USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1075 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 44 TYR OH : rot 180:sc= 0.784 USER MOD Set 1.2: A 56 SER OG : rot 147:sc= 0.878 USER MOD Set 2.1: A 33 THR OG1 : rot 36:sc= 0 USER MOD Set 2.2: A 65 LYS NZ :NH3+ -156:sc= 1.13 (180deg=0.739) USER MOD Single : A 8 SER OG : rot 27:sc= 0.089 USER MOD Single : A 9 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.1) USER MOD Single : A 10 ASN :FLIP amide:sc=-0.00387 F(o=-2.6!,f=-0.0039) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 145:sc= 1.29 USER MOD Single : A 30 THR OG1 : rot 38:sc= 0.194 USER MOD Single : A 39 HIS : no HD1:sc= -0.0776 X(o=-0.078,f=-0.051) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : +bothHN:sc= 0.611 K(o=0.61,f=-7!) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0397 (180deg=-0.292) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= -1.69 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0219 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.0221 X(o=-0.022,f=0) USER MOD Single : A 68 THR OG1 : rot -62:sc= 0.964 USER MOD Single : A 71 SER OG : rot 86:sc= 1.16 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 77 ASN : amide:sc= -3.37! C(o=-3.4!,f=-3.2!) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 86 TYR OH : rot 55:sc= 0.155 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.728 K(o=0.73,f=-1.4) USER MOD Single : A 99 SER OG : rot -7:sc= 0.983 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 160:sc= -0.0823 (180deg=-0.431) USER MOD Single : A 106 THR OG1 : rot 64:sc= 1.12 USER MOD Single : A 107 TYR OH : rot 150:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 160:sc=-6.84e-06 (180deg=-0.276) USER MOD Single : A 130 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.0036) USER MOD Single : A 133 LYS NZ :NH3+ 169:sc= 1.12 (180deg=0.927) USER MOD Single : A 137 THR OG1 : rot 57:sc= 0.232 USER MOD Single : A 140 LYS NZ :NH3+ -177:sc= 1.14 (180deg=0.979) USER MOD Single : A 141 MET CE :methyl 145:sc= -0.242 (180deg=-0.833) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 146 LYS NZ :NH3+ 171:sc= -0.0115 (180deg=-0.114) USER MOD Single : A 147 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 93 N SER A 8 8.587 -13.191 4.392 1.00 14.23 N ATOM 94 CA SER A 8 9.282 -12.048 3.905 1.00 24.13 C ATOM 95 C SER A 8 8.387 -10.816 3.918 1.00 33.30 C ATOM 96 O SER A 8 7.204 -10.888 4.226 1.00 72.43 O ATOM 97 CB SER A 8 9.788 -12.321 2.478 1.00 14.50 C ATOM 98 OG SER A 8 10.600 -13.495 2.422 1.00 15.21 O ATOM 0 HA SER A 8 10.131 -11.853 4.561 1.00 24.13 H new ATOM 0 HB2 SER A 8 8.938 -12.434 1.806 1.00 14.50 H new ATOM 0 HB3 SER A 8 10.362 -11.464 2.125 1.00 14.50 H new ATOM 0 HG SER A 8 10.338 -14.108 3.140 1.00 15.21 H new ATOM 104 N HIS A 9 8.982 -9.714 3.612 1.00 65.40 N ATOM 105 CA HIS A 9 8.333 -8.449 3.489 1.00 42.44 C ATOM 106 C HIS A 9 8.231 -8.085 2.039 1.00 74.42 C ATOM 107 O HIS A 9 9.020 -8.570 1.204 1.00 1.34 O ATOM 108 CB HIS A 9 9.121 -7.357 4.219 1.00 51.52 C ATOM 109 CG HIS A 9 9.019 -7.385 5.716 1.00 4.41 C ATOM 110 ND1 HIS A 9 9.929 -8.022 6.531 1.00 75.20 N ATOM 111 CD2 HIS A 9 8.123 -6.797 6.547 1.00 64.22 C ATOM 112 CE1 HIS A 9 9.600 -7.818 7.795 1.00 70.01 C ATOM 113 NE2 HIS A 9 8.510 -7.080 7.829 1.00 31.42 N ATOM 0 H HIS A 9 9.985 -9.666 3.431 1.00 65.40 H new ATOM 0 HA HIS A 9 7.341 -8.525 3.935 1.00 42.44 H new ATOM 0 HB2 HIS A 9 10.172 -7.443 3.941 1.00 51.52 H new ATOM 0 HB3 HIS A 9 8.776 -6.385 3.866 1.00 51.52 H new ATOM 0 HD2 HIS A 9 7.263 -6.214 6.252 1.00 64.22 H new ATOM 0 HE1 HIS A 9 10.135 -8.193 8.655 1.00 70.01 H new ATOM 0 HE2 HIS A 9 8.031 -6.769 8.674 1.00 31.42 H new ATOM 122 N ASN A 10 7.289 -7.257 1.735 1.00 64.32 N ATOM 123 CA ASN A 10 7.073 -6.773 0.393 1.00 21.22 C ATOM 124 C ASN A 10 6.862 -5.290 0.524 1.00 24.11 C ATOM 125 O ASN A 10 5.990 -4.856 1.269 1.00 54.03 O ATOM 126 CB ASN A 10 5.837 -7.451 -0.231 1.00 34.21 C ATOM 127 CG ASN A 10 5.943 -8.977 -0.237 1.00 54.14 C ATOM 128 OD1 ASN A 10 6.456 -9.535 -1.294 1.00 23.53 O flip ATOM 129 ND2 ASN A 10 5.549 -9.638 0.717 1.00 3.24 N flip ATOM 0 H ASN A 10 6.629 -6.884 2.418 1.00 64.32 H new ATOM 0 HA ASN A 10 7.917 -6.998 -0.259 1.00 21.22 H new ATOM 0 HB2 ASN A 10 4.946 -7.155 0.323 1.00 34.21 H new ATOM 0 HB3 ASN A 10 5.710 -7.095 -1.253 1.00 34.21 H new ATOM 0 HD21 ASN A 10 5.151 -9.171 1.532 1.00 3.24 H new ATOM 0 HD22 ASN A 10 5.619 -10.655 0.696 1.00 3.24 H new ATOM 136 N VAL A 11 7.662 -4.508 -0.146 1.00 43.04 N ATOM 137 CA VAL A 11 7.631 -3.075 0.083 1.00 62.32 C ATOM 138 C VAL A 11 7.301 -2.307 -1.200 1.00 62.42 C ATOM 139 O VAL A 11 7.999 -2.437 -2.194 1.00 54.32 O ATOM 140 CB VAL A 11 9.008 -2.574 0.602 1.00 1.21 C ATOM 141 CG1 VAL A 11 8.899 -1.180 1.192 1.00 72.40 C ATOM 142 CG2 VAL A 11 9.642 -3.545 1.591 1.00 45.11 C ATOM 0 H VAL A 11 8.335 -4.823 -0.845 1.00 43.04 H new ATOM 0 HA VAL A 11 6.855 -2.892 0.826 1.00 62.32 H new ATOM 0 HB VAL A 11 9.672 -2.524 -0.261 1.00 1.21 H new ATOM 0 HG11 VAL A 11 9.878 -0.857 1.546 1.00 72.40 H new ATOM 0 HG12 VAL A 11 8.543 -0.488 0.428 1.00 72.40 H new ATOM 0 HG13 VAL A 11 8.197 -1.192 2.026 1.00 72.40 H new ATOM 0 HG21 VAL A 11 10.602 -3.150 1.924 1.00 45.11 H new ATOM 0 HG22 VAL A 11 8.983 -3.671 2.450 1.00 45.11 H new ATOM 0 HG23 VAL A 11 9.795 -4.509 1.107 1.00 45.11 H new ATOM 152 N PHE A 12 6.245 -1.517 -1.162 1.00 61.34 N ATOM 153 CA PHE A 12 5.870 -0.643 -2.273 1.00 54.33 C ATOM 154 C PHE A 12 6.680 0.625 -2.144 1.00 14.41 C ATOM 155 O PHE A 12 6.450 1.421 -1.221 1.00 60.55 O ATOM 156 CB PHE A 12 4.348 -0.309 -2.223 1.00 51.40 C ATOM 157 CG PHE A 12 3.845 0.635 -3.313 1.00 51.10 C ATOM 158 CD1 PHE A 12 3.911 2.011 -3.138 1.00 4.22 C ATOM 159 CD2 PHE A 12 3.300 0.149 -4.500 1.00 4.03 C ATOM 160 CE1 PHE A 12 3.457 2.874 -4.110 1.00 23.20 C ATOM 161 CE2 PHE A 12 2.846 1.014 -5.471 1.00 32.20 C ATOM 162 CZ PHE A 12 2.926 2.375 -5.278 1.00 10.23 C ATOM 0 H PHE A 12 5.617 -1.458 -0.360 1.00 61.34 H new ATOM 0 HA PHE A 12 6.069 -1.138 -3.224 1.00 54.33 H new ATOM 0 HB2 PHE A 12 3.787 -1.241 -2.287 1.00 51.40 H new ATOM 0 HB3 PHE A 12 4.123 0.132 -1.252 1.00 51.40 H new ATOM 0 HD1 PHE A 12 4.325 2.411 -2.224 1.00 4.22 H new ATOM 0 HD2 PHE A 12 3.233 -0.917 -4.660 1.00 4.03 H new ATOM 0 HE1 PHE A 12 3.517 3.941 -3.956 1.00 23.20 H new ATOM 0 HE2 PHE A 12 2.426 0.624 -6.386 1.00 32.20 H new ATOM 0 HZ PHE A 12 2.572 3.051 -6.043 1.00 10.23 H new ATOM 172 N VAL A 13 7.636 0.812 -3.014 1.00 75.44 N ATOM 173 CA VAL A 13 8.472 1.980 -2.921 1.00 22.42 C ATOM 174 C VAL A 13 8.414 2.786 -4.207 1.00 53.25 C ATOM 175 O VAL A 13 8.220 2.239 -5.293 1.00 71.35 O ATOM 176 CB VAL A 13 9.968 1.604 -2.620 1.00 61.52 C ATOM 177 CG1 VAL A 13 10.835 2.845 -2.417 1.00 4.22 C ATOM 178 CG2 VAL A 13 10.075 0.695 -1.415 1.00 24.13 C ATOM 0 H VAL A 13 7.854 0.181 -3.785 1.00 75.44 H new ATOM 0 HA VAL A 13 8.089 2.578 -2.094 1.00 22.42 H new ATOM 0 HB VAL A 13 10.340 1.070 -3.494 1.00 61.52 H new ATOM 0 HG11 VAL A 13 11.862 2.542 -2.211 1.00 4.22 H new ATOM 0 HG12 VAL A 13 10.811 3.457 -3.319 1.00 4.22 H new ATOM 0 HG13 VAL A 13 10.452 3.423 -1.576 1.00 4.22 H new ATOM 0 HG21 VAL A 13 11.122 0.453 -1.233 1.00 24.13 H new ATOM 0 HG22 VAL A 13 9.662 1.199 -0.541 1.00 24.13 H new ATOM 0 HG23 VAL A 13 9.518 -0.223 -1.601 1.00 24.13 H new ATOM 188 N TYR A 14 8.541 4.076 -4.065 1.00 60.14 N ATOM 189 CA TYR A 14 8.711 4.960 -5.167 1.00 52.35 C ATOM 190 C TYR A 14 9.946 5.777 -4.843 1.00 11.30 C ATOM 191 O TYR A 14 9.877 6.712 -4.047 1.00 64.34 O ATOM 192 CB TYR A 14 7.482 5.875 -5.366 1.00 64.25 C ATOM 193 CG TYR A 14 7.544 6.725 -6.627 1.00 32.12 C ATOM 194 CD1 TYR A 14 8.178 7.964 -6.639 1.00 3.43 C ATOM 195 CD2 TYR A 14 6.976 6.275 -7.811 1.00 2.24 C ATOM 196 CE1 TYR A 14 8.243 8.724 -7.791 1.00 74.43 C ATOM 197 CE2 TYR A 14 7.036 7.029 -8.966 1.00 71.44 C ATOM 198 CZ TYR A 14 7.673 8.251 -8.952 1.00 11.51 C ATOM 199 OH TYR A 14 7.743 9.005 -10.107 1.00 50.52 O ATOM 0 H TYR A 14 8.528 4.544 -3.159 1.00 60.14 H new ATOM 0 HA TYR A 14 8.820 4.407 -6.100 1.00 52.35 H new ATOM 0 HB2 TYR A 14 6.584 5.258 -5.399 1.00 64.25 H new ATOM 0 HB3 TYR A 14 7.386 6.532 -4.501 1.00 64.25 H new ATOM 0 HD1 TYR A 14 8.627 8.338 -5.731 1.00 3.43 H new ATOM 0 HD2 TYR A 14 6.478 5.317 -7.829 1.00 2.24 H new ATOM 0 HE1 TYR A 14 8.738 9.684 -7.781 1.00 74.43 H new ATOM 0 HE2 TYR A 14 6.586 6.663 -9.877 1.00 71.44 H new ATOM 0 HH TYR A 14 7.293 8.529 -10.836 1.00 50.52 H new ATOM 209 N GLY A 15 11.088 5.373 -5.370 1.00 63.11 N ATOM 210 CA GLY A 15 12.291 6.081 -5.050 1.00 54.15 C ATOM 211 C GLY A 15 13.570 5.321 -5.361 1.00 15.33 C ATOM 212 O GLY A 15 13.625 4.515 -6.299 1.00 12.55 O ATOM 0 H GLY A 15 11.197 4.580 -6.003 1.00 63.11 H new ATOM 0 HA2 GLY A 15 12.300 7.023 -5.598 1.00 54.15 H new ATOM 0 HA3 GLY A 15 12.280 6.330 -3.989 1.00 54.15 H new ATOM 216 N SER A 16 14.546 5.555 -4.513 1.00 61.20 N ATOM 217 CA SER A 16 15.945 5.140 -4.631 1.00 51.44 C ATOM 218 C SER A 16 16.210 3.680 -5.103 1.00 74.44 C ATOM 219 O SER A 16 16.820 3.462 -6.143 1.00 14.55 O ATOM 220 CB SER A 16 16.575 5.328 -3.266 1.00 21.12 C ATOM 221 OG SER A 16 16.230 6.599 -2.728 1.00 54.25 O ATOM 0 H SER A 16 14.380 6.080 -3.654 1.00 61.20 H new ATOM 0 HA SER A 16 16.375 5.757 -5.420 1.00 51.44 H new ATOM 0 HB2 SER A 16 16.240 4.539 -2.593 1.00 21.12 H new ATOM 0 HB3 SER A 16 17.659 5.242 -3.344 1.00 21.12 H new ATOM 0 HG SER A 16 16.126 6.526 -1.756 1.00 54.25 H new ATOM 227 N ILE A 17 15.754 2.706 -4.349 1.00 31.54 N ATOM 228 CA ILE A 17 16.183 1.318 -4.577 1.00 75.04 C ATOM 229 C ILE A 17 15.315 0.551 -5.572 1.00 64.53 C ATOM 230 O ILE A 17 15.388 -0.668 -5.646 1.00 52.40 O ATOM 231 CB ILE A 17 16.315 0.517 -3.244 1.00 52.52 C ATOM 232 CG1 ILE A 17 14.973 0.089 -2.629 1.00 42.11 C ATOM 233 CG2 ILE A 17 17.128 1.293 -2.236 1.00 24.11 C ATOM 234 CD1 ILE A 17 13.955 1.159 -2.330 1.00 34.22 C ATOM 0 H ILE A 17 15.096 2.831 -3.580 1.00 31.54 H new ATOM 0 HA ILE A 17 17.169 1.409 -5.032 1.00 75.04 H new ATOM 0 HB ILE A 17 16.832 -0.406 -3.507 1.00 52.52 H new ATOM 0 HG12 ILE A 17 14.511 -0.631 -3.305 1.00 42.11 H new ATOM 0 HG13 ILE A 17 15.186 -0.438 -1.699 1.00 42.11 H new ATOM 0 HG21 ILE A 17 17.209 0.718 -1.313 1.00 24.11 H new ATOM 0 HG22 ILE A 17 18.125 1.477 -2.637 1.00 24.11 H new ATOM 0 HG23 ILE A 17 16.638 2.245 -2.029 1.00 24.11 H new ATOM 0 HD11 ILE A 17 13.063 0.703 -1.901 1.00 34.22 H new ATOM 0 HD12 ILE A 17 14.375 1.873 -1.621 1.00 34.22 H new ATOM 0 HD13 ILE A 17 13.690 1.677 -3.252 1.00 34.22 H new ATOM 246 N LEU A 18 14.529 1.261 -6.372 1.00 33.02 N ATOM 247 CA LEU A 18 13.705 0.589 -7.377 1.00 65.23 C ATOM 248 C LEU A 18 14.547 0.088 -8.524 1.00 22.54 C ATOM 249 O LEU A 18 14.106 -0.763 -9.320 1.00 50.21 O ATOM 250 CB LEU A 18 12.587 1.469 -7.903 1.00 35.24 C ATOM 251 CG LEU A 18 11.518 1.878 -6.911 1.00 61.33 C ATOM 252 CD1 LEU A 18 10.413 2.633 -7.622 1.00 23.52 C ATOM 253 CD2 LEU A 18 10.971 0.662 -6.169 1.00 22.40 C ATOM 0 H LEU A 18 14.443 2.277 -6.350 1.00 33.02 H new ATOM 0 HA LEU A 18 13.244 -0.260 -6.873 1.00 65.23 H new ATOM 0 HB2 LEU A 18 13.032 2.374 -8.316 1.00 35.24 H new ATOM 0 HB3 LEU A 18 12.103 0.947 -8.729 1.00 35.24 H new ATOM 0 HG LEU A 18 11.963 2.540 -6.168 1.00 61.33 H new ATOM 0 HD11 LEU A 18 9.649 2.923 -6.901 1.00 23.52 H new ATOM 0 HD12 LEU A 18 10.826 3.525 -8.092 1.00 23.52 H new ATOM 0 HD13 LEU A 18 9.968 1.994 -8.385 1.00 23.52 H new ATOM 0 HD21 LEU A 18 10.205 0.981 -5.462 1.00 22.40 H new ATOM 0 HD22 LEU A 18 10.536 -0.036 -6.885 1.00 22.40 H new ATOM 0 HD23 LEU A 18 11.780 0.171 -5.629 1.00 22.40 H new ATOM 265 N GLU A 19 15.741 0.617 -8.620 1.00 44.32 N ATOM 266 CA GLU A 19 16.663 0.183 -9.621 1.00 12.11 C ATOM 267 C GLU A 19 17.327 -1.116 -9.170 1.00 23.21 C ATOM 268 O GLU A 19 17.891 -1.176 -8.064 1.00 61.43 O ATOM 269 CB GLU A 19 17.703 1.264 -9.958 1.00 1.34 C ATOM 270 CG GLU A 19 17.170 2.472 -10.753 1.00 54.41 C ATOM 271 CD GLU A 19 16.134 3.307 -10.036 1.00 53.32 C ATOM 272 OE1 GLU A 19 16.524 4.192 -9.251 1.00 62.35 O ATOM 273 OE2 GLU A 19 14.921 3.124 -10.284 1.00 62.15 O ATOM 0 H GLU A 19 16.092 1.354 -8.009 1.00 44.32 H new ATOM 0 HA GLU A 19 16.111 -0.002 -10.542 1.00 12.11 H new ATOM 0 HB2 GLU A 19 18.139 1.627 -9.027 1.00 1.34 H new ATOM 0 HB3 GLU A 19 18.509 0.803 -10.528 1.00 1.34 H new ATOM 0 HG2 GLU A 19 18.011 3.113 -11.017 1.00 54.41 H new ATOM 0 HG3 GLU A 19 16.740 2.111 -11.687 1.00 54.41 H new ATOM 280 N PRO A 20 17.261 -2.175 -10.024 1.00 24.52 N ATOM 281 CA PRO A 20 17.748 -3.531 -9.705 1.00 13.41 C ATOM 282 C PRO A 20 19.139 -3.580 -9.070 1.00 4.41 C ATOM 283 O PRO A 20 19.373 -4.389 -8.167 1.00 32.32 O ATOM 284 CB PRO A 20 17.742 -4.264 -11.058 1.00 72.13 C ATOM 285 CG PRO A 20 17.434 -3.224 -12.083 1.00 74.24 C ATOM 286 CD PRO A 20 16.694 -2.132 -11.375 1.00 30.55 C ATOM 0 HA PRO A 20 17.109 -3.987 -8.949 1.00 13.41 H new ATOM 0 HB2 PRO A 20 18.707 -4.732 -11.253 1.00 72.13 H new ATOM 0 HB3 PRO A 20 16.995 -5.058 -11.069 1.00 72.13 H new ATOM 0 HG2 PRO A 20 18.350 -2.842 -12.535 1.00 74.24 H new ATOM 0 HG3 PRO A 20 16.831 -3.641 -12.889 1.00 74.24 H new ATOM 0 HD2 PRO A 20 16.853 -1.163 -11.849 1.00 30.55 H new ATOM 0 HD3 PRO A 20 15.619 -2.311 -11.368 1.00 30.55 H new ATOM 294 N ALA A 21 20.044 -2.717 -9.526 1.00 22.13 N ATOM 295 CA ALA A 21 21.391 -2.666 -8.974 1.00 13.12 C ATOM 296 C ALA A 21 21.343 -2.339 -7.490 1.00 71.24 C ATOM 297 O ALA A 21 21.688 -3.167 -6.668 1.00 2.13 O ATOM 298 CB ALA A 21 22.241 -1.651 -9.715 1.00 50.34 C ATOM 0 H ALA A 21 19.868 -2.046 -10.274 1.00 22.13 H new ATOM 0 HA ALA A 21 21.849 -3.647 -9.100 1.00 13.12 H new ATOM 0 HB1 ALA A 21 23.242 -1.631 -9.284 1.00 50.34 H new ATOM 0 HB2 ALA A 21 22.304 -1.928 -10.767 1.00 50.34 H new ATOM 0 HB3 ALA A 21 21.788 -0.663 -9.626 1.00 50.34 H new ATOM 304 N VAL A 22 20.865 -1.140 -7.169 1.00 64.22 N ATOM 305 CA VAL A 22 20.722 -0.662 -5.817 1.00 55.15 C ATOM 306 C VAL A 22 19.862 -1.624 -4.974 1.00 10.50 C ATOM 307 O VAL A 22 20.088 -1.784 -3.791 1.00 15.43 O ATOM 308 CB VAL A 22 20.072 0.743 -5.803 1.00 63.33 C ATOM 309 CG1 VAL A 22 20.020 1.291 -4.392 1.00 10.53 C ATOM 310 CG2 VAL A 22 20.831 1.685 -6.712 1.00 73.13 C ATOM 0 H VAL A 22 20.561 -0.463 -7.869 1.00 64.22 H new ATOM 0 HA VAL A 22 21.720 -0.607 -5.383 1.00 55.15 H new ATOM 0 HB VAL A 22 19.051 0.655 -6.174 1.00 63.33 H new ATOM 0 HG11 VAL A 22 19.560 2.279 -4.402 1.00 10.53 H new ATOM 0 HG12 VAL A 22 19.431 0.623 -3.764 1.00 10.53 H new ATOM 0 HG13 VAL A 22 21.032 1.366 -3.993 1.00 10.53 H new ATOM 0 HG21 VAL A 22 20.361 2.668 -6.691 1.00 73.13 H new ATOM 0 HG22 VAL A 22 21.863 1.768 -6.370 1.00 73.13 H new ATOM 0 HG23 VAL A 22 20.817 1.298 -7.731 1.00 73.13 H new ATOM 320 N ALA A 23 18.897 -2.269 -5.603 1.00 45.34 N ATOM 321 CA ALA A 23 18.061 -3.253 -4.917 1.00 32.40 C ATOM 322 C ALA A 23 18.884 -4.478 -4.473 1.00 30.10 C ATOM 323 O ALA A 23 18.632 -5.064 -3.420 1.00 24.12 O ATOM 324 CB ALA A 23 16.902 -3.668 -5.794 1.00 54.45 C ATOM 0 H ALA A 23 18.668 -2.133 -6.588 1.00 45.34 H new ATOM 0 HA ALA A 23 17.661 -2.785 -4.018 1.00 32.40 H new ATOM 0 HB1 ALA A 23 16.291 -4.401 -5.267 1.00 54.45 H new ATOM 0 HB2 ALA A 23 16.296 -2.794 -6.033 1.00 54.45 H new ATOM 0 HB3 ALA A 23 17.283 -4.109 -6.715 1.00 54.45 H new ATOM 330 N ALA A 24 19.887 -4.836 -5.259 1.00 51.12 N ATOM 331 CA ALA A 24 20.770 -5.947 -4.894 1.00 42.34 C ATOM 332 C ALA A 24 21.794 -5.445 -3.908 1.00 62.51 C ATOM 333 O ALA A 24 22.254 -6.152 -3.044 1.00 71.31 O ATOM 334 CB ALA A 24 21.451 -6.541 -6.121 1.00 75.03 C ATOM 0 H ALA A 24 20.113 -4.384 -6.145 1.00 51.12 H new ATOM 0 HA ALA A 24 20.177 -6.741 -4.441 1.00 42.34 H new ATOM 0 HB1 ALA A 24 22.099 -7.363 -5.816 1.00 75.03 H new ATOM 0 HB2 ALA A 24 20.695 -6.913 -6.813 1.00 75.03 H new ATOM 0 HB3 ALA A 24 22.047 -5.773 -6.614 1.00 75.03 H new ATOM 340 N VAL A 25 22.108 -4.205 -4.061 1.00 4.15 N ATOM 341 CA VAL A 25 23.004 -3.458 -3.204 1.00 20.34 C ATOM 342 C VAL A 25 22.419 -3.301 -1.772 1.00 43.34 C ATOM 343 O VAL A 25 23.155 -3.300 -0.784 1.00 34.54 O ATOM 344 CB VAL A 25 23.244 -2.081 -3.887 1.00 43.44 C ATOM 345 CG1 VAL A 25 23.843 -1.037 -3.001 1.00 1.54 C ATOM 346 CG2 VAL A 25 24.102 -2.243 -5.128 1.00 65.12 C ATOM 0 H VAL A 25 21.734 -3.642 -4.825 1.00 4.15 H new ATOM 0 HA VAL A 25 23.949 -3.986 -3.080 1.00 20.34 H new ATOM 0 HB VAL A 25 22.249 -1.721 -4.149 1.00 43.44 H new ATOM 0 HG11 VAL A 25 23.973 -0.113 -3.564 1.00 1.54 H new ATOM 0 HG12 VAL A 25 23.182 -0.856 -2.154 1.00 1.54 H new ATOM 0 HG13 VAL A 25 24.812 -1.380 -2.638 1.00 1.54 H new ATOM 0 HG21 VAL A 25 24.259 -1.269 -5.592 1.00 65.12 H new ATOM 0 HG22 VAL A 25 25.065 -2.672 -4.851 1.00 65.12 H new ATOM 0 HG23 VAL A 25 23.600 -2.904 -5.834 1.00 65.12 H new ATOM 356 N ILE A 26 21.105 -3.185 -1.668 1.00 1.55 N ATOM 357 CA ILE A 26 20.470 -3.030 -0.376 1.00 43.04 C ATOM 358 C ILE A 26 20.152 -4.381 0.298 1.00 62.32 C ATOM 359 O ILE A 26 20.388 -4.552 1.503 1.00 45.42 O ATOM 360 CB ILE A 26 19.195 -2.125 -0.430 1.00 2.20 C ATOM 361 CG1 ILE A 26 18.658 -1.937 0.974 1.00 24.12 C ATOM 362 CG2 ILE A 26 18.145 -2.733 -1.330 1.00 42.52 C ATOM 363 CD1 ILE A 26 17.861 -0.709 1.157 1.00 42.41 C ATOM 0 H ILE A 26 20.463 -3.195 -2.460 1.00 1.55 H new ATOM 0 HA ILE A 26 21.207 -2.519 0.244 1.00 43.04 H new ATOM 0 HB ILE A 26 19.461 -1.153 -0.845 1.00 2.20 H new ATOM 0 HG12 ILE A 26 18.043 -2.798 1.234 1.00 24.12 H new ATOM 0 HG13 ILE A 26 19.495 -1.921 1.672 1.00 24.12 H new ATOM 0 HG21 ILE A 26 17.267 -2.087 -1.353 1.00 42.52 H new ATOM 0 HG22 ILE A 26 18.546 -2.836 -2.338 1.00 42.52 H new ATOM 0 HG23 ILE A 26 17.863 -3.715 -0.949 1.00 42.52 H new ATOM 0 HD11 ILE A 26 17.514 -0.651 2.189 1.00 42.41 H new ATOM 0 HD12 ILE A 26 18.477 0.162 0.931 1.00 42.41 H new ATOM 0 HD13 ILE A 26 17.002 -0.729 0.486 1.00 42.41 H new ATOM 375 N LEU A 27 19.648 -5.324 -0.476 1.00 12.33 N ATOM 376 CA LEU A 27 19.243 -6.628 0.043 1.00 21.41 C ATOM 377 C LEU A 27 20.397 -7.594 0.118 1.00 25.21 C ATOM 378 O LEU A 27 20.425 -8.461 0.983 1.00 70.34 O ATOM 379 CB LEU A 27 18.151 -7.225 -0.847 1.00 14.11 C ATOM 380 CG LEU A 27 16.794 -6.541 -0.816 1.00 74.32 C ATOM 381 CD1 LEU A 27 15.868 -7.166 -1.828 1.00 62.14 C ATOM 382 CD2 LEU A 27 16.193 -6.649 0.561 1.00 11.03 C ATOM 0 H LEU A 27 19.506 -5.214 -1.480 1.00 12.33 H new ATOM 0 HA LEU A 27 18.868 -6.470 1.054 1.00 21.41 H new ATOM 0 HB2 LEU A 27 18.511 -7.220 -1.876 1.00 14.11 H new ATOM 0 HB3 LEU A 27 18.013 -8.268 -0.562 1.00 14.11 H new ATOM 0 HG LEU A 27 16.929 -5.489 -1.066 1.00 74.32 H new ATOM 0 HD11 LEU A 27 14.900 -6.665 -1.794 1.00 62.14 H new ATOM 0 HD12 LEU A 27 16.295 -7.062 -2.825 1.00 62.14 H new ATOM 0 HD13 LEU A 27 15.738 -8.223 -1.598 1.00 62.14 H new ATOM 0 HD21 LEU A 27 15.221 -6.156 0.573 1.00 11.03 H new ATOM 0 HD22 LEU A 27 16.070 -7.700 0.823 1.00 11.03 H new ATOM 0 HD23 LEU A 27 16.852 -6.169 1.284 1.00 11.03 H new ATOM 394 N ASP A 28 21.348 -7.412 -0.795 1.00 52.11 N ATOM 395 CA ASP A 28 22.501 -8.312 -1.018 1.00 3.31 C ATOM 396 C ASP A 28 22.059 -9.489 -1.890 1.00 74.24 C ATOM 397 O ASP A 28 22.838 -10.367 -2.248 1.00 54.34 O ATOM 398 CB ASP A 28 23.205 -8.755 0.300 1.00 4.33 C ATOM 399 CG ASP A 28 24.455 -9.584 0.081 1.00 33.01 C ATOM 400 OD1 ASP A 28 25.521 -8.996 -0.264 1.00 12.12 O ATOM 401 OD2 ASP A 28 24.412 -10.821 0.247 1.00 13.44 O ATOM 0 H ASP A 28 21.347 -6.611 -1.426 1.00 52.11 H new ATOM 0 HA ASP A 28 23.272 -7.755 -1.551 1.00 3.31 H new ATOM 0 HB2 ASP A 28 23.466 -7.868 0.877 1.00 4.33 H new ATOM 0 HB3 ASP A 28 22.500 -9.330 0.901 1.00 4.33 H new ATOM 406 N ARG A 29 20.792 -9.448 -2.286 1.00 62.14 N ATOM 407 CA ARG A 29 20.207 -10.474 -3.120 1.00 35.31 C ATOM 408 C ARG A 29 19.605 -9.785 -4.312 1.00 32.14 C ATOM 409 O ARG A 29 19.395 -8.575 -4.274 1.00 3.12 O ATOM 410 CB ARG A 29 19.070 -11.212 -2.396 1.00 25.23 C ATOM 411 CG ARG A 29 19.372 -11.686 -0.992 1.00 11.35 C ATOM 412 CD ARG A 29 18.226 -12.529 -0.459 1.00 43.42 C ATOM 413 NE ARG A 29 18.348 -12.780 0.969 1.00 20.44 N ATOM 414 CZ ARG A 29 17.918 -13.867 1.611 1.00 73.42 C ATOM 415 NH1 ARG A 29 17.303 -14.846 0.947 1.00 60.25 N ATOM 416 NH2 ARG A 29 18.085 -13.958 2.925 1.00 14.40 N ATOM 0 H ARG A 29 20.147 -8.699 -2.034 1.00 62.14 H new ATOM 0 HA ARG A 29 20.979 -11.196 -3.387 1.00 35.31 H new ATOM 0 HB2 ARG A 29 18.203 -10.552 -2.356 1.00 25.23 H new ATOM 0 HB3 ARG A 29 18.785 -12.076 -2.996 1.00 25.23 H new ATOM 0 HG2 ARG A 29 20.293 -12.269 -0.989 1.00 11.35 H new ATOM 0 HG3 ARG A 29 19.535 -10.829 -0.339 1.00 11.35 H new ATOM 0 HD2 ARG A 29 17.281 -12.023 -0.658 1.00 43.42 H new ATOM 0 HD3 ARG A 29 18.197 -13.479 -0.992 1.00 43.42 H new ATOM 0 HE ARG A 29 18.803 -12.060 1.530 1.00 20.44 H new ATOM 0 HH11 ARG A 29 17.158 -14.767 -0.060 1.00 60.25 H new ATOM 0 HH12 ARG A 29 16.977 -15.674 1.446 1.00 60.25 H new ATOM 0 HH21 ARG A 29 18.539 -13.200 3.435 1.00 14.40 H new ATOM 0 HH22 ARG A 29 17.759 -14.786 3.424 1.00 14.40 H new ATOM 430 N THR A 30 19.311 -10.519 -5.353 1.00 2.00 N ATOM 431 CA THR A 30 18.664 -9.930 -6.490 1.00 52.25 C ATOM 432 C THR A 30 17.190 -9.724 -6.170 1.00 12.52 C ATOM 433 O THR A 30 16.447 -10.695 -5.937 1.00 3.22 O ATOM 434 CB THR A 30 18.849 -10.784 -7.755 1.00 72.00 C ATOM 435 OG1 THR A 30 18.467 -12.139 -7.484 1.00 31.02 O ATOM 436 CG2 THR A 30 20.294 -10.742 -8.216 1.00 13.21 C ATOM 0 H THR A 30 19.508 -11.516 -5.435 1.00 2.00 H new ATOM 0 HA THR A 30 19.125 -8.965 -6.699 1.00 52.25 H new ATOM 0 HB THR A 30 18.217 -10.380 -8.546 1.00 72.00 H new ATOM 0 HG1 THR A 30 17.686 -12.147 -6.892 1.00 31.02 H new ATOM 0 HG21 THR A 30 20.408 -11.352 -9.112 1.00 13.21 H new ATOM 0 HG22 THR A 30 20.575 -9.713 -8.439 1.00 13.21 H new ATOM 0 HG23 THR A 30 20.939 -11.131 -7.428 1.00 13.21 H new ATOM 444 N ALA A 31 16.790 -8.481 -6.125 1.00 45.45 N ATOM 445 CA ALA A 31 15.457 -8.109 -5.730 1.00 70.22 C ATOM 446 C ALA A 31 14.479 -8.275 -6.845 1.00 14.21 C ATOM 447 O ALA A 31 14.762 -7.909 -7.994 1.00 31.12 O ATOM 448 CB ALA A 31 15.435 -6.682 -5.274 1.00 32.12 C ATOM 0 H ALA A 31 17.387 -7.689 -6.364 1.00 45.45 H new ATOM 0 HA ALA A 31 15.166 -8.771 -4.915 1.00 70.22 H new ATOM 0 HB1 ALA A 31 14.422 -6.410 -4.977 1.00 32.12 H new ATOM 0 HB2 ALA A 31 16.107 -6.561 -4.424 1.00 32.12 H new ATOM 0 HB3 ALA A 31 15.760 -6.035 -6.088 1.00 32.12 H new ATOM 454 N ASP A 32 13.344 -8.828 -6.539 1.00 43.11 N ATOM 455 CA ASP A 32 12.319 -8.934 -7.524 1.00 40.54 C ATOM 456 C ASP A 32 11.315 -7.835 -7.323 1.00 55.32 C ATOM 457 O ASP A 32 10.592 -7.803 -6.308 1.00 60.22 O ATOM 458 CB ASP A 32 11.632 -10.306 -7.510 1.00 23.53 C ATOM 459 CG ASP A 32 10.581 -10.436 -8.604 1.00 12.42 C ATOM 460 OD1 ASP A 32 10.959 -10.685 -9.771 1.00 15.14 O ATOM 461 OD2 ASP A 32 9.376 -10.288 -8.323 1.00 24.44 O ATOM 0 H ASP A 32 13.109 -9.209 -5.622 1.00 43.11 H new ATOM 0 HA ASP A 32 12.785 -8.830 -8.504 1.00 40.54 H new ATOM 0 HB2 ASP A 32 12.382 -11.087 -7.635 1.00 23.53 H new ATOM 0 HB3 ASP A 32 11.164 -10.466 -6.539 1.00 23.53 H new ATOM 466 N THR A 33 11.304 -6.913 -8.231 1.00 33.32 N ATOM 467 CA THR A 33 10.336 -5.883 -8.217 1.00 0.20 C ATOM 468 C THR A 33 9.381 -6.057 -9.352 1.00 23.44 C ATOM 469 O THR A 33 9.764 -6.490 -10.451 1.00 10.43 O ATOM 470 CB THR A 33 10.939 -4.458 -8.296 1.00 61.42 C ATOM 471 OG1 THR A 33 12.024 -4.376 -9.224 1.00 12.15 O ATOM 472 CG2 THR A 33 11.316 -3.887 -6.957 1.00 64.14 C ATOM 0 H THR A 33 11.970 -6.859 -9.001 1.00 33.32 H new ATOM 0 HA THR A 33 9.828 -5.970 -7.257 1.00 0.20 H new ATOM 0 HB THR A 33 10.133 -3.831 -8.676 1.00 61.42 H new ATOM 0 HG1 THR A 33 11.843 -4.959 -9.991 1.00 12.15 H new ATOM 0 HG21 THR A 33 11.731 -2.888 -7.091 1.00 64.14 H new ATOM 0 HG22 THR A 33 10.431 -3.830 -6.323 1.00 64.14 H new ATOM 0 HG23 THR A 33 12.060 -4.528 -6.484 1.00 64.14 H new ATOM 480 N VAL A 34 8.168 -5.740 -9.102 1.00 44.03 N ATOM 481 CA VAL A 34 7.153 -5.737 -10.102 1.00 50.20 C ATOM 482 C VAL A 34 6.388 -4.453 -9.960 1.00 22.00 C ATOM 483 O VAL A 34 6.203 -3.973 -8.824 1.00 64.40 O ATOM 484 CB VAL A 34 6.183 -6.965 -9.996 1.00 33.25 C ATOM 485 CG1 VAL A 34 6.904 -8.264 -10.321 1.00 13.33 C ATOM 486 CG2 VAL A 34 5.566 -7.054 -8.610 1.00 41.22 C ATOM 0 H VAL A 34 7.838 -5.468 -8.176 1.00 44.03 H new ATOM 0 HA VAL A 34 7.624 -5.817 -11.082 1.00 50.20 H new ATOM 0 HB VAL A 34 5.388 -6.815 -10.726 1.00 33.25 H new ATOM 0 HG11 VAL A 34 6.206 -9.098 -10.239 1.00 13.33 H new ATOM 0 HG12 VAL A 34 7.297 -8.218 -11.337 1.00 13.33 H new ATOM 0 HG13 VAL A 34 7.726 -8.409 -9.620 1.00 13.33 H new ATOM 0 HG21 VAL A 34 4.898 -7.914 -8.564 1.00 41.22 H new ATOM 0 HG22 VAL A 34 6.355 -7.167 -7.867 1.00 41.22 H new ATOM 0 HG23 VAL A 34 5.002 -6.145 -8.404 1.00 41.22 H new ATOM 496 N PRO A 35 6.004 -3.823 -11.073 1.00 51.12 N ATOM 497 CA PRO A 35 5.197 -2.624 -11.027 1.00 51.44 C ATOM 498 C PRO A 35 3.877 -2.928 -10.347 1.00 23.32 C ATOM 499 O PRO A 35 3.279 -3.976 -10.582 1.00 41.04 O ATOM 500 CB PRO A 35 4.981 -2.254 -12.503 1.00 73.52 C ATOM 501 CG PRO A 35 5.302 -3.493 -13.261 1.00 74.11 C ATOM 502 CD PRO A 35 6.330 -4.219 -12.454 1.00 13.01 C ATOM 0 HA PRO A 35 5.663 -1.813 -10.468 1.00 51.44 H new ATOM 0 HB2 PRO A 35 3.954 -1.935 -12.684 1.00 73.52 H new ATOM 0 HB3 PRO A 35 5.628 -1.429 -12.802 1.00 73.52 H new ATOM 0 HG2 PRO A 35 4.412 -4.106 -13.400 1.00 74.11 H new ATOM 0 HG3 PRO A 35 5.683 -3.255 -14.254 1.00 74.11 H new ATOM 0 HD2 PRO A 35 6.263 -5.298 -12.591 1.00 13.01 H new ATOM 0 HD3 PRO A 35 7.342 -3.925 -12.730 1.00 13.01 H new ATOM 510 N ALA A 36 3.454 -2.052 -9.502 1.00 44.44 N ATOM 511 CA ALA A 36 2.250 -2.236 -8.759 1.00 72.13 C ATOM 512 C ALA A 36 1.614 -0.912 -8.519 1.00 31.22 C ATOM 513 O ALA A 36 2.282 0.116 -8.542 1.00 51.12 O ATOM 514 CB ALA A 36 2.534 -2.916 -7.435 1.00 24.43 C ATOM 0 H ALA A 36 3.938 -1.177 -9.303 1.00 44.44 H new ATOM 0 HA ALA A 36 1.576 -2.872 -9.333 1.00 72.13 H new ATOM 0 HB1 ALA A 36 1.602 -3.046 -6.885 1.00 24.43 H new ATOM 0 HB2 ALA A 36 2.987 -3.891 -7.616 1.00 24.43 H new ATOM 0 HB3 ALA A 36 3.218 -2.301 -6.849 1.00 24.43 H new ATOM 520 N VAL A 37 0.350 -0.919 -8.299 1.00 35.11 N ATOM 521 CA VAL A 37 -0.351 0.295 -8.062 1.00 32.22 C ATOM 522 C VAL A 37 -1.118 0.250 -6.749 1.00 20.55 C ATOM 523 O VAL A 37 -1.909 -0.674 -6.481 1.00 53.13 O ATOM 524 CB VAL A 37 -1.263 0.685 -9.262 1.00 73.35 C ATOM 525 CG1 VAL A 37 -2.228 -0.432 -9.589 1.00 54.43 C ATOM 526 CG2 VAL A 37 -2.015 1.981 -8.989 1.00 50.22 C ATOM 0 H VAL A 37 -0.228 -1.759 -8.278 1.00 35.11 H new ATOM 0 HA VAL A 37 0.394 1.085 -7.969 1.00 32.22 H new ATOM 0 HB VAL A 37 -0.619 0.848 -10.126 1.00 73.35 H new ATOM 0 HG11 VAL A 37 -2.855 -0.137 -10.430 1.00 54.43 H new ATOM 0 HG12 VAL A 37 -1.669 -1.331 -9.850 1.00 54.43 H new ATOM 0 HG13 VAL A 37 -2.857 -0.635 -8.722 1.00 54.43 H new ATOM 0 HG21 VAL A 37 -2.642 2.225 -9.846 1.00 50.22 H new ATOM 0 HG22 VAL A 37 -2.640 1.859 -8.104 1.00 50.22 H new ATOM 0 HG23 VAL A 37 -1.301 2.787 -8.821 1.00 50.22 H new ATOM 536 N LEU A 38 -0.856 1.224 -5.934 1.00 61.03 N ATOM 537 CA LEU A 38 -1.484 1.364 -4.674 1.00 21.25 C ATOM 538 C LEU A 38 -2.736 2.182 -4.819 1.00 35.54 C ATOM 539 O LEU A 38 -2.680 3.352 -5.149 1.00 11.32 O ATOM 540 CB LEU A 38 -0.530 2.027 -3.678 1.00 22.43 C ATOM 541 CG LEU A 38 -1.117 2.396 -2.311 1.00 31.33 C ATOM 542 CD1 LEU A 38 -1.815 1.214 -1.661 1.00 10.33 C ATOM 543 CD2 LEU A 38 -0.015 2.896 -1.414 1.00 24.50 C ATOM 0 H LEU A 38 -0.180 1.959 -6.140 1.00 61.03 H new ATOM 0 HA LEU A 38 -1.747 0.376 -4.296 1.00 21.25 H new ATOM 0 HB2 LEU A 38 0.315 1.357 -3.517 1.00 22.43 H new ATOM 0 HB3 LEU A 38 -0.135 2.934 -4.136 1.00 22.43 H new ATOM 0 HG LEU A 38 -1.862 3.177 -2.461 1.00 31.33 H new ATOM 0 HD11 LEU A 38 -2.218 1.516 -0.694 1.00 10.33 H new ATOM 0 HD12 LEU A 38 -2.628 0.874 -2.302 1.00 10.33 H new ATOM 0 HD13 LEU A 38 -1.101 0.403 -1.519 1.00 10.33 H new ATOM 0 HD21 LEU A 38 -0.429 3.159 -0.441 1.00 24.50 H new ATOM 0 HD22 LEU A 38 0.735 2.115 -1.290 1.00 24.50 H new ATOM 0 HD23 LEU A 38 0.447 3.776 -1.862 1.00 24.50 H new ATOM 555 N HIS A 39 -3.847 1.565 -4.603 1.00 71.44 N ATOM 556 CA HIS A 39 -5.110 2.265 -4.661 1.00 11.54 C ATOM 557 C HIS A 39 -5.377 2.906 -3.303 1.00 12.13 C ATOM 558 O HIS A 39 -5.119 2.281 -2.275 1.00 52.44 O ATOM 559 CB HIS A 39 -6.274 1.289 -5.016 1.00 61.43 C ATOM 560 CG HIS A 39 -6.459 0.115 -4.065 1.00 10.23 C ATOM 561 ND1 HIS A 39 -5.967 -1.142 -4.326 1.00 4.15 N ATOM 562 CD2 HIS A 39 -7.082 0.021 -2.857 1.00 44.12 C ATOM 563 CE1 HIS A 39 -6.267 -1.951 -3.326 1.00 54.25 C ATOM 564 NE2 HIS A 39 -6.940 -1.272 -2.428 1.00 64.21 N ATOM 0 H HIS A 39 -3.919 0.572 -4.382 1.00 71.44 H new ATOM 0 HA HIS A 39 -5.058 3.028 -5.438 1.00 11.54 H new ATOM 0 HB2 HIS A 39 -7.204 1.857 -5.049 1.00 61.43 H new ATOM 0 HB3 HIS A 39 -6.104 0.898 -6.019 1.00 61.43 H new ATOM 0 HD2 HIS A 39 -7.592 0.817 -2.335 1.00 44.12 H new ATOM 0 HE1 HIS A 39 -6.003 -2.996 -3.259 1.00 54.25 H new ATOM 0 HE2 HIS A 39 -7.300 -1.647 -1.550 1.00 64.21 H new ATOM 573 N GLY A 40 -5.825 4.130 -3.278 1.00 63.24 N ATOM 574 CA GLY A 40 -6.206 4.707 -2.016 1.00 3.21 C ATOM 575 C GLY A 40 -5.227 5.717 -1.528 1.00 32.22 C ATOM 576 O GLY A 40 -5.567 6.578 -0.759 1.00 62.32 O ATOM 0 H GLY A 40 -5.934 4.735 -4.092 1.00 63.24 H new ATOM 0 HA2 GLY A 40 -7.185 5.175 -2.116 1.00 3.21 H new ATOM 0 HA3 GLY A 40 -6.305 3.915 -1.274 1.00 3.21 H new ATOM 580 N TYR A 41 -4.022 5.629 -1.973 1.00 0.33 N ATOM 581 CA TYR A 41 -3.056 6.578 -1.571 1.00 33.21 C ATOM 582 C TYR A 41 -2.839 7.572 -2.612 1.00 60.11 C ATOM 583 O TYR A 41 -2.892 7.264 -3.799 1.00 41.44 O ATOM 584 CB TYR A 41 -1.771 5.951 -1.081 1.00 14.45 C ATOM 585 CG TYR A 41 -1.830 5.629 0.376 1.00 53.02 C ATOM 586 CD1 TYR A 41 -2.489 4.506 0.863 1.00 10.14 C ATOM 587 CD2 TYR A 41 -1.248 6.491 1.279 1.00 43.44 C ATOM 588 CE1 TYR A 41 -2.560 4.267 2.221 1.00 43.11 C ATOM 589 CE2 TYR A 41 -1.307 6.255 2.626 1.00 63.13 C ATOM 590 CZ TYR A 41 -1.964 5.150 3.094 1.00 21.12 C ATOM 591 OH TYR A 41 -2.035 4.930 4.450 1.00 31.42 O ATOM 0 H TYR A 41 -3.687 4.910 -2.614 1.00 0.33 H new ATOM 0 HA TYR A 41 -3.461 7.097 -0.703 1.00 33.21 H new ATOM 0 HB2 TYR A 41 -1.572 5.041 -1.646 1.00 14.45 H new ATOM 0 HB3 TYR A 41 -0.940 6.631 -1.269 1.00 14.45 H new ATOM 0 HD1 TYR A 41 -2.949 3.814 0.173 1.00 10.14 H new ATOM 0 HD2 TYR A 41 -0.735 7.370 0.917 1.00 43.44 H new ATOM 0 HE1 TYR A 41 -3.078 3.396 2.595 1.00 43.11 H new ATOM 0 HE2 TYR A 41 -0.837 6.939 3.317 1.00 63.13 H new ATOM 0 HH TYR A 41 -1.562 5.646 4.923 1.00 31.42 H new ATOM 601 N HIS A 42 -2.629 8.766 -2.194 1.00 12.22 N ATOM 602 CA HIS A 42 -2.509 9.822 -3.105 1.00 1.01 C ATOM 603 C HIS A 42 -1.088 10.338 -3.086 1.00 14.21 C ATOM 604 O HIS A 42 -0.501 10.528 -2.026 1.00 41.20 O ATOM 605 CB HIS A 42 -3.487 10.920 -2.715 1.00 1.31 C ATOM 606 CG HIS A 42 -3.798 11.895 -3.795 1.00 14.22 C ATOM 607 ND1 HIS A 42 -5.077 12.119 -4.225 1.00 75.21 N ATOM 608 CD2 HIS A 42 -3.009 12.722 -4.514 1.00 71.43 C ATOM 609 CE1 HIS A 42 -5.078 13.031 -5.156 1.00 51.02 C ATOM 610 NE2 HIS A 42 -3.837 13.423 -5.358 1.00 73.33 N ATOM 0 H HIS A 42 -2.537 9.029 -1.213 1.00 12.22 H new ATOM 0 HA HIS A 42 -2.741 9.483 -4.115 1.00 1.01 H new ATOM 0 HB2 HIS A 42 -4.417 10.457 -2.384 1.00 1.31 H new ATOM 0 HB3 HIS A 42 -3.080 11.463 -1.862 1.00 1.31 H new ATOM 0 HD1 HIS A 42 -5.906 11.643 -3.870 1.00 75.21 H new ATOM 0 HD2 HIS A 42 -1.936 12.815 -4.440 1.00 71.43 H new ATOM 0 HE1 HIS A 42 -5.950 13.403 -5.674 1.00 51.02 H new ATOM 0 HE2 HIS A 42 -3.539 14.130 -6.030 1.00 73.33 H new ATOM 619 N ARG A 43 -0.556 10.556 -4.242 1.00 43.04 N ATOM 620 CA ARG A 43 0.768 11.087 -4.407 1.00 31.12 C ATOM 621 C ARG A 43 0.719 12.605 -4.391 1.00 54.43 C ATOM 622 O ARG A 43 0.149 13.231 -5.278 1.00 2.12 O ATOM 623 CB ARG A 43 1.361 10.587 -5.736 1.00 43.14 C ATOM 624 CG ARG A 43 2.704 11.198 -6.124 1.00 33.41 C ATOM 625 CD ARG A 43 3.818 10.864 -5.150 1.00 13.03 C ATOM 626 NE ARG A 43 5.067 11.524 -5.547 1.00 24.43 N ATOM 627 CZ ARG A 43 6.271 11.348 -4.987 1.00 51.13 C ATOM 628 NH1 ARG A 43 6.446 10.464 -4.003 1.00 71.01 N ATOM 629 NH2 ARG A 43 7.299 12.044 -5.424 1.00 12.15 N ATOM 0 H ARG A 43 -1.036 10.368 -5.122 1.00 43.04 H new ATOM 0 HA ARG A 43 1.400 10.748 -3.586 1.00 31.12 H new ATOM 0 HB2 ARG A 43 1.476 9.505 -5.678 1.00 43.14 H new ATOM 0 HB3 ARG A 43 0.645 10.789 -6.533 1.00 43.14 H new ATOM 0 HG2 ARG A 43 2.982 10.847 -7.118 1.00 33.41 H new ATOM 0 HG3 ARG A 43 2.598 12.281 -6.187 1.00 33.41 H new ATOM 0 HD2 ARG A 43 3.537 11.180 -4.145 1.00 13.03 H new ATOM 0 HD3 ARG A 43 3.966 9.785 -5.115 1.00 13.03 H new ATOM 0 HE ARG A 43 5.013 12.181 -6.325 1.00 24.43 H new ATOM 0 HH11 ARG A 43 5.657 9.911 -3.668 1.00 71.01 H new ATOM 0 HH12 ARG A 43 7.369 10.341 -3.586 1.00 71.01 H new ATOM 0 HH21 ARG A 43 7.176 12.712 -6.185 1.00 12.15 H new ATOM 0 HH22 ARG A 43 8.219 11.915 -5.002 1.00 12.15 H new ATOM 643 N TYR A 44 1.280 13.172 -3.360 1.00 21.54 N ATOM 644 CA TYR A 44 1.385 14.607 -3.215 1.00 64.51 C ATOM 645 C TYR A 44 2.810 14.963 -3.479 1.00 61.11 C ATOM 646 O TYR A 44 3.680 14.391 -2.874 1.00 41.44 O ATOM 647 CB TYR A 44 1.023 15.043 -1.782 1.00 33.23 C ATOM 648 CG TYR A 44 -0.364 14.640 -1.341 1.00 70.41 C ATOM 649 CD1 TYR A 44 -0.586 13.423 -0.723 1.00 44.24 C ATOM 650 CD2 TYR A 44 -1.449 15.473 -1.547 1.00 2.42 C ATOM 651 CE1 TYR A 44 -1.848 13.043 -0.322 1.00 13.24 C ATOM 652 CE2 TYR A 44 -2.724 15.098 -1.146 1.00 3.53 C ATOM 653 CZ TYR A 44 -2.913 13.879 -0.533 1.00 44.41 C ATOM 654 OH TYR A 44 -4.172 13.494 -0.118 1.00 70.34 O ATOM 0 H TYR A 44 1.684 12.649 -2.583 1.00 21.54 H new ATOM 0 HA TYR A 44 0.702 15.104 -3.904 1.00 64.51 H new ATOM 0 HB2 TYR A 44 1.750 14.616 -1.091 1.00 33.23 H new ATOM 0 HB3 TYR A 44 1.114 16.127 -1.711 1.00 33.23 H new ATOM 0 HD1 TYR A 44 0.247 12.757 -0.551 1.00 44.24 H new ATOM 0 HD2 TYR A 44 -1.302 16.429 -2.027 1.00 2.42 H new ATOM 0 HE1 TYR A 44 -1.998 12.087 0.158 1.00 13.24 H new ATOM 0 HE2 TYR A 44 -3.562 15.758 -1.314 1.00 3.53 H new ATOM 0 HH TYR A 44 -4.818 14.197 -0.339 1.00 70.34 H new ATOM 664 N LYS A 45 3.047 15.877 -4.379 1.00 14.44 N ATOM 665 CA LYS A 45 4.400 16.289 -4.732 1.00 31.23 C ATOM 666 C LYS A 45 4.883 17.376 -3.750 1.00 73.15 C ATOM 667 O LYS A 45 6.069 17.690 -3.666 1.00 44.14 O ATOM 668 CB LYS A 45 4.382 16.741 -6.234 1.00 15.42 C ATOM 669 CG LYS A 45 5.699 17.210 -6.873 1.00 50.44 C ATOM 670 CD LYS A 45 6.072 18.636 -6.490 1.00 15.21 C ATOM 671 CE LYS A 45 7.361 19.079 -7.167 1.00 20.20 C ATOM 672 NZ LYS A 45 7.250 19.058 -8.642 1.00 65.52 N ATOM 0 H LYS A 45 2.315 16.365 -4.895 1.00 14.44 H new ATOM 0 HA LYS A 45 5.119 15.474 -4.642 1.00 31.23 H new ATOM 0 HB2 LYS A 45 4.004 15.908 -6.827 1.00 15.42 H new ATOM 0 HB3 LYS A 45 3.660 17.552 -6.328 1.00 15.42 H new ATOM 0 HG2 LYS A 45 6.502 16.537 -6.572 1.00 50.44 H new ATOM 0 HG3 LYS A 45 5.615 17.141 -7.958 1.00 50.44 H new ATOM 0 HD2 LYS A 45 5.263 19.312 -6.769 1.00 15.21 H new ATOM 0 HD3 LYS A 45 6.186 18.705 -5.408 1.00 15.21 H new ATOM 0 HE2 LYS A 45 7.616 20.086 -6.837 1.00 20.20 H new ATOM 0 HE3 LYS A 45 8.176 18.426 -6.856 1.00 20.20 H new ATOM 0 HZ1 LYS A 45 8.037 19.596 -9.057 1.00 65.52 H new ATOM 0 HZ2 LYS A 45 7.287 18.075 -8.979 1.00 65.52 H new ATOM 0 HZ3 LYS A 45 6.347 19.488 -8.928 1.00 65.52 H new ATOM 686 N LEU A 46 3.937 17.882 -2.977 1.00 54.22 N ATOM 687 CA LEU A 46 4.131 18.948 -2.006 1.00 14.44 C ATOM 688 C LEU A 46 4.325 20.287 -2.648 1.00 12.45 C ATOM 689 O LEU A 46 3.353 20.893 -3.072 1.00 52.12 O ATOM 690 CB LEU A 46 5.163 18.669 -0.882 1.00 73.42 C ATOM 691 CG LEU A 46 4.874 17.487 0.076 1.00 23.23 C ATOM 692 CD1 LEU A 46 3.465 17.521 0.638 1.00 71.42 C ATOM 693 CD2 LEU A 46 5.187 16.162 -0.551 1.00 33.14 C ATOM 0 H LEU A 46 2.974 17.549 -3.009 1.00 54.22 H new ATOM 0 HA LEU A 46 3.181 18.974 -1.472 1.00 14.44 H new ATOM 0 HB2 LEU A 46 6.131 18.493 -1.350 1.00 73.42 H new ATOM 0 HB3 LEU A 46 5.259 19.573 -0.281 1.00 73.42 H new ATOM 0 HG LEU A 46 5.550 17.612 0.922 1.00 23.23 H new ATOM 0 HD11 LEU A 46 3.318 16.670 1.303 1.00 71.42 H new ATOM 0 HD12 LEU A 46 3.318 18.446 1.195 1.00 71.42 H new ATOM 0 HD13 LEU A 46 2.746 17.472 -0.180 1.00 71.42 H new ATOM 0 HD21 LEU A 46 4.969 15.363 0.158 1.00 33.14 H new ATOM 0 HD22 LEU A 46 4.578 16.030 -1.445 1.00 33.14 H new ATOM 0 HD23 LEU A 46 6.242 16.128 -0.822 1.00 33.14 H new ATOM 705 N LYS A 47 5.572 20.724 -2.762 1.00 40.12 N ATOM 706 CA LYS A 47 5.942 22.007 -3.359 1.00 33.12 C ATOM 707 C LYS A 47 7.400 22.289 -3.149 1.00 10.44 C ATOM 708 O LYS A 47 8.062 22.815 -4.018 1.00 2.15 O ATOM 709 CB LYS A 47 5.086 23.162 -2.847 1.00 65.23 C ATOM 710 CG LYS A 47 5.108 23.378 -1.368 1.00 62.01 C ATOM 711 CD LYS A 47 3.930 24.204 -0.979 1.00 71.21 C ATOM 712 CE LYS A 47 3.941 25.594 -1.603 1.00 24.32 C ATOM 713 NZ LYS A 47 2.747 26.376 -1.218 1.00 42.04 N ATOM 0 H LYS A 47 6.375 20.186 -2.436 1.00 40.12 H new ATOM 0 HA LYS A 47 5.750 21.925 -4.429 1.00 33.12 H new ATOM 0 HB2 LYS A 47 5.416 24.079 -3.335 1.00 65.23 H new ATOM 0 HB3 LYS A 47 4.055 22.991 -3.156 1.00 65.23 H new ATOM 0 HG2 LYS A 47 5.084 22.421 -0.848 1.00 62.01 H new ATOM 0 HG3 LYS A 47 6.031 23.878 -1.074 1.00 62.01 H new ATOM 0 HD2 LYS A 47 3.018 23.687 -1.275 1.00 71.21 H new ATOM 0 HD3 LYS A 47 3.904 24.300 0.106 1.00 71.21 H new ATOM 0 HE2 LYS A 47 4.840 26.126 -1.291 1.00 24.32 H new ATOM 0 HE3 LYS A 47 3.983 25.505 -2.689 1.00 24.32 H new ATOM 0 HZ1 LYS A 47 2.790 27.316 -1.661 1.00 42.04 H new ATOM 0 HZ2 LYS A 47 1.890 25.881 -1.537 1.00 42.04 H new ATOM 0 HZ3 LYS A 47 2.720 26.482 -0.184 1.00 42.04 H new ATOM 727 N GLY A 48 7.902 21.919 -1.991 1.00 50.11 N ATOM 728 CA GLY A 48 9.293 22.117 -1.716 1.00 64.23 C ATOM 729 C GLY A 48 9.931 20.923 -1.050 1.00 20.42 C ATOM 730 O GLY A 48 11.107 20.965 -0.697 1.00 21.21 O ATOM 0 H GLY A 48 7.368 21.485 -1.238 1.00 50.11 H new ATOM 0 HA2 GLY A 48 9.816 22.331 -2.648 1.00 64.23 H new ATOM 0 HA3 GLY A 48 9.412 22.991 -1.076 1.00 64.23 H new ATOM 734 N LEU A 49 9.179 19.839 -0.886 1.00 33.50 N ATOM 735 CA LEU A 49 9.748 18.678 -0.210 1.00 71.35 C ATOM 736 C LEU A 49 10.399 17.699 -1.205 1.00 63.52 C ATOM 737 O LEU A 49 9.814 17.379 -2.236 1.00 55.32 O ATOM 738 CB LEU A 49 8.738 17.970 0.728 1.00 53.44 C ATOM 739 CG LEU A 49 8.288 18.742 2.001 1.00 63.24 C ATOM 740 CD1 LEU A 49 7.468 19.985 1.687 1.00 1.33 C ATOM 741 CD2 LEU A 49 7.541 17.829 2.953 1.00 0.23 C ATOM 0 H LEU A 49 8.213 19.739 -1.197 1.00 33.50 H new ATOM 0 HA LEU A 49 10.540 19.058 