USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 835 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 123 TYR OH : rot -140:sc= 0.641 USER MOD Set 1.2: A 138 LYS NZ :NH3+ -161:sc= 1.23 (180deg=1.02) USER MOD Set 2.1: A 99 TYR OH : rot 167:sc= 0.118 USER MOD Set 2.2: A 132 CYS SG : rot 67:sc= -3.56! USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= 1.24 (180deg=0.727) USER MOD Single : A 26 TYR OH : rot -104:sc= 1.13 USER MOD Single : A 33 THR OG1 : rot -84:sc= 1.17 USER MOD Single : A 34 LYS NZ :NH3+ 151:sc= 1.24 (180deg=1.08) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00932 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 40 ASN : amide:sc= -2.03 K(o=-2,f=-6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.4!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-0.19) USER MOD Single : A 57 TYR OH : rot 60:sc= 1.06 USER MOD Single : A 59 ASN : amide:sc= 0.357 K(o=0.36,f=-2.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.51) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0224 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.586 K(o=-0.59,f=-1.6) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -153:sc= 2.08 (180deg=1.08) USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= -0.0512 (180deg=-0.246) USER MOD Single : A 104 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.01) USER MOD Single : A 105 SER OG : rot -150:sc= -1.38! USER MOD Single : A 128 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0583) USER MOD Single : A 131 SER OG : rot -136:sc= 0.622 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 SER OG : rot 180:sc= -0.324 USER MOD Single : A 141 MET CE :methyl -168:sc= -1.15 (180deg=-1.41) USER MOD Single : A 142 SER OG : rot 6:sc= 1.15 USER MOD Single : A 143 LYS NZ :NH3+ -166:sc= 0.673 (180deg=0.23) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 18 -18.471 12.174 11.478 1.00 31.42 N ATOM 61 CA ASP A 18 -17.463 11.758 12.459 1.00 51.53 C ATOM 62 C ASP A 18 -17.723 10.321 12.942 1.00 41.21 C ATOM 63 O ASP A 18 -16.822 9.453 12.961 1.00 33.43 O ATOM 64 CB ASP A 18 -17.527 12.719 13.640 1.00 62.42 C ATOM 65 CG ASP A 18 -16.577 12.374 14.753 1.00 33.31 C ATOM 66 OD1 ASP A 18 -15.420 12.815 14.721 1.00 14.13 O ATOM 67 OD2 ASP A 18 -16.989 11.692 15.705 1.00 23.52 O ATOM 0 HA ASP A 18 -16.476 11.780 11.997 1.00 51.53 H new ATOM 0 HB2 ASP A 18 -17.310 13.728 13.288 1.00 62.42 H new ATOM 0 HB3 ASP A 18 -18.544 12.731 14.033 1.00 62.42 H new ATOM 72 N LEU A 19 -18.969 10.059 13.244 1.00 72.11 N ATOM 73 CA LEU A 19 -19.392 8.778 13.775 1.00 21.23 C ATOM 74 C LEU A 19 -19.332 7.742 12.645 1.00 33.31 C ATOM 75 O LEU A 19 -18.983 6.598 12.850 1.00 61.14 O ATOM 76 CB LEU A 19 -20.823 8.943 14.381 1.00 31.31 C ATOM 77 CG LEU A 19 -21.452 7.769 15.182 1.00 4.21 C ATOM 78 CD1 LEU A 19 -21.868 6.617 14.290 1.00 70.02 C ATOM 79 CD2 LEU A 19 -20.499 7.285 16.261 1.00 11.25 C ATOM 0 H LEU A 19 -19.728 10.730 13.129 1.00 72.11 H new ATOM 0 HA LEU A 19 -18.739 8.427 14.574 1.00 21.23 H new ATOM 0 HB2 LEU A 19 -20.802 9.813 15.038 1.00 31.31 H new ATOM 0 HB3 LEU A 19 -21.501 9.179 13.561 1.00 31.31 H new ATOM 0 HG LEU A 19 -22.356 8.155 15.652 1.00 4.21 H new ATOM 0 HD11 LEU A 19 -22.301 5.823 14.899 1.00 70.02 H new ATOM 0 HD12 LEU A 19 -22.607 6.964 13.568 1.00 70.02 H new ATOM 0 HD13 LEU A 19 -20.996 6.233 13.761 1.00 70.02 H new ATOM 0 HD21 LEU A 19 -20.958 6.463 16.810 1.00 11.25 H new ATOM 0 HD22 LEU A 19 -19.573 6.941 15.801 1.00 11.25 H new ATOM 0 HD23 LEU A 19 -20.281 8.103 16.948 1.00 11.25 H new ATOM 91 N ASP A 20 -19.619 8.208 11.464 1.00 2.31 N ATOM 92 CA ASP A 20 -19.619 7.422 10.240 1.00 43.02 C ATOM 93 C ASP A 20 -18.215 6.956 9.925 1.00 22.10 C ATOM 94 O ASP A 20 -17.992 5.768 9.668 1.00 64.24 O ATOM 95 CB ASP A 20 -20.188 8.273 9.095 1.00 32.01 C ATOM 96 CG ASP A 20 -20.118 7.626 7.732 1.00 45.25 C ATOM 97 OD1 ASP A 20 -19.135 7.852 7.021 1.00 61.14 O ATOM 98 OD2 ASP A 20 -21.084 6.947 7.326 1.00 30.01 O ATOM 0 H ASP A 20 -19.871 9.184 11.309 1.00 2.31 H new ATOM 0 HA ASP A 20 -20.245 6.539 10.366 1.00 43.02 H new ATOM 0 HB2 ASP A 20 -21.229 8.508 9.318 1.00 32.01 H new ATOM 0 HB3 ASP A 20 -19.648 9.219 9.061 1.00 32.01 H new ATOM 103 N VAL A 21 -17.253 7.878 9.994 1.00 61.40 N ATOM 104 CA VAL A 21 -15.876 7.529 9.736 1.00 31.30 C ATOM 105 C VAL A 21 -15.311 6.570 10.790 1.00 52.35 C ATOM 106 O VAL A 21 -14.657 5.576 10.445 1.00 44.40 O ATOM 107 CB VAL A 21 -14.919 8.744 9.459 1.00 35.30 C ATOM 108 CG1 VAL A 21 -14.946 9.769 10.568 1.00 73.41 C ATOM 109 CG2 VAL A 21 -13.496 8.262 9.241 1.00 24.04 C ATOM 0 H VAL A 21 -17.410 8.859 10.225 1.00 61.40 H new ATOM 0 HA VAL A 21 -15.909 6.994 8.787 1.00 31.30 H new ATOM 0 HB VAL A 21 -15.285 9.230 8.555 1.00 35.30 H new ATOM 0 HG11 VAL A 21 -14.267 10.586 10.325 1.00 73.41 H new ATOM 0 HG12 VAL A 21 -15.958 10.159 10.679 1.00 73.41 H new ATOM 0 HG13 VAL A 21 -14.633 9.303 11.502 1.00 73.41 H new ATOM 0 HG21 VAL A 21 -12.847 9.117 9.051 1.00 24.04 H new ATOM 0 HG22 VAL A 21 -13.150 7.735 10.130 1.00 24.04 H new ATOM 0 HG23 VAL A 21 -13.467 7.587 8.385 1.00 24.04 H new ATOM 119 N LYS A 22 -15.597 6.813 12.059 1.00 62.01 N ATOM 120 CA LYS A 22 -15.119 5.881 13.075 1.00 13.13 C ATOM 121 C LYS A 22 -15.886 4.549 13.014 1.00 63.14 C ATOM 122 O LYS A 22 -15.363 3.505 13.387 1.00 63.03 O ATOM 123 CB LYS A 22 -15.061 6.516 14.480 1.00 41.25 C ATOM 124 CG LYS A 22 -16.363 7.115 14.978 1.00 42.21 C ATOM 125 CD LYS A 22 -16.150 8.037 16.186 1.00 53.23 C ATOM 126 CE LYS A 22 -15.143 9.153 15.862 1.00 75.32 C ATOM 127 NZ LYS A 22 -15.128 10.228 16.874 1.00 2.52 N ATOM 0 H LYS A 22 -16.133 7.610 12.403 1.00 62.01 H new ATOM 0 HA LYS A 22 -14.081 5.638 12.845 1.00 13.13 H new ATOM 0 HB2 LYS A 22 -14.735 5.756 15.190 1.00 41.25 H new ATOM 0 HB3 LYS A 22 -14.300 7.296 14.476 1.00 41.25 H new ATOM 0 HG2 LYS A 22 -16.834 7.677 14.172 1.00 42.21 H new ATOM 0 HG3 LYS A 22 -17.049 6.313 15.251 1.00 42.21 H new ATOM 0 HD2 LYS A 22 -17.102 8.477 16.483 1.00 53.23 H new ATOM 0 HD3 LYS A 22 -15.790 7.453 17.033 1.00 53.23 H new ATOM 0 HE2 LYS A 22 -14.145 8.722 15.783 1.00 75.32 H new ATOM 0 HE3 LYS A 22 -15.384 9.581 14.889 1.00 75.32 H new ATOM 0 HZ1 LYS A 22 -14.229 10.747 16.815 1.00 2.52 H new ATOM 0 HZ2 LYS A 22 -15.918 10.882 16.698 1.00 2.52 H new ATOM 0 HZ3 LYS A 22 -15.227 9.813 17.823 1.00 2.52 H new ATOM 141 N GLY A 23 -17.097 4.606 12.484 1.00 23.30 N ATOM 142 CA GLY A 23 -17.909 3.431 12.290 1.00 71.44 C ATOM 143 C GLY A 23 -17.342 2.506 11.221 1.00 54.01 C ATOM 144 O GLY A 23 -17.060 1.324 11.502 1.00 63.23 O ATOM 0 H GLY A 23 -17.539 5.473 12.178 1.00 23.30 H new ATOM 0 HA2 GLY A 23 -17.989 2.888 13.232 1.00 71.44 H new ATOM 0 HA3 GLY A 23 -18.918 3.732 12.009 1.00 71.44 H new ATOM 148 N LEU A 24 -17.133 3.020 9.989 1.00 74.12 N ATOM 149 CA LEU A 24 -16.607 2.150 8.939 1.00 22.53 C ATOM 150 C LEU A 24 -15.155 1.807 9.239 1.00 21.31 C ATOM 151 O LEU A 24 -14.689 0.710 8.928 1.00 54.32 O ATOM 152 CB LEU A 24 -16.768 2.707 7.483 1.00 72.32 C ATOM 153 CG LEU A 24 -15.675 3.652 6.905 1.00 5.14 C ATOM 154 CD1 LEU A 24 -15.841 3.805 5.406 1.00 41.23 C ATOM 155 CD2 LEU A 24 -15.734 5.013 7.524 1.00 41.14 C ATOM 0 H LEU A 24 -17.313 3.986 9.714 1.00 74.12 H new ATOM 0 HA LEU A 24 -17.218 1.248 8.956 1.00 22.53 H new ATOM 0 HB2 LEU A 24 -16.850 1.852 6.812 1.00 72.32 H new ATOM 0 HB3 LEU A 24 -17.718 3.239 7.439 1.00 72.32 H new ATOM 0 HG LEU A 24 -14.712 3.196 7.135 1.00 5.14 H new ATOM 0 HD11 LEU A 24 -15.068 4.469 5.020 1.00 41.23 H new ATOM 0 HD12 LEU A 24 -15.752 2.829 4.929 1.00 41.23 H new ATOM 0 HD13 LEU A 24 -16.823 4.227 5.190 1.00 41.23 H new ATOM 0 HD21 LEU A 24 -14.955 5.642 7.094 1.00 41.14 H new ATOM 0 HD22 LEU A 24 -16.709 5.459 7.330 1.00 41.14 H new ATOM 0 HD23 LEU A 24 -15.581 4.930 8.600 1.00 41.14 H new ATOM 167 N GLY A 25 -14.465 2.740 9.898 1.00 23.13 N ATOM 168 CA GLY A 25 -13.095 2.528 10.287 1.00 22.44 C ATOM 169 C GLY A 25 -12.959 1.397 11.278 1.00 24.13 C ATOM 170 O GLY A 25 -12.039 0.570 11.167 1.00 51.10 O ATOM 0 H GLY A 25 -14.845 3.647 10.168 1.00 23.13 H new ATOM 0 HA2 GLY A 25 -12.496 2.310 9.403 1.00 22.44 H new ATOM 0 HA3 GLY A 25 -12.696 3.443 10.724 1.00 22.44 H new ATOM 174 N TYR A 26 -13.863 1.332 12.251 1.00 10.43 N ATOM 175 CA TYR A 26 -13.818 0.250 13.197 1.00 22.45 C ATOM 176 C TYR A 26 -14.184 -1.056 12.534 1.00 52.22 C ATOM 177 O TYR A 26 -13.517 -2.040 12.751 1.00 54.20 O ATOM 178 CB TYR A 26 -14.683 0.463 14.458 1.00 15.21 C ATOM 179 CG TYR A 26 -14.566 -0.725 15.400 1.00 32.25 C ATOM 180 CD1 TYR A 26 -13.413 -0.921 16.151 1.00 2.15 C ATOM 181 CD2 TYR A 26 -15.572 -1.685 15.485 1.00 65.14 C ATOM 182 CE1 TYR A 26 -13.263 -2.033 16.953 1.00 62.11 C ATOM 183 CE2 TYR A 26 -15.430 -2.793 16.297 1.00 25.30 C ATOM 184 CZ TYR A 26 -14.276 -2.964 17.024 1.00 30.15 C ATOM 185 OH TYR A 26 -14.116 -4.095 17.803 1.00 75.33 O ATOM 0 H TYR A 26 -14.616 2.005 12.394 1.00 10.43 H new ATOM 0 HA TYR A 26 -12.785 0.219 13.544 1.00 22.45 H new ATOM 0 HB2 TYR A 26 -14.369 1.372 14.971 1.00 15.21 H new ATOM 0 HB3 TYR A 26 -15.725 0.604 14.170 1.00 15.21 H new ATOM 0 HD1 TYR A 26 -12.620 -0.189 16.106 1.00 2.15 H new ATOM 0 HD2 TYR A 26 -16.476 -1.561 14.907 1.00 65.14 H new ATOM 0 HE1 TYR A 26 -12.356 -2.173 17.522 1.00 62.11 H new ATOM 0 HE2 TYR A 26 -16.223 -3.523 16.361 1.00 25.30 H new ATOM 0 HH TYR A 26 -13.932 -4.866 17.227 1.00 75.33 H new ATOM 195 N ASP A 27 -15.223 -1.049 11.706 1.00 52.34 N ATOM 196 CA ASP A 27 -15.698 -2.282 11.047 1.00 3.15 C ATOM 197 C ASP A 27 -14.570 -2.908 10.229 1.00 44.25 C ATOM 198 O ASP A 27 -14.313 -4.122 10.311 1.00 25.31 O ATOM 199 CB ASP A 27 -16.907 -1.981 10.152 1.00 52.10 C ATOM 200 CG ASP A 27 -17.579 -3.228 9.612 1.00 3.12 C ATOM 201 OD1 ASP A 27 -18.589 -3.666 10.201 1.00 70.30 O ATOM 202 OD2 ASP A 27 -17.142 -3.767 8.594 1.00 24.21 O ATOM 0 H ASP A 27 -15.757 -0.213 11.470 1.00 52.34 H new ATOM 0 HA ASP A 27 -16.008 -2.991 11.814 1.00 3.15 H new ATOM 0 HB2 ASP A 27 -17.635 -1.401 10.720 1.00 52.10 H new ATOM 0 HB3 ASP A 27 -16.586 -1.359 9.316 1.00 52.10 H new ATOM 207 N PHE A 28 -13.865 -2.049 9.510 1.00 70.31 N ATOM 208 CA PHE A 28 -12.724 -2.416 8.697 1.00 33.12 C ATOM 209 C PHE A 28 -11.614 -2.988 9.576 1.00 13.31 C ATOM 210 O PHE A 28 -11.158 -4.109 9.369 1.00 11.53 O ATOM 211 CB PHE A 28 -12.272 -1.151 7.941 1.00 11.13 C ATOM 212 CG PHE A 28 -10.951 -1.187 7.216 1.00 12.14 C ATOM 213 CD1 PHE A 28 -9.790 -0.893 7.895 1.00 63.21 C ATOM 214 CD2 PHE A 28 -10.877 -1.447 5.857 1.00 41.10 C ATOM 215 CE1 PHE A 28 -8.584 -0.860 7.251 1.00 34.12 C ATOM 216 CE2 PHE A 28 -9.662 -1.421 5.204 1.00 3.23 C ATOM 217 CZ PHE A 28 -8.515 -1.125 5.901 1.00 72.22 C ATOM 0 H PHE A 28 -14.079 -1.052 9.477 1.00 70.31 H new ATOM 0 HA PHE A 28 -12.982 -3.194 7.978 1.00 33.12 H new ATOM 0 HB2 PHE A 28 -13.045 -0.905 7.213 1.00 11.13 H new ATOM 0 HB3 PHE A 28 -12.236 -0.330 8.657 1.00 11.13 H new ATOM 0 HD1 PHE A 28 -9.832 -0.685 8.954 1.00 63.21 H new ATOM 0 HD2 PHE A 28 -11.777 -1.672 5.305 1.00 41.10 H new ATOM 0 HE1 PHE A 28 -7.685 -0.626 7.801 1.00 34.12 H new ATOM 0 HE2 PHE A 28 -9.612 -1.633 4.146 1.00 3.23 H new ATOM 0 HZ PHE A 28 -7.563 -1.100 5.392 1.00 72.22 H new ATOM 227 N ILE A 29 -11.224 -2.238 10.579 1.00 20.44 N ATOM 228 CA ILE A 29 -10.165 -2.661 11.469 1.00 51.54 C ATOM 229 C ILE A 29 -10.529 -3.920 12.242 1.00 4.45 C ATOM 230 O ILE A 29 -9.676 -4.774 12.469 1.00 33.51 O ATOM 231 CB ILE A 29 -9.685 -1.500 12.394 1.00 65.13 C ATOM 232 CG1 ILE A 29 -8.808 -0.519 11.601 1.00 62.42 C ATOM 233 CG2 ILE A 29 -8.966 -1.981 13.664 1.00 0.44 C ATOM 234 CD1 ILE A 29 -7.590 -1.165 10.954 1.00 13.11 C ATOM 0 H ILE A 29 -11.625 -1.327 10.801 1.00 20.44 H new ATOM 0 HA ILE A 29 -9.313 -2.930 10.845 1.00 51.54 H new ATOM 0 HB ILE A 29 -10.582 -0.986 12.741 1.00 65.13 H new ATOM 0 HG12 ILE A 29 -9.414 -0.051 10.825 1.00 62.42 H new ATOM 0 HG13 ILE A 29 -8.474 0.276 12.268 1.00 62.42 H new ATOM 0 HG21 ILE A 29 -8.661 -1.119 14.258 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -9.641 -2.605 14.250 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -8.085 -2.560 13.386 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -7.021 -0.409 10.413 1.00 13.11 H new ATOM 0 HD12 ILE A 29 -6.961 -1.609 11.725 1.00 13.11 H new ATOM 