240 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.475 1.278 5.196 1.00 0.26 C ATOM 1176 C ALA A 75 -10.420 1.885 6.586 1.00 0.31 C ATOM 1177 O ALA A 75 -9.882 1.288 7.515 1.00 0.60 O ATOM 1178 CB ALA A 75 -11.866 1.412 4.592 1.00 0.29 C ATOM 0 H ALA A 75 -10.870 -0.768 5.204 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.774 1.824 4.564 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.150 2.464 4.563 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.863 1.008 3.579 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.582 0.860 5.201 1.00 0.29 H new ATOM 1184 N LYS A 76 -11.032 3.035 6.739 1.00 0.28 N ATOM 1185 CA LYS A 76 -10.800 3.872 7.892 1.00 0.30 C ATOM 1186 C LYS A 76 -11.462 3.298 9.138 1.00 0.33 C ATOM 1187 O LYS A 76 -10.934 3.390 10.245 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.355 5.249 7.598 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.007 6.274 8.639 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.769 7.558 8.391 1.00 0.47 C ATOM 1191 CE LYS A 76 -13.269 7.296 8.421 1.00 0.53 C ATOM 1192 NZ LYS A 76 -14.061 8.530 8.190 1.00 1.23 N ATOM 0 H LYS A 76 -11.702 3.416 6.071 1.00 0.28 H new ATOM 0 HA LYS A 76 -9.729 3.924 8.087 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.979 5.584 6.631 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.440 5.184 7.513 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.244 5.889 9.631 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -9.935 6.471 8.621 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.507 8.297 9.148 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -11.485 7.977 7.425 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -13.522 6.557 7.661 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.542 6.867 9.385 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -15.075 8.302 8.219 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -13.841 9.227 8.930 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -13.822 8.927 7.259 1.00 1.23 H new ATOM 1206 N HIS A 77 -12.623 2.704 8.940 1.00 0.44 N ATOM 1207 CA HIS A 77 -13.419 2.167 10.039 1.00 0.62 C ATOM 1208 C HIS A 77 -13.395 0.648 10.033 1.00 0.69 C ATOM 1209 O HIS A 77 -14.270 0.001 10.603 1.00 0.89 O ATOM 1210 CB HIS A 77 -14.866 2.677 9.955 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.389 2.821 8.554 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -15.931 1.784 7.826 1.00 0.74 N ATOM 1213 CD2 HIS A 77 -15.434 3.904 7.744 1.00 0.67 C ATOM 1214 CE1 HIS A 77 -16.282 2.229 6.631 1.00 0.70 C ATOM 1215 NE2 HIS A 77 -15.993 3.508 6.562 1.00 0.69 N ATOM 0 H HIS A 77 -13.044 2.578 8.019 1.00 0.44 H new ATOM 0 HA HIS A 77 -12.980 2.513 10.975 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -15.513 1.992 10.503 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -14.928 3.644 10.455 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -15.091 4.899 7.987 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -16.731 1.640 5.845 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -16.159 4.110 5.755 1.00 0.69 H new ATOM 1224 N GLY A 78 -12.377 0.083 9.408 1.00 0.58 N ATOM 1225 CA GLY A 78 -12.280 -1.360 9.318 1.00 0.72 C ATOM 1226 C GLY A 78 -12.976 -1.903 8.086 1.00 0.76 C ATOM 1227 O GLY A 78 -13.336 -3.077 8.027 1.00 1.31 O ATOM 0 H GLY A 78 -11.616 0.595 8.961 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -11.230 -1.652 9.299 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -12.719 -1.809 10.209 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.178 -1.030 7.108 1.00 0.37 N ATOM 1232 CA GLY A 79 -13.786 -1.436 5.857 1.00 0.37 C ATOM 1233 C GLY A 79 -12.799 -2.177 4.983 1.00 0.28 C ATOM 1234 O GLY A 79 -11.650 -2.354 5.371 1.00 0.29 O ATOM 0 H GLY A 79 -12.930 -0.042 7.160 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -14.647 -2.073 6.058 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.156 -0.558 5.328 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.224 -2.616 3.812 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.322 -3.304 2.899 1.00 0.21 C ATOM 1240 C TYR A 80 -12.538 -2.852 1.473 1.00 0.22 C ATOM 1241 O TYR A 80 -13.634 -2.948 0.935 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.477 -4.823 3.000 1.00 0.26 C ATOM 1243 CG TYR A 80 -11.996 -5.366 4.317 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.639 -5.461 4.578 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -12.889 -5.745 5.309 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.180 -5.923 5.788 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.439 -6.202 6.530 