0.435 1.00 71.35 H new ATOM 0 HB2 LEU A 49 7.848 17.730 0.146 1.00 53.44 H new ATOM 0 HB3 LEU A 49 9.177 17.024 1.044 1.00 53.44 H new ATOM 0 HG LEU A 49 9.200 19.088 2.488 1.00 63.24 H new ATOM 0 HD11 LEU A 49 7.185 20.479 2.617 1.00 1.33 H new ATOM 0 HD12 LEU A 49 8.061 20.668 1.079 1.00 1.33 H new ATOM 0 HD13 LEU A 49 6.570 19.700 1.140 1.00 1.33 H new ATOM 0 HD21 LEU A 49 7.237 18.393 3.835 1.00 0.23 H new ATOM 0 HD22 LEU A 49 6.657 17.429 2.456 1.00 0.23 H new ATOM 0 HD23 LEU A 49 8.191 17.007 3.254 1.00 0.23 H new ATOM 753 N PRO A 50 11.626 17.215 -0.894 1.00 2.21 N ATOM 754 CA PRO A 50 12.412 16.336 -1.796 1.00 25.50 C ATOM 755 C PRO A 50 11.903 14.876 -1.872 1.00 64.15 C ATOM 756 O PRO A 50 12.065 14.099 -0.927 1.00 62.00 O ATOM 757 CB PRO A 50 13.813 16.382 -1.185 1.00 12.22 C ATOM 758 CG PRO A 50 13.581 16.622 0.269 1.00 72.53 C ATOM 759 CD PRO A 50 12.354 17.491 0.365 1.00 42.43 C ATOM 0 HA PRO A 50 12.350 16.682 -2.828 1.00 25.50 H new ATOM 0 HB2 PRO A 50 14.349 15.448 -1.352 1.00 12.22 H new ATOM 0 HB3 PRO A 50 14.413 17.177 -1.627 1.00 12.22 H new ATOM 0 HG2 PRO A 50 13.433 15.681 0.799 1.00 72.53 H new ATOM 0 HG3 PRO A 50 14.441 17.113 0.724 1.00 72.53 H new ATOM 0 HD2 PRO A 50 11.753 17.239 1.238 1.00 42.43 H new ATOM 0 HD3 PRO A 50 12.616 18.545 0.452 1.00 42.43 H new ATOM 767 N TYR A 51 11.211 14.560 -2.983 1.00 40.32 N ATOM 768 CA TYR A 51 10.652 13.198 -3.353 1.00 54.30 C ATOM 769 C TYR A 51 9.394 12.577 -2.567 1.00 25.22 C ATOM 770 O TYR A 51 8.966 11.467 -2.929 1.00 72.20 O ATOM 771 CB TYR A 51 11.732 12.114 -3.705 1.00 60.43 C ATOM 772 CG TYR A 51 12.703 11.711 -2.611 1.00 52.43 C ATOM 773 CD1 TYR A 51 12.347 10.781 -1.642 1.00 64.02 C ATOM 774 CD2 TYR A 51 13.983 12.249 -2.561 1.00 22.10 C ATOM 775 CE1 TYR A 51 13.234 10.403 -0.655 1.00 61.42 C ATOM 776 CE2 TYR A 51 14.873 11.878 -1.578 1.00 61.04 C ATOM 777 CZ TYR A 51 14.496 10.956 -0.629 1.00 23.14 C ATOM 778 OH TYR A 51 15.388 10.582 0.350 1.00 0.30 O ATOM 0 H TYR A 51 11.004 15.261 -3.694 1.00 40.32 H new ATOM 0 HA TYR A 51 10.158 13.521 -4.269 1.00 54.30 H new ATOM 0 HB2 TYR A 51 11.211 11.217 -4.040 1.00 60.43 H new ATOM 0 HB3 TYR A 51 12.313 12.480 -4.552 1.00 60.43 H new ATOM 0 HD1 TYR A 51 11.359 10.346 -1.662 1.00 64.02 H new ATOM 0 HD2 TYR A 51 14.285 12.970 -3.306 1.00 22.10 H new ATOM 0 HE1 TYR A 51 12.942 9.679 0.091 1.00 61.42 H new ATOM 0 HE2 TYR A 51 15.863 12.309 -1.552 1.00 61.04 H new ATOM 0 HH TYR A 51 16.232 11.064 0.225 1.00 0.30 H new ATOM 788 N PRO A 52 8.742 13.242 -1.552 1.00 62.44 N ATOM 789 CA PRO A 52 7.558 12.714 -0.897 1.00 30.03 C ATOM 790 C PRO A 52 6.324 13.174 -1.679 1.00 23.31 C ATOM 791 O PRO A 52 6.464 14.000 -2.577 1.00 3.14 O ATOM 792 CB PRO A 52 7.598 13.401 0.496 1.00 21.14 C ATOM 793 CG PRO A 52 8.775 14.294 0.466 1.00 72.52 C ATOM 794 CD PRO A 52 9.035 14.537 -0.976 1.00 34.43 C ATOM 0 HA PRO A 52 7.523 11.626 -0.833 1.00 30.03 H new ATOM 0 HB2 PRO A 52 6.683 13.964 0.681 1.00 21.14 H new ATOM 0 HB3 PRO A 52 7.686 12.664 1.294 1.00 21.14 H new ATOM 0 HG2 PRO A 52 8.577 15.227 0.994 1.00 72.52 H new ATOM 0 HG3 PRO A 52 9.635 13.830 0.950 1.00 72.52 H new ATOM 0 HD2 PRO A 52 8.393 15.319 -1.381 1.00 34.43 H new ATOM 0 HD3 PRO A 52 10.065 14.843 -1.160 1.00 34.43 H new ATOM 802 N CYS A 53 5.126 12.655 -1.410 1.00 33.00 N ATOM 803 CA CYS A 53 4.810 11.606 -0.460 1.00 54.41 C ATOM 804 C CYS A 53 3.517 10.951 -0.881 1.00 62.52 C ATOM 805 O CYS A 53 2.947 11.305 -1.923 1.00 1.02 O ATOM 806 CB CYS A 53 4.599 12.196 0.930 1.00 72.21 C ATOM 807 SG CYS A 53 3.383 13.535 1.002 1.00 74.01 S ATOM 0 H CYS A 53 4.291 12.988 -1.892 1.00 33.00 H new ATOM 0 HA CYS A 53 5.632 10.891 -0.436 1.00 54.41 H new ATOM 0 HB2 CYS A 53 4.284 11.400 1.605 1.00 72.21 H new ATOM 0 HB3 CYS A 53 5.554 12.569 1.301 1.00 72.21 H new ATOM 0 HG CYS A 53 3.279 13.962 2.226 1.00 74.01 H new ATOM 813 N ILE A 54 3.051 10.024 -0.078 1.00 14.41 N ATOM 814 CA ILE A 54 1.725 9.503 -0.206 1.00 31.31 C ATOM 815 C ILE A 54 1.113 9.438 1.168 1.00 62.23 C ATOM 816 O ILE A 54 1.756 8.978 2.116 1.00 45.31 O ATOM 817 CB ILE A 54 1.610 8.115 -0.902 1.00 0.42 C ATOM 818 CG1 ILE A 54 2.380 7.010 -0.161 1.00 32.13 C ATOM 819 CG2 ILE A 54 2.037 8.220 -2.341 1.00 24.41 C ATOM 820 CD1 ILE A 54 2.099 5.606 -0.677 1.00 51.22 C ATOM 0 H ILE A 54 3.590 9.613 0.684 1.00 14.41 H new ATOM 0 HA ILE A 54 1.192 10.184 -0.869 1.00 31.31 H new ATOM 0 HB ILE A 54 0.562 7.819 -0.869 1.00 0.42 H new ATOM 0 HG12 ILE A 54 3.449 7.209 -0.243 1.00 32.13 H new ATOM 0 HG13 ILE A 54 2.128 7.054 0.899 1.00 32.13 H new ATOM 0 HG21 ILE A 54 1.953 7.243 -2.818 1.00 24.41 H new ATOM 0 HG22 ILE A 54 1.397 8.934 -2.859 1.00 24.41 H new ATOM 0 HG23 ILE A 54 3.072 8.559 -2.390 1.00 24.41 H new ATOM 0 HD11 ILE A 54 2.680 4.884 -0.103 1.00 51.22 H new ATOM 0 HD12 ILE A 54 1.037 5.385 -0.570 1.00 51.22 H new ATOM 0 HD13 ILE A 54 2.378 5.542 -1.729 1.00 51.22 H new ATOM 832 N VAL A 55 -0.072 9.957 1.285 1.00 61.24 N ATOM 833 CA VAL A 55 -0.841 9.946 2.521 1.00 44.03 C ATOM 834 C VAL A 55 -2.306 9.898 2.135 1.00 5.11 C ATOM 835 O VAL A 55 -2.609 9.780 0.927 1.00 21.42 O ATOM 836 CB VAL A 55 -0.567 11.194 3.477 1.00 30.51 C ATOM 837 CG1 VAL A 55 0.875 11.239 3.981 1.00 40.31 C ATOM 838 CG2 VAL A 55 -0.927 12.513 2.819 1.00 44.14 C ATOM 0 H VAL A 55 -0.555 10.415 0.512 1.00 61.24 H new ATOM 0 HA VAL A 55 -0.535 9.075 3.101 1.00 44.03 H new ATOM 0 HB VAL A 55 -1.221 11.051 4.337 1.00 30.51 H new ATOM 0 HG11 VAL A 55 1.008 12.107 4.627 1.00 40.31 H new ATOM 0 HG12 VAL A 55 1.092 10.331 4.544 1.00 40.31 H new ATOM 0 HG13 VAL A 55 1.555 11.311 3.132 1.00 40.31 H new ATOM 0 HG21 VAL A 55 -0.723 13.332 3.509 1.00 44.14 H new ATOM 0 HG22 VAL A 55 -0.332 12.643 1.915 1.00 44.14 H new ATOM 0 HG23 VAL A 55 -1.986 12.513 2.559 1.00 44.14 H new ATOM 848 N SER A 56 -3.192 9.968 3.129 1.00 23.11 N ATOM 849 CA SER A 56 -4.640 9.954 2.921 1.00 3.40 C ATOM 850 C SER A 56 -5.126 8.575 2.448 1.00 71.20 C ATOM 851 O SER A 56 -4.373 7.588 2.463 1.00 63.44 O ATOM 852 CB SER A 56 -5.065 11.067 1.943 1.00 11.42 C ATOM 853 OG SER A 56 -4.650 12.345 2.416 1.00 33.22 O ATOM 0 H SER A 56 -2.922 10.037 4.110 1.00 23.11 H new ATOM 0 HA SER A 56 -5.117 10.153 3.881 1.00 3.40 H new ATOM 0 HB2 SER A 56 -4.630 10.879 0.961 1.00 11.42 H new ATOM 0 HB3 SER A 56 -6.148 11.054 1.820 1.00 11.42 H new ATOM 0 HG SER A 56 -4.427 12.919 1.654 1.00 33.22 H new ATOM 859 N SER A 57 -6.383 8.498 2.100 1.00 13.32 N ATOM 860 CA SER A 57 -6.986 7.285 1.623 1.00 70.32 C ATOM 861 C SER A 57 -8.091 7.624 0.627 1.00 62.42 C ATOM 862 O SER A 57 -9.087 6.901 0.513 1.00 74.41 O ATOM 863 CB SER A 57 -7.541 6.491 2.802 1.00 31.55 C ATOM 864 OG SER A 57 -6.494 6.155 3.702 1.00 53.45 O ATOM 0 H SER A 57 -7.025 9.289 2.141 1.00 13.32 H new ATOM 0 HA SER A 57 -6.239 6.674 1.117 1.00 70.32 H new ATOM 0 HB2 SER A 57 -8.301 7.077 3.319 1.00 31.55 H new ATOM 0 HB3 SER A 57 -8.027 5.584 2.443 1.00 31.55 H new ATOM 0 HG SER A 57 -6.861 5.647 4.456 1.00 53.45 H new ATOM 870 N ASP A 58 -7.874 8.694 -0.135 1.00 41.31 N ATOM 871 CA ASP A 58 -8.853 9.166 -1.107 1.00 32.25 C ATOM 872 C ASP A 58 -8.892 8.275 -2.362 1.00 31.23 C ATOM 873 O ASP A 58 -8.362 7.162 -2.373 1.00 73.44 O ATOM 874 CB ASP A 58 -8.630 10.656 -1.482 1.00 23.33 C ATOM 875 CG ASP A 58 -7.313 10.948 -2.179 1.00 63.23 C ATOM 876 OD1 ASP A 58 -7.227 10.758 -3.414 1.00 74.04 O ATOM 877 OD2 ASP A 58 -6.379 11.407 -1.521 1.00 40.52 O ATOM 0 H ASP A 58 -7.022 9.253 -0.096 1.00 41.31 H new ATOM 0 HA ASP A 58 -9.828 9.095 -0.625 1.00 32.25 H new ATOM 0 HB2 ASP A 58 -9.446 10.979 -2.128 1.00 23.33 H new ATOM 0 HB3 ASP A 58 -8.685 11.257 -0.574 1.00 23.33 H new ATOM 882 N SER A 59 -9.535 8.761 -3.407 1.00 53.05 N ATOM 883 CA SER A 59 -9.743 7.990 -4.621 1.00 75.53 C ATOM 884 C SER A 59 -8.475 7.876 -5.480 1.00 2.32 C ATOM 885 O SER A 59 -8.449 7.103 -6.452 1.00 42.50 O ATOM 886 CB SER A 59 -10.867 8.624 -5.429 1.00 22.44 C ATOM 887 OG SER A 59 -12.043 8.748 -4.638 1.00 45.30 O ATOM 0 H SER A 59 -9.928 9.702 -3.439 1.00 53.05 H new ATOM 0 HA SER A 59 -10.011 6.976 -4.325 1.00 75.53 H new ATOM 0 HB2 SER A 59 -10.557 9.606 -5.786 1.00 22.44 H new ATOM 0 HB3 SER A 59 -11.077 8.017 -6.310 1.00 22.44 H new ATOM 0 HG SER A 59 -12.755 9.159 -5.172 1.00 45.30 H new ATOM 893 N GLY A 60 -7.447 8.629 -5.135 1.00 54.40 N ATOM 894 CA GLY A 60 -6.210 8.584 -5.877 1.00 14.14 C ATOM 895 C GLY A 60 -5.511 7.255 -5.768 1.00 44.21 C ATOM 896 O GLY A 60 -5.804 6.451 -4.867 1.00 64.50 O ATOM 0 H GLY A 60 -7.448 9.276 -4.347 1.00 54.40 H new ATOM 0 HA2 GLY A 60 -6.413 8.797 -6.926 1.00 14.14 H new ATOM 0 HA3 GLY A 60 -5.546 9.369 -5.515 1.00 14.14 H new ATOM 900 N LYS A 61 -4.628 6.986 -6.702 1.00 54.34 N ATOM 901 CA LYS A 61 -3.839 5.791 -6.657 1.00 21.10 C ATOM 902 C LYS A 61 -2.404 6.145 -7.016 1.00 52.22 C ATOM 903 O LYS A 61 -2.151 7.196 -7.625 1.00 31.43 O ATOM 904 CB LYS A 61 -4.376 4.699 -7.596 1.00 43.23 C ATOM 905 CG LYS A 61 -5.874 4.398 -7.444 1.00 32.43 C ATOM 906 CD LYS A 61 -6.280 3.114 -8.162 1.00 61.13 C ATOM 907 CE LYS A 61 -5.762 3.086 -9.571 1.00 62.43 C ATOM 908 NZ LYS A 61 -6.217 1.898 -10.330 1.00 25.31 N ATOM 0 H LYS A 61 -4.442 7.587 -7.505 1.00 54.34 H new ATOM 0 HA LYS A 61 -3.889 5.382 -5.648 1.00 21.10 H new ATOM 0 HB2 LYS A 61 -4.183 4.998 -8.626 1.00 43.23 H new ATOM 0 HB3 LYS A 61 -3.816 3.781 -7.420 1.00 43.23 H new ATOM 0 HG2 LYS A 61 -6.120 4.314 -6.386 1.00 32.43 H new ATOM 0 HG3 LYS A 61 -6.453 5.232 -7.840 1.00 32.43 H new ATOM 0 HD2 LYS A 61 -5.897 2.253 -7.615 1.00 61.13 H new ATOM 0 HD3 LYS A 61 -7.367 3.028 -8.171 1.00 61.13 H new ATOM 0 HE2 LYS A 61 -6.086 3.988 -10.090 1.00 62.43 H new ATOM 0 HE3 LYS A 61 -4.672 3.103 -9.552 1.00 62.43 H new ATOM 0 HZ1 LYS A 61 -5.829 1.933 -11.294 1.00 25.31 H new ATOM 0 HZ2 LYS A 61 -5.886 1.034 -9.854 1.00 25.31 H new ATOM 0 HZ3 LYS A 61 -7.256 1.892 -10.375 1.00 25.31 H new ATOM 922 N VAL A 62 -1.482 5.305 -6.634 1.00 61.22 N ATOM 923 CA VAL A 62 -0.066 5.550 -6.862 1.00 21.53 C ATOM 924 C VAL A 62 0.559 4.367 -7.583 1.00 4.23 C ATOM 925 O VAL A 62 0.417 3.233 -7.147 1.00 74.42 O ATOM 926 CB VAL A 62 0.662 5.762 -5.512 1.00 34.40 C ATOM 927 CG1 VAL A 62 2.136 6.082 -5.717 1.00 74.05 C ATOM 928 CG2 VAL A 62 -0.016 6.857 -4.726 1.00 1.20 C ATOM 0 H VAL A 62 -1.681 4.427 -6.154 1.00 61.22 H new ATOM 0 HA VAL A 62 0.036 6.446 -7.475 1.00 21.53 H new ATOM 0 HB VAL A 62 0.605 4.832 -4.947 1.00 34.40 H new ATOM 0 HG11 VAL A 62 2.615 6.225 -4.749 1.00 74.05 H new ATOM 0 HG12 VAL A 62 2.618 5.257 -6.242 1.00 74.05 H new ATOM 0 HG13 VAL A 62 2.232 6.994 -6.307 1.00 74.05 H new ATOM 0 HG21 VAL A 62 0.503 6.999 -3.778 1.00 1.20 H new ATOM 0 HG22 VAL A 62 0.011 7.785 -5.297 1.00 1.20 H new ATOM 0 HG23 VAL A 62 -1.052 6.579 -4.534 1.00 1.20 H new ATOM 938 N ASN A 63 1.240 4.628 -8.666 1.00 65.15 N ATOM 939 CA ASN A 63 1.874 3.576 -9.445 1.00 52.21 C ATOM 940 C ASN A 63 3.360 3.507 -9.105 1.00 4.31 C ATOM 941 O ASN A 63 4.085 4.492 -9.251 1.00 4.05 O ATOM 942 CB ASN A 63 1.682 3.834 -10.953 1.00 63.35 C ATOM 943 CG ASN A 63 2.340 2.775 -11.839 1.00 20.11 C ATOM 944 OD1 ASN A 63 1.726 1.760 -12.182 1.00 21.31 O ATOM 945 ND2 ASN A 63 3.570 3.016 -12.240 1.00 44.52 N ATOM 0 H ASN A 63 1.376 5.567 -9.039 1.00 65.15 H new ATOM 0 HA ASN A 63 1.408 2.622 -9.197 1.00 52.21 H new ATOM 0 HB2 ASN A 63 0.615 3.871 -11.175 1.00 63.35 H new ATOM 0 HB3 ASN A 63 2.093 4.812 -11.202 1.00 63.35 H new ATOM 0 HD21 ASN A 63 4.045 2.354 -12.853 1.00 44.52 H new ATOM 0 HD22 ASN A 63 4.048 3.865 -11.937 1.00 44.52 H new ATOM 952 N GLY A 64 3.804 2.366 -8.658 1.00 11.42 N ATOM 953 CA GLY A 64 5.184 2.191 -8.291 1.00 22.33 C ATOM 954 C GLY A 64 5.629 0.769 -8.496 1.00 55.11 C ATOM 955 O GLY A 64 5.157 0.098 -9.405 1.00 1.34 O ATOM 0 H GLY A 64 3.225 1.535 -8.538 1.00 11.42 H new ATOM 0 HA2 GLY A 64 5.808 2.859 -8.885 1.00 22.33 H new ATOM 0 HA3 GLY A 64 5.323 2.471 -7.247 1.00 22.33 H new ATOM 959 N LYS A 65 6.521 0.305 -7.658 1.00 23.11 N ATOM 960 CA LYS A 65 7.039 -1.052 -7.743 1.00 34.41 C ATOM 961 C LYS A 65 7.152 -1.618 -6.347 1.00 5.33 C ATOM 962 O LYS A 65 7.536 -0.898 -5.416 1.00 62.10 O ATOM 963 CB LYS A 65 8.439 -1.060 -8.421 1.00 72.43 C ATOM 964 CG LYS A 65 8.447 -0.621 -9.896 1.00 50.11 C ATOM 965 CD LYS A 65 9.877 -0.475 -10.461 1.00 10.43 C ATOM 966 CE LYS A 65 10.652 -1.784 -10.451 1.00 40.31 C ATOM 967 NZ LYS A 65 12.025 -1.645 -11.018 1.00 63.31 N ATOM 0 H LYS A 65 6.914 0.853 -6.893 1.00 23.11 H new ATOM 0 HA LYS A 65 6.360 -1.658 -8.343 1.00 34.41 H new ATOM 0 HB2 LYS A 65 9.103 -0.404 -7.858 1.00 72.43 H new ATOM 0 HB3 LYS A 65 8.853 -2.066 -8.354 1.00 72.43 H new ATOM 0 HG2 LYS A 65 7.897 -1.349 -10.492 1.00 50.11 H new ATOM 0 HG3 LYS A 65 7.923 0.330 -9.992 1.00 50.11 H new ATOM 0 HD2 LYS A 65 9.822 -0.098 -11.482 1.00 10.43 