0 HD13 ILE A 29 -7.915 -1.940 10.260 1.00 13.11 H new ATOM 246 N ASP A 30 -11.785 -4.067 12.577 1.00 3.12 N ATOM 247 CA ASP A 30 -12.237 -5.228 13.307 1.00 30.20 C ATOM 248 C ASP A 30 -12.153 -6.455 12.436 1.00 15.34 C ATOM 249 O ASP A 30 -11.611 -7.459 12.859 1.00 42.52 O ATOM 250 CB ASP A 30 -13.648 -5.047 13.871 1.00 4.22 C ATOM 251 CG ASP A 30 -14.036 -6.155 14.832 1.00 10.23 C ATOM 252 OD1 ASP A 30 -13.561 -6.134 15.994 1.00 35.10 O ATOM 253 OD2 ASP A 30 -14.833 -7.040 14.468 1.00 54.24 O ATOM 0 H ASP A 30 -12.519 -3.394 12.355 1.00 3.12 H new ATOM 0 HA ASP A 30 -11.575 -5.357 14.163 1.00 30.20 H new ATOM 0 HB2 ASP A 30 -13.710 -4.087 14.384 1.00 4.22 H new ATOM 0 HB3 ASP A 30 -14.363 -5.016 13.049 1.00 4.22 H new ATOM 258 N LEU A 31 -12.580 -6.346 11.176 1.00 44.31 N ATOM 259 CA LEU A 31 -12.533 -7.498 10.291 1.00 54.43 C ATOM 260 C LEU A 31 -11.086 -7.871 9.972 1.00 4.24 C ATOM 261 O LEU A 31 -10.759 -9.045 9.795 1.00 1.15 O ATOM 262 CB LEU A 31 -13.405 -7.292 9.027 1.00 63.12 C ATOM 263 CG LEU A 31 -13.042 -6.147 8.076 1.00 51.35 C ATOM 264 CD1 LEU A 31 -11.903 -6.519 7.148 1.00 73.24 C ATOM 265 CD2 LEU A 31 -14.254 -5.674 7.304 1.00 65.33 C ATOM 0 H LEU A 31 -12.952 -5.493 10.759 1.00 44.31 H new ATOM 0 HA LEU A 31 -12.973 -8.349 10.810 1.00 54.43 H new ATOM 0 HB2 LEU A 31 -13.386 -8.219 8.454 1.00 63.12 H new ATOM 0 HB3 LEU A 31 -14.434 -7.140 9.353 1.00 63.12 H new ATOM 0 HG LEU A 31 -12.692 -5.316 8.689 1.00 51.35 H new ATOM 0 HD11 LEU A 31 -11.679 -5.678 6.492 1.00 73.24 H new ATOM 0 HD12 LEU A 31 -11.019 -6.765 7.737 1.00 73.24 H new ATOM 0 HD13 LEU A 31 -12.190 -7.382 6.547 1.00 73.24 H new ATOM 0 HD21 LEU A 31 -13.966 -4.861 6.637 1.00 65.33 H new ATOM 0 HD22 LEU A 31 -14.656 -6.500 6.717 1.00 65.33 H new ATOM 0 HD23 LEU A 31 -15.014 -5.320 8.001 1.00 65.33 H new ATOM 277 N VAL A 32 -10.213 -6.862 9.944 1.00 20.24 N ATOM 278 CA VAL A 32 -8.804 -7.088 9.744 1.00 32.02 C ATOM 279 C VAL A 32 -8.196 -7.778 10.984 1.00 41.03 C ATOM 280 O VAL A 32 -7.259 -8.562 10.877 1.00 55.03 O ATOM 281 CB VAL A 32 -8.057 -5.749 9.427 1.00 62.11 C ATOM 282 CG1 VAL A 32 -6.554 -5.945 9.393 1.00 62.43 C ATOM 283 CG2 VAL A 32 -8.516 -5.189 8.087 1.00 3.53 C ATOM 0 H VAL A 32 -10.471 -5.882 10.059 1.00 20.24 H new ATOM 0 HA VAL A 32 -8.680 -7.745 8.884 1.00 32.02 H new ATOM 0 HB VAL A 32 -8.300 -5.046 10.224 1.00 62.11 H new ATOM 0 HG11 VAL A 32 -6.068 -4.995 9.170 1.00 62.43 H new ATOM 0 HG12 VAL A 32 -6.213 -6.309 10.362 1.00 62.43 H new ATOM 0 HG13 VAL A 32 -6.299 -6.672 8.622 1.00 62.43 H new ATOM 0 HG21 VAL A 32 -7.987 -4.258 7.881 1.00 3.53 H new ATOM 0 HG22 VAL A 32 -8.301 -5.910 7.298 1.00 3.53 H new ATOM 0 HG23 VAL A 32 -9.588 -4.997 8.121 1.00 3.53 H new ATOM 293 N THR A 33 -8.787 -7.557 12.144 1.00 33.34 N ATOM 294 CA THR A 33 -8.239 -8.106 13.363 1.00 22.55 C ATOM 295 C THR A 33 -9.106 -9.247 13.863 1.00 4.22 C ATOM 296 O THR A 33 -9.047 -9.638 15.037 1.00 12.53 O ATOM 297 CB THR A 33 -8.089 -7.010 14.450 1.00 52.44 C ATOM 298 OG1 THR A 33 -9.326 -6.287 14.609 1.00 50.02 O ATOM 299 CG2 THR A 33 -6.983 -6.032 14.073 1.00 53.14 C ATOM 0 H THR A 33 -9.637 -7.007 12.264 1.00 33.34 H new ATOM 0 HA THR A 33 -7.245 -8.496 13.146 1.00 22.55 H new ATOM 0 HB THR A 33 -7.832 -7.500 15.389 1.00 52.44 H new ATOM 0 HG1 THR A 33 -9.376 -5.573 13.940 1.00 50.02 H new ATOM 0 HG21 THR A 33 -6.892 -5.270 14.847 1.00 53.14 H new ATOM 0 HG22 THR A 33 -6.039 -6.569 13.979 1.00 53.14 H new ATOM 0 HG23 THR A 33 -7.226 -5.557 13.123 1.00 53.14 H new ATOM 307 N LYS A 34 -9.899 -9.794 12.971 1.00 43.15 N ATOM 308 CA LYS A 34 -10.779 -10.868 13.325 1.00 3.01 C ATOM 309 C LYS A 34 -9.985 -12.169 13.428 1.00 2.21 C ATOM 310 O LYS A 34 -8.871 -12.274 12.875 1.00 51.35 O ATOM 311 CB LYS A 34 -11.925 -10.982 12.312 1.00 65.13 C ATOM 312 CG LYS A 34 -13.280 -11.310 12.937 1.00 55.11 C ATOM 313 CD LYS A 34 -13.682 -10.223 13.935 1.00 12.11 C ATOM 314 CE LYS A 34 -15.063 -10.434 14.505 1.00 40.41 C ATOM 315 NZ LYS A 34 -15.369 -9.420 15.531 1.00 35.21 N ATOM 0 H LYS A 34 -9.948 -9.507 11.993 1.00 43.15 H new ATOM 0 HA LYS A 34 -11.227 -10.664 14.298 1.00 3.01 H new ATOM 0 HB2 LYS A 34 -12.007 -10.043 11.765 1.00 65.13 H new ATOM 0 HB3 LYS A 34 -11.676 -11.754 11.584 1.00 65.13 H new ATOM 0 HG2 LYS A 34 -14.037 -11.395 12.157 1.00 55.11 H new ATOM 0 HG3 LYS A 34 -13.232 -12.275 13.441 1.00 55.11 H new ATOM 0 HD2 LYS A 34 -12.958 -10.198 14.749 1.00 12.11 H new ATOM 0 HD3 LYS A 34 -13.642 -9.251 13.443 1.00 12.11 H new ATOM 0 HE2 LYS A 34 -15.802 -10.383 13.706 1.00 40.41 H new ATOM 0 HE3 LYS A 34 -15.133 -11.431 14.941 1.00 40.41 H new ATOM 0 HZ1 LYS A 34 -16.395 -9.251 15.557 1.00 35.21 H new ATOM 0 HZ2 LYS A 34 -15.051 -9.760 16.461 1.00 35.21 H new ATOM 0 HZ3 LYS A 34 -14.877 -8.533 15.300 1.00 35.21 H new ATOM 329 N SER A 35 -10.530 -13.120 14.155 1.00 55.14 N ATOM 330 CA SER A 35 -9.908 -14.399 14.386 1.00 23.40 C ATOM 331 C SER A 35 -9.578 -15.119 13.055 1.00 10.34 C ATOM 332 O SER A 35 -10.444 -15.257 12.177 1.00 64.02 O ATOM 333 CB SER A 35 -10.860 -15.242 15.231 1.00 53.33 C ATOM 334 OG SER A 35 -11.332 -14.479 16.347 1.00 30.33 O ATOM 0 H SER A 35 -11.437 -13.020 14.610 1.00 55.14 H new ATOM 0 HA SER A 35 -8.963 -14.254 14.909 1.00 23.40 H new ATOM 0 HB2 SER A 35 -11.703 -15.572 14.624 1.00 53.33 H new ATOM 0 HB3 SER A 35 -10.350 -16.139 15.583 1.00 53.33 H new ATOM 0 HG SER A 35 -11.943 -15.027 16.883 1.00 30.33 H new ATOM 340 N PRO A 36 -8.328 -15.627 12.916 1.00 60.51 N ATOM 341 CA PRO A 36 -7.853 -16.313 11.692 1.00 42.22 C ATOM 342 C PRO A 36 -8.540 -17.665 11.504 1.00 41.25 C ATOM 343 O PRO A 36 -8.373 -18.340 10.488 1.00 22.12 O ATOM 344 CB PRO A 36 -6.355 -16.500 11.947 1.00 43.04 C ATOM 345 CG PRO A 36 -6.209 -16.488 13.427 1.00 70.02 C ATOM 346 CD PRO A 36 -7.274 -15.571 13.952 1.00 63.21 C ATOM 0 HA PRO A 36 -8.070 -15.747 10.786 1.00 42.22 H new ATOM 0 HB2 PRO A 36 -5.997 -17.438 11.523 1.00 43.04 H new ATOM 0 HB3 PRO A 36 -5.774 -15.701 11.487 1.00 43.04 H new ATOM 0 HG2 PRO A 36 -6.325 -17.492 13.836 1.00 70.02 H new ATOM 0 HG3 PRO A 36 -5.218 -16.138 13.716 1.00 70.02 H new ATOM 0 HD2 PRO A 36 -7.647 -15.904 14.921 1.00 63.21 H new ATOM 0 HD3 PRO A 36 -6.898 -14.557 14.086 1.00 63.21 H new ATOM 354 N ASP A 37 -9.300 -18.032 12.521 1.00 3.41 N ATOM 355 CA ASP A 37 -10.100 -19.244 12.576 1.00 62.02 C ATOM 356 C ASP A 37 -11.239 -19.186 11.548 1.00 14.30 C ATOM 357 O ASP A 37 -11.808 -20.218 11.162 1.00 21.21 O ATOM 358 CB ASP A 37 -10.655 -19.409 14.001 1.00 70.14 C ATOM 359 CG ASP A 37 -11.557 -20.606 14.179 1.00 64.10 C ATOM 360 OD1 ASP A 37 -12.790 -20.446 14.112 1.00 23.03 O ATOM 361 OD2 ASP A 37 -11.062 -21.719 14.417 1.00 72.33 O ATOM 0 H ASP A 37 -9.380 -17.469 13.368 1.00 3.41 H new ATOM 0 HA ASP A 37 -9.478 -20.105 12.329 1.00 62.02 H new ATOM 0 HB2 ASP A 37 -9.820 -19.491 14.697 1.00 70.14 H new ATOM 0 HB3 ASP A 37 -11.207 -18.509 14.270 1.00 70.14 H new ATOM 366 N SER A 38 -11.561 -17.975 11.103 1.00 42.41 N ATOM 367 CA SER A 38 -12.555 -17.763 10.068 1.00 25.03 C ATOM 368 C SER A 38 -11.914 -18.140 8.706 1.00 23.32 C ATOM 369 O SER A 38 -10.762 -18.610 8.678 1.00 70.11 O ATOM 370 CB SER A 38 -13.019 -16.285 10.101 1.00 61.32 C ATOM 371 OG SER A 38 -14.101 -16.036 9.208 1.00 71.45 O ATOM 0 H SER A 38 -11.137 -17.116 11.453 1.00 42.41 H new ATOM 0 HA SER A 38 -13.436 -18.386 10.226 1.00 25.03 H new ATOM 0 HB2 SER A 38 -13.321 -16.024 11.115 1.00 61.32 H new ATOM 0 HB3 SER A 38 -12.181 -15.638 9.842 1.00 61.32 H new ATOM 0 HG SER A 38 -14.361 -15.093 9.264 1.00 71.45 H new ATOM 377 N VAL A 39 -12.632 -17.955 7.594 1.00 73.43 N ATOM 378 CA VAL A 39 -12.086 -18.328 6.283 1.00 54.13 C ATOM 379 C VAL A 39 -10.807 -17.552 5.965 1.00 71.24 C ATOM 380 O VAL A 39 -9.767 -18.158 5.663 1.00 33.41 O ATOM 381 CB VAL A 39 -13.129 -18.227 5.094 1.00 63.35 C ATOM 382 CG1 VAL A 39 -13.690 -16.825 4.915 1.00 74.55 C ATOM 383 CG2 VAL A 39 -12.519 -18.712 3.785 1.00 53.32 C ATOM 0 H VAL A 39 -13.572 -17.559 7.572 1.00 73.43 H new ATOM 0 HA VAL A 39 -11.838 -19.386 6.367 1.00 54.13 H new ATOM 0 HB VAL A 39 -13.960 -18.877 5.367 1.00 63.35 H new ATOM 0 HG11 VAL A 39 -14.398 -16.819 4.086 1.00 74.55 H new ATOM 0 HG12 VAL A 39 -14.198 -16.517 5.829 1.00 74.55 H new ATOM 0 HG13 VAL A 39 -12.876 -16.132 4.702 1.00 74.55 H new ATOM 0 HG21 VAL A 39 -13.258 -18.631 2.987 1.00 53.32 H new ATOM 0 HG22 VAL A 39 -11.651 -18.100 3.539 1.00 53.32 H new ATOM 0 HG23 VAL A 39 -12.211 -19.752 3.890 1.00 53.32 H new ATOM 393 N ASN A 40 -10.868 -16.227 6.123 1.00 42.42 N ATOM 394 CA ASN A 40 -9.763 -15.339 5.779 1.00 54.42 C ATOM 395 C ASN A 40 -10.179 -13.893 6.013 1.00 43.31 C ATOM 396 O ASN A 40 -11.246 -13.479 5.551 1.00 63.15 O ATOM 397 CB ASN A 40 -9.393 -15.554 4.298 1.00 34.43 C ATOM 398 CG ASN A 40 -8.330 -14.634 3.781 1.00 5.53 C ATOM 399 OD1 ASN A 40 -7.512 -14.144 4.519 1.00 33.35 O ATOM 400 ND2 ASN A 40 -8.320 -14.436 2.502 1.00 34.13 N ATOM 0 H ASN A 40 -11.686 -15.743 6.493 1.00 42.42 H new ATOM 0 HA ASN A 40 -8.898 -15.559 6.404 1.00 54.42 H new ATOM 0 HB2 ASN A 40 -9.060 -16.583 4.166 1.00 34.43 H new ATOM 0 HB3 ASN A 40 -10.290 -15.429 3.691 1.00 34.43 H new ATOM 0 HD21 ASN A 40 -7.601 -13.846 2.083 1.00 34.13 H new ATOM 0 HD22 ASN A 40 -9.031 -14.870 1.913 1.00 34.13 H new ATOM 407 N SER A 41 -9.352 -13.127 6.703 1.00 74.03 N ATOM 408 CA SER A 41 -9.657 -11.731 7.022 1.00 3.30 C ATOM 409 C SER A 41 -9.827 -10.915 5.737 1.00 10.32 C ATOM 410 O SER A 41 -10.729 -10.057 5.624 1.00 43.14 O ATOM 411 CB SER A 41 -8.529 -11.156 7.884 1.00 72.21 C ATOM 412 OG SER A 41 -8.336 -11.965 9.047 1.00 72.32 O ATOM 0 H SER A 41 -8.452 -13.448 7.060 1.00 74.03 H new ATOM 0 HA SER A 41 -10.594 -11.680 7.577 1.00 3.30 H new ATOM 0 HB2 SER A 41 -7.606 -11.111 7.306 1.00 72.21 H new ATOM 0 HB3 SER A 41 -8.771 -10.135 8.178 1.00 72.21 H new ATOM 0 HG SER A 41 -7.612 -11.590 9.590 1.00 72.32 H new ATOM 418 N GLU A 42 -9.037 -11.274 4.741 1.00 24.31 N ATOM 419 CA GLU A 42 -9.031 -10.602 3.464 1.00 63.23 C ATOM 420 C GLU A 42 -10.352 -10.815 2.729 1.00 44.11 C ATOM 421 O GLU A 42 -10.710 -10.045 1.847 1.00 3.05 O ATOM 422 CB GLU A 42 -7.857 -11.076 2.605 1.00 0.44 C ATOM 423 CG GLU A 42 -6.518 -11.083 3.333 1.00 2.24 C ATOM 424 CD GLU A 42 -6.275 -9.822 4.125 1.00 63.54 C ATOM 425 OE1 GLU A 42 -6.473 -9.862 5.366 1.00 74.40 O ATOM 426 OE2 GLU A 42 -5.930 -8.794 3.529 1.00 70.01 O ATOM 0 H GLU A 42 -8.377 -12.049 4.802 1.00 24.31 H new ATOM 0 HA GLU A 42 -8.912 -9.534 3.648 1.00 63.23 H new ATOM 0 HB2 GLU A 42 -8.068 -12.083 2.244 1.00 0.44 H new ATOM 0 HB3 GLU A 42 -7.779 -10.433 1.728 1.00 0.44 H new ATOM 0 HG2 GLU A 42 -6.479 -11.941 4.004 1.00 2.24 H new ATOM 0 HG3 GLU A 42 -5.716 -11.210 2.606 1.00 2.24 H new ATOM 433 N HIS A 43 -11.093 -11.863 3.107 1.00 4.23 N ATOM 434 CA HIS A 43 -12.394 -12.124 2.507 1.00 12.13 C ATOM 435 C HIS A 43 -13.358 -11.024 2.921 1.00 70.43 C ATOM 436 O HIS A 43 -14.048 -10.417 2.076 1.00 31.34 O ATOM 437 CB HIS A 43 -12.937 -13.507 2.933 1.00 63.24 C ATOM 438 CG HIS A 43 -14.338 -13.794 2.458 1.00 52.42 C ATOM 439 ND1 HIS A 43 -15.458 -13.667 3.255 1.00 21.43 N ATOM 440 CD2 HIS A 43 -14.788 -14.175 1.242 1.00 52.20 C ATOM 441 CE1 HIS A 43 -16.528 -13.963 2.517 1.00 60.43 C ATOM 442 NE2 HIS A 43 -16.176 -14.277 1.280 1.00 44.21 N ATOM 0 H HIS A 43 -10.812 -12.536 3.820 1.00 4.23 H new ATOM 0 HA HIS A 43 -12.290 -12.133 1.422 1.00 12.13 H new ATOM 0 HB2 HIS A 43 -12.270 -14.280 2.551 1.00 63.24 H new ATOM 0 HB3 HIS A 43 -12.913 -13.575 4.021 1.00 63.24 H new ATOM 0 HD1 HIS A 43 -15.466 -13.394 4.238 1.00 21.43 H new ATOM 0 HD2 HIS A 43 -14.169 -14.369 0.378 1.00 52.20 H new ATOM 0 HE1 HIS A 43 -17.545 -13.949 2.880 1.00 60.43 H new ATOM 450 N GLU A 44 -13.356 -10.733 4.211 1.00 30.52 N ATOM 451 CA GLU A 44 -14.212 -9.735 4.770 1.00 73.35 C ATOM 452 C GLU A 44 -13.771 -8.386 4.272 1.00 24.54 C ATOM 453 O GLU A 44 -14.585 -7.517 4.030 1.00 33.32 O ATOM 454 CB GLU A 44 -14.114 -9.773 6.278 1.00 12.03 C ATOM 455 CG GLU A 44 -14.215 -11.166 6.862 1.00 40.30 C ATOM 456 CD GLU A 44 -15.504 -11.876 6.532 1.00 22.45 C ATOM 457 OE1 GLU A 44 -16.591 -11.402 6.941 1.00 62.14 O ATOM 458 OE2 GLU A 44 -15.443 -12.952 5.889 1.00 22.14 O ATOM 0 H GLU A 44 -12.752 -11.193 4.892 1.00 30.52 H new ATOM 0 HA GLU