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.085 -6.290 6.764 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.636 -6.736 7.981 1.00 0.38 O ATOM 0 H TYR A 80 -14.179 -2.511 3.470 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.305 -3.044 3.194 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.525 -5.088 2.863 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -11.921 -5.296 2.191 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -9.930 -5.167 3.818 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -13.951 -5.681 5.123 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.119 -5.999 5.974 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.143 -6.489 7.297 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.402 -6.952 8.553 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.483 -2.343 0.876 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.517 -1.936 -0.513 1.00 0.28 C ATOM 1261 C VAL A 81 -10.470 -2.706 -1.298 1.00 0.26 C ATOM 1262 O VAL A 81 -9.406 -3.037 -0.769 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.306 -0.412 -0.672 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.598 0.335 -0.384 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.201 0.081 0.249 1.00 0.30 C ATOM 0 H VAL A 81 -10.583 -2.200 1.335 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.506 -2.166 -0.909 1.00 0.28 H new ATOM 0 HB VAL A 81 -11.008 -0.217 -1.702 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.433 1.406 -0.500 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.370 0.009 -1.081 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -12.919 0.126 0.636 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -10.071 1.155 0.119 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.469 -0.129 1.284 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.269 -0.429 0.005 1.00 0.30 H new ATOM 1275 N TRP A 82 -10.796 -3.032 -2.537 1.00 0.28 N ATOM 1276 CA TRP A 82 -9.897 -3.805 -3.379 1.00 0.29 C ATOM 1277 C TRP A 82 -9.019 -2.905 -4.225 1.00 0.28 C ATOM 1278 O TRP A 82 -9.508 -2.142 -5.058 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.684 -4.756 -4.267 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.241 -5.922 -3.522 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.295 -5.924 -2.652 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -10.761 -7.265 -3.578 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -12.496 -7.191 -2.164 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -11.569 -8.032 -2.720 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -9.724 -7.893 -4.273 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -11.372 -9.398 -2.542 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.531 -9.248 -4.092 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.352 -9.987 -3.234 1.00 0.52 C ATOM 0 H TRP A 82 -11.676 -2.774 -2.983 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.249 -4.387 -2.723 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.500 -4.211 -4.740 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -10.037 -5.118 -5.066 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -12.883 -5.057 -2.388 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -13.218 -7.462 -1.496 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -9.086 -7.330 -4.938 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.003 -9.972 -1.880 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -8.732 -9.746 -4.622 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.176 -11.046 -3.116 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.720 -3.013 -4.017 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.764 -2.162 -4.706 1.00 0.28 C ATOM 1301 C LEU A 83 -5.651 -2.988 -5.317 1.00 0.29 C ATOM 1302 O LEU A 83 -5.425 -4.110 -4.906 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.164 -1.136 -3.737 1.00 0.28 C ATOM 1304 CG LEU A 83 -7.142 -0.196 -3.039 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.570 -0.778 -1.710 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.508 1.171 -2.847 1.00 0.40 C ATOM 0 H LEU A 83 -7.300 -3.684 -3.374 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.294 -1.639 -5.502 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.607 -1.677 -2.972 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.444 -0.530 -4.287 1.00 0.28 H new ATOM 0 HG LEU A 83 -8.027 -0.081 -3.664 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.268 -0.097 -1.222 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.056 -1.740 -1.874 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -6.695 -0.917 -1.075 