H new ATOM 0 HD3 LYS A 65 10.420 0.268 -9.876 1.00 10.43 H new ATOM 0 HE2 LYS A 65 10.722 -2.152 -9.427 1.00 40.31 H new ATOM 0 HE3 LYS A 65 10.102 -2.532 -11.022 1.00 40.31 H new ATOM 0 HZ1 LYS A 65 12.353 -2.569 -11.364 1.00 63.31 H new ATOM 0 HZ2 LYS A 65 12.008 -0.966 -11.806 1.00 63.31 H new ATOM 0 HZ3 LYS A 65 12.672 -1.302 -10.280 1.00 63.31 H new ATOM 981 N VAL A 66 6.809 -2.874 -6.180 1.00 54.25 N ATOM 982 CA VAL A 66 6.971 -3.495 -4.889 1.00 64.44 C ATOM 983 C VAL A 66 8.170 -4.407 -4.904 1.00 73.01 C ATOM 984 O VAL A 66 8.365 -5.186 -5.849 1.00 62.33 O ATOM 985 CB VAL A 66 5.714 -4.278 -4.357 1.00 71.23 C ATOM 986 CG1 VAL A 66 4.519 -3.376 -4.214 1.00 44.42 C ATOM 987 CG2 VAL A 66 5.365 -5.494 -5.201 1.00 0.20 C ATOM 0 H VAL A 66 6.423 -3.476 -6.908 1.00 54.25 H new ATOM 0 HA VAL A 66 7.113 -2.669 -4.192 1.00 64.44 H new ATOM 0 HB VAL A 66 5.993 -4.646 -3.370 1.00 71.23 H new ATOM 0 HG11 VAL A 66 3.671 -3.952 -3.844 1.00 44.42 H new ATOM 0 HG12 VAL A 66 4.749 -2.576 -3.510 1.00 44.42 H new ATOM 0 HG13 VAL A 66 4.270 -2.945 -5.184 1.00 44.42 H new ATOM 0 HG21 VAL A 66 4.490 -5.989 -4.781 1.00 0.20 H new ATOM 0 HG22 VAL A 66 5.149 -5.179 -6.222 1.00 0.20 H new ATOM 0 HG23 VAL A 66 6.206 -6.187 -5.206 1.00 0.20 H new ATOM 997 N ILE A 67 8.991 -4.281 -3.906 1.00 41.12 N ATOM 998 CA ILE A 67 10.138 -5.116 -3.773 1.00 54.22 C ATOM 999 C ILE A 67 9.723 -6.324 -2.969 1.00 3.54 C ATOM 1000 O ILE A 67 9.292 -6.190 -1.818 1.00 64.02 O ATOM 1001 CB ILE A 67 11.305 -4.391 -3.067 1.00 62.32 C ATOM 1002 CG1 ILE A 67 11.538 -3.033 -3.722 1.00 34.42 C ATOM 1003 CG2 ILE A 67 12.556 -5.242 -3.220 1.00 13.42 C ATOM 1004 CD1 ILE A 67 12.586 -2.209 -3.041 1.00 14.51 C ATOM 0 H ILE A 67 8.881 -3.593 -3.161 1.00 41.12 H new ATOM 0 HA ILE A 67 10.496 -5.398 -4.763 1.00 54.22 H new ATOM 0 HB ILE A 67 11.070 -4.243 -2.013 1.00 62.32 H new ATOM 0 HG12 ILE A 67 11.827 -3.186 -4.762 1.00 34.42 H new ATOM 0 HG13 ILE A 67 10.600 -2.478 -3.730 1.00 34.42 H new ATOM 0 HG21 ILE A 67 13.394 -4.748 -2.728 1.00 13.42 H new ATOM 0 HG22 ILE A 67 12.390 -6.218 -2.763 1.00 13.42 H new ATOM 0 HG23 ILE A 67 12.781 -5.371 -4.279 1.00 13.42 H new ATOM 0 HD11 ILE A 67 12.697 -1.258 -3.562 1.00 14.51 H new ATOM 0 HD12 ILE A 67 12.290 -2.025 -2.008 1.00 14.51 H new ATOM 0 HD13 ILE A 67 13.536 -2.744 -3.056 1.00 14.51 H new ATOM 1016 N THR A 68 9.804 -7.475 -3.563 1.00 45.31 N ATOM 1017 CA THR A 68 9.327 -8.665 -2.927 1.00 4.14 C ATOM 1018 C THR A 68 10.472 -9.520 -2.365 1.00 52.41 C ATOM 1019 O THR A 68 11.650 -9.341 -2.743 1.00 31.43 O ATOM 1020 CB THR A 68 8.478 -9.499 -3.914 1.00 44.44 C ATOM 1021 OG1 THR A 68 9.277 -9.893 -5.039 1.00 44.41 O ATOM 1022 CG2 THR A 68 7.289 -8.687 -4.424 1.00 4.04 C ATOM 0 H THR A 68 10.198 -7.616 -4.493 1.00 45.31 H new ATOM 0 HA THR A 68 8.706 -8.355 -2.087 1.00 4.14 H new ATOM 0 HB THR A 68 8.116 -10.380 -3.384 1.00 44.44 H new ATOM 0 HG1 THR A 68 9.587 -9.095 -5.515 1.00 44.41 H new ATOM 0 HG21 THR A 68 6.705 -9.293 -5.117 1.00 4.04 H new ATOM 0 HG22 THR A 68 6.662 -8.392 -3.583 1.00 4.04 H new ATOM 0 HG23 THR A 68 7.650 -7.796 -4.937 1.00 4.04 H new ATOM 1030 N GLY A 69 10.120 -10.428 -1.453 1.00 52.32 N ATOM 1031 CA GLY A 69 11.081 -11.343 -0.880 1.00 53.14 C ATOM 1032 C GLY A 69 12.091 -10.674 0.027 1.00 10.03 C ATOM 1033 O GLY A 69 13.242 -11.102 0.103 1.00 5.04 O ATOM 0 H GLY A 69 9.169 -10.541 -1.101 1.00 52.32 H new ATOM 0 HA2 GLY A 69 10.549 -12.108 -0.315 1.00 53.14 H new ATOM 0 HA3 GLY A 69 11.610 -11.852 -1.686 1.00 53.14 H new ATOM 1037 N VAL A 70 11.677 -9.650 0.720 1.00 53.34 N ATOM 1038 CA VAL A 70 12.580 -8.936 1.597 1.00 22.11 C ATOM 1039 C VAL A 70 12.598 -9.588 2.981 1.00 53.05 C ATOM 1040 O VAL A 70 11.568 -9.701 3.614 1.00 54.35 O ATOM 1041 CB VAL A 70 12.150 -7.455 1.725 1.00 22.43 C ATOM 1042 CG1 VAL A 70 13.098 -6.707 2.617 1.00 12.52 C ATOM 1043 CG2 VAL A 70 12.071 -6.791 0.357 1.00 44.10 C ATOM 0 H VAL A 70 10.724 -9.287 0.699 1.00 53.34 H new ATOM 0 HA VAL A 70 13.581 -8.978 1.168 1.00 22.11 H new ATOM 0 HB VAL A 70 11.157 -7.429 2.173 1.00 22.43 H new ATOM 0 HG11 VAL A 70 12.780 -5.667 2.695 1.00 12.52 H new ATOM 0 HG12 VAL A 70 13.101 -7.161 3.608 1.00 12.52 H new ATOM 0 HG13 VAL A 70 14.103 -6.748 2.196 1.00 12.52 H new ATOM 0 HG21 VAL A 70 11.767 -5.751 0.474 1.00 44.10 H new ATOM 0 HG22 VAL A 70 13.048 -6.831 -0.124 1.00 44.10 H new ATOM 0 HG23 VAL A 70 11.341 -7.315 -0.260 1.00 44.10 H new ATOM 1053 N SER A 71 13.751 -10.012 3.452 1.00 74.45 N ATOM 1054 CA SER A 71 13.817 -10.614 4.775 1.00 31.54 C ATOM 1055 C SER A 71 13.705 -9.508 5.818 1.00 14.44 C ATOM 1056 O SER A 71 13.949 -8.350 5.502 1.00 21.44 O ATOM 1057 CB SER A 71 15.110 -11.399 4.922 1.00 41.13 C ATOM 1058 OG SER A 71 15.275 -12.281 3.807 1.00 41.12 O ATOM 0 H SER A 71 14.640 -9.955 2.955 1.00 74.45 H new ATOM 0 HA SER A 71 12.994 -11.314 4.919 1.00 31.54 H new ATOM 0 HB2 SER A 71 15.956 -10.714 4.983 1.00 41.13 H new ATOM 0 HB3 SER A 71 15.095 -11.971 5.850 1.00 41.13 H new ATOM 0 HG SER A 71 15.704 -11.799 3.070 1.00 41.12 H new ATOM 1064 N ASP A 72 13.326 -9.846 7.032 1.00 3.44 N ATOM 1065 CA ASP A 72 13.089 -8.838 8.089 1.00 61.13 C ATOM 1066 C ASP A 72 14.318 -7.971 8.340 1.00 31.10 C ATOM 1067 O ASP A 72 14.228 -6.746 8.448 1.00 71.21 O ATOM 1068 CB ASP A 72 12.635 -9.503 9.385 1.00 21.13 C ATOM 1069 CG ASP A 72 12.362 -8.498 10.478 1.00 60.52 C ATOM 1070 OD1 ASP A 72 11.311 -7.849 10.438 1.00 52.14 O ATOM 1071 OD2 ASP A 72 13.190 -8.358 11.406 1.00 61.22 O ATOM 0 H ASP A 72 13.170 -10.809 7.330 1.00 3.44 H new ATOM 0 HA ASP A 72 12.293 -8.185 7.732 1.00 61.13 H new ATOM 0 HB2 ASP A 72 11.733 -10.085 9.196 1.00 21.13 H new ATOM 0 HB3 ASP A 72 13.401 -10.202 9.720 1.00 21.13 H new ATOM 1076 N ALA A 73 15.455 -8.609 8.367 1.00 44.41 N ATOM 1077 CA ALA A 73 16.727 -7.924 8.608 1.00 32.50 C ATOM 1078 C ALA A 73 17.105 -7.053 7.423 1.00 52.44 C ATOM 1079 O ALA A 73 17.702 -5.987 7.576 1.00 52.23 O ATOM 1080 CB ALA A 73 17.829 -8.928 8.877 1.00 35.53 C ATOM 0 H ALA A 73 15.543 -9.615 8.225 1.00 44.41 H new ATOM 0 HA ALA A 73 16.604 -7.288 9.485 1.00 32.50 H new ATOM 0 HB1 ALA A 73 18.766 -8.401 9.054 1.00 35.53 H new ATOM 0 HB2 ALA A 73 17.575 -9.521 9.756 1.00 35.53 H new ATOM 0 HB3 ALA A 73 17.940 -9.586 8.015 1.00 35.53 H new ATOM 1086 N GLU A 74 16.746 -7.508 6.250 1.00 64.51 N ATOM 1087 CA GLU A 74 17.053 -6.802 5.024 1.00 4.21 C ATOM 1088 C GLU A 74 16.104 -5.611 4.879 1.00 60.20 C ATOM 1089 O GLU A 74 16.476 -4.553 4.378 1.00 3.34 O ATOM 1090 CB GLU A 74 16.924 -7.761 3.843 1.00 1.22 C ATOM 1091 CG GLU A 74 17.779 -9.014 3.996 1.00 21.44 C ATOM 1092 CD GLU A 74 17.620 -10.001 2.860 1.00 74.41 C ATOM 1093 OE1 GLU A 74 16.458 -10.280 2.451 1.00 43.55 O ATOM 1094 OE2 GLU A 74 18.636 -10.558 2.411 1.00 25.02 O ATOM 0 H GLU A 74 16.232 -8.378 6.114 1.00 64.51 H new ATOM 0 HA GLU A 74 18.076 -6.426 5.048 1.00 4.21 H new ATOM 0 HB2 GLU A 74 15.880 -8.052 3.731 1.00 1.22 H new ATOM 0 HB3 GLU A 74 17.210 -7.242 2.928 1.00 1.22 H new ATOM 0 HG2 GLU A 74 18.827 -8.722 4.068 1.00 21.44 H new ATOM 0 HG3 GLU A 74 17.521 -9.507 4.933 1.00 21.44 H new ATOM 1101 N LEU A 75 14.887 -5.801 5.373 1.00 11.13 N ATOM 1102 CA LEU A 75 13.834 -4.790 5.370 1.00 63.32 C ATOM 1103 C LEU A 75 14.270 -3.595 6.177 1.00 31.32 C ATOM 1104 O LEU A 75 14.054 -2.443 5.783 1.00 32.55 O ATOM 1105 CB LEU A 75 12.517 -5.426 5.920 1.00 2.23 C ATOM 1106 CG LEU A 75 11.227 -4.564 6.034 1.00 65.11 C ATOM 1107 CD1 LEU A 75 11.289 -3.582 7.186 1.00 74.44 C ATOM 1108 CD2 LEU A 75 10.969 -3.829 4.740 1.00 75.45 C ATOM 0 H LEU A 75 14.597 -6.682 5.797 1.00 11.13 H new ATOM 0 HA LEU A 75 13.643 -4.441 4.355 1.00 63.32 H new ATOM 0 HB2 LEU A 75 12.281 -6.281 5.287 1.00 2.23 H new ATOM 0 HB3 LEU A 75 12.736 -5.816 6.914 1.00 2.23 H new ATOM 0 HG LEU A 75 10.403 -5.249 6.234 1.00 65.11 H new ATOM 0 HD11 LEU A 75 10.365 -3.005 7.222 1.00 74.44 H new ATOM 0 HD12 LEU A 75 11.414 -4.127 8.122 1.00 74.44 H new ATOM 0 HD13 LEU A 75 12.133 -2.907 7.044 1.00 74.44 H new ATOM 0 HD21 LEU A 75 10.063 -3.230 4.836 1.00 75.45 H new ATOM 0 HD22 LEU A 75 11.813 -3.176 4.518 1.00 75.45 H new ATOM 0 HD23 LEU A 75 10.844 -4.549 3.931 1.00 75.45 H new ATOM 1120 N ASN A 76 14.908 -3.883 7.285 1.00 55.53 N ATOM 1121 CA ASN A 76 15.417 -2.871 8.179 1.00 3.32 C ATOM 1122 C ASN A 76 16.355 -1.903 7.459 1.00 13.43 C ATOM 1123 O ASN A 76 16.390 -0.729 7.774 1.00 55.40 O ATOM 1124 CB ASN A 76 16.127 -3.533 9.366 1.00 53.14 C ATOM 1125 CG ASN A 76 16.756 -2.541 10.329 1.00 64.14 C ATOM 1126 OD1 ASN A 76 17.929 -2.167 10.184 1.00 12.11 O ATOM 1127 ND2 ASN A 76 16.002 -2.120 11.316 1.00 1.44 N ATOM 0 H ASN A 76 15.091 -4.837 7.595 1.00 55.53 H new ATOM 0 HA ASN A 76 14.573 -2.289 8.548 1.00 3.32 H new ATOM 0 HB2 ASN A 76 15.411 -4.149 9.909 1.00 53.14 H new ATOM 0 HB3 ASN A 76 16.901 -4.201 8.989 1.00 53.14 H new ATOM 0 HD21 ASN A 76 16.376 -1.461 11.999 1.00 1.44 H new ATOM 0 HD22 ASN A 76 15.041 -2.451 11.401 1.00 1.44 H new ATOM 1134 N ASN A 77 17.053 -2.389 6.438 1.00 31.30 N ATOM 1135 CA ASN A 77 18.050 -1.570 5.759 1.00 14.12 C ATOM 1136 C ASN A 77 17.381 -0.453 4.970 1.00 52.51 C ATOM 1137 O ASN A 77 17.925 0.630 4.852 1.00 71.15 O ATOM 1138 CB ASN A 77 18.959 -2.424 4.863 1.00 72.23 C ATOM 1139 CG ASN A 77 20.192 -1.678 4.351 1.00 72.33 C ATOM 1140 OD1 ASN A 77 20.674 -0.736 4.977 1.00 72.44 O ATOM 1141 ND2 ASN A 77 20.750 -2.138 3.260 1.00 12.32 N ATOM 0 H ASN A 77 16.949 -3.333 6.066 1.00 31.30 H new ATOM 0 HA ASN A 77 18.684 -1.112 6.518 1.00 14.12 H new ATOM 0 HB2 ASN A 77 19.282 -3.303 5.421 1.00 72.23 H new ATOM 0 HB3 ASN A 77 18.382 -2.782 4.011 1.00 72.23 H new ATOM 0 HD21 ASN A 77 21.608 -1.713 2.908 1.00 12.32 H new ATOM 0 HD22 ASN A 77 20.327 -2.921 2.762 1.00 12.32 H new ATOM 1148 N PHE A 78 16.171 -0.714 4.468 1.00 21.43 N ATOM 1149 CA PHE A 78 15.430 0.310 3.709 1.00 33.03 C ATOM 1150 C PHE A 78 14.948 1.367 4.674 1.00 25.23 C ATOM 1151 O PHE A 78 15.036 2.565 4.416 1.00 71.33 O ATOM 1152 CB PHE A 78 14.191 -0.282 3.008 1.00 71.22 C ATOM 1153 CG PHE A 78 14.450 -1.402 2.073 1.00 61.32 C ATOM 1154 CD1 PHE A 78 14.731 -1.170 0.750 1.00 34.45 C ATOM 1155 CD2 PHE A 78 14.408 -2.688 2.520 1.00 44.21 C ATOM 1156 CE1 PHE A 78 14.979 -2.221 -0.104 1.00 75.45 C ATOM 1157 CE2 PHE A 78 14.651 -3.731 1.676 1.00 63.34 C ATOM 1158 CZ PHE A 78 14.941 -3.491 0.357 1.00 14.35 C ATOM 0 H PHE A 78 15.687 -1.606 4.568 1.00 21.43 H new ATOM 0 HA PHE A 78 16.100 0.719 2.953 1.00 33.03 H new ATOM 0 HB2 PHE A 78 13.495 -0.626 3.773 1.00 71.22 H new ATOM 0 HB3 PHE A 78 13.692 0.516 2.459 1.00 71.22 H new ATOM 0 HD1 PHE A 78 14.758 -0.157 0.377 1.00 34.45 H new ATOM 0 HD2 PHE A 78 14.179 -2.884 3.557 1.00 44.21 H new ATOM 0 HE1 PHE A 78 15.204 -2.031 -1.143 1.00 75.45 H new ATOM 0 HE2 PHE A 78 14.615 -4.745 2.046 1.00 63.34 H new ATOM 0 HZ PHE A 78 15.139 -4.315 -0.312 1.00 14.35 H new ATOM 1168 N ASP A 79 14.469 0.886 5.805 1.00 3.43 N ATOM 1169 CA ASP A 79 13.885 1.712 6.855 1.00 0.05 C ATOM 1170 C ASP A 79 14.930 2.687 7.407 1.00 11.45 C ATOM 1171 O ASP A 79 14.622 3.827 7.744 1.00 42.24 O ATOM 1172 CB ASP A 79 13.337 0.783 7.963 1.00 71.44 C ATOM 1173 CG ASP A 79 12.570 1.486 9.070 1.00 1.32 C ATOM 1174 OD1 ASP A 79 11.334 1.632 8.950 1.00 22.15 O ATOM 1175 OD2 ASP A 79 13.170 1.844 10.088 1.00 51.43 O ATOM 0 H ASP A 79 14.473 -0.109 6.028 1.00 3.43 H new ATOM 0 HA ASP A 79 13.066 2.309 6.454 1.00 0.05 H new ATOM 0 HB2 ASP A 79 12.684 0.041 7.504 1.00 71.44 H new ATOM 0 HB3 ASP A 79 14.172 0.241 8.408 1.00 71.44 H new ATOM 1180 N VAL A 80 16.173 2.227 7.466 1.00 72.22 N ATOM 1181 CA VAL A 80 17.288 3.034 7.956 1.00 33.30 C ATOM 1182 C VAL A 80 17.749 4.113 6.933 1.00 71.04 C ATOM 1183 O VAL A 80 18.328 5.130 7.326 1.00 43.15 O ATOM 1184 CB VAL A 80 18.508 2.141 8.382 1.00 3.54 C ATOM 1185 CG1 VAL A 80 19.666 2.976 8.924 1.00 60.54 C ATOM 1186 CG2 VAL A 80 18.088 1.119 9.416 1.00 12.03 C ATOM 0 H VAL A 80 16.439 1.286 7.177 1.00 72.22 H new ATOM 0 HA VAL A 80 16.910 3.556 8.836 1.00 33.30 H new ATOM 0 HB VAL A 80 18.854 1.627 7.485 1.00 3.54 H new ATOM 0 HG11 VAL A 80 20.488 2.318 9.206 1.00 60.54 H new ATOM 0 HG12 VAL A 80 20.005 3.671 8.155 1.00 60.54 H new ATOM 0 HG13 VAL A 80 19.333 3.536 9.798 1.00 60.54 H new ATOM 0 HG21 VAL A 80 18.948 0.511 9.697 1.00 12.03 H new ATOM 0 HG22 VAL A 80 17.702 1.631 10.297 1.00 12.03 H new ATOM 0 HG23 VAL A 80 17.311 0.478 8.999 1.00 12.03 H new ATOM 1196 N ILE A 81 17.490 3.917 5.639 1.00 14.43 N ATOM 1197 CA ILE A 81 18.003 4.877 4.648 1.00 52.01 C ATOM 1198 C ILE A 81 17.196 6.190 4.629 1.00 42.24 C ATOM 1199 O ILE A 81 17.583 7.162 5.280 1.00 20.10 O ATOM 1200 CB ILE A 81 18.161 4.292 3.209 1.00 75.44 C ATOM 1201 CG1 ILE A 81 19.043 3.028 3.226 1.00 24.23 C ATOM 1202 CG2 ILE A 81 18.779 5.341 2.275 1.00 34.54 C