A 44 -15.244 -9.922 4.473 1.00 73.35 H new ATOM 0 HB2 GLU A 44 -13.166 -9.329 6.582 1.00 12.03 H new ATOM 0 HB3 GLU A 44 -14.906 -9.154 6.700 1.00 12.03 H new ATOM 0 HG2 GLU A 44 -13.379 -11.763 6.498 1.00 40.30 H new ATOM 0 HG3 GLU A 44 -14.114 -11.103 7.945 1.00 40.30 H new ATOM 465 N LEU A 45 -12.467 -8.229 4.088 1.00 35.44 N ATOM 466 CA LEU A 45 -11.922 -7.006 3.589 1.00 50.21 C ATOM 467 C LEU A 45 -12.363 -6.776 2.148 1.00 54.12 C ATOM 468 O LEU A 45 -12.798 -5.681 1.797 1.00 10.12 O ATOM 469 CB LEU A 45 -10.409 -7.005 3.689 1.00 24.22 C ATOM 470 CG LEU A 45 -9.761 -5.679 3.357 1.00 52.22 C ATOM 471 CD1 LEU A 45 -10.208 -4.627 4.342 1.00 31.41 C ATOM 472 CD2 LEU A 45 -8.248 -5.794 3.307 1.00 34.34 C ATOM 0 H LEU A 45 -11.773 -8.951 4.284 1.00 35.44 H new ATOM 0 HA LEU A 45 -12.301 -6.189 4.204 1.00 50.21 H new ATOM 0 HB2 LEU A 45 -10.124 -7.291 4.701 1.00 24.22 H new ATOM 0 HB3 LEU A 45 -10.012 -7.767 3.018 1.00 24.22 H new ATOM 0 HG LEU A 45 -10.084 -5.376 2.361 1.00 52.22 H new ATOM 0 HD11 LEU A 45 -9.737 -3.675 4.096 1.00 31.41 H new ATOM 0 HD12 LEU A 45 -11.292 -4.519 4.293 1.00 31.41 H new ATOM 0 HD13 LEU A 45 -9.919 -4.926 5.350 1.00 31.41 H new ATOM 0 HD21 LEU A 45 -7.817 -4.822 3.066 1.00 34.34 H new ATOM 0 HD22 LEU A 45 -7.876 -6.125 4.276 1.00 34.34 H new ATOM 0 HD23 LEU A 45 -7.963 -6.517 2.543 1.00 34.34 H new ATOM 484 N ALA A 46 -12.294 -7.825 1.334 1.00 24.50 N ATOM 485 CA ALA A 46 -12.727 -7.765 -0.060 1.00 2.34 C ATOM 486 C ALA A 46 -14.210 -7.439 -0.141 1.00 32.24 C ATOM 487 O ALA A 46 -14.669 -6.746 -1.057 1.00 24.14 O ATOM 488 CB ALA A 46 -12.435 -9.078 -0.773 1.00 11.35 C ATOM 0 H ALA A 46 -11.938 -8.737 1.619 1.00 24.50 H new ATOM 0 HA ALA A 46 -12.167 -6.973 -0.557 1.00 2.34 H new ATOM 0 HB1 ALA A 46 -12.766 -9.011 -1.809 1.00 11.35 H new ATOM 0 HB2 ALA A 46 -11.364 -9.276 -0.746 1.00 11.35 H new ATOM 0 HB3 ALA A 46 -12.966 -9.889 -0.275 1.00 11.35 H new ATOM 494 N HIS A 47 -14.942 -7.917 0.839 1.00 12.50 N ATOM 495 CA HIS A 47 -16.364 -7.669 0.917 1.00 53.02 C ATOM 496 C HIS A 47 -16.615 -6.241 1.425 1.00 0.54 C ATOM 497 O HIS A 47 -17.578 -5.587 1.014 1.00 1.15 O ATOM 498 CB HIS A 47 -17.037 -8.713 1.830 1.00 34.54 C ATOM 499 CG HIS A 47 -18.541 -8.689 1.817 1.00 41.45 C ATOM 500 ND1 HIS A 47 -19.324 -8.813 2.944 1.00 43.20 N ATOM 501 CD2 HIS A 47 -19.403 -8.606 0.772 1.00 5.24 C ATOM 502 CE1 HIS A 47 -20.600 -8.805 2.566 1.00 2.14 C ATOM 503 NE2 HIS A 47 -20.709 -8.681 1.249 1.00 11.14 N ATOM 0 H HIS A 47 -14.572 -8.485 1.601 1.00 12.50 H new ATOM 0 HA HIS A 47 -16.803 -7.761 -0.077 1.00 53.02 H new ATOM 0 HB2 HIS A 47 -16.701 -9.706 1.531 1.00 34.54 H new ATOM 0 HB3 HIS A 47 -16.694 -8.555 2.853 1.00 34.54 H new ATOM 0 HD2 HIS A 47 -19.121 -8.499 -0.265 1.00 5.24 H new ATOM 0 HE1 HIS A 47 -21.438 -8.889 3.243 1.00 2.14 H new ATOM 0 HE2 HIS A 47 -21.569 -8.648 0.701 1.00 11.14 H new ATOM 511 N PHE A 48 -15.726 -5.747 2.284 1.00 13.22 N ATOM 512 CA PHE A 48 -15.840 -4.429 2.831 1.00 11.32 C ATOM 513 C PHE A 48 -15.601 -3.404 1.748 1.00 32.50 C ATOM 514 O PHE A 48 -16.393 -2.487 1.568 1.00 73.22 O ATOM 515 CB PHE A 48 -14.830 -4.232 3.968 1.00 61.10 C ATOM 516 CG PHE A 48 -14.861 -2.856 4.561 1.00 44.53 C ATOM 517 CD1 PHE A 48 -15.743 -2.554 5.567 1.00 41.22 C ATOM 518 CD2 PHE A 48 -14.018 -1.870 4.089 1.00 41.11 C ATOM 519 CE1 PHE A 48 -15.797 -1.284 6.108 1.00 20.32 C ATOM 520 CE2 PHE A 48 -14.056 -0.595 4.619 1.00 30.32 C ATOM 521 CZ PHE A 48 -14.950 -0.300 5.631 1.00 13.44 C ATOM 0 H PHE A 48 -14.910 -6.264 2.611 1.00 13.22 H new ATOM 0 HA PHE A 48 -16.845 -4.302 3.232 1.00 11.32 H new ATOM 0 HB2 PHE A 48 -15.030 -4.962 4.752 1.00 61.10 H new ATOM 0 HB3 PHE A 48 -13.827 -4.435 3.592 1.00 61.10 H new ATOM 0 HD1 PHE A 48 -16.405 -3.320 5.942 1.00 41.22 H new ATOM 0 HD2 PHE A 48 -13.321 -2.098 3.296 1.00 41.11 H new ATOM 0 HE1 PHE A 48 -16.497 -1.061 6.899 1.00 20.32 H new ATOM 0 HE2 PHE A 48 -13.390 0.168 4.244 1.00 30.32 H new ATOM 0 HZ PHE A 48 -14.987 0.696 6.048 1.00 13.44 H new ATOM 531 N LEU A 49 -14.545 -3.609 0.989 1.00 64.14 N ATOM 532 CA LEU A 49 -14.138 -2.673 -0.046 1.00 23.44 C ATOM 533 C LEU A 49 -15.058 -2.715 -1.260 1.00 31.14 C ATOM 534 O LEU A 49 -14.852 -1.974 -2.201 1.00 41.05 O ATOM 535 CB LEU A 49 -12.665 -2.902 -0.431 1.00 41.11 C ATOM 536 CG LEU A 49 -12.306 -4.266 -1.030 1.00 65.13 C ATOM 537 CD1 LEU A 49 -12.632 -4.355 -2.515 1.00 60.43 C ATOM 538 CD2 LEU A 49 -10.869 -4.601 -0.763 1.00 42.40 C ATOM 0 H LEU A 49 -13.943 -4.428 1.070 1.00 64.14 H new ATOM 0 HA LEU A 49 -14.228 -1.667 0.364 1.00 23.44 H new ATOM 0 HB2 LEU A 49 -12.378 -2.132 -1.147 1.00 41.11 H new ATOM 0 HB3 LEU A 49 -12.055 -2.752 0.460 1.00 41.11 H new ATOM 0 HG LEU A 49 -12.929 -5.010 -0.534 1.00 65.13 H new ATOM 0 HD11 LEU A 49 -12.358 -5.341 -2.889 1.00 60.43 H new ATOM 0 HD12 LEU A 49 -13.700 -4.194 -2.663 1.00 60.43 H new ATOM 0 HD13 LEU A 49 -12.072 -3.593 -3.057 1.00 60.43 H new ATOM 0 HD21 LEU A 49 -10.635 -5.573 -1.197 1.00 42.40 H new ATOM 0 HD22 LEU A 49 -10.229 -3.841 -1.211 1.00 42.40 H new ATOM 0 HD23 LEU A 49 -10.697 -4.633 0.313 1.00 42.40 H new ATOM 550 N GLY A 50 -16.041 -3.614 -1.223 1.00 0.43 N ATOM 551 CA GLY A 50 -17.060 -3.735 -2.272 1.00 70.31 C ATOM 552 C GLY A 50 -17.530 -2.376 -2.817 1.00 63.24 C ATOM 553 O GLY A 50 -17.245 -2.042 -3.972 1.00 21.15 O ATOM 0 H GLY A 50 -16.156 -4.283 -0.462 1.00 0.43 H new ATOM 0 HA2 GLY A 50 -16.659 -4.330 -3.093 1.00 70.31 H new ATOM 0 HA3 GLY A 50 -17.918 -4.277 -1.875 1.00 70.31 H new ATOM 557 N PRO A 51 -18.226 -1.562 -2.009 1.00 61.35 N ATOM 558 CA PRO A 51 -18.664 -0.220 -2.416 1.00 64.53 C ATOM 559 C PRO A 51 -17.541 0.825 -2.345 1.00 54.33 C ATOM 560 O PRO A 51 -17.706 1.947 -2.801 1.00 23.35 O ATOM 561 CB PRO A 51 -19.741 0.140 -1.375 1.00 54.15 C ATOM 562 CG PRO A 51 -19.988 -1.106 -0.595 1.00 14.10 C ATOM 563 CD PRO A 51 -18.721 -1.889 -0.671 1.00 44.44 C ATOM 0 HA PRO A 51 -19.006 -0.221 -3.451 1.00 64.53 H new ATOM 0 HB2 PRO A 51 -19.402 0.947 -0.725 1.00 54.15 H new ATOM 0 HB3 PRO A 51 -20.654 0.484 -1.861 1.00 54.15 H new ATOM 0 HG2 PRO A 51 -20.244 -0.876 0.439 1.00 14.10 H new ATOM 0 HG3 PRO A 51 -20.822 -1.670 -1.012 1.00 14.10 H new ATOM 0 HD2 PRO A 51 -18.015 -1.595 0.106 1.00 44.44 H new ATOM 0 HD3 PRO A 51 -18.897 -2.958 -0.554 1.00 44.44 H new ATOM 571 N HIS A 52 -16.396 0.434 -1.818 1.00 35.40 N ATOM 572 CA HIS A 52 -15.306 1.369 -1.546 1.00 74.24 C ATOM 573 C HIS A 52 -14.156 1.105 -2.499 1.00 32.01 C ATOM 574 O HIS A 52 -13.020 1.437 -2.198 1.00 13.52 O ATOM 575 CB HIS A 52 -14.820 1.215 -0.083 1.00 14.30 C ATOM 576 CG HIS A 52 -15.880 1.432 0.979 1.00 41.21 C ATOM 577 ND1 HIS A 52 -16.178 2.651 1.539 1.00 3.51 N ATOM 578 CD2 HIS A 52 -16.704 0.545 1.584 1.00 22.32 C ATOM 579 CE1 HIS A 52 -17.143 2.471 2.443 1.00 75.20 C ATOM 580 NE2 HIS A 52 -17.503 1.210 2.510 1.00 41.24 N ATOM 0 H HIS A 52 -16.190 -0.533 -1.566 1.00 35.40 H new ATOM 0 HA HIS A 52 -15.669 2.386 -1.691 1.00 74.24 H new ATOM 0 HB2 HIS A 52 -14.405 0.215 0.041 1.00 14.30 H new ATOM 0 HB3 HIS A 52 -14.008 1.921 0.089 1.00 14.30 H new ATOM 0 HD1 HIS A 52 -15.737 3.540 1.304 1.00 3.51 H new ATOM 0 HD2 HIS A 52 -16.737 -0.515 1.380 1.00 22.32 H new ATOM 0 HE1 HIS A 52 -17.572 3.260 3.042 1.00 75.20 H new ATOM 588 N ASP A 53 -14.492 0.518 -3.654 1.00 11.24 N ATOM 589 CA ASP A 53 -13.547 0.182 -4.725 1.00 31.23 C ATOM 590 C ASP A 53 -12.754 1.409 -5.197 1.00 74.24 C ATOM 591 O ASP A 53 -13.325 2.354 -5.771 1.00 75.31 O ATOM 592 CB ASP A 53 -14.327 -0.450 -5.899 1.00 61.14 C ATOM 593 CG ASP A 53 -13.544 -0.530 -7.200 1.00 33.34 C ATOM 594 OD1 ASP A 53 -12.580 -1.296 -7.295 1.00 74.33 O ATOM 595 OD2 ASP A 53 -13.930 0.170 -8.166 1.00 21.20 O ATOM 0 H ASP A 53 -15.453 0.257 -3.875 1.00 11.24 H new ATOM 0 HA ASP A 53 -12.819 -0.530 -4.337 1.00 31.23 H new ATOM 0 HB2 ASP A 53 -14.638 -1.455 -5.614 1.00 61.14 H new ATOM 0 HB3 ASP A 53 -15.235 0.129 -6.070 1.00 61.14 H new ATOM 600 N PRO A 54 -11.451 1.453 -4.880 1.00 45.41 N ATOM 601 CA PRO A 54 -10.555 2.508 -5.278 1.00 31.42 C ATOM 602 C PRO A 54 -9.497 1.976 -6.276 1.00 3.50 C ATOM 603 O PRO A 54 -9.766 1.065 -7.071 1.00 63.41 O ATOM 604 CB PRO A 54 -9.893 2.779 -3.925 1.00 73.32 C ATOM 605 CG PRO A 54 -9.733 1.409 -3.305 1.00 55.30 C ATOM 606 CD PRO A 54 -10.731 0.501 -4.010 1.00 21.20 C ATOM 0 HA PRO A 54 -11.024 3.362 -5.768 1.00 31.42 H new ATOM 0 HB2 PRO A 54 -8.930 3.276 -4.046 1.00 73.32 H new ATOM 0 HB3 PRO A 54 -10.510 3.427 -3.303 1.00 73.32 H new ATOM 0 HG2 PRO A 54 -8.715 1.041 -3.433 1.00 55.30 H new ATOM 0 HG3 PRO A 54 -9.928 1.442 -2.233 1.00 55.30 H new ATOM 0 HD2 PRO A 54 -10.235 -0.282 -4.584 1.00 21.20 H new ATOM 0 HD3 PRO A 54 -11.400 0.005 -3.306 1.00 21.20 H new ATOM 614 N GLU A 55 -8.318 2.557 -6.248 1.00 71.33 N ATOM 615 CA GLU A 55 -7.221 2.043 -7.007 1.00 13.23 C ATOM 616 C GLU A 55 -6.453 1.090 -6.128 1.00 63.14 C ATOM 617 O GLU A 55 -5.974 1.478 -5.051 1.00 21.33 O ATOM 618 CB GLU A 55 -6.327 3.167 -7.520 1.00 25.21 C ATOM 619 CG GLU A 55 -6.998 4.056 -8.547 1.00 22.21 C ATOM 620 CD GLU A 55 -6.094 5.144 -9.052 1.00 32.40 C ATOM 621 OE1 GLU A 55 -5.243 4.874 -9.941 1.00 74.43 O ATOM 622 OE2 GLU A 55 -6.212 6.297 -8.586 1.00 31.11 O ATOM 0 H GLU A 55 -8.103 3.391 -5.701 1.00 71.33 H new ATOM 0 HA GLU A 55 -7.593 1.518 -7.887 1.00 13.23 H new ATOM 0 HB2 GLU A 55 -6.007 3.779 -6.677 1.00 25.21 H new ATOM 0 HB3 GLU A 55 -5.428 2.733 -7.959 1.00 25.21 H new ATOM 0 HG2 GLU A 55 -7.330 3.446 -9.387 1.00 22.21 H new ATOM 0 HG3 GLU A 55 -7.889 4.505 -8.107 1.00 22.21 H new ATOM 629 N ILE A 56 -6.379 -0.144 -6.541 1.00 63.32 N ATOM 630 CA ILE A 56 -5.704 -1.154 -5.792 1.00 35.24 C ATOM 631 C ILE A 56 -4.373 -1.344 -6.438 1.00 74.53 C ATOM 632 O ILE A 56 -4.303 -1.749 -7.542 1.00 53.02 O ATOM 633 CB ILE A 56 -6.486 -2.495 -5.848 1.00 23.24 C ATOM 634 CG1 ILE A 56 -7.901 -2.326 -5.270 1.00 14.42 C ATOM 635 CG2 ILE A 56 -5.722 -3.569 -5.087 1.00 14.31 C ATOM 636 CD1 ILE A 56 -8.863 -3.447 -5.623 1.00 20.22 C ATOM 0 H ILE A 56 -6.790 -0.475 -7.414 1.00 63.32 H new ATOM 0 HA ILE A 56 -5.616 -0.857 -4.747 1.00 35.24 H new ATOM 0 HB ILE A 56 -6.583 -2.801 -6.890 1.00 23.24 H new ATOM 0 HG12 ILE A 56 -7.830 -2.253 -4.185 1.00 14.42 H new ATOM 0 HG13 ILE A 56 -8.315 -1.383 -5.626 1.00 14.42 H new ATOM 0 HG21 ILE A 56 -6.275 -4.508 -5.129 1.00 14.31 H new ATOM 0 HG22 ILE A 56 -4.739 -3.706 -5.539 1.00 14.31 H new ATOM 0 HG23 ILE A 56 -5.604 -3.264 -4.047 1.00 14.31 H new ATOM 0 HD11 ILE A 56 -9.836 -3.246 -5.174 1.00 20.22 H new ATOM 0 HD12 ILE A 56 -8.968 -3.508 -6.706 1.00 20.22 H new ATOM 0 HD13 ILE A 56 -8.476 -4.392 -5.242 1.00 20.22 H new ATOM 648 N TYR A 57 -3.346 -1.001 -5.796 1.00 42.30 N ATOM 649 CA TYR A 57 -2.063 -1.158 -6.379 1.00 65.44 C ATOM 650 C TYR A 57 -1.452 -2.403 -5.883 1.00 45.11 C ATOM 651 O TYR A 57 -1.509 -2.675 -4.733 1.00 14.35 O ATOM 652 CB TYR A 57 -1.186 0.036 -6.074 1.00 24.44 C ATOM 653 CG TYR A 57 -1.700 1.307 -6.685 1.00 11.32 C ATOM 654 CD1 TYR A 57 -1.389 1.641 -7.985 1.00 14.41 C ATOM 655 CD2 TYR A 57 -2.498 2.177 -5.959 1.00 0.43 C ATOM 656 CE1 TYR A 57 -1.853 2.809 -8.547 1.00 52.51 C ATOM 657 CE2 TYR A 57 -2.965 3.339 -6.520 1.00 2.51 C ATOM 658 CZ TYR A 57 -2.638 3.649 -7.808 1.00 54.13 C ATOM 659 OH TYR A 57 -3.080 4.825 -8.350 1.00 32.03 O ATOM 0 H TYR A 57 -3.351 -0.604 -4.856 1.00 42.30 H new ATOM 0 HA TYR A 57 -2.165 -1.221 -7.462 1.00 65.44 H new ATOM 0 HB2 TYR A 57 -1.113 0.161 -4.994 1.00 24.44 H new ATOM 0 HB3 TYR A 57 -0.178 -0.156 -6.441 1.00 24.44 H new ATOM 0 HD1 TYR A 57 -0.772 0.977 -8.572 1.00 14.41 H new ATOM 0 HD2 TYR A 57 -2.756 1.937 -4.938 1.00 0.43 H new ATOM 0 HE1 TYR A 57 -1.598 3.060 -9.566 1.00 52.51 H new ATOM 0 HE2 TYR A 57 -3.589 4.006 -5.944 1.00 2.51 H new ATOM 0 HH TYR A 57 -3.621 4.636 -9.145 1.00 32.03 H new ATOM 669 N VAL A 58 -0.916 -3.170 -6.751 1.00 14.00 N ATOM 670 CA VAL A 58 -0.247 -4.383 -6.382 1.00 62.43 C ATOM 671 C VAL A 58 1.102 -4.357 -7.018 1.00 11.01 C ATOM 672 O VAL A 58 1.217 -4.275 -8.239 1.00 5.22 O ATOM 673 CB VAL A 58 -1.046 -5.649 -6.779 1.00 64.31 C ATOM 674 CG1 VAL A 58 -0.206 -6.918 -6.660 1.00 75.32 C ATOM 675 CG2 VAL A 58 -2.286 -5.787 -5.917 1.00 22.35 C ATOM 0 H VAL A 58 -0.922 -2.983 -7.754 1.00 14.00 H new ATOM 0 HA VAL A 58 -0.157 -4.436 -5.297 1.00 