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -7.215 1.833 -2.348 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.610 1.073 -2.237 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -6.243 1.589 -3.818 1.00 0.40 H new ATOM 1318 N GLU A 84 -4.963 -2.429 -6.298 1.00 0.32 N ATOM 1319 CA GLU A 84 -3.849 -3.113 -6.938 1.00 0.34 C ATOM 1320 C GLU A 84 -2.551 -2.345 -6.689 1.00 0.35 C ATOM 1321 O GLU A 84 -2.557 -1.118 -6.662 1.00 0.39 O ATOM 1322 CB GLU A 84 -4.119 -3.233 -8.440 1.00 0.41 C ATOM 1323 CG GLU A 84 -3.810 -4.607 -8.997 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.163 -4.743 -10.465 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -3.363 -4.306 -11.319 1.00 1.23 O ATOM 1326 OE2 GLU A 84 -5.236 -5.301 -10.769 1.00 0.88 O ATOM 0 H GLU A 84 -5.156 -1.499 -6.671 1.00 0.32 H new ATOM 0 HA GLU A 84 -3.745 -4.112 -6.515 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -5.165 -2.997 -8.634 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -3.521 -2.491 -8.970 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -2.749 -4.817 -8.863 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -4.358 -5.356 -8.426 1.00 0.59 H new ATOM 1333 N THR A 85 -1.447 -3.059 -6.497 1.00 0.36 N ATOM 1334 CA THR A 85 -0.163 -2.418 -6.224 1.00 0.37 C ATOM 1335 C THR A 85 0.839 -2.667 -7.325 1.00 0.32 C ATOM 1336 O THR A 85 1.245 -3.802 -7.588 1.00 0.43 O ATOM 1337 CB THR A 85 0.456 -2.876 -4.877 1.00 0.52 C ATOM 1338 OG1 THR A 85 -0.272 -2.331 -3.776 1.00 0.68 O ATOM 1339 CG2 THR A 85 1.915 -2.454 -4.754 1.00 0.60 C ATOM 0 H THR A 85 -1.414 -4.078 -6.525 1.00 0.36 H new ATOM 0 HA THR A 85 -0.381 -1.352 -6.167 1.00 0.37 H new ATOM 0 HB THR A 85 0.400 -3.964 -4.858 1.00 0.52 H new ATOM 0 HG1 THR A 85 -0.882 -3.010 -3.419 1.00 0.68 H new ATOM 0 HG21 THR A 85 2.312 -2.793 -3.797 1.00 0.60 H new ATOM 0 HG22 THR A 85 2.492 -2.899 -5.565 1.00 0.60 H new ATOM 0 HG23 THR A 85 1.986 -1.368 -4.812 1.00 0.60 H new ATOM 1347 N GLN A 86 1.221 -1.590 -7.969 1.00 0.29 N ATOM 1348 CA GLN A 86 2.397 -1.591 -8.798 1.00 0.35 C ATOM 1349 C GLN A 86 3.578 -1.248 -7.898 1.00 0.28 C ATOM 1350 O GLN A 86 3.785 -0.086 -7.543 1.00 0.30 O ATOM 1351 CB GLN A 86 2.272 -0.585 -9.938 1.00 0.50 C ATOM 1352 CG GLN A 86 3.510 -0.539 -10.802 1.00 0.70 C ATOM 1353 CD GLN A 86 3.417 0.482 -11.919 1.00 1.06 C ATOM 1354 OE1 GLN A 86 2.924 0.186 -13.006 1.00 1.95 O ATOM 1355 NE2 GLN A 86 3.919 1.682 -11.670 1.00 1.15 N ATOM 0 H GLN A 86 0.729 -0.697 -7.933 1.00 0.29 H new ATOM 0 HA GLN A 86 2.534 -2.568 -9.261 1.00 0.35 H new ATOM 0 HB2 GLN A 86 1.411 -0.843 -10.555 1.00 0.50 H new ATOM 0 HB3 GLN A 86 2.083 0.406 -9.526 1.00 0.50 H new ATOM 0 HG2 GLN A 86 4.373 -0.308 -10.178 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.682 -1.525 -11.233 1.00 0.70 H new ATOM 0 HE21 GLN A 86 4.319 1.888 -10.755 1.00 1.15 H new ATOM 0 HE22 GLN A 86 3.905 2.401 -12.394 1.00 1.15 H new ATOM 1364 N GLY A 87 4.321 -2.266 -7.502 1.00 0.27 N ATOM 1365 CA GLY A 87 5.289 -2.105 -6.444 1.00 0.26 C ATOM 1366 C GLY A 87 6.707 -1.991 -6.944 1.00 0.24 C ATOM 1367 O GLY A 87 7.061 -2.517 -7.996 1.00 0.27 O ATOM 0 H GLY A 87 4.270 -3.205 -7.897 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.042 -1.214 -5.868 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.218 -2.954 -5.764 1.00 0.26 H new ATOM 1371 N THR A 88 7.509 -1.286 -6.181 1.00 0.23 N ATOM 1372 CA THR A 88 8.916 -1.090 -6.478 1.00 0.22 C ATOM 1373 C THR A 88 9.672 -0.846 -5.178 1.00 0.25 C ATOM 1374 O THR A 88 9.182 -0.132 -4.309 1.00 0.36 O ATOM 1375 CB THR A 88 9.132 0.110 -7.428 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.336 -0.052 -8.611 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.598 0.241 -7.815 1.00 0.24 C ATOM 0 H THR A 88 7.202 -0.825 -5.324 1.00 0.23 H new ATOM 0 HA THR A 88 9.289 -1.986 -6.974 1.00 0.22 H new ATOM 0 HB THR A 88 8.829 1.016 -6.904 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.477 0.713 -9.207 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.723 1.093 -8.484 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.199 0.392 -6.918 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.923 -0.668 -8.321 1.00 0.24 H new ATOM 1385 N VAL A 89 10.833 -1.456 -5.017 1.00 0.28 N ATOM 1386 CA VAL A 89 11.670 -1.151 -3.869 1.00 0.31 C ATOM 1387 C VAL A 89 12.804 -0.236 -4.278 1.00 0.30 C ATOM 1388 O VAL A 89 13.645 -0.584 -5.108 1.00 0.34 O ATOM 1389 CB VAL A 89 12.235 -2.413 -3.170 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.460 -2.076 -2.336 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.185 -3.040 -2.277 