ATOM 1203 CD1 ILE A 81 20.457 3.242 3.750 1.00 24.24 C ATOM 0 H ILE A 81 16.952 3.138 5.259 1.00 14.43 H new ATOM 0 HA ILE A 81 19.012 5.106 4.989 1.00 52.01 H new ATOM 0 HB ILE A 81 17.171 4.022 2.842 1.00 75.44 H new ATOM 0 HG12 ILE A 81 18.555 2.270 3.838 1.00 24.23 H new ATOM 0 HG13 ILE A 81 19.102 2.630 2.213 1.00 24.23 H new ATOM 0 HG21 ILE A 81 18.884 4.921 1.275 1.00 34.54 H new ATOM 0 HG22 ILE A 81 18.133 6.218 2.234 1.00 34.54 H new ATOM 0 HG23 ILE A 81 19.760 5.631 2.652 1.00 34.54 H new ATOM 0 HD11 ILE A 81 21.001 2.298 3.724 1.00 24.24 H new ATOM 0 HD12 ILE A 81 20.970 3.974 3.126 1.00 24.24 H new ATOM 0 HD13 ILE A 81 20.413 3.608 4.776 1.00 24.24 H new ATOM 1215 N GLU A 82 16.086 6.234 3.907 1.00 72.01 N ATOM 1216 CA GLU A 82 15.278 7.449 3.881 1.00 32.52 C ATOM 1217 C GLU A 82 14.000 7.315 4.687 1.00 70.52 C ATOM 1218 O GLU A 82 13.155 8.192 4.662 1.00 15.44 O ATOM 1219 CB GLU A 82 14.989 7.992 2.452 1.00 23.22 C ATOM 1220 CG GLU A 82 14.306 7.033 1.473 1.00 64.52 C ATOM 1221 CD GLU A 82 15.229 5.967 0.953 1.00 63.25 C ATOM 1222 OE1 GLU A 82 15.349 4.913 1.584 1.00 40.53 O ATOM 1223 OE2 GLU A 82 15.864 6.194 -0.118 1.00 54.32 O ATOM 0 H GLU A 82 15.728 5.463 3.343 1.00 72.01 H new ATOM 0 HA GLU A 82 15.901 8.200 4.366 1.00 32.52 H new ATOM 0 HB2 GLU A 82 14.366 8.881 2.546 1.00 23.22 H new ATOM 0 HB3 GLU A 82 15.934 8.310 2.012 1.00 23.22 H new ATOM 0 HG2 GLU A 82 13.457 6.561 1.968 1.00 64.52 H new ATOM 0 HG3 GLU A 82 13.908 7.603 0.633 1.00 64.52 H new ATOM 1230 N GLY A 83 13.893 6.260 5.456 1.00 14.51 N ATOM 1231 CA GLY A 83 12.702 6.050 6.257 1.00 31.22 C ATOM 1232 C GLY A 83 12.716 6.847 7.562 1.00 63.31 C ATOM 1233 O GLY A 83 12.166 6.410 8.563 1.00 44.25 O ATOM 0 H GLY A 83 14.606 5.537 5.548 1.00 14.51 H new ATOM 0 HA2 GLY A 83 11.824 6.331 5.675 1.00 31.22 H new ATOM 0 HA3 GLY A 83 12.606 4.989 6.486 1.00 31.22 H new ATOM 1237 N ASN A 84 13.340 8.016 7.538 1.00 72.35 N ATOM 1238 CA ASN A 84 13.449 8.864 8.725 1.00 74.44 C ATOM 1239 C ASN A 84 12.205 9.703 8.919 1.00 22.32 C ATOM 1240 O ASN A 84 11.731 9.888 10.048 1.00 45.30 O ATOM 1241 CB ASN A 84 14.692 9.771 8.666 1.00 71.02 C ATOM 1242 CG ASN A 84 15.999 9.003 8.641 1.00 43.32 C ATOM 1243 OD1 ASN A 84 16.105 7.901 9.194 1.00 53.35 O ATOM 1244 ND2 ASN A 84 17.003 9.565 8.007 1.00 24.21 N ATOM 0 H ASN A 84 13.783 8.404 6.705 1.00 72.35 H new ATOM 0 HA ASN A 84 13.555 8.196 9.580 1.00 74.44 H new ATOM 0 HB2 ASN A 84 14.632 10.400 7.778 1.00 71.02 H new ATOM 0 HB3 ASN A 84 14.687 10.437 9.529 1.00 71.02 H new ATOM 0 HD21 ASN A 84 17.905 9.092 7.959 1.00 24.21 H new ATOM 0 HD22 ASN A 84 16.880 10.475 7.562 1.00 24.21 H new ATOM 1251 N ASP A 85 11.664 10.215 7.820 1.00 62.12 N ATOM 1252 CA ASP A 85 10.484 11.065 7.876 1.00 14.23 C ATOM 1253 C ASP A 85 9.338 10.335 7.246 1.00 41.51 C ATOM 1254 O ASP A 85 8.291 10.905 6.930 1.00 35.23 O ATOM 1255 CB ASP A 85 10.729 12.382 7.148 1.00 31.12 C ATOM 1256 CG ASP A 85 11.844 13.223 7.725 1.00 31.01 C ATOM 1257 OD1 ASP A 85 13.023 13.008 7.352 1.00 20.50 O ATOM 1258 OD2 ASP A 85 11.559 14.137 8.519 1.00 12.04 O ATOM 0 H ASP A 85 12.025 10.055 6.879 1.00 62.12 H new ATOM 0 HA ASP A 85 10.255 11.296 8.916 1.00 14.23 H new ATOM 0 HB2 ASP A 85 10.957 12.168 6.104 1.00 31.12 H new ATOM 0 HB3 ASP A 85 9.808 12.965 7.160 1.00 31.12 H new ATOM 1263 N TYR A 86 9.525 9.077 7.081 1.00 5.33 N ATOM 1264 CA TYR A 86 8.511 8.235 6.566 1.00 54.21 C ATOM 1265 C TYR A 86 8.287 7.142 7.563 1.00 4.02 C ATOM 1266 O TYR A 86 9.166 6.858 8.380 1.00 44.14 O ATOM 1267 CB TYR A 86 8.906 7.600 5.229 1.00 1.32 C ATOM 1268 CG TYR A 86 9.173 8.535 4.069 1.00 63.55 C ATOM 1269 CD1 TYR A 86 10.418 9.108 3.893 1.00 55.54 C ATOM 1270 CD2 TYR A 86 8.190 8.808 3.128 1.00 42.03 C ATOM 1271 CE1 TYR A 86 10.687 9.926 2.821 1.00 15.53 C ATOM 1272 CE2 TYR A 86 8.446 9.634 2.051 1.00 63.22 C ATOM 1273 CZ TYR A 86 9.700 10.189 1.904 1.00 13.00 C ATOM 1274 OH TYR A 86 9.970 11.001 0.826 1.00 24.24 O ATOM 0 H TYR A 86 10.398 8.598 7.303 1.00 5.33 H new ATOM 0 HA TYR A 86 7.615 8.832 6.395 1.00 54.21 H new ATOM 0 HB2 TYR A 86 9.801 7.000 5.392 1.00 1.32 H new ATOM 0 HB3 TYR A 86 8.112 6.914 4.934 1.00 1.32 H new ATOM 0 HD1 TYR A 86 11.197 8.909 4.614 1.00 55.54 H new ATOM 0 HD2 TYR A 86 7.210 8.368 3.240 1.00 42.03 H new ATOM 0 HE1 TYR A 86 11.669 10.359 2.701 1.00 15.53 H new ATOM 0 HE2 TYR A 86 7.670 9.844 1.330 1.00 63.22 H new ATOM 0 HH TYR A 86 10.747 10.653 0.341 1.00 24.24 H new ATOM 1284 N GLU A 87 7.142 6.561 7.523 1.00 60.20 N ATOM 1285 CA GLU A 87 6.833 5.445 8.365 1.00 5.03 C ATOM 1286 C GLU A 87 6.333 4.298 7.494 1.00 21.33 C ATOM 1287 O GLU A 87 5.834 4.533 6.377 1.00 74.12 O ATOM 1288 CB GLU A 87 5.783 5.845 9.395 1.00 62.54 C ATOM 1289 CG GLU A 87 4.472 6.275 8.776 1.00 54.41 C ATOM 1290 CD GLU A 87 3.432 6.637 9.781 1.00 11.00 C ATOM 1291 OE1 GLU A 87 2.884 5.735 10.427 1.00 3.33 O ATOM 1292 OE2 GLU A 87 3.120 7.830 9.926 1.00 2.53 O ATOM 0 H GLU A 87 6.383 6.843 6.903 1.00 60.20 H new ATOM 0 HA GLU A 87 7.724 5.123 8.903 1.00 5.03 H new ATOM 0 HB2 GLU A 87 5.602 5.004 10.065 1.00 62.54 H new ATOM 0 HB3 GLU A 87 6.174 6.660 10.004 1.00 62.54 H new ATOM 0 HG2 GLU A 87 4.650 7.130 8.124 1.00 54.41 H new ATOM 0 HG3 GLU A 87 4.094 5.469 8.147 1.00 54.41 H new ATOM 1299 N ARG A 88 6.476 3.086 7.975 1.00 44.41 N ATOM 1300 CA ARG A 88 6.039 1.924 7.242 1.00 73.00 C ATOM 1301 C ARG A 88 4.662 1.484 7.634 1.00 72.23 C ATOM 1302 O ARG A 88 4.451 0.940 8.728 1.00 50.44 O ATOM 1303 CB ARG A 88 6.994 0.777 7.408 1.00 30.42 C ATOM 1304 CG ARG A 88 8.290 0.963 6.675 1.00 1.10 C ATOM 1305 CD ARG A 88 9.156 -0.235 6.861 1.00 52.42 C ATOM 1306 NE ARG A 88 9.602 -0.363 8.252 1.00 73.11 N ATOM 1307 CZ ARG A 88 9.303 -1.376 9.081 1.00 2.45 C ATOM 1308 NH1 ARG A 88 8.526 -2.396 8.673 1.00 2.35 N ATOM 1309 NH2 ARG A 88 9.796 -1.372 10.320 1.00 44.34 N ATOM 0 H ARG A 88 6.896 2.879 8.881 1.00 44.41 H new ATOM 0 HA ARG A 88 6.016 2.223 6.194 1.00 73.00 H new ATOM 0 HB2 ARG A 88 7.203 0.640 8.469 1.00 30.42 H new ATOM 0 HB3 ARG A 88 6.515 -0.137 7.056 1.00 30.42 H new ATOM 0 HG2 ARG A 88 8.098 1.122 5.614 1.00 1.10 H new ATOM 0 HG3 ARG A 88 8.801 1.852 7.043 1.00 1.10 H new ATOM 0 HD2 ARG A 88 8.608 -1.131 6.569 1.00 52.42 H new ATOM 0 HD3 ARG A 88 10.023 -0.164 6.204 1.00 52.42 H new ATOM 0 HE ARG A 88 10.191 0.383 8.622 1.00 73.11 H new ATOM 0 HH11 ARG A 88 8.156 -2.407 7.723 1.00 2.35 H new ATOM 0 HH12 ARG A 88 8.307 -3.159 9.314 1.00 2.35 H new ATOM 0 HH21 ARG A 88 10.393 -0.605 10.629 1.00 44.34 H new ATOM 0 HH22 ARG A 88 9.576 -2.136 10.959 1.00 44.34 H new ATOM 1323 N VAL A 89 3.727 1.711 6.761 1.00 45.33 N ATOM 1324 CA VAL A 89 2.365 1.276 6.972 1.00 33.11 C ATOM 1325 C VAL A 89 2.037 0.183 5.998 1.00 42.24 C ATOM 1326 O VAL A 89 2.698 0.058 4.960 1.00 50.14 O ATOM 1327 CB VAL A 89 1.336 2.419 6.828 1.00 63.24 C ATOM 1328 CG1 VAL A 89 1.533 3.462 7.914 1.00 22.14 C ATOM 1329 CG2 VAL A 89 1.436 3.063 5.460 1.00 5.33 C ATOM 0 H VAL A 89 3.879 2.202 5.880 1.00 45.33 H new ATOM 0 HA VAL A 89 2.298 0.915 7.998 1.00 33.11 H new ATOM 0 HB VAL A 89 0.340 1.989 6.937 1.00 63.24 H new ATOM 0 HG11 VAL A 89 0.797 4.257 7.793 1.00 22.14 H new ATOM 0 HG12 VAL A 89 1.407 2.997 8.892 1.00 22.14 H new ATOM 0 HG13 VAL A 89 2.536 3.881 7.838 1.00 22.14 H new ATOM 0 HG21 VAL A 89 0.702 3.865 5.381 1.00 5.33 H new ATOM 0 HG22 VAL A 89 2.437 3.472 5.323 1.00 5.33 H new ATOM 0 HG23 VAL A 89 1.241 2.316 4.691 1.00 5.33 H new ATOM 1339 N THR A 90 1.057 -0.605 6.312 1.00 13.41 N ATOM 1340 CA THR A 90 0.678 -1.671 5.453 1.00 31.12 C ATOM 1341 C THR A 90 -0.469 -1.204 4.550 1.00 33.12 C ATOM 1342 O THR A 90 -1.491 -0.694 5.025 1.00 72.32 O ATOM 1343 CB THR A 90 0.251 -2.897 6.270 1.00 54.23 C ATOM 1344 OG1 THR A 90 1.244 -3.147 7.280 1.00 65.21 O ATOM 1345 CG2 THR A 90 0.167 -4.120 5.380 1.00 25.11 C ATOM 0 H THR A 90 0.504 -0.525 7.165 1.00 13.41 H new ATOM 0 HA THR A 90 1.531 -1.958 4.838 1.00 31.12 H new ATOM 0 HB THR A 90 -0.724 -2.703 6.716 1.00 54.23 H new ATOM 0 HG1 THR A 90 0.981 -3.928 7.811 1.00 65.21 H new ATOM 0 HG21 THR A 90 -0.137 -4.982 5.974 1.00 25.11 H new ATOM 0 HG22 THR A 90 -0.565 -3.946 4.591 1.00 25.11 H new ATOM 0 HG23 THR A 90 1.143 -4.313 4.934 1.00 25.11 H new ATOM 1353 N VAL A 91 -0.276 -1.359 3.274 1.00 74.13 N ATOM 1354 CA VAL A 91 -1.213 -0.925 2.262 1.00 44.14 C ATOM 1355 C VAL A 91 -1.409 -2.073 1.288 1.00 52.22 C ATOM 1356 O VAL A 91 -0.564 -2.971 1.215 1.00 63.21 O ATOM 1357 CB VAL A 91 -0.653 0.331 1.514 1.00 23.21 C ATOM 1358 CG1 VAL A 91 -0.456 1.478 2.487 1.00 43.35 C ATOM 1359 CG2 VAL A 91 0.661 -0.016 0.812 1.00 63.21 C ATOM 0 H VAL A 91 0.559 -1.802 2.890 1.00 74.13 H new ATOM 0 HA VAL A 91 -2.164 -0.649 2.717 1.00 44.14 H new ATOM 0 HB VAL A 91 -1.375 0.643 0.759 1.00 23.21 H new ATOM 0 HG11 VAL A 91 -0.066 2.345 1.953 1.00 43.35 H new ATOM 0 HG12 VAL A 91 -1.411 1.734 2.946 1.00 43.35 H new ATOM 0 HG13 VAL A 91 0.251 1.181 3.262 1.00 43.35 H new ATOM 0 HG21 VAL A 91 1.041 0.865 0.295 1.00 63.21 H new ATOM 0 HG22 VAL A 91 1.392 -0.347 1.550 1.00 63.21 H new ATOM 0 HG23 VAL A 91 0.488 -0.814 0.090 1.00 63.21 H new ATOM 1369 N GLU A 92 -2.483 -2.091 0.568 1.00 42.43 N ATOM 1370 CA GLU A 92 -2.674 -3.177 -0.345 1.00 65.43 C ATOM 1371 C GLU A 92 -2.630 -2.633 -1.760 1.00 0.24 C ATOM 1372 O GLU A 92 -3.321 -1.657 -2.089 1.00 65.41 O ATOM 1373 CB GLU A 92 -3.977 -3.915 -0.064 1.00 30.05 C ATOM 1374 CG GLU A 92 -3.989 -5.335 -0.605 1.00 72.14 C ATOM 1375 CD GLU A 92 -5.301 -6.036 -0.374 1.00 1.34 C ATOM 1376 OE1 GLU A 92 -6.223 -5.861 -1.185 1.00 3.23 O ATOM 1377 OE2 GLU A 92 -5.427 -6.774 0.624 1.00 21.33 O ATOM 0 H GLU A 92 -3.224 -1.390 0.589 1.00 42.43 H new ATOM 0 HA GLU A 92 -1.875 -3.907 -0.217 1.00 65.43 H new ATOM 0 HB2 GLU A 92 -4.147 -3.942 1.012 1.00 30.05 H new ATOM 0 HB3 GLU A 92 -4.805 -3.358 -0.504 1.00 30.05 H new ATOM 0 HG2 GLU A 92 -3.777 -5.313 -1.674 1.00 72.14 H new ATOM 0 HG3 GLU A 92 -3.189 -5.906 -0.133 1.00 72.14 H new ATOM 1384 N VAL A 93 -1.839 -3.247 -2.594 1.00 50.33 N ATOM 1385 CA VAL A 93 -1.625 -2.749 -3.925 1.00 15.21 C ATOM 1386 C VAL A 93 -1.912 -3.840 -4.920 1.00 44.20 C ATOM 1387 O VAL A 93 -2.041 -4.999 -4.558 1.00 3.10 O ATOM 1388 CB VAL A 93 -0.138 -2.290 -4.134 1.00 22.41 C ATOM 1389 CG1 VAL A 93 0.282 -1.286 -3.093 1.00 12.22 C ATOM 1390 CG2 VAL A 93 0.823 -3.463 -4.147 1.00 61.04 C ATOM 0 H VAL A 93 -1.327 -4.101 -2.373 1.00 50.33 H new ATOM 0 HA VAL A 93 -2.289 -1.897 -4.069 1.00 15.21 H new ATOM 0 HB VAL A 93 -0.097 -1.811 -5.112 1.00 22.41 H new ATOM 0 HG11 VAL A 93 1.316 -0.991 -3.269 1.00 12.22 H new ATOM 0 HG12 VAL A 93 -0.361 -0.408 -3.154 1.00 12.22 H new ATOM 0 HG13 VAL A 93 0.195 -1.731 -2.102 1.00 12.22 H new ATOM 0 HG21 VAL A 93 1.840 -3.099 -4.294 1.00 61.04 H new ATOM 0 HG22 VAL A 93 0.762 -3.994 -3.197 1.00 61.04 H new ATOM 0 HG23 VAL A 93 0.559 -4.140 -4.959 1.00 61.04 H new ATOM 1400 N VAL A 94 -2.034 -3.480 -6.147 1.00 61.25 N ATOM 1401 CA VAL A 94 -2.201 -4.445 -7.183 1.00 74.33 C ATOM 1402 C VAL A 94 -0.882 -4.661 -7.850 1.00 21.01 C ATOM 1403 O VAL A 94 -0.282 -3.730 -8.333 1.00 64.21 O ATOM 1404 CB VAL A 94 -3.281 -4.031 -8.190 1.00 42.20 C ATOM 1405 CG1 VAL A 94 -3.322 -4.993 -9.376 1.00 13.33 C ATOM 1406 CG2 VAL A 94 -4.625 -4.023 -7.498 1.00 14.13 C ATOM 0 H VAL A 94 -2.021 -2.511 -6.465 1.00 61.25 H new ATOM 0 HA VAL A 94 -2.546 -5.381 -6.744 1.00 74.33 H new ATOM 0 HB VAL A 94 -3.045 -3.035 -8.566 1.00 42.20 H new ATOM 0 HG11 VAL A 94 -4.096 -4.676 -10.075 1.00 13.33 H new ATOM 0 HG12 VAL A 94 -2.356 -4.991 -9.880 1.00 13.33 H new ATOM 0 HG13 VAL A 94 -3.543 -5.999 -9.021 1.00 13.33 H new ATOM 0 HG21 VAL A 94 -5.398 -3.729 -8.208 1.00 14.13 H new ATOM 0 HG22 VAL A 94 -4.843 -5.020 -7.116 1.00 14.13 H new ATOM 0 HG23 VAL A 94 -4.604 -3.314 -6.671 1.00 14.13 H new ATOM 1416 N ARG A 95 -0.468 -5.909 -7.886 1.00 41.45 N ATOM 1417 CA ARG A 95 0.841 -6.358 -8.362 1.00 73.13 C ATOM 1418 C ARG A 95 1.015 -6.163 -9.900 1.00 71.32 C ATOM 1419 O ARG A 95 2.007 -6.590 -10.468 1.00 50.12 O ATOM 1420 CB ARG A 95 1.003 -7.833 -7.951 1.00 72.20 C ATOM 1421 CG ARG A 95 2.362 -8.446 -8.198 1.00 30.33 C ATOM 1422 CD ARG A 95 2.390 -9.887 -7.748 1.00 60.22 C ATOM 1423 NE ARG A 95 3.670 -10.523 -8.018 1.00 73.20 N ATOM 1424 CZ ARG A 95 3.842 -11.833 -8.203 1.00 73.21 C ATOM 1425 NH1 ARG A 95 2.808 -12.673 -8.151 1.00 52.50 N ATOM 1426 NH2 ARG A 95 5.044 -12.301 -8.442 1.00 54.43 N ATOM 0 H ARG A 95 -1.055 -6.681 -7.572 1.00 41.45 H new ATOM 0 HA ARG A 95 1.624 -5.750 -7.907 1.00 73.13 H new ATOM 0 HB2 ARG A 95 0.775 -7.920 -6.889 1.00 72.20 H new ATOM 0 HB3 ARG A 95 0.258 -8.422 -8.486 1.00 72.20 H new ATOM 0 HG2 ARG A 95 2.605 -8.387 -9.259 1.00 30.33 H new ATOM 0 HG3 ARG A 95 3.124 -7.879 -7.664 1.00 30.33 H new ATOM 0 HD2 ARG A 95 2.180 -9.936 -6.680 1.00 60.22 H new ATOM 0 HD3 ARG A 95 1.598 -10.439 -8.254 1.00 60.22 H new ATOM 0 HE ARG A 95 4.495 -9.925 -8.070 1.00 73.20 H new ATOM 0 HH11 ARG A 95 1.870 -12.317 -7.968 1.00 52.50 H new ATOM 0 HH12 ARG A 95 2.955 -13.672 -8.294 1.00 52.50 H new ATOM 0 HH21 ARG A 95 5.840 -11.664 -8.485 1.00 54.43 H new ATOM 0 HH22 ARG A 95 5.183 -13.301 -8.584 1.00 54.43 H new ATOM 1440 N MET A 96 0.008 -5.528 -10.527 1.00 51.23 N ATOM 1441 CA MET A 96 -0.041 -5.117 -11.966 1.00 12.13 C ATOM 1442 C MET A 96 0.281 -6.220 -12.966 1.00 32.21 C ATOM 1443 O MET A 96 -0.611 -6.687 -13.671 1.00 52.03 O ATOM 1444 CB MET A 96 0.757 -3.798 -12.201 1.00 34.51 C ATOM 1445 CG MET A 96 0.782 -3.208 -13.631 1.00 13.13 C ATOM 1446 SD MET A 96 1.763 -4.150 -14.831 1.00 64.14 S ATOM 1447 CE MET A 96 1.569 -3.122 -16.286 1.00 42.50 C ATOM 0 H MET A 96 -0.844 -5.268 -10.029 1.00 51.23 H new ATOM 0 HA MET A 96 -1.089 -4.905 -12.179 1.00 12.13 H new ATOM 0 HB2 MET A 96 0.350 -3.038 -11.534 1.00 34.51 H new ATOM 0 HB3 MET A 96 1.788 -3.973 -11.894 1.00 34.51 H new ATOM 0 HG2 MET A 96 -0.242 -3.138 -13.997 1.00 13.13 H new ATOM 0 HG3 MET A 96 1.173 -2.192 -13.582 1.00 13.13 H new ATOM 0 HE1 MET A 96 2.115 -3.564 -17.119 1.00 42.50 H new ATOM 0 HE2 MET A 96 0.512 -3.050 -16.542 1.00 42.50 H new ATOM 0 HE3 MET A 96 1.962 -2.126 -16.083 1.00 42.50 H new ATOM 1457 N ASP A 97 1.526 -6.645 -12.999 1.00 34.43 N ATOM 1458 CA ASP A 97 2.014 -7.656 -13.932 1.00 54.25 C ATOM 1459 C ASP A 97 1.215 -8.935 -13.803 1.00 24.42 C ATOM 1460 O ASP A 97 0.807 -9.530 -14.795 1.00 31.41 O ATOM 1461 CB ASP A 97 3.492 -7.952 -13.663 1.00 12.42 C ATOM 1462 CG ASP A 97 4.079 -8.932 -14.654 1.00 4.12 C ATOM 1463 OD1 ASP A 97 3.958 -10.160 -14.448 1.00 12.21 O ATOM 1464 OD2 ASP A 97 4.673 -8.481 -15.659 1.00 41.54 O ATOM 0 H ASP A 97 2.247 -6.295 -12.368 1.00 34.43 H new ATOM 0 HA ASP A 97 1.898 -7.267 -14.944 1.00 54.25 H new ATOM 0 HB2 ASP A 97 4.058 -7.021 -13.700 1.00 12.42 H new ATOM 0 HB3 ASP A 97 3.601 -8.351 -12.655 1.00 12.42 H new ATOM 1469 N ASN A 98 0.949 -9.322 -12.570 1.00 41.42 N ATOM 1470 CA ASN A 98 0.229 -10.566 -12.320 1.00 45.15 C ATOM 1471 C ASN A 98 -1.234 -10.205 -12.062 1.00 64.12 C ATOM 1472 O ASN A 98 -2.102 -11.057 -11.979 1.00 23.11 O ATOM 1473 CB ASN A 98 0.873 -11.303 -11.114 1.00 52.41 C ATOM 1474 CG ASN A 98 0.511 -12.807 -10.959 1.00 10.23 C ATOM 1475 OD1 ASN A 98 1.328 -13.588 -10.477 1.00 51.40 O ATOM 1476 ND2 ASN A 98 -0.671 -13.213 -11.334 1.00 32.24 N ATOM 0 H ASN A 98 1.215 -8.804 -11.732 1.00 41.42 H new ATOM 0 HA ASN A 98 0.283 -11.243 -13.173 1.00 45.15 H new ATOM 0 HB2 ASN A 98 1.956 -11.218 -11.199 1.00 52.41 H new ATOM 0 HB3 ASN A 98 0.583 -10.784 -10.200 1.00 52.41 H new ATOM 0 HD21 ASN A 98 -0.930 -14.194 -11.229 1.00 32.24 H new ATOM 0 HD22 ASN A 98 -1.336 -12.549 -11.732 1.00 32.24 H new ATOM 1483 N SER A 99 -1.472 -8.892 -11.937 1.00 73.13 N ATOM 1484 CA SER A 99 -2.802 -8.296 -11.756 1.00 33.22 C ATOM 1485 C SER A 99 -3.511 -8.730 -10.450 1.00 75.42 C ATOM 1486 O SER A 99 -4.692 -8.460 -10.259 1.00 43.34 O ATOM 1487 CB SER A 99 -3.662 -8.576 -12.987 1.00 54.21 C ATOM 1488 OG SER A 99 -3.015 -8.084 -14.168 1.00 24.10 O ATOM 0 H SER A 99 -0.725 -8.198 -11.960 1.00 73.13 H new ATOM 0 HA SER A 99 -2.659 -7.221 -11.650 1.00 33.22 H new ATOM 0 HB2 SER A 99 -3.838 -9.648 -13.080 1.00 54.21 H new ATOM 0 HB3 SER A 99 -4.637 -8.102 -12.874 1.00 54.21 H new ATOM 0 HG SER A 99 -2.219 -7.571 -13.915 1.00 24.10 H new ATOM 1494 N GLU A 100 -2.775 -9.351 -9.560 1.00 14.25 N ATOM 1495 CA GLU A 100 -3.311 -9.780 -8.286 1.00 32.02 C ATOM 1496 C GLU A 100 -3.117 -8.687 -7.268 1.00 40.15 C ATOM 1497 O GLU A 100 -2.303 -7.786 -7.467 1.00 52.21 O ATOM 1498 CB GLU A 100 -2.624 -11.045 -7.803 1.00 61.31 C ATOM 1499 CG GLU A 100 -1.157 -10.843 -7.503 1.00 0.43 C ATOM 1500 CD GLU A 100 -0.481 -12.095 -7.003 1.00 2.51 C ATOM 1501 OE1 GLU A 100 -0.504 -12.339 -5.787 1.00 34.43 O ATOM 1502 OE2 GLU A 100 0.085 -12.838 -7.812 1.00 22.20 O ATOM 0 H GLU A 100 -1.789 -9.574 -9.696 1.00 14.25 H new ATOM 0 HA GLU A 100 -4.373 -9.991 -8.413 1.00 32.02 H new ATOM 0 HB2 GLU A 100 -3.127 -11.404 -6.905 1.00 61.31 H new ATOM 0 HB3 GLU A 100 -2.731 -11.822 -8.560 1.00 61.31 H new ATOM 0 HG2 GLU A 100 -0.651 -10.499 -8.405 1.00 0.43 H new ATOM 0 HG3 GLU A 100 -1.049 -10.056 -6.757 1.00 0.43 H new ATOM 1509 N LYS A 101 -3.839 -8.757 -6.208 1.00 43.23 N ATOM 1510 CA LYS A 101 -3.729 -7.764 -5.168 1.00 63.43 C ATOM 1511 C LYS A 101 -2.803 -8.290 -4.090 1.00 5.05 C ATOM 1512 O LYS A 101 -2.969 -9.411 -3.611 1.00 41.41 O ATOM 1513 CB LYS A 101 -5.087 -7.432 -4.568 1.00 22.25 C ATOM 1514 CG LYS A 101 -6.139 -7.056 -5.582 1.00 5.13 C ATOM 1515 CD LYS A 101 -7.438 -6.709 -4.907 1.00 35.22 C ATOM 1516 CE LYS A 101 -8.476 -6.314 -5.922 1.00 33.34 C ATOM 1517 NZ LYS A 101 -9.754 -5.948 -5.295 1.00 14.32 N ATOM 0 H LYS A 101 -4.521 -9.493 -6.025 1.00 43.23 H new ATOM 0 HA LYS A 101 -3.328 -6.847 -5.599 1.00 63.43 H new ATOM 0 HB2 LYS A 101 -5.439 -8.292 -3.998 1.00 22.25 H new ATOM 0 HB3 LYS A 101 -4.968 -6.609 -3.863 1.00 22.25 H new ATOM 0 HG2 LYS A 101 -5.794 -6.207 -6.172 1.00 5.13 H new ATOM 0 HG3 LYS A 101 -6.294 -7.883 -6.274 1.00 5.13 H new ATOM 0 HD2 LYS A 101 -7.793 -7.563 -4.330 1.00 35.22 H new ATOM 0 HD3 LYS A 101 -7.281 -5.892 -4.203 1.00 35.22 H new ATOM 0 HE2 LYS A 101 -8.107 -5.473 -6.508 1.00 33.34 H new ATOM 0 HE3 LYS A 101 -8.637 -7.140 -6.615 1.00 33.34 H new ATOM 0 HZ1 LYS A 101 -10.439 -5.683 -6.032 1.00 14.32 H new ATOM 0 HZ2 LYS A 101 -10.121 -6.758 -4.756 1.00 14.32 H new ATOM 0 HZ3 LYS A 101 -9.608 -5.143 -4.653 1.00 14.32 H new ATOM 1531 N VAL A 102 -1.853 -7.510 -3.716 1.00 33.24 N ATOM 1532 CA VAL A 102 -0.878 -7.913 -2.755 1.00 31.32 C ATOM 1533 C VAL A 102 -0.762 -6.880 -1.625 1.00 73.44 C ATOM 1534 O VAL A 102 -0.657 -5.673 -1.868 1.00 2.33 O ATOM 1535 CB VAL A 102 0.507 -8.208 -3.435 1.00 74.01 C ATOM 1536 CG1 VAL A 102 1.049 -7.002 -4.188 1.00 34.41 C ATOM 1537 CG2 VAL A 102 1.525 -8.719 -2.432 1.00 53.01 C ATOM 0 H VAL A 102 -1.725 -6.562 -4.070 1.00 33.24 H new ATOM 0 HA VAL A 102 -1.212 -8.848 -2.304 1.00 31.32 H new ATOM 0 HB VAL A 102 0.329 -8.995 -4.168 1.00 74.01 H new ATOM 0 HG11 VAL A 102 2.008 -7.256 -4.640 1.00 34.41 H new ATOM 0 HG12 VAL A 102 0.345 -6.714 -4.968 1.00 34.41 H new ATOM 0 HG13 VAL A 102 1.183 -6.171 -3.496 1.00 34.41 H new ATOM 0 HG21 VAL A 102 2.470 -8.912 -2.939 1.00 53.01 H new ATOM 0 HG22 VAL A 102 1.677 -7.971 -1.654 1.00 53.01 H new ATOM 0 HG23 VAL A 102 1.160 -9.642 -1.981 1.00 53.01 H new ATOM 1547 N LYS A 103 -0.825 -7.360 -0.406 1.00 3.22 N ATOM 1548 CA LYS A 103 -0.729 -6.516 0.763 1.00 54.41 C ATOM 1549 C LYS A 103 0.748 -6.350 1.107 1.00 63.44 C ATOM 1550 O LYS A 103 1.449 -7.342 1.375 1.00 73.13 O ATOM 1551 CB LYS A 103 -1.480 -7.166 1.928 1.00 25.53 C ATOM 1552 CG LYS A 103 -1.520 -6.329 3.182 1.00 71.22 C ATOM 1553 CD LYS A 103 -2.456 -5.137 3.068 1.00 34.23 C ATOM 1554 CE LYS A 103 -3.916 -5.552 3.139 1.00 3.44 C ATOM 1555 NZ LYS A 103 -4.260 -6.164 4.446 1.00 73.01 N ATOM 0 H LYS A 103 -0.945 -8.351 -0.195 1.00 3.22 H new ATOM 0 HA LYS A 103 -1.175 -5.540 0.571 1.00 54.41 H new ATOM 0 HB2 LYS A 103 -2.502 -7.378 1.614 1.00 25.53 H new ATOM 0 HB3 LYS A 103 -1.012 -8.123 2.158 1.00 25.53 H new ATOM 0 HG2 LYS A 103 -1.834 -6.952 4.019 1.00 71.22 H new ATOM 0 HG3 LYS A 103 -0.514 -5.975 3.408 1.00 71.22 H new ATOM 0 HD2 LYS A 103 -2.241 -4.429 3.868 1.00 34.23 H new ATOM 0 HD3 LYS A 103 -2.271 -4.620 2.127 1.00 34.23 H new ATOM 0 HE2 LYS A 103 -4.549 -4.681 2.970 1.00 3.44 H new ATOM 0 HE3 LYS A 103 -4.130 -6.261 2.340 1.00 3.44 H new ATOM 0 HZ1 LYS A 103 -5.289 -6.122 4.589 1.00 73.01 H new ATOM 0 HZ2 LYS A 103 -3.949 -7.156 4.457 1.00 73.01 H new ATOM 0 HZ3 LYS A 103 -3.783 -5.643 5.209 1.00 73.01 H new ATOM 1569 N VAL A 104 1.212 -5.118 1.091 1.00 3.42 N ATOM 1570 CA VAL A 104 2.626 -4.807 1.254 1.00 1.33 C ATOM 1571 C VAL A 104 2.812 -3.631 2.224 1.00 34.12 C ATOM 1572 O VAL A 104 1.837 -3.021 2.662 1.00 54.14 O ATOM 1573 CB VAL A 104 3.251 -4.404 -0.126 1.00 33.34 C ATOM 1574 CG1 VAL A 104 3.111 -5.517 -1.151 1.00 61.21 C ATOM 1575 CG2 VAL A 104 2.607 -3.134 -0.659 1.00 21.03 C ATOM 0 H VAL A 104 0.620 -4.297 0.964 1.00 3.42 H new ATOM 0 HA VAL A 104 3.120 -5.694 1.649 1.00 1.33 H new ATOM 0 HB VAL A 104 4.313 -4.225 0.042 1.00 33.34 H new ATOM 0 HG11 VAL A 104 3.556 -5.201 -2.095 1.00 61.21 H new ATOM 0 HG12 VAL A 104 3.622 -6.410 -0.790 1.00 61.21 H new ATOM 0 HG13 VAL A 104 2.055 -5.740 -1.304 1.00 61.21 H new ATOM 0 HG21 VAL A 104 3.056 -2.873 -1.617 1.00 21.03 H new ATOM 0 HG22 VAL A 104 1.537 -3.296 -0.792 1.00 21.03 H new ATOM 0 HG23 VAL A 104 2.765 -2.321 0.049 1.00 21.03 H new ATOM 1585 N GLU A 105 4.045 -3.316 2.551 1.00 31.32 N ATOM 1586 CA GLU A 105 4.327 -2.146 3.359 1.00 52.31 C ATOM 1587 C GLU A 105 4.799 -1.043 2.451 1.00 31.44 C ATOM 1588 O GLU A 105 5.321 -1.312 1.370 1.00 34.51 O ATOM 1589 CB GLU A 105 5.388 -2.390 4.434 1.00 5.14 C ATOM 1590 CG GLU A 105 5.072 -3.490 5.414 1.00 13.05 C ATOM 1591 CD GLU A 105 5.999 -3.457 6.606 1.00 53.01 C ATOM 1592 OE1 GLU A 105 7.205 -3.684 6.456 1.00 51.05 O ATOM 1593 OE2 GLU A 105 5.507 -3.197 7.726 1.00 42.42 O ATOM 0 H GLU A 105 4.868 -3.850 2.272 1.00 31.32 H new ATOM 0 HA GLU A 105 3.406 -1.881 3.878 1.00 52.31 H new ATOM 0 HB2 GLU A 105 6.332 -2.624 3.942 1.00 5.14 H new ATOM 0 HB3 GLU A 105 5.539 -1.464 4.989 1.00 5.14 H new ATOM 0 HG2 GLU A 105 4.040 -3.391 5.752 1.00 13.05 H new ATOM 0 HG3 GLU A 105 5.153 -4.456 4.916 1.00 13.05 H new ATOM 1600 N THR A 106 4.607 0.170 2.848 1.00 20.43 N ATOM 1601 CA THR A 106 5.052 1.274 2.062 1.00 13.34 C ATOM 1602 C THR A 106 5.470 2.398 2.996 1.00 51.33 C ATOM 1603 O THR A 106 5.271 2.302 4.223 1.00 20.32 O ATOM 1604 CB THR A 106 3.933 1.767 1.105 1.00 20.24 C ATOM 1605 OG1 THR A 106 4.457 2.734 0.181 1.00 61.34 O ATOM 1606 CG2 THR A 106 2.804 2.402 1.902 1.00 2.24 C ATOM 0 H THR A 106 4.141 0.424 3.719 1.00 20.43 H new ATOM 0 HA THR A 106 5.897 0.958 1.450 1.00 13.34 H new ATOM 0 HB THR A 106 3.552 0.908 0.553 1.00 20.24 H new ATOM 0 HG1 THR A 106 5.129 2.309 -0.391 1.00 61.34 H new ATOM 0 HG21 THR A 106 2.025 2.744 1.220 1.00 2.24 H new ATOM 0 HG22 THR A 106 2.387 1.667 2.591 1.00 2.24 H new ATOM 0 HG23 THR A 106 3.190 3.251 2.467 1.00 2.24 H new ATOM 1614 N TYR A 107 6.029 3.437 2.435 1.00 12.53 N ATOM 1615 CA TYR A 107 6.461 4.567 3.193 1.00 24.43 C ATOM 1616 C TYR A 107 5.548 5.729 2.947 1.00 24.30 C ATOM 1617 O TYR A 107 5.426 6.217 1.823 1.00 41.43 O ATOM 1618 CB TYR A 107 7.896 4.942 2.829 1.00 2.33 C ATOM 1619 CG TYR A 107 8.905 3.908 3.233 1.00 53.13 C ATOM 1620 CD1 TYR A 107 9.481 3.941 4.492 1.00 74.55 C ATOM 1621 CD2 TYR A 107 9.273 2.893 2.368 1.00 43.31 C ATOM 1622 CE1 TYR A 107 10.394 2.994 4.875 1.00 72.01 C ATOM 1623 CE2 TYR A 107 10.182 1.938 2.748 1.00 23.13 C ATOM 1624 CZ TYR A 107 10.738 1.994 4.002 1.00 1.11 C ATOM 1625 OH TYR A 107 11.627 1.044 4.389 1.00 70.04 O ATOM 0 H TYR A 107 6.196 3.518 1.432 1.00 12.53 H new ATOM 0 HA TYR A 107 6.430 4.307 4.251 1.00 24.43 H new ATOM 0 HB2 TYR A 107 7.960 5.100 1.752 1.00 2.33 H new ATOM 0 HB3 TYR A 107 8.148 5.890 3.305 1.00 2.33 H new ATOM 0 HD1 TYR A 107 9.206 4.725 5.182 1.00 74.55 H new ATOM 0 HD2 TYR A 107 8.839 2.852 1.380 1.00 43.31 H new ATOM 0 HE1 TYR A 107 10.840 3.035 5.858 1.00 72.01 H new ATOM 0 HE2 TYR A 107 10.458 1.148 2.065 1.00 23.13 H new ATOM 0 HH TYR A 107 11.427 0.202 3.929 1.00 70.04 H new ATOM 1635 N VAL A 108 4.917 6.168 3.985 1.00 43.14 N ATOM 1636 CA VAL A 108 4.057 7.303 3.924 1.00 12.13 C ATOM 1637 C VAL A 108 4.707 8.433 4.676 1.00 2.34 C ATOM 1638 O VAL A 108 5.689 8.208 5.392 1.00 22.23 O ATOM 1639 CB VAL A 108 2.650 7.003 4.483 1.00 23.41 C ATOM 1640 CG1 VAL A 108 1.960 5.962 3.632 1.00 4.20 C ATOM 1641 CG2 VAL A 108 2.722 6.529 5.912 1.00 12.13 C ATOM 0 H VAL A 108 4.985 5.744 4.910 1.00 43.14 H new ATOM 0 HA VAL A 108 3.914 7.580 2.879 1.00 12.13 H new ATOM 0 HB VAL A 108 2.075 7.928 4.457 1.00 23.41 H new ATOM 0 HG11 VAL A 108 0.969 5.760 4.037 1.00 4.20 H new ATOM 0 HG12 VAL A 108 1.866 6.331 2.611 1.00 4.20 H new ATOM 0 HG13 VAL A 108 2.547 5.044 3.633 1.00 4.20 H new ATOM 0 HG21 VAL A 108 1.716 6.326 6.279 1.00 12.13 H new ATOM 0 HG22 VAL A 108 3.318 5.618 5.964 1.00 12.13 H new ATOM 0 HG23 VAL A 108 3.184 7.300 6.528 1.00 12.13 H new ATOM 1651 N TRP A 109 4.185 9.620 4.547 1.00 30.13 N ATOM 1652 CA TRP A 109 4.831 10.752 5.143 1.00 74.35 C ATOM 1653 C TRP A 109 4.429 10.839 6.594 1.00 75.11 C ATOM 1654 O TRP A 109 3.249 10.984 6.915 1.00 63.14 O ATOM 1655 CB TRP A 109 4.484 11.998 4.367 1.00 52.55 C ATOM 1656 CG TRP A 109 5.314 13.187 4.679 1.00 41.44 C ATOM 1657 CD1 TRP A 109 4.872 14.395 5.089 1.00 55.52 C ATOM 1658 CD2 TRP A 109 6.750 13.279 4.596 