62.43 H new ATOM 0 HB VAL A 58 -1.333 -5.528 -7.823 1.00 64.31 H new ATOM 0 HG11 VAL A 58 -0.807 -7.780 -6.948 1.00 75.32 H new ATOM 0 HG12 VAL A 58 0.661 -6.844 -7.317 1.00 75.32 H new ATOM 0 HG13 VAL A 58 0.129 -7.037 -5.630 1.00 75.32 H new ATOM 0 HG21 VAL A 58 -2.835 -6.682 -6.210 1.00 22.35 H new ATOM 0 HG22 VAL A 58 -1.994 -5.867 -4.870 1.00 22.35 H new ATOM 0 HG23 VAL A 58 -2.921 -4.911 -6.051 1.00 22.35 H new ATOM 685 N ASN A 59 2.110 -4.301 -6.167 1.00 42.41 N ATOM 686 CA ASN A 59 3.529 -4.197 -6.546 1.00 52.53 C ATOM 687 C ASN A 59 3.790 -2.889 -7.276 1.00 53.51 C ATOM 688 O ASN A 59 4.783 -2.730 -7.963 1.00 5.54 O ATOM 689 CB ASN A 59 3.977 -5.398 -7.397 1.00 34.33 C ATOM 690 CG ASN A 59 3.866 -6.715 -6.653 1.00 20.41 C ATOM 691 OD1 ASN A 59 4.010 -6.773 -5.417 1.00 75.24 O ATOM 692 ND2 ASN A 59 3.579 -7.759 -7.376 1.00 43.43 N ATOM 0 H ASN A 59 1.971 -4.327 -5.157 1.00 42.41 H new ATOM 0 HA ASN A 59 4.120 -4.208 -5.630 1.00 52.53 H new ATOM 0 HB2 ASN A 59 3.370 -5.444 -8.301 1.00 34.33 H new ATOM 0 HB3 ASN A 59 5.010 -5.250 -7.713 1.00 34.33 H new ATOM 0 HD21 ASN A 59 3.463 -8.670 -6.933 1.00 43.43 H new ATOM 0 HD22 ASN A 59 3.470 -7.666 -8.386 1.00 43.43 H new ATOM 699 N GLY A 60 2.894 -1.933 -7.079 1.00 43.01 N ATOM 700 CA GLY A 60 3.011 -0.649 -7.730 1.00 14.14 C ATOM 701 C GLY A 60 2.195 -0.575 -9.008 1.00 22.42 C ATOM 702 O GLY A 60 2.111 0.475 -9.639 1.00 21.52 O ATOM 0 H GLY A 60 2.080 -2.028 -6.472 1.00 43.01 H new ATOM 0 HA2 GLY A 60 2.683 0.134 -7.046 1.00 14.14 H new ATOM 0 HA3 GLY A 60 4.059 -0.454 -7.959 1.00 14.14 H new ATOM 706 N LYS A 61 1.570 -1.674 -9.370 1.00 4.41 N ATOM 707 CA LYS A 61 0.794 -1.749 -10.572 1.00 3.44 C ATOM 708 C LYS A 61 -0.650 -1.561 -10.230 1.00 53.33 C ATOM 709 O LYS A 61 -1.141 -2.151 -9.269 1.00 63.35 O ATOM 710 CB LYS A 61 1.038 -3.080 -11.296 1.00 50.12 C ATOM 711 CG LYS A 61 2.470 -3.275 -11.779 1.00 54.42 C ATOM 712 CD LYS A 61 2.850 -2.187 -12.763 1.00 64.44 C ATOM 713 CE LYS A 61 4.254 -2.340 -13.283 1.00 55.40 C ATOM 714 NZ LYS A 61 4.601 -1.245 -14.207 1.00 3.33 N ATOM 0 H LYS A 61 1.591 -2.540 -8.832 1.00 4.41 H new ATOM 0 HA LYS A 61 1.098 -0.957 -11.257 1.00 3.44 H new ATOM 0 HB2 LYS A 61 0.778 -3.899 -10.625 1.00 50.12 H new ATOM 0 HB3 LYS A 61 0.366 -3.144 -12.152 1.00 50.12 H new ATOM 0 HG2 LYS A 61 3.152 -3.259 -10.929 1.00 54.42 H new ATOM 0 HG3 LYS A 61 2.571 -4.252 -12.251 1.00 54.42 H new ATOM 0 HD2 LYS A 61 2.153 -2.201 -13.601 1.00 64.44 H new ATOM 0 HD3 LYS A 61 2.749 -1.215 -12.280 1.00 64.44 H new ATOM 0 HE2 LYS A 61 4.955 -2.351 -12.448 1.00 55.40 H new ATOM 0 HE3 LYS A 61 4.353 -3.297 -13.795 1.00 55.40 H new ATOM 0 HZ1 LYS A 61 5.574 -1.376 -14.550 1.00 3.33 H new ATOM 0 HZ2 LYS A 61 3.945 -1.251 -15.014 1.00 3.33 H new ATOM 0 HZ3 LYS A 61 4.529 -0.335 -13.709 1.00 3.33 H new ATOM 728 N ILE A 62 -1.309 -0.727 -10.977 1.00 4.23 N ATOM 729 CA ILE A 62 -2.676 -0.386 -10.708 1.00 25.32 C ATOM 730 C ILE A 62 -3.597 -1.569 -11.092 1.00 4.11 C ATOM 731 O ILE A 62 -3.528 -2.126 -12.194 1.00 51.04 O ATOM 732 CB ILE A 62 -3.068 0.973 -11.420 1.00 70.42 C ATOM 733 CG1 ILE A 62 -4.272 1.696 -10.748 1.00 22.51 C ATOM 734 CG2 ILE A 62 -3.313 0.792 -12.910 1.00 5.42 C ATOM 735 CD1 ILE A 62 -5.599 0.990 -10.807 1.00 22.43 C ATOM 0 H ILE A 62 -0.913 -0.261 -11.794 1.00 4.23 H new ATOM 0 HA ILE A 62 -2.809 -0.212 -9.640 1.00 25.32 H new ATOM 0 HB ILE A 62 -2.200 1.621 -11.296 1.00 70.42 H new ATOM 0 HG12 ILE A 62 -4.024 1.869 -9.701 1.00 22.51 H new ATOM 0 HG13 ILE A 62 -4.386 2.675 -11.215 1.00 22.51 H new ATOM 0 HG21 ILE A 62 -3.579 1.751 -13.354 1.00 5.42 H new ATOM 0 HG22 ILE A 62 -2.408 0.411 -13.384 1.00 5.42 H new ATOM 0 HG23 ILE A 62 -4.128 0.084 -13.061 1.00 5.42 H new ATOM 0 HD11 ILE A 62 -6.355 1.594 -10.305 1.00 22.43 H new ATOM 0 HD12 ILE A 62 -5.886 0.841 -11.848 1.00 22.43 H new ATOM 0 HD13 ILE A 62 -5.519 0.023 -10.311 1.00 22.43 H new ATOM 747 N GLN A 63 -4.375 -1.980 -10.154 1.00 62.22 N ATOM 748 CA GLN A 63 -5.286 -3.066 -10.302 1.00 24.44 C ATOM 749 C GLN A 63 -6.679 -2.585 -9.945 1.00 15.35 C ATOM 750 O GLN A 63 -6.854 -1.679 -9.087 1.00 23.21 O ATOM 751 CB GLN A 63 -4.935 -4.215 -9.341 1.00 32.25 C ATOM 752 CG GLN A 63 -3.479 -4.646 -9.319 1.00 63.30 C ATOM 753 CD GLN A 63 -2.930 -5.085 -10.655 1.00 2.42 C ATOM 754 OE1 GLN A 63 -3.649 -5.592 -11.530 1.00 62.04 O ATOM 755 NE2 GLN A 63 -1.652 -4.915 -10.818 1.00 41.03 N ATOM 0 H GLN A 63 -4.397 -1.555 -9.227 1.00 62.22 H new ATOM 0 HA GLN A 63 -5.231 -3.421 -11.331 1.00 24.44 H new ATOM 0 HB2 GLN A 63 -5.220 -3.918 -8.332 1.00 32.25 H new ATOM 0 HB3 GLN A 63 -5.545 -5.080 -9.603 1.00 32.25 H new ATOM 0 HG2 GLN A 63 -2.875 -3.818 -8.948 1.00 63.30 H new ATOM 0 HG3 GLN A 63 -3.368 -5.465 -8.609 1.00 63.30 H new ATOM 0 HE21 GLN A 63 -1.095 -4.494 -10.075 1.00 41.03 H new ATOM 0 HE22 GLN A 63 -1.206 -5.202 -11.689 1.00 41.03 H new ATOM 764 N THR A 64 -7.649 -3.152 -10.592 1.00 15.32 N ATOM 765 CA THR A 64 -9.015 -2.890 -10.263 1.00 22.31 C ATOM 766 C THR A 64 -9.479 -3.994 -9.305 1.00 64.14 C ATOM 767 O THR A 64 -8.730 -4.975 -9.076 1.00 51.40 O ATOM 768 CB THR A 64 -9.919 -2.803 -11.542 1.00 74.45 C ATOM 769 OG1 THR A 64 -11.264 -2.430 -11.191 1.00 25.14 O ATOM 770 CG2 THR A 64 -9.946 -4.124 -12.298 1.00 41.12 C ATOM 0 H THR A 64 -7.517 -3.808 -11.362 1.00 15.32 H new ATOM 0 HA THR A 64 -9.103 -1.917 -9.780 1.00 22.31 H new ATOM 0 HB THR A 64 -9.487 -2.040 -12.189 1.00 74.45 H new ATOM 0 HG1 THR A 64 -11.812 -2.379 -12.002 1.00 25.14 H new ATOM 0 HG21 THR A 64 -10.582 -4.027 -13.178 1.00 41.12 H new ATOM 0 HG22 THR A 64 -8.935 -4.386 -12.608 1.00 41.12 H new ATOM 0 HG23 THR A 64 -10.341 -4.906 -11.650 1.00 41.12 H new ATOM 778 N THR A 65 -10.674 -3.845 -8.755 1.00 50.52 N ATOM 779 CA THR A 65 -11.227 -4.778 -7.800 1.00 73.52 C ATOM 780 C THR A 65 -11.235 -6.224 -8.319 1.00 12.21 C ATOM 781 O THR A 65 -10.983 -7.148 -7.557 1.00 23.34 O ATOM 782 CB THR A 65 -12.639 -4.340 -7.305 1.00 71.42 C ATOM 783 OG1 THR A 65 -13.146 -5.283 -6.366 1.00 65.12 O ATOM 784 CG2 THR A 65 -13.621 -4.198 -8.460 1.00 13.31 C ATOM 0 H THR A 65 -11.291 -3.061 -8.966 1.00 50.52 H new ATOM 0 HA THR A 65 -10.559 -4.760 -6.939 1.00 73.52 H new ATOM 0 HB THR A 65 -12.530 -3.366 -6.828 1.00 71.42 H new ATOM 0 HG1 THR A 65 -14.032 -4.997 -6.061 1.00 65.12 H new ATOM 0 HG21 THR A 65 -14.594 -3.892 -8.075 1.00 13.31 H new ATOM 0 HG22 THR A 65 -13.254 -3.446 -9.159 1.00 13.31 H new ATOM 0 HG23 THR A 65 -13.719 -5.154 -8.974 1.00 13.31 H new ATOM 792 N THR A 66 -11.455 -6.408 -9.622 1.00 63.35 N ATOM 793 CA THR A 66 -11.468 -7.742 -10.194 1.00 22.50 C ATOM 794 C THR A 66 -10.083 -8.385 -10.098 1.00 44.31 C ATOM 795 O THR A 66 -9.962 -9.492 -9.620 1.00 74.14 O ATOM 796 CB THR A 66 -11.975 -7.744 -11.652 1.00 65.33 C ATOM 797 OG1 THR A 66 -13.291 -7.153 -11.689 1.00 45.34 O ATOM 798 CG2 THR A 66 -12.042 -9.173 -12.215 1.00 51.34 C ATOM 0 H THR A 66 -11.624 -5.655 -10.289 1.00 63.35 H new ATOM 0 HA THR A 66 -12.169 -8.338 -9.610 1.00 22.50 H new ATOM 0 HB THR A 66 -11.280 -7.169 -12.264 1.00 65.33 H new ATOM 0 HG1 THR A 66 -13.622 -7.148 -12.612 1.00 45.34 H new ATOM 0 HG21 THR A 66 -12.402 -9.142 -13.243 1.00 51.34 H new ATOM 0 HG22 THR A 66 -11.048 -9.620 -12.192 1.00 51.34 H new ATOM 0 HG23 THR A 66 -12.723 -9.771 -11.609 1.00 51.34 H new ATOM 806 N ALA A 67 -9.049 -7.650 -10.501 1.00 31.03 N ATOM 807 CA ALA A 67 -7.674 -8.127 -10.440 1.00 21.34 C ATOM 808 C ALA A 67 -7.301 -8.470 -9.005 1.00 31.24 C ATOM 809 O ALA A 67 -6.735 -9.522 -8.750 1.00 64.31 O ATOM 810 CB ALA A 67 -6.731 -7.090 -11.011 1.00 75.50 C ATOM 0 H ALA A 67 -9.143 -6.707 -10.879 1.00 31.03 H new ATOM 0 HA ALA A 67 -7.587 -9.032 -11.042 1.00 21.34 H new ATOM 0 HB1 ALA A 67 -5.707 -7.461 -10.958 1.00 75.50 H new ATOM 0 HB2 ALA A 67 -6.993 -6.893 -12.051 1.00 75.50 H new ATOM 0 HB3 ALA A 67 -6.813 -6.168 -10.436 1.00 75.50 H new ATOM 816 N PHE A 68 -7.647 -7.581 -8.079 1.00 12.40 N ATOM 817 CA PHE A 68 -7.461 -7.824 -6.642 1.00 40.35 C ATOM 818 C PHE A 68 -8.126 -9.130 -6.245 1.00 43.33 C ATOM 819 O PHE A 68 -7.490 -10.020 -5.674 1.00 53.14 O ATOM 820 CB PHE A 68 -8.079 -6.671 -5.858 1.00 13.30 C ATOM 821 CG PHE A 68 -8.212 -6.890 -4.366 1.00 52.14 C ATOM 822 CD1 PHE A 68 -9.411 -7.340 -3.825 1.00 1.04 C ATOM 823 CD2 PHE A 68 -7.157 -6.655 -3.517 1.00 2.43 C ATOM 824 CE1 PHE A 68 -9.541 -7.554 -2.473 1.00 44.23 C ATOM 825 CE2 PHE A 68 -7.285 -6.867 -2.157 1.00 75.54 C ATOM 826 CZ PHE A 68 -8.476 -7.319 -1.635 1.00 12.44 C ATOM 0 H PHE A 68 -8.062 -6.675 -8.296 1.00 12.40 H new ATOM 0 HA PHE A 68 -6.396 -7.891 -6.420 1.00 40.35 H new ATOM 0 HB2 PHE A 68 -7.476 -5.778 -6.023 1.00 13.30 H new ATOM 0 HB3 PHE A 68 -9.069 -6.467 -6.267 1.00 13.30 H new ATOM 0 HD1 PHE A 68 -10.253 -7.524 -4.476 1.00 1.04 H new ATOM 0 HD2 PHE A 68 -6.218 -6.301 -3.917 1.00 2.43 H new ATOM 0 HE1 PHE A 68 -10.479 -7.906 -2.069 1.00 44.23 H new ATOM 0 HE2 PHE A 68 -6.448 -6.677 -1.502 1.00 75.54 H new ATOM 0 HZ PHE A 68 -8.574 -7.488 -0.573 1.00 12.44 H new ATOM 836 N LEU A 69 -9.405 -9.211 -6.545 1.00 22.23 N ATOM 837 CA LEU A 69 -10.230 -10.408 -6.292 1.00 64.24 C ATOM 838 C LEU A 69 -9.560 -11.676 -6.882 1.00 53.31 C ATOM 839 O LEU A 69 -9.553 -12.741 -6.250 1.00 40.44 O ATOM 840 CB LEU A 69 -11.673 -10.165 -6.852 1.00 60.32 C ATOM 841 CG LEU A 69 -12.812 -11.174 -6.525 1.00 41.32 C ATOM 842 CD1 LEU A 69 -12.665 -12.498 -7.264 1.00 71.24 C ATOM 843 CD2 LEU A 69 -12.917 -11.402 -5.023 1.00 71.33 C ATOM 0 H LEU A 69 -9.922 -8.446 -6.978 1.00 22.23 H new ATOM 0 HA LEU A 69 -10.313 -10.583 -5.219 1.00 64.24 H new ATOM 0 HB2 LEU A 69 -11.997 -9.185 -6.501 1.00 60.32 H new ATOM 0 HB3 LEU A 69 -11.594 -10.105 -7.937 1.00 60.32 H new ATOM 0 HG LEU A 69 -13.738 -10.722 -6.880 1.00 41.32 H new ATOM 0 HD11 LEU A 69 -13.489 -13.159 -6.994 1.00 71.24 H new ATOM 0 HD12 LEU A 69 -12.681 -12.318 -8.339 1.00 71.24 H new ATOM 0 HD13 LEU A 69 -11.720 -12.966 -6.988 1.00 71.24 H new ATOM 0 HD21 LEU A 69 -13.719 -12.111 -4.818 1.00 71.33 H new ATOM 0 HD22 LEU A 69 -11.975 -11.803 -4.649 1.00 71.33 H new ATOM 0 HD23 LEU A 69 -13.132 -10.456 -4.526 1.00 71.33 H new ATOM 855 N GLN A 70 -8.979 -11.543 -8.055 1.00 25.40 N ATOM 856 CA GLN A 70 -8.274 -12.615 -8.708 1.00 40.10 C ATOM 857 C GLN A 70 -7.056 -13.048 -7.905 1.00 21.31 C ATOM 858 O GLN A 70 -6.884 -14.229 -7.635 1.00 43.40 O ATOM 859 CB GLN A 70 -7.875 -12.200 -10.112 1.00 53.11 C ATOM 860 CG GLN A 70 -9.051 -12.001 -11.046 1.00 12.04 C ATOM 861 CD GLN A 70 -9.850 -13.262 -11.268 1.00 10.31 C ATOM 862 OE1 GLN A 70 -10.790 -13.561 -10.540 1.00 64.40 O ATOM 863 NE2 GLN A 70 -9.492 -14.000 -12.273 1.00 14.10 N ATOM 0 H GLN A 70 -8.986 -10.672 -8.586 1.00 25.40 H new ATOM 0 HA GLN A 70 -8.944 -13.472 -8.773 1.00 40.10 H new ATOM 0 HB2 GLN A 70 -7.304 -11.273 -10.059 1.00 53.11 H new ATOM 0 HB3 GLN A 70 -7.214 -12.958 -10.531 1.00 53.11 H new ATOM 0 HG2 GLN A 70 -9.705 -11.230 -10.638 1.00 12.04 H new ATOM 0 HG3 GLN A 70 -8.687 -11.635 -12.006 1.00 12.04 H new ATOM 0 HE21 GLN A 70 -8.704 -13.719 -12.857 1.00 14.10 H new ATOM 0 HE22 GLN A 70 -9.998 -14.861 -12.479 1.00 14.10 H new ATOM 872 N PHE A 71 -6.254 -12.093 -7.462 1.00 34.32 N ATOM 873 CA PHE A 71 -5.052 -12.409 -6.685 1.00 40.21 C ATOM 874 C PHE A 71 -5.453 -13.011 -5.338 1.00 21.12 C ATOM 875 O PHE A 71 -4.770 -13.882 -4.783 1.00 3.22 O ATOM 876 CB PHE A 71 -4.180 -11.166 -6.462 1.00 24.33 C ATOM 877 CG PHE A 71 -3.686 -10.494 -7.714 1.00 31.22 C ATOM 878 CD1 PHE A 71 -3.011 -11.209 -8.694 1.00 12.21 C ATOM 879 CD2 PHE A 71 -3.883 -9.138 -7.902 1.00 64.00 C ATOM 880 CE1 PHE A 71 -2.550 -10.582 -9.833 1.00 63.34 C ATOM 881 CE2 PHE A 71 -3.429 -8.506 -9.038 1.00 11.44 C ATOM 882 CZ PHE A 71 -2.763 -9.226 -10.007 1.00 32.14 C ATOM 0 H PHE A 71 -6.406 -11.097 -7.622 1.00 34.32 H new ATOM 0 HA PHE A 71 -4.464 -13.131 -7.252 1.00 40.21 H new ATOM 0 HB2 PHE A 71 -4.751 -10.441 -5.882 1.00 24.33 H new ATOM 0 HB3 PHE A 71 -3.318 -11.450 -5.858 1.00 24.33 H new ATOM 0 HD1 PHE A 71 -2.845 -12.268 -8.563 1.00 12.21 H new ATOM 0 HD2 PHE A 71 -4.401 -8.566 -7.146 1.00 64.00 H new ATOM 0 HE1 PHE A 71 -2.024 -11.148 -10.587 1.00 63.34 H new ATOM 0 HE2 PHE A 71 -3.595 -7.447 -9.170 1.00 11.44 H new ATOM 0 HZ PHE A 71 -2.408 -8.733 -10.900 1.00 32.14 H new ATOM 892 N PHE A 