1.00 0.56 C ATOM 0 H VAL A 89 11.214 -2.155 -5.655 1.00 0.28 H new ATOM 0 HA VAL A 89 11.029 -0.651 -3.143 1.00 0.31 H new ATOM 0 HB VAL A 89 12.521 -3.119 -3.950 1.00 0.42 H new ATOM 0 HG11 VAL A 89 13.835 -2.981 -1.857 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.235 -1.659 -2.979 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.191 -1.347 -1.572 1.00 0.36 H new ATOM 0 HG21 VAL A 89 11.599 -3.925 -1.794 1.00 0.56 H new ATOM 0 HG22 VAL A 89 10.878 -2.322 -1.517 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.321 -3.325 -2.877 1.00 0.56 H new ATOM 1401 N ILE A 90 12.795 0.947 -3.711 1.00 0.27 N ATOM 1402 CA ILE A 90 13.870 1.872 -3.914 1.00 0.30 C ATOM 1403 C ILE A 90 14.957 1.562 -2.899 1.00 0.34 C ATOM 1404 O ILE A 90 14.787 1.752 -1.698 1.00 0.41 O ATOM 1405 CB ILE A 90 13.378 3.337 -3.832 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.474 4.305 -4.257 1.00 0.71 C ATOM 1407 CG2 ILE A 90 12.879 3.690 -2.447 1.00 0.73 C ATOM 1408 CD1 ILE A 90 13.956 5.699 -4.521 1.00 0.78 C ATOM 0 H ILE A 90 12.049 1.287 -3.104 1.00 0.27 H new ATOM 0 HA ILE A 90 14.280 1.759 -4.918 1.00 0.30 H new ATOM 0 HB ILE A 90 12.539 3.429 -4.522 1.00 0.32 H new ATOM 0 HG12 ILE A 90 15.236 4.347 -3.479 1.00 0.71 H new ATOM 0 HG13 ILE A 90 14.958 3.926 -5.157 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.543 4.727 -2.434 1.00 0.73 H new ATOM 0 HG22 ILE A 90 12.048 3.036 -2.182 1.00 0.73 H new ATOM 0 HG23 ILE A 90 13.686 3.561 -1.726 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.782 6.344 -4.820 1.00 0.78 H new ATOM 0 HD12 ILE A 90 13.214 5.666 -5.319 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.497 6.094 -3.615 1.00 0.78 H new ATOM 1420 N TYR A 91 16.031 0.966 -3.370 1.00 0.36 N ATOM 1421 CA TYR A 91 17.119 0.608 -2.491 1.00 0.42 C ATOM 1422 C TYR A 91 18.024 1.794 -2.248 1.00 0.48 C ATOM 1423 O TYR A 91 18.078 2.728 -3.051 1.00 0.58 O ATOM 1424 CB TYR A 91 17.954 -0.537 -3.042 1.00 0.51 C ATOM 1425 CG TYR A 91 17.182 -1.788 -3.390 1.00 0.43 C ATOM 1426 CD1 TYR A 91 16.959 -2.773 -2.438 1.00 0.55 C ATOM 1427 CD2 TYR A 91 16.697 -1.994 -4.675 1.00 0.45 C ATOM 1428 CE1 TYR A 91 16.273 -3.928 -2.756 1.00 0.76 C ATOM 1429 CE2 TYR A 91 16.005 -3.144 -5.001 1.00 0.61 C ATOM 1430 CZ TYR A 91 15.795 -4.109 -4.039 1.00 0.79 C ATOM 1431 OH TYR A 91 15.110 -5.260 -4.362 1.00 1.06 O ATOM 0 H TYR A 91 16.172 0.721 -4.350 1.00 0.36 H new ATOM 0 HA TYR A 91 16.663 0.285 -1.555 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.473 -0.190 -3.935 1.00 0.51 H new ATOM 0 HB3 TYR A 91 18.718 -0.794 -2.309 1.00 0.51 H new ATOM 0 HD1 TYR A 91 17.328 -2.634 -1.433 1.00 0.55 H new ATOM 0 HD2 TYR A 91 16.864 -1.242 -5.432 1.00 0.45 H new ATOM 0 HE1 TYR A 91 16.111 -4.687 -2.005 1.00 0.76 H new ATOM 0 HE2 TYR A 91 15.630 -3.287 -6.004 1.00 0.61 H new ATOM 0 HH TYR A 91 15.488 -5.648 -5.179 1.00 1.06 H new ATOM 1441 N ASN A 92 18.711 1.756 -1.124 1.00 0.57 N ATOM 1442 CA ASN A 92 19.688 2.775 -0.785 1.00 0.71 C ATOM 1443 C ASN A 92 20.809 2.774 -1.817 1.00 0.69 C ATOM 1444 O ASN A 92 21.213 1.716 -2.281 1.00 0.63 O ATOM 1445 CB ASN A 92 20.284 2.485 0.587 1.00 0.83 C ATOM 1446 CG ASN A 92 21.007 3.682 1.157 1.00 1.09 C ATOM 1447 OD1 ASN A 92 22.153 3.934 0.823 1.00 1.77 O ATOM 1448 ND2 ASN A 92 20.356 4.425 2.020 1.00 1.50 N ATOM 0 H ASN A 92 18.610 1.023 -0.422 1.00 0.57 H new ATOM 0 HA ASN A 92 19.194 3.747 -0.774 1.00 0.71 H new ATOM 0 HB2 ASN A 92 19.490 2.183 1.270 1.00 0.83 H new ATOM 0 HB3 ASN A 92 20.976 1.646 0.511 1.00 0.83 H new ATOM 0 HD21 ASN A 92 20.807 5.241 2.433 1.00 1.50 H new ATOM 0 HD22 ASN A 92 19.398 4.187 2.278 1.00 1.50 H new ATOM 1455 N PRO A 93 21.324 3.939 -2.207 1.00 0.84 N ATOM 1456 CA PRO A 93 22.431 3.997 -3.157 1.00 0.91 C ATOM 1457 C PRO A 93 23.778 3.613 -2.537 1.00 0.96 C ATOM 1458 O PRO A 93 24.581 2.930 -3.169 1.00 1.00 O ATOM 1459 CB PRO A 93 22.432 5.454 -3.611 1.00 1.13 C ATOM 1460 CG PRO A 93 21.816 6.215 -2.485 1.00 1.23 C ATOM 1461 CD PRO A 93 20.847 5.279 -1.812 1.00 1.00 C ATOM 0 HA PRO A 93 22.300 3.284 -3.971 1.00 0.91 H new ATOM 0 HB2 PRO A 93 23.445 5.802 -3.814 1.00 1.13 H new ATOM 0 HB3 PRO A 93 21.861 5.580 -4.531 1.00 1.13 H new ATOM 0 HG2 PRO A 93 22.578 6.554 -1.783 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.304 7.104 -2.853 1.00 1.23 H new ATOM 0 HD2 PRO A 93 20.856 5.404 -0.729 1.00 1.00 H new ATOM 0 HD3 PRO A 93 19.824 5.454 -2.145 1.00 1.00 H new ATOM 1469 N ARG A 94 24.035 4.065 -1.312 1.00 1.03 N ATOM 1470 CA ARG A 94 25.311 3.788 -0.647 1.00 1.13 C ATOM 1471 C ARG A 94 25.253 2.534 0.237 1.00 1.04 C ATOM 1472 O ARG A 94 26.250 1.832 0.389 1.00 1.16 O ATOM 1473 CB ARG A 94 25.778 5.009 0.158 1.00 1.37 C ATOM 1474 CG ARG A 94 24.769 5.519 1.171 1.00 1.93 C ATOM 1475 CD ARG A 94 25.242 6.808 1.819 1.00 2.43 C ATOM 1476 NE ARG A 94 24.271 7.326 2.780 1.00 3.09 N ATOM 1477 CZ ARG A 94 24.329 8.542 3.321 1.00 3.87 C ATOM 1478 NH1 ARG A 94 25.275 9.394 2.951 1.00 4.14 N ATOM 1479 NH2 ARG A 94 23.432 8.912 4.225 1.00 4.77 N ATOM 0 H ARG A 94 23.382 4.622 -0.760 1.00 1.03 H new ATOM 0 HA ARG A 94 26.043 3.585 -1.429 1.00 1.13 H new ATOM 0 HB2 ARG A 94 26.700 4.753 0.680 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.017 5.815 -0.535 1.00 1.37 H new ATOM 0 HG2 ARG A 94 23.810 5.687 0.680 1.00 1.93 H new ATOM 0 HG3 ARG A 94 24.606 4.762 1.938 1.00 1.93 H new ATOM 0 HD2 ARG A 94 26.193 6.633 2.323 1.00 2.43 H new ATOM 0 HD3 ARG A 94 25.423 7.556 1.048 1.00 2.43 H new ATOM 0 HE ARG A 94 23.499 6.718 3.054 1.00 3.09 H new ATOM 0 HH11 ARG A 94 25.962 9.120 2.249 1.00 4.14 H new ATOM 0 HH12 ARG A 94 25.315 10.324 3.368 1.00 4.14 H new ATOM 0 HH21 ARG A 94 22.696 8.265 4.507 1.00 4.77 H new ATOM 0 HH22 ARG A 94 23.478 9.844 4.638 1.00 4.77 H new ATOM 1493 N ASN A 95 24.090 2.250 0.812 1.00 0.99 N ATOM 1494 CA ASN A 95 23.925 1.105 1.714 1.00 1.00 C ATOM 1495 C ASN A 95 23.222 -0.046 1.008 1.00 0.85 C ATOM 1496 O ASN A 95 23.281 -1.191 1.454 1.00 0.92 O ATOM 1497 CB ASN A 95 23.129 1.506 2.961 1.00 1.15 C ATOM 1498 CG ASN A 95 23.879 2.477 3.847 1.00 1.58 C ATOM 1499 OD1 ASN A 95 23.801 3.690 3.665 1.00 2.23 O ATOM 1500 ND2 ASN A 95 24.595 1.950 4.821 1.00 1.99 N ATOM 0 H ASN A 95 23.241 2.797 0.672 1.00 0.99 H new ATOM 0 HA ASN A 95 24.919 0.778 2.017 1.00 1.00 H new ATOM 0 HB2 ASN A 95 22.184 1.956 2.655 1.00 1.15 H new ATOM 0 HB3 ASN A 95 22.885 0.612 3.534 1.00 1.15 H new ATOM 0 HD21 ASN A 95 25.112 2.555 5.459 1.00 1.99 H new ATOM 0 HD22 ASN A 95 24.632 0.937 4.936 1.00 1.99 H new ATOM 1507 N LEU A 96 22.557 0.284 -0.099 1.00 0.72 N ATOM 1508 CA LEU A 96 21.873 -0.693 -0.964 1.00 0.63 C ATOM 1509 C LEU A 96 20.792 -1.523 -0.256 1.00 0.64 C ATOM 1510 O LEU A 96 20.184 -2.400 -0.871 1.00 0.67 O ATOM 1511 CB LEU A 96 22.894 -1.621 -1.618 1.00 0.74 C ATOM 1512 CG LEU A 96 23.816 -0.985 -2.673 1.00 0.86 C ATOM 1513 CD1 LEU A 96 23.004 -0.378 -3.809 1.00 1.22 C ATOM 1514 CD2 LEU A 96 24.730 0.062 -2.055 1.00 1.76 C ATOM 0 H LEU A 96 22.474 1.246 -0.429 1.00 0.72 H new ATOM 0 HA LEU A 96 21.351 -0.103 -1.718 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.517 -2.051 -0.834 1.00 0.74 H new ATOM 0 HB3 LEU A 96 22.356 -2.446 -2.086 1.00 0.74 H new ATOM 0 HG LEU A 96 24.442 -1.779 -3.080 1.00 0.86 H new ATOM 0 HD11 LEU A 96 23.678 0.065 -4.542 1.00 1.22 H new ATOM 0 HD12 LEU A 96 22.409 -1.156 -4.287 1.00 1.22 H new ATOM 0 HD13 LEU A 96 22.342 0.392 -3.412 1.00 1.22 H new ATOM 0 HD21 LEU A 96 25.367 0.491 -2.828 1.00 1.76 H new ATOM 0 HD22 LEU A 96 24.127 0.850 -1.603 1.00 1.76 H new ATOM 0 HD23 LEU A 96 25.351 -0.403 -1.290 1.00 1.76 H new ATOM 1526 N GLN A 97 20.545 -1.250 1.016 1.00 0.71 N ATOM 1527 CA GLN A 97 19.458 -1.901 1.736 1.00 0.76 C ATOM 1528 C GLN A 97 18.137 -1.267 1.304 1.00 0.64 C ATOM 1529 O GLN A 97 18.154 -0.178 0.724 1.00 0.61 O ATOM 1530 CB GLN A 97 19.684 -1.790 3.256 1.00 0.94 C ATOM 1531 CG GLN A 97 19.924 -0.373 3.757 1.00 1.21 C ATOM 1532 CD GLN A 97 18.642 0.371 4.063 1.00 2.02 C ATOM 1533 OE1 GLN A 97 17.645 -0.223 4.469 1.00 2.29 O ATOM 1534 NE2 GLN A 97 18.665 1.677 3.864 1.00 2.81 N ATOM 0 H GLN A 97 21.081 -0.583 1.572 1.00 0.71 H new ATOM 0 HA GLN A 97 19.426 -2.964 1.497 1.00 0.76 H new ATOM 0 HB2 GLN A 97 18.816 -2.201 3.771 1.00 0.94 H new ATOM 0 HB3 GLN A 97 20.539 -2.408 3.529 1.00 0.94 H new ATOM 0 HG2 GLN A 97 20.539 -0.411 4.656 1.00 1.21 H new ATOM 0 HG3 GLN A 97 20.489 0.181 3.007 1.00 1.21 H new ATOM 0 HE21 GLN A 97 19.516 2.126 3.526 1.00 2.81 H new ATOM 0 HE22 GLN A 97 17.832 2.236 4.048 1.00 2.81 H new ATOM 1543 N PRO A 98 16.986 -1.925 1.542 1.00 0.62 N ATOM 1544 CA PRO A 98 15.692 -1.384 1.134 1.00 0.55 C ATOM 1545 C PRO A 98 15.441 -0.020 1.752 1.00 0.55 C ATOM 1546 O PRO A 98 15.104 0.097 2.929 1.00 0.62 O ATOM 1547 CB PRO A 98 14.666 -2.414 1.626 1.00 0.60 C ATOM 1548 CG PRO A 98 15.392 -3.256 2.618 1.00 0.62 C ATOM 1549 CD PRO A 98 16.847 -3.222 2.224 1.00 0.72 C ATOM 0 HA PRO A 98 15.636 -1.231 0.056 1.00 0.55 H new ATOM 0 HB2 PRO A 98 13.806 -1.924 2.082 1.00 0.60 H new ATOM 0 HB3 PRO A 98 14.289 -3.017 0.800 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.254 -2.871 3.628 1.00 0.62 H new ATOM 0 HG3 PRO A 98 15.012 -4.278 2.612 