72 -6.572 -12.556 -4.841 1.00 12.32 N ATOM 893 CA PHE A 72 -7.163 -13.033 -3.625 1.00 33.14 C ATOM 894 C PHE A 72 -7.520 -14.517 -3.745 1.00 43.14 C ATOM 895 O PHE A 72 -7.033 -15.342 -2.966 1.00 11.52 O ATOM 896 CB PHE A 72 -8.388 -12.156 -3.307 1.00 52.33 C ATOM 897 CG PHE A 72 -9.349 -12.717 -2.321 1.00 2.23 C ATOM 898 CD1 PHE A 72 -10.471 -13.373 -2.771 1.00 34.31 C ATOM 899 CD2 PHE A 72 -9.144 -12.591 -0.968 1.00 14.54 C ATOM 900 CE1 PHE A 72 -11.381 -13.901 -1.900 1.00 13.42 C ATOM 901 CE2 PHE A 72 -10.054 -13.118 -0.075 1.00 13.14 C ATOM 902 CZ PHE A 72 -11.176 -13.775 -0.543 1.00 22.42 C ATOM 0 H PHE A 72 -7.114 -11.817 -5.289 1.00 12.32 H new ATOM 0 HA PHE A 72 -6.456 -12.956 -2.799 1.00 33.14 H new ATOM 0 HB2 PHE A 72 -8.035 -11.194 -2.935 1.00 52.33 H new ATOM 0 HB3 PHE A 72 -8.923 -11.962 -4.237 1.00 52.33 H new ATOM 0 HD1 PHE A 72 -10.636 -13.473 -3.834 1.00 34.31 H new ATOM 0 HD2 PHE A 72 -8.267 -12.077 -0.602 1.00 14.54 H new ATOM 0 HE1 PHE A 72 -12.256 -14.414 -2.272 1.00 13.42 H new ATOM 0 HE2 PHE A 72 -9.890 -13.017 0.988 1.00 13.14 H new ATOM 0 HZ PHE A 72 -11.891 -14.189 0.153 1.00 22.42 H new ATOM 912 N ARG A 73 -8.316 -14.854 -4.751 1.00 45.54 N ATOM 913 CA ARG A 73 -8.759 -16.220 -4.957 1.00 3.30 C ATOM 914 C ARG A 73 -7.614 -17.126 -5.392 1.00 62.44 C ATOM 915 O ARG A 73 -7.668 -18.344 -5.206 1.00 23.14 O ATOM 916 CB ARG A 73 -9.937 -16.292 -5.932 1.00 63.23 C ATOM 917 CG ARG A 73 -9.652 -15.786 -7.333 1.00 43.00 C ATOM 918 CD ARG A 73 -10.897 -15.837 -8.183 1.00 12.24 C ATOM 919 NE ARG A 73 -11.443 -17.195 -8.273 1.00 2.05 N ATOM 920 CZ ARG A 73 -12.741 -17.503 -8.153 1.00 4.04 C ATOM 921 NH1 ARG A 73 -13.638 -16.550 -7.950 1.00 40.33 N ATOM 922 NH2 ARG A 73 -13.138 -18.763 -8.253 1.00 60.23 N ATOM 0 H ARG A 73 -8.669 -14.191 -5.441 1.00 45.54 H new ATOM 0 HA ARG A 73 -9.113 -16.590 -3.995 1.00 3.30 H new ATOM 0 HB2 ARG A 73 -10.269 -17.328 -5.998 1.00 63.23 H new ATOM 0 HB3 ARG A 73 -10.766 -15.718 -5.518 1.00 63.23 H new ATOM 0 HG2 ARG A 73 -9.279 -14.763 -7.286 1.00 43.00 H new ATOM 0 HG3 ARG A 73 -8.868 -16.390 -7.791 1.00 43.00 H new ATOM 0 HD2 ARG A 73 -11.650 -15.170 -7.764 1.00 12.24 H new ATOM 0 HD3 ARG A 73 -10.668 -15.471 -9.184 1.00 12.24 H new ATOM 0 HE ARG A 73 -10.788 -17.959 -8.439 1.00 2.05 H new ATOM 0 HH11 ARG A 73 -13.342 -15.576 -7.884 1.00 40.33 H new ATOM 0 HH12 ARG A 73 -14.625 -16.790 -7.859 1.00 40.33 H new ATOM 0 HH21 ARG A 73 -12.455 -19.501 -8.422 1.00 60.23 H new ATOM 0 HH22 ARG A 73 -14.127 -18.995 -8.161 1.00 60.23 H new ATOM 936 N GLN A 74 -6.566 -16.533 -5.962 1.00 2.54 N ATOM 937 CA GLN A 74 -5.382 -17.295 -6.303 1.00 25.54 C ATOM 938 C GLN A 74 -4.575 -17.636 -5.053 1.00 32.51 C ATOM 939 O GLN A 74 -3.717 -18.506 -5.072 1.00 30.15 O ATOM 940 CB GLN A 74 -4.503 -16.608 -7.348 1.00 23.42 C ATOM 941 CG GLN A 74 -5.131 -16.520 -8.726 1.00 43.31 C ATOM 942 CD GLN A 74 -4.176 -15.969 -9.758 1.00 22.22 C ATOM 943 OE1 GLN A 74 -4.093 -14.760 -9.985 1.00 31.51 O ATOM 944 NE2 GLN A 74 -3.445 -16.842 -10.394 1.00 64.23 N ATOM 0 H GLN A 74 -6.519 -15.540 -6.192 1.00 2.54 H new ATOM 0 HA GLN A 74 -5.734 -18.220 -6.759 1.00 25.54 H new ATOM 0 HB2 GLN A 74 -4.267 -15.601 -7.003 1.00 23.42 H new ATOM 0 HB3 GLN A 74 -3.559 -17.148 -7.425 1.00 23.42 H new ATOM 0 HG2 GLN A 74 -5.464 -17.511 -9.035 1.00 43.31 H new ATOM 0 HG3 GLN A 74 -6.017 -15.886 -8.679 1.00 43.31 H new ATOM 0 HE21 GLN A 74 -3.538 -17.836 -10.183 1.00 64.23 H new ATOM 0 HE22 GLN A 74 -2.781 -16.531 -11.103 1.00 64.23 H new ATOM 953 N GLY A 75 -4.862 -16.944 -3.966 1.00 4.54 N ATOM 954 CA GLY A 75 -4.216 -17.250 -2.724 1.00 62.41 C ATOM 955 C GLY A 75 -3.082 -16.322 -2.390 1.00 61.24 C ATOM 956 O GLY A 75 -2.396 -16.522 -1.398 1.00 53.14 O ATOM 0 H GLY A 75 -5.532 -16.176 -3.927 1.00 4.54 H new ATOM 0 HA2 GLY A 75 -4.953 -17.212 -1.922 1.00 62.41 H new ATOM 0 HA3 GLY A 75 -3.839 -18.272 -2.763 1.00 62.41 H new ATOM 960 N LEU A 76 -2.916 -15.278 -3.171 1.00 61.43 N ATOM 961 CA LEU A 76 -1.816 -14.356 -2.960 1.00 45.12 C ATOM 962 C LEU A 76 -2.037 -13.539 -1.701 1.00 71.42 C ATOM 963 O LEU A 76 -1.141 -13.393 -0.875 1.00 52.31 O ATOM 964 CB LEU A 76 -1.603 -13.448 -4.177 1.00 40.35 C ATOM 965 CG LEU A 76 -1.356 -14.163 -5.523 1.00 60.00 C ATOM 966 CD1 LEU A 76 -0.965 -13.169 -6.596 1.00 72.03 C ATOM 967 CD2 LEU A 76 -0.304 -15.254 -5.396 1.00 22.34 C ATOM 0 H LEU A 76 -3.524 -15.044 -3.956 1.00 61.43 H new ATOM 0 HA LEU A 76 -0.907 -14.944 -2.830 1.00 45.12 H new ATOM 0 HB2 LEU A 76 -2.478 -12.807 -4.284 1.00 40.35 H new ATOM 0 HB3 LEU A 76 -0.754 -12.796 -3.974 1.00 40.35 H new ATOM 0 HG LEU A 76 -2.292 -14.640 -5.815 1.00 60.00 H new ATOM 0 HD11 LEU A 76 -0.796 -13.695 -7.535 1.00 72.03 H new ATOM 0 HD12 LEU A 76 -1.766 -12.441 -6.727 1.00 72.03 H new ATOM 0 HD13 LEU A 76 -0.051 -12.654 -6.299 1.00 72.03 H new ATOM 0 HD21 LEU A 76 -0.159 -15.734 -6.364 1.00 22.34 H new ATOM 0 HD22 LEU A 76 0.637 -14.815 -5.063 1.00 22.34 H new ATOM 0 HD23 LEU A 76 -0.635 -15.996 -4.670 1.00 22.34 H new ATOM 979 N PHE A 77 -3.259 -13.067 -1.511 1.00 73.13 N ATOM 980 CA PHE A 77 -3.568 -12.291 -0.324 1.00 33.51 C ATOM 981 C PHE A 77 -3.891 -13.192 0.845 1.00 23.40 C ATOM 982 O PHE A 77 -4.034 -12.744 1.961 1.00 1.24 O ATOM 983 CB PHE A 77 -4.677 -11.277 -0.573 1.00 32.22 C ATOM 984 CG PHE A 77 -4.339 -10.306 -1.661 1.00 12.53 C ATOM 985 CD1 PHE A 77 -3.161 -9.575 -1.619 1.00 35.33 C ATOM 986 CD2 PHE A 77 -5.190 -10.124 -2.720 1.00 23.04 C ATOM 987 CE1 PHE A 77 -2.852 -8.687 -2.621 1.00 61.21 C ATOM 988 CE2 PHE A 77 -4.889 -9.240 -3.721 1.00 12.00 C ATOM 989 CZ PHE A 77 -3.719 -8.519 -3.677 1.00 14.30 C ATOM 0 H PHE A 77 -4.040 -13.205 -2.152 1.00 73.13 H new ATOM 0 HA PHE A 77 -2.675 -11.721 -0.070 1.00 33.51 H new ATOM 0 HB2 PHE A 77 -5.594 -11.805 -0.835 1.00 32.22 H new ATOM 0 HB3 PHE A 77 -4.876 -10.729 0.348 1.00 32.22 H new ATOM 0 HD1 PHE A 77 -2.480 -9.705 -0.791 1.00 35.33 H new ATOM 0 HD2 PHE A 77 -6.111 -10.686 -2.765 1.00 23.04 H new ATOM 0 HE1 PHE A 77 -1.932 -8.123 -2.580 1.00 61.21 H new ATOM 0 HE2 PHE A 77 -5.572 -9.109 -4.547 1.00 12.00 H new ATOM 0 HZ PHE A 77 -3.481 -7.823 -4.468 1.00 14.30 H new ATOM 999 N LYS A 78 -3.934 -14.491 0.596 1.00 63.03 N ATOM 1000 CA LYS A 78 -4.155 -15.440 1.672 1.00 63.25 C ATOM 1001 C LYS A 78 -2.888 -15.558 2.514 1.00 23.25 C ATOM 1002 O LYS A 78 -2.892 -16.111 3.614 1.00 55.00 O ATOM 1003 CB LYS A 78 -4.610 -16.814 1.171 1.00 10.24 C ATOM 1004 CG LYS A 78 -5.966 -16.821 0.486 1.00 0.51 C ATOM 1005 CD LYS A 78 -6.381 -18.236 0.129 1.00 40.42 C ATOM 1006 CE LYS A 78 -7.691 -18.269 -0.637 1.00 32.44 C ATOM 1007 NZ LYS A 78 -8.154 -19.651 -0.872 1.00 14.12 N ATOM 0 H LYS A 78 -3.820 -14.907 -0.328 1.00 63.03 H new ATOM 0 HA LYS A 78 -4.971 -15.059 2.286 1.00 63.25 H new ATOM 0 HB2 LYS A 78 -3.864 -17.197 0.475 1.00 10.24 H new ATOM 0 HB3 LYS A 78 -4.641 -17.502 2.016 1.00 10.24 H new ATOM 0 HG2 LYS A 78 -6.712 -16.373 1.142 1.00 0.51 H new ATOM 0 HG3 LYS A 78 -5.926 -16.210 -0.416 1.00 0.51 H new ATOM 0 HD2 LYS A 78 -5.599 -18.703 -0.470 1.00 40.42 H new ATOM 0 HD3 LYS A 78 -6.479 -18.826 1.040 1.00 40.42 H new ATOM 0 HE2 LYS A 78 -8.451 -17.721 -0.081 1.00 32.44 H new ATOM 0 HE3 LYS A 78 -7.566 -17.760 -1.593 1.00 32.44 H new ATOM 0 HZ1 LYS A 78 -9.051 -19.632 -1.398 1.00 14.12 H new ATOM 0 HZ2 LYS A 78 -7.440 -20.167 -1.425 1.00 14.12 H new ATOM 0 HZ3 LYS A 78 -8.298 -20.129 0.040 1.00 14.12 H new ATOM 1021 N LYS A 79 -1.798 -15.054 1.970 1.00 60.03 N ATOM 1022 CA LYS A 79 -0.547 -15.011 2.683 1.00 4.00 C ATOM 1023 C LYS A 79 -0.523 -13.757 3.545 1.00 60.11 C ATOM 1024 O LYS A 79 0.047 -13.743 4.631 1.00 11.25 O ATOM 1025 CB LYS A 79 0.624 -14.942 1.700 1.00 40.54 C ATOM 1026 CG LYS A 79 0.583 -15.946 0.553 1.00 21.52 C ATOM 1027 CD LYS A 79 0.684 -17.383 1.016 1.00 74.55 C ATOM 1028 CE LYS A 79 0.695 -18.315 -0.183 1.00 61.32 C ATOM 1029 NZ LYS A 79 0.863 -19.719 0.199 1.00 45.43 N ATOM 0 H LYS A 79 -1.759 -14.666 1.027 1.00 60.03 H new ATOM 0 HA LYS A 79 -0.453 -15.909 3.294 1.00 4.00 H new ATOM 0 HB2 LYS A 79 0.662 -13.938 1.278 1.00 40.54 H new ATOM 0 HB3 LYS A 79 1.550 -15.090 2.255 1.00 40.54 H new ATOM 0 HG2 LYS A 79 -0.345 -15.815 -0.004 1.00 21.52 H new ATOM 0 HG3 LYS A 79 1.401 -15.735 -0.136 1.00 21.52 H new ATOM 0 HD2 LYS A 79 1.592 -17.522 1.603 1.00 74.55 H new ATOM 0 HD3 LYS A 79 -0.157 -17.624 1.667 1.00 74.55 H new ATOM 0 HE2 LYS A 79 -0.237 -18.201 -0.736 1.00 61.32 H new ATOM 0 HE3 LYS A 79 1.502 -18.026 -0.856 1.00 61.32 H new ATOM 0 HZ1 LYS A 79 0.864 -20.313 -0.654 1.00 45.43 H new ATOM 0 HZ2 LYS A 79 1.765 -19.836 0.703 1.00 45.43 H new ATOM 0 HZ3 LYS A 79 0.080 -20.006 0.820 1.00 45.43 H new ATOM 1043 N LEU A 80 -1.229 -12.746 3.073 1.00 73.30 N ATOM 1044 CA LEU A 80 -1.218 -11.418 3.656 1.00 33.52 C ATOM 1045 C LEU A 80 -2.211 -11.323 4.820 1.00 52.45 C ATOM 1046 O LEU A 80 -2.173 -10.399 5.585 1.00 33.05 O ATOM 1047 CB LEU A 80 -1.498 -10.381 2.512 1.00 61.21 C ATOM 1048 CG LEU A 80 -1.319 -8.860 2.791 1.00 40.13 C ATOM 1049 CD1 LEU A 80 -1.093 -8.133 1.476 1.00 72.41 C ATOM 1050 CD2 LEU A 80 -2.551 -8.260 3.458 1.00 24.35 C ATOM 0 H LEU A 80 -1.837 -12.827 2.258 1.00 73.30 H new ATOM 0 HA LEU A 80 -0.244 -11.193 4.090 1.00 33.52 H new ATOM 0 HB2 LEU A 80 -0.850 -10.637 1.674 1.00 61.21 H new ATOM 0 HB3 LEU A 80 -2.525 -10.533 2.179 1.00 61.21 H new ATOM 0 HG LEU A 80 -0.466 -8.744 3.460 1.00 40.13 H new ATOM 0 HD11 LEU A 80 -0.967 -7.067 1.666 1.00 72.41 H new ATOM 0 HD12 LEU A 80 -0.197 -8.524 0.994 1.00 72.41 H new ATOM 0 HD13 LEU A 80 -1.953 -8.286 0.823 1.00 72.41 H new ATOM 0 HD21 LEU A 80 -2.387 -7.197 3.636 1.00 24.35 H new ATOM 0 HD22 LEU A 80 -3.416 -8.390 2.808 1.00 24.35 H new ATOM 0 HD23 LEU A 80 -2.732 -8.763 4.408 1.00 24.35 H new ATOM 1062 N LYS A 81 -2.995 -12.374 5.019 1.00 51.43 N ATOM 1063 CA LYS A 81 -4.078 -12.375 6.051 1.00 11.43 C ATOM 1064 C LYS A 81 -3.517 -12.307 7.490 1.00 54.43 C ATOM 1065 O LYS A 81 -4.252 -12.133 8.461 1.00 74.35 O ATOM 1066 CB LYS A 81 -4.906 -13.645 5.920 1.00 44.13 C ATOM 1067 CG LYS A 81 -4.157 -14.884 6.349 1.00 61.31 C ATOM 1068 CD LYS A 81 -4.931 -16.152 6.097 1.00 4.25 C ATOM 1069 CE LYS A 81 -4.172 -17.343 6.656 1.00 62.43 C ATOM 1070 NZ LYS A 81 -2.756 -17.370 6.212 1.00 44.31 N ATOM 0 H LYS A 81 -2.919 -13.244 4.492 1.00 51.43 H new ATOM 0 HA LYS A 81 -4.687 -11.488 5.877 1.00 11.43 H new ATOM 0 HB2 LYS A 81 -5.810 -13.547 6.522 1.00 44.13 H new ATOM 0 HB3 LYS A 81 -5.224 -13.760 4.884 1.00 44.13 H new ATOM 0 HG2 LYS A 81 -3.207 -14.932 5.816 1.00 61.31 H new ATOM 0 HG3 LYS A 81 -3.923 -14.812 7.411 1.00 61.31 H new ATOM 0 HD2 LYS A 81 -5.915 -16.086 6.562 1.00 4.25 H new ATOM 0 HD3 LYS A 81 -5.093 -16.283 5.027 1.00 4.25 H new ATOM 0 HE2 LYS A 81 -4.208 -17.315 7.745 1.00 62.43 H new ATOM 0 HE3 LYS A 81 -4.665 -18.264 6.344 1.00 62.43 H new ATOM 0 HZ1 LYS A 81 -2.412 -18.352 6.208 1.00 44.31 H new ATOM 0 HZ2 LYS A 81 -2.685 -16.974 5.253 1.00 44.31 H new ATOM 0 HZ3 LYS A 81 -2.177 -16.803 6.864 1.00 44.31 H new ATOM 1084 N ASP A 82 -2.228 -12.484 7.604 1.00 51.15 N ATOM 1085 CA ASP A 82 -1.534 -12.500 8.879 1.00 20.24 C ATOM 1086 C ASP A 82 -0.910 -11.132 9.132 1.00 51.23 C ATOM 1087 O ASP A 82 -0.039 -10.972 9.990 1.00 54.24 O ATOM 1088 CB ASP A 82 -0.436 -13.592 8.877 1.00 3.42 C ATOM 1089 CG ASP A 82 -0.968 -15.020 8.746 1.00 20.15 C ATOM 1090 OD1 ASP A 82 -1.262 -15.475 7.614 1.00 14.22 O ATOM 1091 OD2 ASP A 82 -1.060 -15.742 9.766 1.00 25.34 O ATOM 0 H ASP A 82 -1.613 -12.624 6.803 1.00 51.15 H new ATOM 0 HA ASP A 82 -2.246 -12.726 9.673 1.00 20.24 H new ATOM 0 HB2 ASP A 82 0.253 -13.397 8.055 1.00 3.42 H new ATOM 0 HB3 ASP A 82 0.139 -13.514 9.800 1.00 3.42 H new ATOM 1096 N ALA A 83 -1.344 -10.158 8.354 1.00 52.14 N ATOM 1097 CA ALA A 83 -0.816 -8.817 8.413 1.00 65.31 C ATOM 1098 C ALA A 83 -1.187 -8.069 9.677 1.00 61.52 C ATOM 1099 O ALA A 83 -2.356 -8.006 10.079 1.00 33.34 O ATOM 1100 CB ALA A 83 -1.193 -8.016 7.183 1.00 43.24 C ATOM 0 H ALA A 83 -2.080 -10.281 7.659 1.00 52.14 H new ATOM 0 HA ALA A 83 0.267 -8.934 8.436 1.00 65.31 H new ATOM 0 HB1 ALA A 83 -0.778 -7.011 7.262 1.00 43.24 H new ATOM 0 HB2 ALA A 83 -0.794 -8.504 6.294 1.00 43.24 H new ATOM 0 HB3 ALA A 83 -2.279 -7.956 7.107 1.00 43.24 H new ATOM 1106 N GLU A 84 -0.181 -7.500 10.276 1.00 3.31 N ATOM 1107 CA GLU A 84 -0.294 -6.711 11.480 1.00 3.23 C ATOM 1108 C GLU A 84 -0.169 -5.256 11.086 1.00 21.12 C ATOM 1109 O GLU A 84 0.648 -4.933 10.216 1.00 30.01 O ATOM 1110 CB GLU A 84 0.854 -7.079 12.405 1.00 4.31 C ATOM 1111 CG GLU A 84 0.882 -8.545 12.772 1.00 4.02 C ATOM 1112 CD GLU A 84 2.169 -8.950 13.411 1.00 61.24 C ATOM 1113 OE1 GLU A 84 3.101 -9.341 12.679 1.00 22.13 O ATOM 1114 OE2 GLU A 84 2.273 -8.925 14.653 1.00 54.31 O ATOM 0 H GLU A 84 0.776 -7.572 9.932 1.00 3.31 H new ATOM 0 HA GLU A 84 -1.244 -6.891 11.983 1.00 3.23 H new ATOM 0 HB2 GLU A 84 1.796 -6.814 11.926 1.00 4.31 H new ATOM 0 HB3 GLU A 84 0.782 -6.485 13.316 1.00 4.31 H new ATOM 0 HG2 GLU A 84 0.058 -8.762 13.452 1.00 4.02 H new ATOM 0 HG3 GLU A 84 0.721 -9.144 11.876 1.00 4.02 H new ATOM 1121 N PHE A 85 -0.953 -4.392 11.679 1.00 23.23 N ATOM 1122 CA PHE A 85 -0.883 -2.991 11.326 1.00 75.41 C ATOM 1123 C PHE A 85 0.247 -2.289 12.041 1.00 3.11 C ATOM 1124 O PHE A 85 0.562 -2.590 13.210 1.00 51.21 O ATOM 1125 CB PHE A 85 -2.229 -2.239 11.519 1.00 63.40 C ATOM 1126 CG PHE A 85 -2.800 -2.216 12.918 1.00 74.32 C ATOM 1127 CD1 PHE A 85 -3.757 -3.139 13.305 1.00 4.34 C ATOM 1128 CD2 PHE A 85 -2.392 -1.259 13.838 1.00 62.33 C ATOM 1129 CE1 PHE A 85 -4.298 -3.108 14.575 1.00 74.21 C ATOM 1130 CE2 PHE A 85 -2.925 -1.225 15.109 1.00 5.22 C ATOM 1131 CZ PHE A 85 -3.878 -2.150 15.479 1.00 62.31 C ATOM 0 H PHE A 85 -1.638 -4.625 12.398 1.00 23.23 H new ATOM 0 HA PHE A 85 -0.672 -2.966 10.257 1.00 75.41 H new ATOM 0 HB2 PHE A 85 -2.093 -1.209 11.190 1.00 63.40 H new ATOM 0 HB3 PHE A 85 -2.968 -2.690 10.857 1.00 63.40 H new ATOM 0 HD1 PHE A 85 -4.084 -3.893 12.604 1.00 4.34 H new ATOM 0 HD2 PHE A 85 -1.647 -0.531 13.554 1.00 62.33 H new ATOM 0 HE1 PHE A 85 -5.048 -3.831 14.862 1.00 74.21 H new ATOM 0 HE2 PHE A 85 -2.597 -0.475 15.813 1.00 5.22 H new ATOM 0 HZ PHE A 85 -4.296 -2.126 16.474 1.00 62.31 H new ATOM 1300 N GLU A 97 -7.655 15.283 5.716 1.00 31.21 N ATOM 1301 CA GLU A 97 -6.348 14.861 5.302 1.00 1.21 C ATOM 1302 C GLU A 97 -6.406 13.367 5.026 1.00 43.45 C ATOM 1303 O GLU A 97 -7.448 12.732 5.268 1.00 53.15 O ATOM 1304 CB GLU A 97 -5.278 15.198 6.361 1.00 74.44 C ATOM 1305 CG GLU A 97 -5.375 14.424 7.673 1.00 43.00 C ATOM 1306 CD GLU A 97 -4.344 14.885 8.678 1.00 71.30 C ATOM 1307 OE1 GLU A 97 -4.731 15.366 9.762 1.00 34.20 O ATOM 1308 OE2 GLU A 97 -3.126 14.841 8.382 1.00 71.12 O ATOM 0 HA GLU A 97 -6.057 15.396 4.398 1.00 1.21 H new ATOM 0 HB2 GLU A 97 -4.295 15.018 5.927 1.00 74.44 H new ATOM 0 HB3 GLU A 97 -5.338 16.263 6.584 1.00 74.44 H new ATOM 0 HG2 GLU A 97 -6.373 14.547 8.094 1.00 43.00 H new ATOM 0 HG3 GLU A 97 -5.241 13.360 7.477 1.00 43.00 H new ATOM 1315 N GLY A 98 -5.332 12.809 4.543 1.00 14.41 N ATOM 1316 CA GLY A 98 -5.330 11.421 4.212 1.00 23.40 C ATOM 1317 C GLY A 98 -4.594 10.587 5.227 1.00 54.41 C ATOM 1318 O GLY A 98 -3.635 11.047 5.833 1.00 51.04 O ATOM 0 H GLY A 98 -4.452 13.296 4.372 1.00 14.41 H new ATOM 0 HA2 GLY A 98 -6.358 11.068 4.133 1.00 23.40 H new ATOM 0 HA3 GLY A 98 -4.871 11.285 3.233 1.00 23.40 H new ATOM 1322 N TYR A 99 -5.021 9.364 5.400 1.00 22.24 N ATOM 1323 CA TYR A 99 -4.389 8.464 6.340 1.00 63.31 C ATOM 1324 C TYR A 99 -3.610 7.441 5.558 1.00 54.11 C ATOM 1325 O TYR A 99 -4.028 7.045 4.447 1.00 3.41 O ATOM 1326 CB TYR A 99 -5.422 7.727 7.200 1.00 0.11 C ATOM 1327 CG TYR A 99 -6.491 8.604 7.788 1.00 13.40 C ATOM 1328 CD1 TYR A 99 -6.205 9.563 8.750 1.00 42.32 C ATOM 1329 CD2 TYR A 99 -7.797 8.466 7.371 1.00 53.30 C ATOM 1330 CE1 TYR A 99 -7.205 10.362 9.268 1.00 51.45 C ATOM 1331 CE2 TYR A 99 -8.794 9.241 7.875 1.00 44.53 C ATOM 1332 CZ TYR A 99 -8.502 10.195 8.827 1.00 4.43 C ATOM 1333 OH TYR A 99 -9.504 10.999 9.320 1.00 25.01 O ATOM 0 H TYR A 99 -5.812 8.961 4.898 1.00 22.24 H new ATOM 0 HA TYR A 99 -3.746 9.047 6.999 1.00 63.31 H new ATOM 0 HB2 TYR A 99 -5.897 6.957 6.593 1.00 0.11 H new ATOM 0 HB3 TYR A 99 -4.902 7.218 8.011 1.00 0.11 H new ATOM 0 HD1 TYR A 99 -5.190 9.685 9.097 1.00 42.32 H new ATOM 0 HD2 TYR A 99 -8.035 7.723 6.624 1.00 53.30 H new ATOM 0 HE1 TYR A 99 -6.974 11.111 10.011 1.00 51.45 H new ATOM 0 HE2 TYR A 99 -9.810 9.110 7.531 1.00 44.53 H new ATOM 0 HH TYR A 99 -10.307 10.896 8.768 1.00 25.01 H new ATOM 1343 N LYS A 100 -2.498 7.035 6.107 1.00 0.12 N ATOM 1344 CA LYS A 100 -1.632 6.044 5.519 1.00 51.40 C ATOM 1345 C LYS A 100 -1.502 4.931 6.518 1.00 23.50 C ATOM 1346 O LYS A 100 -0.787 5.055 7.500 1.00 32.43 O ATOM 1347 CB LYS A 100 -0.207 6.587 5.189 1.00 14.51 C ATOM 1348 CG LYS A 100 -0.093 7.663 4.097 1.00 32.31 C ATOM 1349 CD LYS A 100 -0.623 9.023 4.525 1.00 12.04 C ATOM 1350 CE LYS A 100 -0.430 10.067 3.430 1.00 63.41 C ATOM 1351 NZ LYS A 100 0.998 10.295 3.109 1.00 70.24 N ATOM 0 H LYS A 100 -2.158 7.393 7.000 1.00 0.12 H new ATOM 0 HA LYS A 100 -2.070 5.722 4.574 1.00 51.40 H new ATOM 0 HB2 LYS A 100 0.219 6.992 6.107 1.00 14.51 H new ATOM 0 HB3 LYS A 100 0.415 5.742 4.895 1.00 14.51 H new ATOM 0 HG2 LYS A 100 0.953 7.765 3.807 1.00 32.31 H new ATOM 0 HG3 LYS A 100 -0.638 7.331 3.213 1.00 32.31 H new ATOM 0 HD2 LYS A 100 -1.682 8.942 4.769 1.00 12.04 H new ATOM 0 HD3 LYS A 100 -0.111 9.346 5.431 1.00 12.04 H new ATOM 0 HE2 LYS A 100 -0.955 9.746 2.530 1.00 63.41 H new ATOM 0 HE3 LYS A 100 -0.883 11.007 3.745 1.00 63.41 H new ATOM 0 HZ1 LYS A 100 1.093 11.163 2.544 1.00 70.24 H new ATOM 0 HZ2 LYS A 100 1.540 10.395 3.991 1.00 70.24 H new ATOM 0 HZ3 LYS A 100 1.365 9.487 2.566 1.00 70.24 H new ATOM 1365 N LEU A 101 -2.227 3.896 6.312 1.00 52.41 N ATOM 1366 CA LEU A 101 -2.221 2.788 7.223 1.00 45.42 C ATOM 1367 C LEU A 101 -1.517 1.638 6.559 1.00 3.22 C ATOM 1368 O LEU A 101 -1.847 1.288 5.434 1.00 64.32 O ATOM 1369 CB LEU A 101 -3.657 2.429 7.591 1.00 11.40 C ATOM 1370 CG LEU A 101 -4.467 3.554 8.245 1.00 51.14 C ATOM 1371 CD1 LEU A 101 -5.910 3.145 8.434 1.00 70.45 C ATOM 1372 CD2 LEU A 101 -3.856 3.949 9.577 1.00 63.54 C ATOM 0 H LEU A 101 -2.846 3.782 5.509 1.00 52.41 H new ATOM 0 HA LEU A 101 -1.695 3.039 8.144 1.00 45.42 H new ATOM 0 HB2 LEU A 101 -4.176 2.107 6.688 1.00 11.40 H new ATOM 0 HB3 LEU A 101 -3.638 1.576 8.269 1.00 11.40 H new ATOM 0 HG LEU A 101 -4.440 4.416 7.578 1.00 51.14 H new ATOM 0 HD11 LEU A 101 -6.462 3.962 8.900 1.00 70.45 H new ATOM 0 HD12 LEU A 101 -6.353 2.914 7.465 1.00 70.45 H new ATOM 0 HD13 LEU A 101 -5.958 2.264 9.074 1.00 70.45 H new ATOM 0 HD21 LEU A 101 -4.446 4.749 10.025 1.00 63.54 H new ATOM 0 HD22 LEU A 101 -3.848 3.087 10.244 1.00 63.54 H new ATOM 0 HD23 LEU A 101 -2.834 4.296 9.420 1.00 63.54 H new ATOM 1384 N VAL A 102 -0.538 1.072 7.218 1.00 61.23 N ATOM 1385 CA VAL A 102 0.249 0.031 6.600 1.00 34.04 C ATOM 1386 C VAL A 102 0.219 -1.229 7.434 1.00 2.33 C ATOM 1387 O VAL A 102 0.383 -1.184 8.651 1.00 64.52 O ATOM 1388 CB VAL A 102 1.728 0.455 6.389 1.00 23.00 C ATOM 1389 CG1 VAL A 102 2.486 -0.566 5.535 1.00 31.52 C ATOM 1390 CG2 VAL A 102 1.839 1.858 5.804 1.00 4.03 C ATOM 0 H VAL A 102 -0.267 1.310 8.172 1.00 61.23 H new ATOM 0 HA VAL A 102 -0.199 -0.154 5.624 1.00 34.04 H new ATOM 0 HB VAL A 102 2.198 0.478 7.372 1.00 23.00 H new ATOM 0 HG11 VAL A 102 3.518 -0.239 5.407 1.00 31.52 H new ATOM 0 HG12 VAL A 102 2.472 -1.537 6.031 1.00 31.52 H new ATOM 0 HG13 VAL A 102 2.008 -0.650 4.559 1.00 31.52 H new ATOM 0 HG21 VAL A 102 2.890 2.115 5.672 1.00 4.03 H new ATOM 0 HG22 VAL A 102 1.334 1.891 4.839 1.00 4.03 H new ATOM 0 HG23 VAL A 102 1.373 2.573 6.482 1.00 4.03 H new ATOM 1400 N TRP A 103 -0.019 -2.322 6.781 1.00 71.30 N ATOM 1401 CA TRP A 103 -0.007 -3.623 7.382 1.00 54.43 C ATOM 1402 C TRP A 103 1.172 -4.394 6.861 1.00 33.05 C ATOM 1403 O TRP A 103 1.568 -4.229 5.709 1.00 35.14 O ATOM 1404 CB TRP A 103 -1.285 -4.393 7.074 1.00 2.05 C ATOM 1405 CG TRP A 103 -2.498 -3.869 7.745 1.00 54.32 C ATOM 1406 CD1 TRP A 103 -3.092 -4.385 8.849 1.00 54.31 C ATOM 1407 CD2 TRP A 103 -3.274 -2.741 7.359 1.00 3.42 C ATOM 1408 NE1 TRP A 103 -4.183 -3.636 9.185 1.00 51.24 N ATOM 1409 CE2 TRP A 103 -4.322 -2.624 8.280 1.00 50.12 C ATOM 1410 CE3 TRP A 103 -3.179 -1.816 6.323 1.00 52.11 C ATOM 1411 CZ2 TRP A 103 -5.270 -1.620 8.196 1.00 65.10 C ATOM 1412 CZ3 TRP A 103 -4.117 -0.825 6.240 1.00 13.11 C ATOM 1413 CH2 TRP A 103 -5.152 -0.730 7.168 1.00 55.41 C ATOM 0 H TRP A 103 -0.234 -2.337 5.784 1.00 71.30 H new ATOM 0 HA TRP A 103 0.062 -3.499 8.463 1.00 54.43 H new ATOM 0 HB2 TRP A 103 -1.449 -4.383 5.996 1.00 2.05 H new ATOM 0 HB3 TRP A 103 -1.146 -5.434 7.365 1.00 2.05 H new ATOM 0 HD1 TRP A 103 -2.752 -5.260 9.384 1.00 54.31 H new ATOM 0 HE1 TRP A 103 -4.795 -3.805 9.983 1.00 51.24 H new ATOM 0 HE3 TRP A 103 -2.380 -1.880 5.599 1.00 52.11 H new ATOM 0 HZ2 TRP A 103 -6.072 -1.543 8.915 1.00 65.10 H new ATOM 0 HZ3 TRP A 103 -4.055 -0.102 5.440 1.00 13.11 H new ATOM 0 HH2 TRP A 103 -5.877 0.065 7.072 1.00 55.41 H new ATOM 1424 N LYS A 104 1.739 -5.199 7.701 1.00 24.40 N ATOM 1425 CA LYS A 104 2.861 -6.023 7.344 1.00 22.13 C ATOM 1426 C LYS A 104 2.472 -7.474 7.528 1.00 71.33 C ATOM 1427 O LYS A 104 2.100 -7.892 8.632 1.00 21.44 O ATOM 1428 CB LYS A 104 4.038 -5.669 8.237 1.00 22.32 C ATOM 1429 CG LYS A 104 4.524 -4.243 8.064 1.00 31.12 C ATOM 1430 CD LYS A 104 5.369 -3.817 9.242 1.00 43.14 C ATOM 1431 CE LYS A 104 5.920 -2.416 9.060 1.00 65.11 C ATOM 1432 NZ LYS A 104 6.982 -2.354 8.040 1.00 70.12 N ATOM 0 H LYS A 104 1.436 -5.308 8.669 1.00 24.40 H new ATOM 0 HA LYS A 104 3.146 -5.858 6.305 1.00 22.13 H new ATOM 0 HB2 LYS A 104 3.753 -5.823 9.278 1.00 22.32 H new ATOM 0 HB3 LYS A 104 4.861 -6.352 8.027 1.00 22.32 H new ATOM 0 HG2 LYS A 104 5.105 -4.161 7.145 1.00 31.12 H new ATOM 0 HG3 LYS A 104 3.670 -3.573 7.962 1.00 31.12 H new ATOM 0 HD2 LYS A 104 4.771 -3.857 10.152 1.00 43.14 H new ATOM 0 HD3 LYS A 104 6.193 -4.518 9.371 1.00 43.14 H new ATOM 0 HE2 LYS A 104 5.109 -1.744 8.777 1.00 65.11 H new ATOM 0 HE3 LYS A 104 6.313 -2.058 10.011 1.00 65.11 H new ATOM 0 HZ1 LYS A 104 7.360 -1.386 7.990 1.00 70.12 H new ATOM 0 HZ2 LYS A 104 7.747 -3.011 8.295 1.00 70.12 H new ATOM 0 HZ3 LYS A 104 6.590 -2.621 7.114 1.00 70.12 H new ATOM 1446 N SER A 105 2.539 -8.210 6.461 1.00 1.32 N ATOM 1447 CA SER A 105 2.180 -9.608 6.415 1.00 23.11 C ATOM 1448 C SER A 105 3.258 -10.487 7.076 1.00 64.04 C ATOM 1449 O SER A 105 4.307 -9.985 7.523 1.00 43.54 O ATOM 1450 CB SER A 105 1.938 -9.977 4.937 1.00 50.42 C ATOM 1451 OG SER A 105 1.699 -11.347 4.715 1.00 31.21 O ATOM 0 H SER A 105 2.856 -7.847 5.562 1.00 1.32 H new ATOM 0 HA SER A 105 1.270 -9.790 6.987 1.00 23.11 H new ATOM 0 HB2 SER A 105 1.086 -9.407 4.567 1.00 50.42 H new ATOM 0 HB3 SER A 105 2.805 -9.672 4.351 1.00 50.42 H new ATOM 0 HG SER A 105 2.015 -11.593 3.821 1.00 31.21 H new ATOM 1640 N TRP A 117 8.108 -10.043 3.451 1.00 72.43 N ATOM 1641 CA TRP A 117 6.758 -9.899 3.823 1.00 2.51 C ATOM 1642 C TRP A 117 6.060 -9.073 2.787 1.00 75.45 C ATOM 1643 O TRP A 117 6.677 -8.597 1.817 1.00 74.43 O ATOM 1644 CB TRP A 117 6.603 -9.308 5.243 1.00 64.54 C ATOM 1645 CG TRP A 117 7.355 -8.033 5.481 1.00 44.24 C ATOM 1646 CD1 TRP A 117 6.948 -6.768 5.187 1.00 61.43 C ATOM 1647 CD2 TRP A 117 8.640 -7.913 6.083 1.00 1.40 C ATOM 1648 NE1 TRP A 117 7.912 -5.864 5.557 1.00 34.53 N ATOM 1649 CE2 TRP A 117 8.968 -6.548 6.107 1.00 52.34 C ATOM 1650 CE3 TRP A 117 9.554 -8.836 6.597 1.00 25.51 C ATOM 1651 CZ2 TRP A 117 10.172 -6.091 6.628 1.00 3.24 C ATOM 1652 CZ3 TRP A 117 10.737 -8.374 7.115 1.00 65.24 C ATOM 1653 CH2 TRP A 117 11.034 -7.012 7.123 1.00 10.55 C ATOM 0 HA TRP A 117 6.293 -10.884 3.867 1.00 2.51 H new ATOM 0 HB2 TRP A 117 5.545 -9.130 5.433 1.00 64.54 H new ATOM 0 HB3 TRP A 117 6.936 -10.050 5.968 1.00 64.54 H new ATOM 0 HD1 TRP A 117 6.004 -6.513 4.729 1.00 61.43 H new ATOM 0 HE1 TRP A 117 7.854 -4.852 5.442 1.00 34.53 H new ATOM 0 HE3 TRP A 117 9.333 -9.893 6.587 1.00 25.51 H new ATOM 0 HZ2 TRP A 117 10.413 -5.038 6.638 1.00 3.24 H new ATOM 0 HZ3 TRP A 117 11.449 -9.076 7.523 1.00 65.24 H new ATOM 0 HH2 TRP A 117 11.976 -6.682 7.535 1.00 10.55 H new ATOM 1664 N ASP A 118 4.814 -8.962 2.931 1.00 41.42 N ATOM 1665 CA ASP A 118 4.024 -8.189 2.040 1.00 65.25 C ATOM 1666 C ASP A 118 3.540 -7.024 2.831 1.00 33.13 C ATOM 1667 O ASP A 118 3.158 -7.191 3.992 1.00 11.05 O ATOM 1668 CB ASP A 118 2.799 -8.981 1.550 1.00 21.32 C ATOM 1669 CG ASP A 118 3.086 -10.440 1.260 