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.500 -3.291 3.094 1.00 0.72 H new ATOM 0 HD3 PRO A 98 17.104 -4.052 1.566 1.00 0.72 H new ATOM 1557 N GLN A 99 15.614 1.008 0.940 1.00 0.51 N ATOM 1558 CA GLN A 99 15.503 2.371 1.404 1.00 0.54 C ATOM 1559 C GLN A 99 14.048 2.684 1.686 1.00 0.50 C ATOM 1560 O GLN A 99 13.696 3.150 2.770 1.00 0.57 O ATOM 1561 CB GLN A 99 16.077 3.327 0.352 1.00 0.56 C ATOM 1562 CG GLN A 99 15.476 4.721 0.378 1.00 0.72 C ATOM 1563 CD GLN A 99 15.929 5.535 1.575 1.00 0.97 C ATOM 1564 OE1 GLN A 99 15.312 5.501 2.640 1.00 1.73 O ATOM 1565 NE2 GLN A 99 17.005 6.283 1.408 1.00 1.32 N ATOM 0 H GLN A 99 15.834 0.918 -0.052 1.00 0.51 H new ATOM 0 HA GLN A 99 16.073 2.498 2.324 1.00 0.54 H new ATOM 0 HB2 GLN A 99 17.154 3.406 0.499 1.00 0.56 H new ATOM 0 HB3 GLN A 99 15.921 2.896 -0.637 1.00 0.56 H new ATOM 0 HG2 GLN A 99 15.749 5.246 -0.537 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.389 4.643 0.388 1.00 0.72 H new ATOM 0 HE21 GLN A 99 17.490 6.285 0.511 1.00 1.32 H new ATOM 0 HE22 GLN A 99 17.351 6.858 2.176 1.00 1.32 H new ATOM 1574 N CYS A 100 13.204 2.366 0.719 1.00 0.43 N ATOM 1575 CA CYS A 100 11.793 2.680 0.793 1.00 0.41 C ATOM 1576 C CYS A 100 11.025 1.810 -0.187 1.00 0.35 C ATOM 1577 O CYS A 100 11.614 1.086 -0.991 1.00 0.39 O ATOM 1578 CB CYS A 100 11.541 4.164 0.489 1.00 0.45 C ATOM 1579 SG CYS A 100 12.041 5.299 1.804 1.00 0.64 S ATOM 0 H CYS A 100 13.480 1.884 -0.136 1.00 0.43 H new ATOM 0 HA CYS A 100 11.447 2.480 1.807 1.00 0.41 H new ATOM 0 HB2 CYS A 100 12.074 4.430 -0.424 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.479 4.305 0.290 1.00 0.45 H new ATOM 0 HG CYS A 100 12.935 4.727 2.554 1.00 0.64 H new ATOM 1585 N ILE A 101 9.717 1.880 -0.110 1.00 0.29 N ATOM 1586 CA ILE A 101 8.847 1.130 -0.985 1.00 0.27 C ATOM 1587 C ILE A 101 7.989 2.109 -1.767 1.00 0.23 C ATOM 1588 O ILE A 101 7.370 2.980 -1.174 1.00 0.28 O ATOM 1589 CB ILE A 101 7.898 0.209 -0.187 1.00 0.35 C ATOM 1590 CG1 ILE A 101 8.605 -0.464 0.999 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.279 -0.832 -1.107 1.00 0.37 C ATOM 1592 CD1 ILE A 101 9.701 -1.437 0.620 1.00 0.73 C ATOM 0 H ILE A 101 9.223 2.463 0.566 1.00 0.29 H new ATOM 0 HA ILE A 101 9.468 0.519 -1.639 1.00 0.27 H new ATOM 0 HB ILE A 101 7.106 0.833 0.227 1.00 0.35 H new ATOM 0 HG12 ILE A 101 9.032 0.311 1.636 1.00 0.66 H new ATOM 0 HG13 ILE A 101 7.860 -0.992 1.595 1.00 0.66 H new ATOM 0 HG21 ILE A 101 6.612 -1.475 -0.532 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.713 -0.332 -1.893 1.00 0.37 H new ATOM 0 HG23 ILE A 101 8.068 -1.436 -1.556 1.00 0.37 H new ATOM 0 HD11 ILE A 101 10.140 -1.860 1.523 1.00 0.73 H new ATOM 0 HD12 ILE A 101 9.282 -2.238 0.011 1.00 0.73 H new ATOM 0 HD13 ILE A 101 10.471 -0.915 0.053 1.00 0.73 H new ATOM 1604 N MET A 102 7.949 1.974 -3.072 1.00 0.22 N ATOM 1605 CA MET A 102 7.115 2.831 -3.899 1.00 0.23 C ATOM 1606 C MET A 102 5.897 2.055 -4.369 1.00 0.22 C ATOM 1607 O MET A 102 6.025 1.090 -5.125 1.00 0.24 O ATOM 1608 CB MET A 102 7.895 3.353 -5.107 1.00 0.30 C ATOM 1609 CG MET A 102 8.922 4.417 -4.765 1.00 0.69 C ATOM 1610 SD MET A 102 9.826 4.986 -6.216 1.00 1.47 S ATOM 1611 CE MET A 102 8.472 5.427 -7.305 1.00 1.81 C ATOM 0 H MET A 102 8.484 1.278 -3.590 1.00 0.22 H new ATOM 0 HA MET A 102 6.798 3.686 -3.302 1.00 0.23 H new ATOM 0 HB2 MET A 102 8.400 2.516 -5.590 1.00 0.30 H new ATOM 0 HB3 MET A 102 7.191 3.761 -5.832 1.00 0.30 H new ATOM 0 HG2 MET A 102 8.422 5.264 -4.296 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.626 4.018 -4.034 1.00 0.69 H new ATOM 0 HE1 MET A 102 8.820 6.149 -8.044 1.00 1.81 H new ATOM 0 HE2 MET A 102 8.109 4.534 -7.814 1.00 1.81 H new ATOM 0 HE3 MET A 102 7.663 5.866 -6.721 1.00 1.81 H new ATOM 1621 N CYS A 103 4.722 2.444 -3.903 1.00 0.25 N ATOM 1622 CA CYS A 103 3.507 1.743 -4.279 1.00 0.26 C ATOM 1623 C CYS A 103 2.599 2.615 -5.133 1.00 0.27 C ATOM 1624 O CYS A 103 2.203 3.711 -4.730 1.00 0.32 O ATOM 1625 CB CYS A 103 2.752 1.278 -3.034 1.00 0.31 C ATOM 1626 SG CYS A 103 3.715 0.193 -1.952 1.00 0.39 S ATOM 0 H CYS A 103 4.584 3.232 -3.271 1.00 0.25 H new ATOM 0 HA CYS A 103 3.800 0.875 -4.870 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.435 2.153 -2.466 1.00 0.31 H new ATOM 0 HB3 CYS A 103 1.847 0.755 -3.344 1.00 0.31 H new ATOM 0 HG CYS A 103 2.910 -0.476 -1.181 1.00 0.39 H new ATOM 1632 N VAL A 104 2.295 2.134 -6.324 1.00 0.27 N ATOM 1633 CA VAL A 104 1.266 2.747 -7.144 1.00 0.28 C ATOM 1634 C VAL A 104 -0.026 1.963 -6.956 1.00 0.29 C ATOM 1635 O VAL A 104 -0.102 0.787 -7.312 1.00 0.29 O ATOM 1636 CB VAL A 104 1.660 