1.00 52.53 C ATOM 1670 OD1 ASP A 118 2.802 -11.295 2.131 1.00 32.02 O ATOM 1671 OD2 ASP A 118 3.618 -10.761 0.183 1.00 5.40 O ATOM 0 H ASP A 118 4.287 -9.408 3.681 1.00 41.42 H new ATOM 0 HA ASP A 118 4.610 -7.902 1.167 1.00 65.25 H new ATOM 0 HB2 ASP A 118 2.013 -8.918 2.303 1.00 21.32 H new ATOM 0 HB3 ASP A 118 2.412 -8.510 0.646 1.00 21.32 H new ATOM 1676 N GLU A 119 3.573 -5.866 2.276 1.00 22.14 N ATOM 1677 CA GLU A 119 3.049 -4.729 2.983 1.00 3.14 C ATOM 1678 C GLU A 119 1.866 -4.196 2.281 1.00 21.22 C ATOM 1679 O GLU A 119 1.776 -4.248 1.051 1.00 42.22 O ATOM 1680 CB GLU A 119 4.068 -3.621 3.234 1.00 73.22 C ATOM 1681 CG GLU A 119 5.160 -4.016 4.187 1.00 55.30 C ATOM 1682 CD GLU A 119 5.996 -2.858 4.652 1.00 25.13 C ATOM 1683 OE1 GLU A 119 6.881 -3.064 5.507 1.00 73.13 O ATOM 1684 OE2 GLU A 119 5.807 -1.712 4.193 1.00 0.53 O ATOM 0 H GLU A 119 3.949 -5.671 1.348 1.00 22.14 H new ATOM 0 HA GLU A 119 2.766 -5.094 3.970 1.00 3.14 H new ATOM 0 HB2 GLU A 119 4.514 -3.327 2.284 1.00 73.22 H new ATOM 0 HB3 GLU A 119 3.552 -2.746 3.628 1.00 73.22 H new ATOM 0 HG2 GLU A 119 4.716 -4.505 5.054 1.00 55.30 H new ATOM 0 HG3 GLU A 119 5.806 -4.749 3.704 1.00 55.30 H new ATOM 1691 N ALA A 120 0.954 -3.724 3.038 1.00 71.54 N ATOM 1692 CA ALA A 120 -0.242 -3.198 2.506 1.00 45.44 C ATOM 1693 C ALA A 120 -0.451 -1.815 3.027 1.00 1.42 C ATOM 1694 O ALA A 120 -0.605 -1.617 4.216 1.00 4.31 O ATOM 1695 CB ALA A 120 -1.391 -4.099 2.863 1.00 40.13 C ATOM 0 H ALA A 120 1.016 -3.691 4.056 1.00 71.54 H new ATOM 0 HA ALA A 120 -0.178 -3.146 1.419 1.00 45.44 H new ATOM 0 HB1 ALA A 120 -2.314 -3.692 2.451 1.00 40.13 H new ATOM 0 HB2 ALA A 120 -1.217 -5.092 2.449 1.00 40.13 H new ATOM 0 HB3 ALA A 120 -1.476 -4.167 3.947 1.00 40.13 H new ATOM 1701 N GLU A 121 -0.456 -0.877 2.142 1.00 3.50 N ATOM 1702 CA GLU A 121 -0.612 0.505 2.496 1.00 61.11 C ATOM 1703 C GLU A 121 -1.958 0.980 2.011 1.00 64.14 C ATOM 1704 O GLU A 121 -2.180 1.089 0.822 1.00 41.34 O ATOM 1705 CB GLU A 121 0.485 1.370 1.840 1.00 1.24 C ATOM 1706 CG GLU A 121 1.923 0.992 2.185 1.00 65.24 C ATOM 1707 CD GLU A 121 2.931 1.930 1.556 1.00 75.35 C ATOM 1708 OE1 GLU A 121 3.670 1.516 0.635 1.00 10.50 O ATOM 1709 OE2 GLU A 121 2.981 3.117 1.942 1.00 30.21 O ATOM 0 H GLU A 121 -0.351 -1.043 1.141 1.00 3.50 H new ATOM 0 HA GLU A 121 -0.532 0.600 3.579 1.00 61.11 H new ATOM 0 HB2 GLU A 121 0.365 1.317 0.758 1.00 1.24 H new ATOM 0 HB3 GLU A 121 0.323 2.409 2.128 1.00 1.24 H new ATOM 0 HG2 GLU A 121 2.049 1.000 3.268 1.00 65.24 H new ATOM 0 HG3 GLU A 121 2.119 -0.026 1.849 1.00 65.24 H new ATOM 1716 N ALA A 122 -2.845 1.231 2.903 1.00 14.13 N ATOM 1717 CA ALA A 122 -4.127 1.746 2.553 1.00 32.42 C ATOM 1718 C ALA A 122 -4.130 3.247 2.736 1.00 61.41 C ATOM 1719 O ALA A 122 -3.787 3.764 3.812 1.00 14.21 O ATOM 1720 CB ALA A 122 -5.225 1.103 3.381 1.00 41.11 C ATOM 0 H ALA A 122 -2.706 1.086 3.903 1.00 14.13 H new ATOM 0 HA ALA A 122 -4.327 1.508 1.508 1.00 32.42 H new ATOM 0 HB1 ALA A 122 -6.190 1.517 3.090 1.00 41.11 H new ATOM 0 HB2 ALA A 122 -5.226 0.026 3.211 1.00 41.11 H new ATOM 0 HB3 ALA A 122 -5.048 1.303 4.438 1.00 41.11 H new ATOM 1726 N TYR A 123 -4.479 3.931 1.696 1.00 62.11 N ATOM 1727 CA TYR A 123 -4.534 5.358 1.686 1.00 11.41 C ATOM 1728 C TYR A 123 -5.985 5.767 1.693 1.00 1.04 C ATOM 1729 O TYR A 123 -6.725 5.499 0.743 1.00 25.34 O ATOM 1730 CB TYR A 123 -3.840 5.906 0.431 1.00 34.52 C ATOM 1731 CG TYR A 123 -2.419 5.420 0.260 1.00 50.53 C ATOM 1732 CD1 TYR A 123 -2.149 4.256 -0.450 1.00 60.23 C ATOM 1733 CD2 TYR A 123 -1.354 6.111 0.815 1.00 53.20 C ATOM 1734 CE1 TYR A 123 -0.863 3.799 -0.602 1.00 11.21 C ATOM 1735 CE2 TYR A 123 -0.058 5.658 0.667 1.00 35.44 C ATOM 1736 CZ TYR A 123 0.183 4.504 -0.042 1.00 22.51 C ATOM 1737 OH TYR A 123 1.478 4.049 -0.196 1.00 4.12 O ATOM 0 H TYR A 123 -4.740 3.503 0.808 1.00 62.11 H new ATOM 0 HA TYR A 123 -4.022 5.760 2.560 1.00 11.41 H new ATOM 0 HB2 TYR A 123 -4.420 5.622 -0.447 1.00 34.52 H new ATOM 0 HB3 TYR A 123 -3.839 6.995 0.474 1.00 34.52 H new ATOM 0 HD1 TYR A 123 -2.965 3.701 -0.890 1.00 60.23 H new ATOM 0 HD2 TYR A 123 -1.540 7.018 1.372 1.00 53.20 H new ATOM 0 HE1 TYR A 123 -0.671 2.893 -1.157 1.00 11.21 H new ATOM 0 HE2 TYR A 123 0.762 6.207 1.106 1.00 35.44 H new ATOM 0 HH TYR A 123 1.970 4.174 0.642 1.00 4.12 H new ATOM 1747 N ILE A 124 -6.401 6.352 2.757 1.00 40.21 N ATOM 1748 CA ILE A 124 -7.774 6.798 2.903 1.00 60.01 C ATOM 1749 C ILE A 124 -7.761 8.303 2.888 1.00 63.31 C ATOM 1750 O ILE A 124 -6.787 8.894 3.343 1.00 21.12 O ATOM 1751 CB ILE A 124 -8.350 6.309 4.260 1.00 4.34 C ATOM 1752 CG1 ILE A 124 -8.305 4.786 4.360 1.00 4.40 C ATOM 1753 CG2 ILE A 124 -9.764 6.830 4.515 1.00 22.12 C ATOM 1754 CD1 ILE A 124 -8.898 4.253 5.650 1.00 22.32 C ATOM 0 H ILE A 124 -5.810 6.545 3.566 1.00 40.21 H new ATOM 0 HA ILE A 124 -8.391 6.399 2.097 1.00 60.01 H new ATOM 0 HB ILE A 124 -7.712 6.724 5.040 1.00 4.34 H new ATOM 0 HG12 ILE A 124 -8.844 4.357 3.516 1.00 4.40 H new ATOM 0 HG13 ILE A 124 -7.270 4.454 4.279 1.00 4.40 H new ATOM 0 HG21 ILE A 124 -10.120 6.459 5.476 1.00 22.12 H new ATOM 0 HG22 ILE A 124 -9.753 7.920 4.528 1.00 22.12 H new ATOM 0 HG23 ILE A 124 -10.428 6.483 3.723 1.00 22.12 H new ATOM 0 HD11 ILE A 124 -8.835 3.165 5.657 1.00 22.32 H new ATOM 0 HD12 ILE A 124 -8.344 4.654 6.498 1.00 22.32 H new ATOM 0 HD13 ILE A 124 -9.942 4.556 5.723 1.00 22.32 H new ATOM 1766 N TRP A 125 -8.781 8.926 2.361 1.00 64.53 N ATOM 1767 CA TRP A 125 -8.827 10.362 2.390 1.00 52.32 C ATOM 1768 C TRP A 125 -10.164 10.774 2.944 1.00 22.51 C ATOM 1769 O TRP A 125 -11.156 10.002 2.829 1.00 72.21 O ATOM 1770 CB TRP A 125 -8.549 10.987 0.985 1.00 33.41 C ATOM 1771 CG TRP A 125 -9.755 11.343 0.127 1.00 12.13 C ATOM 1772 CD1 TRP A 125 -10.184 12.605 -0.151 1.00 62.01 C ATOM 1773 CD2 TRP A 125 -10.670 10.459 -0.552 1.00 52.11 C ATOM 1774 NE1 TRP A 125 -11.284 12.566 -0.958 1.00 64.31 N ATOM 1775 CE2 TRP A 125 -11.607 11.270 -1.220 1.00 21.42 C ATOM 1776 CE3 TRP A 125 -10.788 9.083 -0.668 1.00 43.23 C ATOM 1777 CZ2 TRP A 125 -12.641 10.743 -1.986 1.00 44.34 C ATOM 1778 CZ3 TRP A 125 -11.815 8.559 -1.427 1.00 22.25 C ATOM 1779 CH2 TRP A 125 -12.728 9.386 -2.078 1.00 71.05 C ATOM 0 H TRP A 125 -9.577 8.472 1.914 1.00 64.53 H new ATOM 0 HA TRP A 125 -8.034 10.742 3.034 1.00 52.32 H new ATOM 0 HB2 TRP A 125 -7.959 11.892 1.129 1.00 33.41 H new ATOM 0 HB3 TRP A 125 -7.929 10.289 0.422 1.00 33.41 H new ATOM 0 HD1 TRP A 125 -9.720 13.509 0.215 1.00 62.01 H new ATOM 0 HE1 TRP A 125 -11.786 13.381 -1.310 1.00 64.31 H new ATOM 0 HE3 TRP A 125 -10.086 8.430 -0.171 1.00 43.23 H new ATOM 0 HZ2 TRP A 125 -13.349 11.385 -2.489 1.00 44.34 H new ATOM 0 HZ3 TRP A 125 -11.913 7.487 -1.518 1.00 22.25 H new ATOM 0 HH2 TRP A 125 -13.519 8.944 -2.666 1.00 71.05 H new ATOM 1790 N ARG A 126 -10.218 11.908 3.594 1.00 4.12 N ATOM 1791 CA ARG A 126 -11.473 12.376 4.059 1.00 45.32 C ATOM 1792 C ARG A 126 -12.116 13.127 2.934 1.00 61.24 C ATOM 1793 O ARG A 126 -11.624 14.177 2.502 1.00 73.52 O ATOM 1794 CB ARG A 126 -11.389 13.233 5.327 1.00 22.22 C ATOM 1795 CG ARG A 126 -12.760 13.392 5.984 1.00 65.51 C ATOM 1796 CD ARG A 126 -12.717 14.105 7.326 1.00 50.15 C ATOM 1797 NE ARG A 126 -12.427 15.532 7.196 1.00 51.13 N ATOM 1798 CZ ARG A 126 -13.336 16.509 7.350 1.00 3.15 C ATOM 1799 NH1 ARG A 126 -14.620 16.201 7.588 1.00 31.24 N ATOM 1800 NH2 ARG A 126 -12.966 17.791 7.249 1.00 23.44 N ATOM 0 H ARG A 126 -9.418 12.505 3.804 1.00 4.12 H new ATOM 0 HA ARG A 126 -12.074 11.516 4.355 1.00 45.32 H new ATOM 0 HB2 ARG A 126 -10.697 12.774 6.033 1.00 22.22 H new ATOM 0 HB3 ARG A 126 -10.987 14.215 5.078 1.00 22.22 H new ATOM 0 HG2 ARG A 126 -13.414 13.945 5.310 1.00 65.51 H new ATOM 0 HG3 ARG A 126 -13.204 12.406 6.121 1.00 65.51 H new ATOM 0 HD2 ARG A 126 -13.674 13.977 7.832 1.00 50.15 H new ATOM 0 HD3 ARG A 126 -11.959 13.640 7.956 1.00 50.15 H new ATOM 0 HE ARG A 126 -11.470 15.804 6.973 1.00 51.13 H new ATOM 0 HH11 ARG A 126 -14.907 15.224 7.652 1.00 31.24 H new ATOM 0 HH12 ARG A 126 -15.309 16.944 7.705 1.00 31.24 H new ATOM 0 HH21 ARG A 126 -11.993 18.027 7.055 1.00 23.44 H new ATOM 0 HH22 ARG A 126 -13.657 18.532 7.366 1.00 23.44 H new ATOM 1814 N ARG A 127 -13.176 12.569 2.443 1.00 65.14 N ATOM 1815 CA ARG A 127 -13.885 13.083 1.321 1.00 53.14 C ATOM 1816 C ARG A 127 -14.533 14.409 1.704 1.00 21.30 C ATOM 1817 O ARG A 127 -14.867 14.627 2.879 1.00 25.22 O ATOM 1818 CB ARG A 127 -14.916 12.021 0.859 1.00 52.11 C ATOM 1819 CG ARG A 127 -15.727 12.393 -0.375 1.00 14.12 C ATOM 1820 CD ARG A 127 -16.564 11.221 -0.899 1.00 33.33 C ATOM 1821 NE ARG A 127 -17.511 10.684 0.101 1.00 25.44 N ATOM 1822 CZ ARG A 127 -18.803 10.387 -0.149 1.00 3.42 C ATOM 1823 NH1 ARG A 127 -19.332 10.624 -1.343 1.00 33.12 N ATOM 1824 NH2 ARG A 127 -19.553 9.846 0.797 1.00 73.41 N ATOM 0 H ARG A 127 -13.583 11.716 2.826 1.00 65.14 H new ATOM 0 HA ARG A 127 -13.217 13.282 0.483 1.00 53.14 H new ATOM 0 HB2 ARG A 127 -14.387 11.089 0.658 1.00 52.11 H new ATOM 0 HB3 ARG A 127 -15.605 11.826 1.681 1.00 52.11 H new ATOM 0 HG2 ARG A 127 -16.386 13.228 -0.136 1.00 14.12 H new ATOM 0 HG3 ARG A 127 -15.053 12.734 -1.160 1.00 14.12 H new ATOM 0 HD2 ARG A 127 -17.121 11.546 -1.778 1.00 33.33 H new ATOM 0 HD3 ARG A 127 -15.896 10.422 -1.222 1.00 33.33 H new ATOM 0 HE ARG A 127 -17.163 10.527 1.047 1.00 25.44 H new ATOM 0 HH11 ARG A 127 -18.761 11.034 -2.082 1.00 33.12 H new ATOM 0 HH12 ARG A 127 -20.310 10.396 -1.522 1.00 33.12 H new ATOM 0 HH21 ARG A 127 -19.154 9.653 1.716 1.00 73.41 H new ATOM 0 HH22 ARG A 127 -20.530 9.622 0.607 1.00 73.41 H new ATOM 1838 N LYS A 128 -14.693 15.288 0.725 1.00 71.40 N ATOM 1839 CA LYS A 128 -15.262 16.641 0.890 1.00 20.42 C ATOM 1840 C LYS A 128 -16.688 16.585 1.488 1.00 64.53 C ATOM 1841 O LYS A 128 -17.216 17.582 1.985 1.00 41.14 O ATOM 1842 CB LYS A 128 -15.283 17.324 -0.490 1.00 21.31 C ATOM 1843 CG LYS A 128 -15.667 18.796 -0.503 1.00 13.44 C ATOM 1844 CD LYS A 128 -15.786 19.299 -1.936 1.00 14.40 C ATOM 1845 CE LYS A 128 -16.077 20.791 -2.008 1.00 42.14 C ATOM 1846 NZ LYS A 128 -17.321 21.174 -1.301 1.00 33.43 N ATOM 0 H LYS A 128 -14.426 15.085 -0.238 1.00 71.40 H new ATOM 0 HA LYS A 128 -14.646 17.211 1.586 1.00 20.42 H new ATOM 0 HB2 LYS A 128 -14.294 17.224 -0.937 1.00 21.31 H new ATOM 0 HB3 LYS A 128 -15.979 16.782 -1.130 1.00 21.31 H new ATOM 0 HG2 LYS A 128 -16.614 18.936 0.019 1.00 13.44 H new ATOM 0 HG3 LYS A 128 -14.918 19.379 0.033 1.00 13.44 H new ATOM 0 HD2 LYS A 128 -14.860 19.087 -2.470 1.00 14.40 H new ATOM 0 HD3 LYS A 128 -16.580 18.752 -2.445 1.00 14.40 H new ATOM 0 HE2 LYS A 128 -15.239 21.340 -1.579 1.00 42.14 H new ATOM 0 HE3 LYS A 128 -16.153 21.090 -3.053 1.00 42.14 H new ATOM 0 HZ1 LYS A 128 -17.520 22.181 -1.470 1.00 33.43 H new ATOM 0 HZ2 LYS A 128 -18.113 20.600 -1.656 1.00 33.43 H new ATOM 0 HZ3 LYS A 128 -17.205 21.010 -0.281 1.00 33.43 H new ATOM 1860 N ASP A 129 -17.282 15.406 1.450 1.00 11.11 N ATOM 1861 CA ASP A 129 -18.610 15.173 1.988 1.00 70.14 C ATOM 1862 C ASP A 129 -18.571 14.972 3.505 1.00 75.14 C ATOM 1863 O ASP A 129 -19.599 14.853 4.147 1.00 30.32 O ATOM 1864 CB ASP A 129 -19.292 13.994 1.284 1.00 75.42 C ATOM 1865 CG ASP A 129 -19.518 14.266 -0.189 1.00 25.12 C ATOM 1866 OD1 ASP A 129 -20.434 15.046 -0.534 1.00 52.24 O ATOM 1867 OD2 ASP A 129 -18.769 13.733 -1.030 1.00 52.02 O ATOM 0 H ASP A 129 -16.852 14.576 1.041 1.00 11.11 H new ATOM 0 HA ASP A 129 -19.207 16.064 1.794 1.00 70.14 H new ATOM 0 HB2 ASP A 129 -18.679 13.100 1.398 1.00 75.42 H new ATOM 0 HB3 ASP A 129 -20.248 13.788 1.765 1.00 75.42 H new ATOM 1872 N GLY A 130 -17.375 14.907 4.063 1.00 43.33 N ATOM 1873 CA GLY A 130 -17.219 14.876 5.505 1.00 35.31 C ATOM 1874 C GLY A 130 -16.738 13.563 6.060 1.00 52.34 C ATOM 1875 O GLY A 130 -16.095 13.537 7.113 1.00 44.42 O ATOM 0 H GLY A 130 -16.500 14.875 3.540 1.00 43.33 H new ATOM 0 HA2 GLY A 130 -16.517 15.657 5.797 1.00 35.31 H new ATOM 0 HA3 GLY A 130 -18.177 15.120 5.965 1.00 35.31 H new ATOM 1879 N SER A 131 -16.986 12.501 5.358 1.00 73.23 N ATOM 1880 CA SER A 131 -16.586 11.204 5.785 1.00 1.43 C ATOM 1881 C SER A 131 -15.375 10.767 4.995 1.00 52.12 C ATOM 1882 O SER A 131 -15.050 11.356 3.976 1.00 12.20 O ATOM 1883 CB SER A 131 -17.725 10.221 5.586 1.00 53.42 C ATOM 1884 OG SER A 131 -18.864 10.559 6.356 1.00 23.24 O ATOM 0 H SER A 131 -17.477 12.514 4.464 1.00 73.23 H new ATOM 0 HA SER A 131 -16.331 11.232 6.844 1.00 1.43 H new ATOM 0 HB2 SER A 131 -17.997 10.192 4.531 1.00 53.42 H new ATOM 0 HB3 SER A 131 -17.390 9.220 5.856 1.00 53.42 H new ATOM 0 HG SER A 131 -19.226 9.751 6.777 1.00 23.24 H new ATOM 1890 N CYS A 132 -14.741 9.745 5.443 1.00 41.15 N ATOM 1891 CA CYS A 132 -13.566 9.227 4.800 1.00 50.11 C ATOM 1892 C CYS A 132 -13.934 8.046 3.932 1.00 30.30 C ATOM 1893 O CYS A 132 -14.966 7.396 4.154 1.00 51.45 O ATOM 1894 CB CYS A 132 -12.511 8.851 5.837 1.00 14.23 C ATOM 1895 SG CYS A 132 -12.034 10.225 6.914 1.00 52.23 S ATOM 0 H CYS A 132 -15.019 9.230 6.278 1.00 41.15 H new ATOM 0 HA CYS A 132 -13.137 9.999 4.161 1.00 50.11 H new ATOM 0 HB2 CYS A 132 -12.891 8.034 6.450 1.00 14.23 H new ATOM 0 HB3 CYS A 132 -11.625 8.478 5.323 1.00 14.23 H new ATOM 0 HG CYS A 132 -13.041 10.557 7.666 1.00 52.23 H new ATOM 1901 N TRP A 133 -13.136 7.800 2.933 1.00 41.01 N ATOM 1902 CA TRP A 133 -13.369 6.755 2.013 1.00 71.53 C ATOM 1903 C TRP A 133 -12.006 6.293 1.523 1.00 70.41 C ATOM 1904 O TRP A 133 -11.018 7.055 1.624 1.00 40.51 O ATOM 1905 CB TRP A 133 -14.204 7.316 0.870 1.00 13.25 C ATOM 1906 CG TRP A 133 -14.904 6.307 0.026 1.00 42.42 C ATOM 1907 CD1 TRP A 133 -14.418 5.664 -1.056 1.00 22.41 C ATOM 1908 CD2 TRP A 133 -16.242 5.859 0.195 1.00 62.12 C ATOM 1909 NE1 TRP A 133 -15.382 4.848 -1.590 1.00 65.45 N ATOM 1910 CE2 TRP A 133 -16.516 4.955 -0.835 1.00 24.40 C ATOM 1911 CE3 TRP A 133 -17.234 6.146 1.116 1.00 74.14 C ATOM 1912 CZ2 TRP A 133 -17.751 4.334 -0.965 1.00 64.11 C ATOM 1913 CZ3 TRP A 133 -18.461 5.532 0.995 1.00 22.34 C ATOM 1914 CH2 TRP A 133 -18.713 4.635 -0.045 1.00 14.25 C ATOM 0 H TRP A 133 -12.291 8.339 2.742 1.00 41.01 H new ATOM 0 HA TRP A 133 -13.905 5.914 2.453 1.00 71.53 H new ATOM 0 HB2 TRP A 133 -14.949 7.994 1.287 1.00 13.25 H new ATOM 0 HB3 TRP A 133 -13.555 7.912 0.228 1.00 13.25 H new ATOM 0 HD1 TRP A 133 -13.417 5.776 -1.445 1.00 22.41 H new ATOM 0 HE1 TRP A 133 -15.271 4.258 -2.415 1.00 65.45 H new ATOM 0 HE3 TRP A 133 -17.048 6.843 1.920 1.00 74.14 H new ATOM 0 HZ2 TRP A 133 -17.944 3.637 -1.767 1.00 64.11 H new ATOM 0 HZ3 TRP A 133 -19.238 5.747 1.714 1.00 22.34 H new ATOM 0 HH2 TRP A 133 -19.685 4.172 -0.123 1.00 14.25 H new ATOM 1925 N LEU A 134 -11.926 5.062 1.080 1.00 4.01 N ATOM 1926 CA LEU A 134 -10.680 4.505 0.565 1.00 64.04 C ATOM 1927 C LEU A 134 -10.246 5.278 -0.676 1.00 1.41 C ATOM 1928 O LEU A 134 -10.981 5.339 -1.667 1.00 21.04 O ATOM 1929 CB LEU A 134 -10.837 3.011 0.212 1.00 32.11 C ATOM 1930 CG LEU A 134 -11.273 2.058 1.342 1.00 55.32 C ATOM 1931 CD1 LEU A 134 -11.337 0.624 0.836 1.00 24.01 C ATOM 1932 CD2 LEU A 134 -10.335 2.150 2.534 1.00 53.33 C ATOM 0 H LEU A 134 -12.713 4.414 1.062 1.00 4.01 H new ATOM 0 HA LEU A 134 -9.922 4.595 1.343 1.00 64.04 H new ATOM 0 HB2 LEU A 134 -11.564 2.930 -0.596 1.00 32.11 H new ATOM 0 HB3 LEU A 134 -9.884 2.655 -0.180 1.00 32.11 H new ATOM 0 HG LEU A 134 -12.267 2.363 1.668 1.00 55.32 H new ATOM 0 HD11 LEU A 134 -11.646 -0.035 1.647 1.00 24.01 H new ATOM 0 HD12 LEU A 134 -12.057 0.558 0.020 1.00 24.01 H new ATOM 0 HD13 LEU A 134 -10.353 0.320 0.477 1.00 24.01 H new ATOM 0 HD21 LEU A 134 -10.670 1.466 3.314 1.00 53.33 H new ATOM 0 HD22 LEU A 134 -9.325 1.881 2.224 1.00 53.33 H new ATOM 0 HD23 LEU A 134 -10.336 3.169 2.920 1.00 53.33 H new ATOM 1944 N HIS A 135 -9.078 5.880 -0.618 1.00 70.11 N ATOM 1945 CA HIS A 135 -8.588 6.647 -1.730 1.00 64.51 C ATOM 1946 C HIS A 135 -7.934 5.690 -2.694 1.00 3.22 C ATOM 1947 O HIS A 135 -8.272 5.637 -3.881 1.00 11.42 O ATOM 1948 CB HIS A 135 -7.585 7.733 -1.270 1.00 34.54 C ATOM 1949 CG HIS A 135 -7.224 8.738 -2.337 1.00 71.31 C ATOM 1950 ND1 HIS A 135 -5.978 8.847 -2.919 1.00 14.13 N ATOM 1951 CD2 HIS A 135 -7.980 9.711 -2.899 1.00 71.51 C ATOM 1952 CE1 HIS A 135 -6.020 9.858 -3.791 1.00 54.44 C ATOM 1953 NE2 HIS A 135 -7.216 10.415 -3.817 1.00 11.42 N ATOM 0 H HIS A 135 -8.455 5.850 0.189 1.00 70.11 H new ATOM 0 HA HIS A 135 -9.415 7.169 -2.212 1.00 64.51 H new ATOM 0 HB2 HIS A 135 -8.008 8.263 -0.416 1.00 34.54 H new ATOM 0 HB3 HIS A 135 -6.674 7.246 -0.923 1.00 34.54 H new ATOM 0 HD2 HIS A 135 -9.016 9.908 -2.668 1.00 71.51 H new ATOM 0 HE1 HIS A 135 -5.184 10.178 -4.396 1.00 54.44 H new ATOM 0 HE2 HIS A 135 -7.516 11.201 -4.393 1.00 11.42 H new ATOM 1961 N SER A 136 -7.009 4.919 -2.176 1.00 42.32 N ATOM 1962 CA SER A 136 -6.291 3.907 -2.927 1.00 10.24 C ATOM 1963 C SER A 136 -5.628 3.018 -1.914 1.00 63.11 C ATOM 1964 O SER A 136 -5.447 3.434 -0.790 1.00 15.22 O ATOM 1965 CB SER A 136 -5.183 4.538 -3.785 1.00 71.34 C ATOM 1966 OG SER A 136 -5.647 5.657 -4.538 1.00 42.13 O ATOM 0 H SER A 136 -6.725 4.976 -1.198 1.00 42.32 H new ATOM 0 HA SER A 136 -6.980 3.374 -3.582 1.00 10.24 H new ATOM 0 HB2 SER A 136 -4.363 4.853 -3.140 1.00 71.34 H new ATOM 0 HB3 SER A 136 -4.782 3.787 -4.466 1.00 71.34 H new ATOM 0 HG SER A 136 -4.908 6.025 -5.066 1.00 42.13 H new ATOM 1972 N VAL A 137 -5.303 1.818 -2.261 1.00 15.10 N ATOM 1973 CA VAL A 137 -4.544 0.986 -1.361 1.00 12.23 C ATOM 1974 C VAL A 137 -3.480 0.282 -2.180 1.00 41.15 C ATOM 1975 O VAL A 137 -3.639 0.131 -3.384 1.00 0.14 O ATOM 1976 CB VAL A 137 -5.400 -0.046 -0.539 1.00 72.10 C ATOM 1977 CG1 VAL A 137 -6.627 0.577 0.119 1.00 52.33 C ATOM 1978 CG2 VAL A 137 -5.777 -1.255 -1.334 1.00 12.02 C ATOM 0 H VAL A 137 -5.544 1.385 -3.152 1.00 15.10 H new ATOM 0 HA VAL A 137 -4.106 1.631 -0.599 1.00 12.23 H new ATOM 0 HB VAL A 137 -4.740 -0.376 0.263 1.00 72.10 H new ATOM 0 HG11 VAL A 137 -7.173 -0.189 0.670 1.00 52.33 H new ATOM 0 HG12 VAL A 137 -6.312 1.363 0.806 1.00 52.33 H new ATOM 0 HG13 VAL A 137 -7.274 1.003 -0.648 1.00 52.33 H new ATOM 0 HG21 VAL A 137 -6.366 -1.930 -0.713 1.00 12.02 H new ATOM 0 HG22 VAL A 137 -6.365 -0.952 -2.200 1.00 12.02 H new ATOM 0 HG23 VAL A 137 -4.874 -1.766 -1.669 1.00 12.02 H new ATOM 1988 N LYS A 138 -2.418 -0.097 -1.563 1.00 2.30 N ATOM 1989 CA LYS A 138 -1.315 -0.712 -2.247 1.00 63.34 C ATOM 1990 C LYS A 138 -0.901 -1.980 -1.532 1.00 71.31 C ATOM 1991 O LYS A 138 -0.831 -2.006 -0.316 1.00 62.33 O ATOM 1992 CB LYS A 138 -0.129 0.240 -2.241 1.00 4.52 C ATOM 1993 CG LYS A 138 1.068 -0.251 -3.035 1.00 60.32 C ATOM 1994 CD LYS A 138 2.360 0.359 -2.514 1.00 62.40 C ATOM 1995 CE LYS A 138 2.352 1.868 -2.544 1.00 55.30 C ATOM 1996 NZ LYS A 138 3.532 2.420 -1.867 1.00 33.53 N ATOM 0 H LYS A 138 -2.280 0.008 -0.558 1.00 2.30 H new ATOM 0 HA LYS A 138 -1.621 -0.944 -3.267 1.00 63.34 H new ATOM 0 HB2 LYS A 138 -0.448 1.202 -2.643 1.00 4.52 H new ATOM 0 HB3 LYS A 138 0.179 0.412 -1.210 1.00 4.52 H new ATOM 0 HG2 LYS A 138 1.126 -1.338 -2.976 1.00 60.32 H new ATOM 0 HG3 LYS A 138 0.940 0.005 -4.087 1.00 60.32 H new ATOM 0 HD2 LYS A 138 2.528 0.022 -1.491 1.00 62.40 H new ATOM 0 HD3 LYS A 138 3.195 -0.007 -3.111 1.00 62.40 H new ATOM 0 HE2 LYS A 138 2.328 2.213 -3.578 1.00 55.30 H new ATOM 0 HE3 LYS A 138 1.447 2.239 -2.063 1.00 55.30 H new ATOM 0 HZ1 LYS A 138 3.356 3.414 -1.617 1.00 33.53 H new ATOM 0 HZ2 LYS A 138 3.723 1.874 -1.003 1.00 33.53 H new ATOM 0 HZ3 LYS A 138 4.354 2.363 -2.501 1.00 33.53 H new ATOM 2010 N PHE A 139 -0.633 -3.008 -2.283 1.00 31.11 N ATOM 2011 CA PHE A 139 -0.129 -4.242 -1.759 1.00 23.21 C ATOM 2012 C PHE A 139 1.190 -4.510 -2.406 1.00 61.32 C ATOM 2013 O PHE A 139 1.279 -4.612 -3.623 1.00 14.05 O ATOM 2014 CB PHE A 139 -1.087 -5.388 -2.052 1.00 22.41 C ATOM 2015 CG PHE A 139 -2.442 -5.138 -1.513 1.00 61.53 C ATOM 2016 CD1 PHE A 139 -3.518 -4.954 -2.350 1.00 53.43 C ATOM 2017 CD2 PHE A 139 -2.628 -5.051 -0.160 1.00 54.24 C ATOM 2018 CE1 PHE A 139 -4.764 -4.690 -1.825 1.00 55.23 C ATOM 2019 CE2 PHE A 139 -3.860 -4.791 0.373 1.00 45.04 C ATOM 2020 CZ PHE A 139 -4.935 -4.607 -0.460 1.00 60.25 C ATOM 0 H PHE A 139 -0.761 -3.012 -3.295 1.00 31.11 H new ATOM 0 HA PHE A 139 -0.022 -4.165 -0.677 1.00 23.21 H new ATOM 0 HB2 PHE A 139 -1.149 -5.540 -3.130 1.00 22.41 H new ATOM 0 HB3 PHE A 139 -0.691 -6.308 -1.622 1.00 22.41 H new ATOM 0 HD1 PHE A 139 -3.386 -5.017 -3.420 1.00 53.43 H new ATOM 0 HD2 PHE A 139 -1.785 -5.191 0.500 1.00 54.24 H new ATOM 0 HE1 PHE A 139 -5.608 -4.548 -2.484 1.00 55.23 H new ATOM 0 HE2 PHE A 139 -3.986 -4.731 1.444 1.00 45.04 H new ATOM 0 HZ PHE A 139 -5.911 -4.398 -0.048 1.00 60.25 H new ATOM 2030 N ILE A 140 2.205 -4.563 -1.631 1.00 35.42 N ATOM 2031 CA ILE A 140 3.527 -4.822 -2.155 1.00 21.43 C ATOM 2032 C ILE A 140 4.066 -6.118 -1.627 1.00 73.51 C ATOM 2033 O ILE A 140 4.490 -6.218 -0.469 1.00 61.02 O ATOM 2034 CB ILE A 140 4.532 -3.658 -1.912 1.00 13.14 C ATOM 2035 CG1 ILE A 140 4.436 -3.137 -0.464 1.00 45.34 C ATOM 2036 CG2 ILE A 140 4.330 -2.546 -2.932 1.00 40.11 C ATOM 2037 CD1 ILE A 140 5.417 -2.045 -0.120 1.00 73.03 C ATOM 0 H ILE A 140 2.164 -4.432 -0.620 1.00 35.42 H new ATOM 0 HA ILE A 140 3.415 -4.900 -3.236 1.00 21.43 H new ATOM 0 HB ILE A 140 5.542 -4.044 -2.048 1.00 13.14 H new ATOM 0 HG12 ILE A 140 3.426 -2.766 -0.292 1.00 45.34 H new ATOM 0 HG13 ILE A 140 4.589 -3.973 0.219 1.00 45.34 H new ATOM 0 HG21 ILE A 140 5.043 -1.744 -2.742 1.00 40.11 H new ATOM 0 HG22 ILE A 140 4.486 -2.940 -3.936 1.00 40.11 H new ATOM 0 HG23 ILE A 140 3.315 -2.156 -2.849 1.00 40.11 H new ATOM 0 HD11 ILE A 140 5.275 -1.742 0.917 1.00 73.03 H new ATOM 0 HD12 ILE A 140 6.434 -2.414 -0.255 1.00 73.03 H new ATOM 0 HD13 ILE A 140 5.252 -1.189 -0.774 1.00 73.03 H new ATOM 2049 N MET A 141 4.028 -7.122 -2.447 1.00 64.31 N ATOM 2050 CA MET A 141 4.503 -8.407 -2.038 1.00 51.11 C ATOM 2051 C MET A 141 5.930 -8.523 -2.530 1.00 54.54 C ATOM 2052 O MET A 141 6.153 -8.968 -3.652 1.00 24.35 O ATOM 2053 CB MET A 141 3.646 -9.484 -2.716 1.00 32.43 C ATOM 2054 CG MET A 141 2.138 -9.345 -2.468 1.00 60.22 C ATOM 2055 SD MET A 141 1.126 -10.363 -3.580 1.00 24.41 S ATOM 2056 CE MET A 141 1.709 -12.006 -3.187 1.00 30.33 C ATOM 0 H MET A 141 3.673 -7.077 -3.402 1.00 64.31 H new ATOM 0 HA MET A 141 4.450 -8.530 -0.956 1.00 51.11 H new ATOM 0 HB2 MET A 141 3.829 -9.454 -3.790 1.00 32.43 H new ATOM 0 HB3 MET A 141 3.971 -10.463 -2.365 1.00 32.43 H new ATOM 0 HG2 MET A 141 1.920 -9.621 -1.436 1.00 60.22 H new ATOM 0 HG3 MET A 141 1.853 -8.299 -2.585 1.00 60.22 H new ATOM 0 HE1 MET A 141 1.339 -12.711 -3.932 1.00 30.33 H new ATOM 0 HE2 MET A 141 2.799 -12.015 -3.188 1.00 30.33 H new ATOM 0 HE3 MET A 141 1.345 -12.295 -2.201 1.00 30.33 H new ATOM 2066 N SER A 142 6.889 -8.146 -1.683 1.00 55.52 N ATOM 2067 CA SER A 142 8.346 -8.113 -2.048 1.00 23.13 C ATOM 2068 C SER A 142 9.250 -7.704 -0.863 1.00 15.41 C ATOM 2069 O SER A 142 10.233 -8.384 -0.581 1.00 70.53 O ATOM 2070 CB SER A 142 8.652 -7.123 -3.226 1.00 54.54 C ATOM 2071 OG SER A 142 8.113 -7.540 -4.476 1.00 51.55 O ATOM 0 H SER A 142 6.701 -7.852 -0.724 1.00 55.52 H new ATOM 0 HA SER A 142 8.568 -9.136 -2.351 1.00 23.13 H new ATOM 0 HB2 SER A 142 8.251 -6.140 -2.977 1.00 54.54 H new ATOM 0 HB3 SER A 142 9.732 -7.012 -3.325 1.00 54.54 H new ATOM 0 HG SER A 142 7.560 -8.338 -4.344 1.00 51.55 H new ATOM 2077 N LYS A 143 8.893 -6.591 -0.192 1.00 61.44 N ATOM 2078 CA LYS A 143 9.725 -5.953 0.860 1.00 52.34 C ATOM 2079 C LYS A 143 10.207 -6.944 1.925 1.00 20.25 C ATOM 2080 O LYS A 143 9.452 -7.800 2.389 1.00 53.11 O ATOM 2081 CB LYS A 143 8.962 -4.796 1.494 1.00 64.13 C ATOM 2082 CG LYS A 143 9.750 -3.976 2.504 1.00 24.13 C ATOM 2083 CD LYS A 143 8.898 -2.854 3.036 1.00 12.24 C ATOM 2084 CE LYS A 143 9.610 -2.024 4.087 1.00 33.53 C ATOM 2085 NZ LYS A 143 8.688 -1.037 4.697 1.00 72.11 N ATOM 0 H LYS A 143 8.014 -6.102 -0.362 1.00 61.44 H new ATOM 0 HA LYS A 143 10.624 -5.571 0.375 1.00 52.34 H new ATOM 0 HB2 LYS A 143 8.617 -4.132 0.702 1.00 64.13 H new ATOM 0 HB3 LYS A 143 8.074 -5.194 1.986 1.00 64.13 H new ATOM 0 HG2 LYS A 143 10.079 -4.614 3.324 1.00 24.13 H new ATOM 0 HG3 LYS A 143 10.647 -3.571 2.035 1.00 24.13 H new ATOM 0 HD2 LYS A 143 8.599 -2.208 2.211 1.00 12.24 H new ATOM 0 HD3 LYS A 143 7.985 -3.268 3.464 1.00 12.24 H new ATOM 0 HE2 LYS A 143 10.013 -2.678 4.861 1.00 33.53 H new ATOM 0 HE3 LYS A 143 10.456 -1.506 3.635 1.00 33.53 H new ATOM 0 HZ1 LYS A 143 9.237 -0.332 5.230 1.00 72.11 H new ATOM 0 HZ2 LYS A 143 8.146 -0.560 3.949 1.00 72.11 H new ATOM 0 HZ3 LYS A 143 8.034 -1.525 5.341 1.00 72.11 H new