2.766 -8.635 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.652 3.558 -9.450 1.00 0.35 C ATOM 1638 CG2 VAL A 104 3.057 3.336 -8.813 1.00 0.34 C ATOM 0 H VAL A 104 2.745 1.321 -6.745 1.00 0.27 H new ATOM 0 HA VAL A 104 1.136 3.783 -6.832 1.00 0.28 H new ATOM 0 HB VAL A 104 1.659 1.738 -8.999 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.951 3.557 -10.498 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.333 3.102 -9.353 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.614 4.584 -9.084 1.00 0.35 H new ATOM 0 HG21 VAL A 104 3.316 3.341 -9.872 1.00 0.34 H new ATOM 0 HG22 VAL A 104 3.086 4.355 -8.428 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.773 2.722 -8.267 1.00 0.34 H new ATOM 1648 N ASN A 105 -1.033 2.610 -6.393 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.234 1.910 -5.953 1.00 0.30 C ATOM 1650 C ASN A 105 -3.395 2.165 -6.895 1.00 0.27 C ATOM 1651 O ASN A 105 -3.649 3.303 -7.284 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.612 2.345 -4.537 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.443 2.254 -3.575 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -1.240 1.238 -2.911 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -0.664 3.322 -3.499 1.00 0.63 N ATOM 0 H ASN A 105 -1.045 3.617 -6.229 1.00 0.29 H new ATOM 0 HA ASN A 105 -2.017 0.842 -5.957 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -2.981 3.370 -4.561 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.428 1.721 -4.173 1.00 0.33 H new ATOM 0 HD21 ASN A 105 0.141 3.323 -2.872 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -0.868 4.144 -4.067 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.114 1.103 -7.223 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.214 1.174 -8.171 1.00 0.24 C ATOM 1664 C TYR A 106 -6.500 0.687 -7.513 1.00 0.25 C ATOM 1665 O TYR A 106 -6.693 -0.513 -7.332 1.00 0.26 O ATOM 1666 CB TYR A 106 -4.918 0.318 -9.408 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.639 0.681 -10.132 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -3.624 1.656 -11.120 1.00 0.35 C ATOM 1669 CD2 TYR A 106 -2.448 0.036 -9.827 1.00 0.31 C ATOM 1670 CE1 TYR A 106 -2.456 1.980 -11.784 1.00 0.40 C ATOM 1671 CE2 TYR A 106 -1.276 0.353 -10.487 1.00 0.35 C ATOM 1672 CZ TYR A 106 -1.286 1.326 -11.465 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.121 1.647 -12.127 1.00 0.48 O ATOM 0 H TYR A 106 -3.952 0.171 -6.841 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.333 2.212 -8.481 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -4.865 -0.728 -9.106 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.752 0.407 -10.104 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -4.540 2.170 -11.374 1.00 0.35 H new ATOM 0 HD2 TYR A 106 -2.437 -0.726 -9.062 1.00 0.31 H new ATOM 0 HE1 TYR A 106 -2.460 2.742 -12.549 1.00 0.40 H new ATOM 0 HE2 TYR A 106 -0.358 -0.158 -10.239 1.00 0.35 H new ATOM 0 HH TYR A 106 0.613 1.096 -11.783 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.351 1.620 -7.134 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.630 1.282 -6.522 1.00 0.28 C ATOM 1685 C VAL A 107 -9.549 0.642 -7.556 1.00 0.33 C ATOM 1686 O VAL A 107 -9.975 1.294 -8.513 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.322 2.515 -5.912 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.633 2.128 -5.245 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.403 3.200 -4.919 1.00 0.62 C ATOM 0 H VAL A 107 -7.184 2.621 -7.237 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.429 0.578 -5.715 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.546 3.213 -6.719 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -11.102 3.016 -4.822 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.299 1.682 -5.984 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.438 1.407 -4.451 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.907 4.069 -4.497 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -8.148 2.504 -4.119 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.492 3.519 -5.426 1.00 0.62 H new ATOM 1699 N LEU A 108 -9.833 -0.634 -7.360 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.604 -1.408 -8.318 1.00 0.39 C ATOM 1701 C LEU A 108 -12.036 -1.618 -7.837 1.00 0.44 C ATOM 1702 O LEU A 108 -12.971 -1.029 -8.380 1.00 0.60 O ATOM 1703 CB LEU A 108 -9.920 -2.754 -8.557 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.552 -2.667 -9.239 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -7.773 -3.950 -9.052 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.720 -2.391 -10.719 1.00 0.48 C ATOM 0 H LEU A 108 -9.538 -1.160 -6.538 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.649 -0.852 -9.255 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -9.801 -3.260 -7.599 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.576 -3.376 -9.167 1.00 0.44 H new ATOM 0 HG LEU A 108 -7.998 -1.849 -8.778 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -6.805 -3.863 -9.546 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -7.623 -4.133 -7.988 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -8.329 -4.780 -9.488 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.740 -2.332 -11.192 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -9.295 -3.196 -11.176 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -9.246 -1.446 -10.855 1.00 0.48 H new ATOM 1718 N SER A 109 -12.211 -2.464 -6.833 1.00 0.44 N ATOM 1719 CA SER A 109 -13.534 -2.726 -6.288 1.00 0.54 C ATOM 1720 C SER A 109 -13.807 -1.825 -5.088 1.00 0.64 C ATOM 1721 O SER A 109 -12.883 -1.431 -4.372 1.00 0.93 O ATOM 1722 CB SER A 109 -13.659 -4.200 -5.894 1.00 0.64 C ATOM 1723 OG SER A 109 -13.305 -5.043 -6.979 1.00 1.46 O ATOM 0 H SER A 109 -11.456 -2.979 -6.380 1.00 0.44 H new ATOM 0 HA SER A 109 -14.277 -2.506 -7.055 1.00 0.54 H new ATOM 0 HB2 SER A 109 -13.015 -4.409 -5.040 1.00 0.64 H new ATOM 0 HB3 SER A 109 -14.681 -4.412 -5.581 1.00 0.64 H new ATOM 0 HG SER A 109 -13.390 -5.980 -6.706 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.078 -1.508 -4.876 1.00 0.62 N ATOM 1730 CA GLU A 110 -15.473 -0.592 -3.815 1.00 0.74 C ATOM 1731 C GLU A 110 -15.579 -1.305 -2.467 1.00 0.59 C ATOM 1732 O GLU A 110 -15.058 -2.410 -2.293 1.00 0.55 O ATOM 1733 CB GLU A 110 -16.802 0.074 -4.161 1.00 1.07 C ATOM 1734 CG GLU A 110 -16.779 0.854 -5.463 1.00 1.46 C ATOM 1735 CD GLU A 110 -17.978 1.766 -5.613 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -19.114 1.253 -5.675 1.00 2.41 O ATOM 1737 OE2 GLU A 110 -17.798 2.999 -5.687 1.00 2.94 O ATOM 0 H GLU A 110 -15.855 -1.873 -5.427 1.00 0.62 H new ATOM 0 HA GLU A 110 -14.699 0.171 -3.730 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -17.576 -0.691 -4.221 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -17.082 0.747 -3.351 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -15.866 1.448 -5.511 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -16.750 0.157 -6.300 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.275 -0.668 -1.528 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.294 -1.108 -0.138 1.00 0.59 C ATOM 1746 C ILE A 111 -16.995 -2.450 0.045 1.00 0.58 C ATOM 1747 O ILE A 111 -18.206 -2.585 -0.150 1.00 0.68 O ATOM 1748 CB ILE A 111 -16.954 -0.051 0.776 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -16.239 1.296 0.617 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -16.920 -0.508 2.229 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -16.843 2.412 1.440 1.00 0.89 C ATOM 0 H ILE A 111 -16.838 0.163 -1.709 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.251 -1.234 0.151 1.00 0.59 H new ATOM 0 HB ILE A 111 -17.997 0.069 0.482 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -15.193 1.176 0.898 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -16.256 1.583 -0.434 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -17.389 0.248 2.859 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -17.461 -1.449 2.327 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -15.886 -0.650 2.542 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -16.282 3.332 1.273 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -17.881 2.562 1.144 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.802 2.148 2.497 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.191 -3.421 0.431 1.00 0.53 N ATOM 1764 CA GLU A 112 -16.643 -4.721 0.862 1.00 0.61 C ATOM 1765 C GLU A 112 -16.390 -4.790 2.355 1.00 0.64 C ATOM 1766 O GLU A 112 -15.418 -4.217 2.842 1.00 0.73 O ATOM 1767 CB GLU A 112 -15.869 -5.824 0.125 1.00 0.68 C ATOM 1768 CG GLU A 112 -15.953 -7.184 0.799 1.00 1.14 C ATOM 1769 CD GLU A 112 -15.158 -8.259 0.082 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -13.934 -8.094 -0.088 1.00 1.56 O ATOM 1771 OE2 GLU A 112 -15.749 -9.294 -0.294 1.00 1.64 O ATOM 0 H GLU A 112 -15.176 -3.320 0.453 1.00 0.53 H new ATOM 0 HA GLU A 112 -17.700 -4.869 0.641 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -16.253 -5.908 -0.892 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -14.822 -5.531 0.047 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -15.591 -7.097 1.824 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -16.998 -7.490 0.855 1.00 1.14 H new