1.00 63.55 C ATOM 1659 NE1 TRP A 109 5.936 15.255 5.246 1.00 44.15 N ATOM 1660 CE2 TRP A 109 7.096 14.588 4.955 1.00 64.32 C ATOM 1661 CE3 TRP A 109 7.780 12.381 4.249 1.00 21.01 C ATOM 1662 CZ2 TRP A 109 8.412 15.030 4.975 1.00 50.30 C ATOM 1663 CZ3 TRP A 109 9.073 12.823 4.276 1.00 33.42 C ATOM 1664 CH2 TRP A 109 9.384 14.137 4.632 1.00 54.14 C ATOM 0 H TRP A 109 3.324 9.827 4.041 1.00 30.13 H new ATOM 0 HA TRP A 109 5.915 10.645 5.107 1.00 74.35 H new ATOM 0 HB2 TRP A 109 4.574 11.781 3.303 1.00 52.55 H new ATOM 0 HB3 TRP A 109 3.439 12.245 4.555 1.00 52.55 H new ATOM 0 HD1 TRP A 109 3.838 14.649 5.267 1.00 55.52 H new ATOM 0 HE1 TRP A 109 5.871 16.232 5.533 1.00 44.15 H new ATOM 0 HE3 TRP A 109 7.552 11.364 3.967 1.00 21.01 H new ATOM 0 HZ2 TRP A 109 8.657 16.045 5.252 1.00 50.30 H new ATOM 0 HZ3 TRP A 109 9.870 12.142 4.017 1.00 33.42 H new ATOM 0 HH2 TRP A 109 10.417 14.453 4.636 1.00 54.14 H new ATOM 1675 N VAL A 110 5.412 10.756 7.455 1.00 23.44 N ATOM 1676 CA VAL A 110 5.202 10.633 8.887 1.00 2.55 C ATOM 1677 C VAL A 110 4.613 11.930 9.486 1.00 12.33 C ATOM 1678 O VAL A 110 3.997 11.915 10.548 1.00 15.43 O ATOM 1679 CB VAL A 110 6.538 10.266 9.577 1.00 51.31 C ATOM 1680 CG1 VAL A 110 7.429 11.447 9.849 1.00 31.00 C ATOM 1681 CG2 VAL A 110 6.355 9.407 10.769 1.00 3.14 C ATOM 0 H VAL A 110 6.395 10.772 7.184 1.00 23.44 H new ATOM 0 HA VAL A 110 4.477 9.838 9.063 1.00 2.55 H new ATOM 0 HB VAL A 110 7.074 9.665 8.843 1.00 51.31 H new ATOM 0 HG11 VAL A 110 8.345 11.108 10.333 1.00 31.00 H new ATOM 0 HG12 VAL A 110 7.677 11.940 8.909 1.00 31.00 H new ATOM 0 HG13 VAL A 110 6.912 12.150 10.502 1.00 31.00 H new ATOM 0 HG21 VAL A 110 7.327 9.184 11.209 1.00 3.14 H new ATOM 0 HG22 VAL A 110 5.736 9.927 11.500 1.00 3.14 H new ATOM 0 HG23 VAL A 110 5.867 8.477 10.476 1.00 3.14 H new ATOM 1691 N ASN A 111 4.786 13.027 8.762 1.00 41.42 N ATOM 1692 CA ASN A 111 4.353 14.361 9.146 1.00 23.23 C ATOM 1693 C ASN A 111 2.906 14.603 8.769 1.00 4.12 C ATOM 1694 O ASN A 111 2.446 15.738 8.766 1.00 22.32 O ATOM 1695 CB ASN A 111 5.216 15.396 8.448 1.00 21.24 C ATOM 1696 CG ASN A 111 6.672 15.320 8.817 1.00 3.30 C ATOM 1697 OD1 ASN A 111 7.452 14.615 8.189 1.00 21.54 O ATOM 1698 ND2 ASN A 111 7.054 16.046 9.816 1.00 33.02 N ATOM 0 H ASN A 111 5.251 13.010 7.854 1.00 41.42 H new ATOM 0 HA ASN A 111 4.452 14.445 10.228 1.00 23.23 H new ATOM 0 HB2 ASN A 111 5.117 15.271 7.370 1.00 21.24 H new ATOM 0 HB3 ASN A 111 4.841 16.391 8.689 1.00 21.24 H new ATOM 0 HD21 ASN A 111 8.033 16.043 10.104 1.00 33.02 H new ATOM 0 HD22 ASN A 111 6.377 16.622 10.317 1.00 33.02 H new ATOM 1705 N LYS A 112 2.205 13.535 8.431 1.00 61.42 N ATOM 1706 CA LYS A 112 0.837 13.566 7.968 1.00 4.41 C ATOM 1707 C LYS A 112 -0.108 14.370 8.911 1.00 5.41 C ATOM 1708 O LYS A 112 -1.102 14.933 8.454 1.00 1.20 O ATOM 1709 CB LYS A 112 0.334 12.141 7.861 1.00 51.23 C ATOM 1710 CG LYS A 112 -0.998 12.035 7.188 1.00 14.12 C ATOM 1711 CD LYS A 112 -1.590 10.643 7.291 1.00 2.21 C ATOM 1712 CE LYS A 112 -1.919 10.275 8.737 1.00 61.43 C ATOM 1713 NZ LYS A 112 -2.556 8.949 8.840 1.00 21.42 N ATOM 0 H LYS A 112 2.590 12.591 8.474 1.00 61.42 H new ATOM 0 HA LYS A 112 0.827 14.070 7.002 1.00 4.41 H new ATOM 0 HB2 LYS A 112 1.061 11.546 7.308 1.00 51.23 H new ATOM 0 HB3 LYS A 112 0.264 11.711 8.860 1.00 51.23 H new ATOM 0 HG2 LYS A 112 -1.686 12.753 7.635 1.00 14.12 H new ATOM 0 HG3 LYS A 112 -0.893 12.305 6.137 1.00 14.12 H new ATOM 0 HD2 LYS A 112 -2.495 10.587 6.686 1.00 2.21 H new ATOM 0 HD3 LYS A 112 -0.887 9.917 6.882 1.00 2.21 H new ATOM 0 HE2 LYS A 112 -1.005 10.285 9.330 1.00 61.43 H new ATOM 0 HE3 LYS A 112 -2.582 11.029 9.161 1.00 61.43 H new ATOM 0 HZ1 LYS A 112 -2.762 8.739 9.838 1.00 21.42 H new ATOM 0 HZ2 LYS A 112 -3.442 8.946 8.295 1.00 21.42 H new ATOM 0 HZ3 LYS A 112 -1.914 8.225 8.460 1.00 21.42 H new ATOM 1727 N ASP A 113 0.222 14.434 10.202 1.00 33.40 N ATOM 1728 CA ASP A 113 -0.640 15.132 11.189 1.00 53.52 C ATOM 1729 C ASP A 113 -0.464 16.632 11.111 1.00 2.15 C ATOM 1730 O ASP A 113 -1.270 17.395 11.658 1.00 22.21 O ATOM 1731 CB ASP A 113 -0.382 14.674 12.634 1.00 21.23 C ATOM 1732 CG ASP A 113 -0.628 13.207 12.865 1.00 32.11 C ATOM 1733 OD1 ASP A 113 -1.796 12.814 13.111 1.00 43.24 O ATOM 1734 OD2 ASP A 113 0.347 12.427 12.837 1.00 64.21 O ATOM 0 H ASP A 113 1.067 14.020 10.596 1.00 33.40 H new ATOM 0 HA ASP A 113 -1.664 14.867 10.925 1.00 53.52 H new ATOM 0 HB2 ASP A 113 0.650 14.905 12.899 1.00 21.23 H new ATOM 0 HB3 ASP A 113 -1.020 15.249 13.306 1.00 21.23 H new ATOM 1739 N ASP A 114 0.586 17.056 10.465 1.00 0.43 N ATOM 1740 CA ASP A 114 0.833 18.464 10.259 1.00 41.41 C ATOM 1741 C ASP A 114 0.180 18.842 8.954 1.00 52.51 C ATOM 1742 O ASP A 114 0.233 18.045 8.015 1.00 64.52 O ATOM 1743 CB ASP A 114 2.344 18.740 10.186 1.00 21.51 C ATOM 1744 CG ASP A 114 2.676 20.210 10.026 1.00 5.23 C ATOM 1745 OD1 ASP A 114 2.651 20.937 11.040 1.00 15.02 O ATOM 1746 OD2 ASP A 114 2.967 20.653 8.893 1.00 12.11 O ATOM 0 H ASP A 114 1.295 16.441 10.066 1.00 0.43 H new ATOM 0 HA ASP A 114 0.427 19.048 11.085 1.00 41.41 H new ATOM 0 HB2 ASP A 114 2.820 18.363 11.092 1.00 21.51 H new ATOM 0 HB3 ASP A 114 2.768 18.185 9.349 1.00 21.51 H new ATOM 1751 N PRO A 115 -0.490 20.018 8.874 1.00 51.41 N ATOM 1752 CA PRO A 115 -1.164 20.493 7.653 1.00 22.41 C ATOM 1753 C PRO A 115 -0.355 20.208 6.383 1.00 14.44 C ATOM 1754 O PRO A 115 0.708 20.785 6.159 1.00 4.11 O ATOM 1755 CB PRO A 115 -1.277 21.994 7.888 1.00 4.35 C ATOM 1756 CG PRO A 115 -1.425 22.125 9.364 1.00 75.43 C ATOM 1757 CD PRO A 115 -0.656 20.981 9.982 1.00 24.11 C ATOM 0 HA PRO A 115 -2.119 19.993 7.491 1.00 22.41 H new ATOM 0 HB2 PRO A 115 -0.393 22.521 7.529 1.00 4.35 H new ATOM 0 HB3 PRO A 115 -2.134 22.415 7.363 1.00 4.35 H new ATOM 0 HG2 PRO A 115 -1.036 23.083 9.708 1.00 75.43 H new ATOM 0 HG3 PRO A 115 -2.475 22.085 9.652 1.00 75.43 H new ATOM 0 HD2 PRO A 115 0.307 21.312 10.370 1.00 24.11 H new ATOM 0 HD3 PRO A 115 -1.201 20.539 10.816 1.00 24.11 H new ATOM 1765 N ARG A 116 -0.833 19.278 5.593 1.00 75.21 N ATOM 1766 CA ARG A 116 -0.137 18.884 4.392 1.00 73.41 C ATOM 1767 C ARG A 116 -0.678 19.625 3.205 1.00 64.12 C ATOM 1768 O ARG A 116 -1.772 20.208 3.269 1.00 33.22 O ATOM 1769 CB ARG A 116 -0.289 17.369 4.127 1.00 12.54 C ATOM 1770 CG ARG A 116 0.286 16.410 5.180 1.00 53.22 C ATOM 1771 CD ARG A 116 1.799 16.545 5.356 1.00 34.00 C ATOM 1772 NE ARG A 116 2.192 17.791 6.014 1.00 43.34 N ATOM 1773 CZ ARG A 116 3.390 18.375 5.920 1.00 12.43 C ATOM 1774 NH1 ARG A 116 4.309 17.902 5.084 1.00 34.22 N ATOM 1775 NH2 ARG A 116 3.664 19.436 6.642 1.00 73.12 N ATOM 0 H ARG A 116 -1.706 18.777 5.761 1.00 75.21 H new ATOM 0 HA ARG A 116 0.916 19.123 4.538 1.00 73.41 H new ATOM 0 HB2 ARG A 116 -1.351 17.151 4.016 1.00 12.54 H new ATOM 0 HB3 ARG A 116 0.185 17.144 3.171 1.00 12.54 H new ATOM 0 HG2 ARG A 116 -0.202 16.596 6.137 1.00 53.22 H new ATOM 0 HG3 ARG A 116 0.050 15.385 4.896 1.00 53.22 H new ATOM 0 HD2 ARG A 116 2.167 15.701 5.939 1.00 34.00 H new ATOM 0 HD3 ARG A 116 2.279 16.490 4.379 1.00 34.00 H new ATOM 0 HE ARG A 116 1.492 18.253 6.594 1.00 43.34 H new ATOM 0 HH11 ARG A 116 4.102 17.086 4.507 1.00 34.22 H new ATOM 0 HH12 ARG A 116 5.221 18.355 5.019 1.00 34.22 H new ATOM 0 HH21 ARG A 116 2.962 19.816 7.276 1.00 73.12 H new ATOM 0 HH22 ARG A 116 4.579 19.880 6.569 1.00 73.12 H new ATOM 1789 N MET A 117 0.090 19.627 2.140 1.00 42.50 N ATOM 1790 CA MET A 117 -0.355 20.135 0.871 1.00 22.45 C ATOM 1791 C MET A 117 -1.309 19.113 0.338 1.00 35.14 C ATOM 1792 O MET A 117 -0.895 18.105 -0.213 1.00 12.51 O ATOM 1793 CB MET A 117 0.819 20.303 -0.114 1.00 32.21 C ATOM 1794 CG MET A 117 1.945 21.245 0.358 1.00 73.40 C ATOM 1795 SD MET A 117 2.845 20.643 1.824 1.00 31.44 S ATOM 1796 CE MET A 117 3.985 21.992 2.115 1.00 31.43 C ATOM 0 H MET A 117 1.047 19.273 2.134 1.00 42.50 H new ATOM 0 HA MET A 117 -0.814 21.117 0.990 1.00 22.45 H new ATOM 0 HB2 MET A 117 1.249 19.321 -0.313 1.00 32.21 H new ATOM 0 HB3 MET A 117 0.427 20.677 -1.060 1.00 32.21 H new ATOM 0 HG2 MET A 117 2.653 21.386 -0.458 1.00 73.40 H new ATOM 0 HG3 MET A 117 1.518 22.222 0.582 1.00 73.40 H new ATOM 0 HE1 MET A 117 4.343 21.950 3.144 1.00 31.43 H new ATOM 0 HE2 MET A 117 4.831 21.907 1.432 1.00 31.43 H new ATOM 0 HE3 MET A 117 3.476 22.941 1.946 1.00 31.43 H new ATOM 1920 N GLU A 125 -8.780 19.004 -8.363 1.00 35.14 N ATOM 1921 CA GLU A 125 -8.514 17.826 -7.583 1.00 62.30 C ATOM 1922 C GLU A 125 -8.735 18.143 -6.112 1.00 44.20 C ATOM 1923 O GLU A 125 -9.316 17.348 -5.371 1.00 1.42 O ATOM 1924 CB GLU A 125 -7.089 17.329 -7.831 1.00 21.32 C ATOM 1925 CG GLU A 125 -6.744 16.042 -7.113 1.00 65.41 C ATOM 1926 CD GLU A 125 -5.342 15.581 -7.397 1.00 63.51 C ATOM 1927 OE1 GLU A 125 -5.130 14.864 -8.386 1.00 3.02 O ATOM 1928 OE2 GLU A 125 -4.434 15.900 -6.620 1.00 23.01 O ATOM 0 HA GLU A 125 -9.196 17.029 -7.881 1.00 62.30 H new ATOM 0 HB2 GLU A 125 -6.949 17.182 -8.902 1.00 21.32 H new ATOM 0 HB3 GLU A 125 -6.388 18.104 -7.521 1.00 21.32 H new ATOM 0 HG2 GLU A 125 -6.865 16.185 -6.039 1.00 65.41 H new ATOM 0 HG3 GLU A 125 -7.446 15.264 -7.412 1.00 65.41 H new ATOM 1935 N TRP A 126 -8.314 19.325 -5.714 1.00 15.04 N ATOM 1936 CA TRP A 126 -8.495 19.781 -4.355 1.00 54.34 C ATOM 1937 C TRP A 126 -9.971 19.885 -4.033 1.00 24.25 C ATOM 1938 O TRP A 126 -10.422 19.379 -3.019 1.00 12.41 O ATOM 1939 CB TRP A 126 -7.811 21.126 -4.157 1.00 44.04 C ATOM 1940 CG TRP A 126 -7.953 21.706 -2.777 1.00 54.22 C ATOM 1941 CD1 TRP A 126 -7.623 21.109 -1.590 1.00 50.44 C ATOM 1942 CD2 TRP A 126 -8.424 23.011 -2.450 1.00 1.35 C ATOM 1943 NE1 TRP A 126 -7.872 21.960 -0.553 1.00 74.54 N ATOM 1944 CE2 TRP A 126 -8.363 23.136 -1.052 1.00 14.52 C ATOM 1945 CE3 TRP A 126 -8.895 24.086 -3.205 1.00 52.22 C ATOM 1946 CZ2 TRP A 126 -8.755 24.294 -0.393 1.00 24.41 C ATOM 1947 CZ3 TRP A 126 -9.282 25.233 -2.550 1.00 62.14 C ATOM 1948 CH2 TRP A 126 -9.208 25.328 -1.160 1.00 4.23 C ATOM 0 H TRP A 126 -7.839 19.993 -6.321 1.00 15.04 H new ATOM 0 HA TRP A 126 -8.041 19.058 -3.677 1.00 54.34 H new ATOM 0 HB2 TRP A 126 -6.750 21.016 -4.383 1.00 44.04 H new ATOM 0 HB3 TRP A 126 -8.218 21.835 -4.878 1.00 44.04 H new ATOM 0 HD1 TRP A 126 -7.224 20.111 -1.489 1.00 50.44 H new ATOM 0 HE1 TRP A 126 -7.717 21.753 0.434 1.00 74.54 H new ATOM 0 HE3 TRP A 126 -8.955 24.019 -4.281 1.00 52.22 H new ATOM 0 HZ2 TRP A 126 -8.703 24.373 0.683 1.00 24.41 H new ATOM 0 HZ3 TRP A 126 -9.649 26.073 -3.121 1.00 62.14 H new ATOM 0 HH2 TRP A 126 -9.517 26.244 -0.678 1.00 4.23 H new ATOM 1959 N ARG A 127 -10.712 20.517 -4.919 1.00 13.42 N ATOM 1960 CA ARG A 127 -12.145 20.715 -4.745 1.00 52.12 C ATOM 1961 C ARG A 127 -12.899 19.380 -4.609 1.00 24.33 C ATOM 1962 O ARG A 127 -13.714 19.206 -3.683 1.00 71.22 O ATOM 1963 CB ARG A 127 -12.707 21.519 -5.914 1.00 54.41 C ATOM 1964 CG ARG A 127 -14.200 21.801 -5.831 1.00 24.13 C ATOM 1965 CD ARG A 127 -14.659 22.554 -7.056 1.00 44.33 C ATOM 1966 NE ARG A 127 -16.100 22.837 -7.052 1.00 2.30 N ATOM 1967 CZ ARG A 127 -16.826 23.024 -8.165 1.00 44.30 C ATOM 1968 NH1 ARG A 127 -16.249 22.922 -9.355 1.00 61.41 N ATOM 1969 NH2 ARG A 127 -18.122 23.313 -8.087 1.00 34.33 N ATOM 0 H ARG A 127 -10.341 20.911 -5.784 1.00 13.42 H new ATOM 0 HA ARG A 127 -12.291 21.269 -3.818 1.00 52.12 H new ATOM 0 HB2 ARG A 127 -12.174 22.468 -5.974 1.00 54.41 H new ATOM 0 HB3 ARG A 127 -12.504 20.980 -6.839 1.00 54.41 H new ATOM 0 HG2 ARG A 127 -14.750 20.864 -5.744 1.00 24.13 H new ATOM 0 HG3 ARG A 127 -14.418 22.382 -4.935 1.00 24.13 H new ATOM 0 HD2 ARG A 127 -14.111 23.493 -7.124 1.00 44.33 H new ATOM 0 HD3 ARG A 127 -14.411 21.975 -7.945 1.00 44.33 H new ATOM 0 HE ARG A 127 -16.576 22.895 -6.152 1.00 2.30 H new ATOM 0 HH11 ARG A 127 -15.255 22.702 -9.423 1.00 61.41 H new ATOM 0 HH12 ARG A 127 -16.799 23.064 -10.202 1.00 61.41 H new ATOM 0 HH21 ARG A 127 -18.572 23.394 -7.175 1.00 34.33 H new ATOM 0 HH22 ARG A 127 -18.665 23.453 -8.939 1.00 34.33 H new ATOM 1983 N VAL A 128 -12.619 18.436 -5.501 1.00 63.15 N ATOM 1984 CA VAL A 128 -13.331 17.161 -5.478 1.00 43.32 C ATOM 1985 C VAL A 128 -12.963 16.314 -4.262 1.00 61.35 C ATOM 1986 O VAL A 128 -13.842 15.711 -3.634 1.00 70.10 O ATOM 1987 CB VAL A 128 -13.189 16.331 -6.796 1.00 54.25 C ATOM 1988 CG1 VAL A 128 -13.681 17.120 -7.986 1.00 11.24 C ATOM 1989 CG2 VAL A 128 -11.768 15.866 -7.026 1.00 53.42 C ATOM 0 H VAL A 128 -11.918 18.525 -6.237 1.00 63.15 H new ATOM 0 HA VAL A 128 -14.383 17.434 -5.398 1.00 43.32 H new ATOM 0 HB VAL A 128 -13.811 15.444 -6.680 1.00 54.25 H new ATOM 0 HG11 VAL A 128 -13.572 16.521 -8.890 1.00 11.24 H new ATOM 0 HG12 VAL A 128 -14.731 17.375 -7.844 1.00 11.24 H new ATOM 0 HG13 VAL A 128 -13.096 18.034 -8.084 1.00 11.24 H new ATOM 0 HG21 VAL A 128 -11.718 15.294 -7.952 1.00 53.42 H new ATOM 0 HG22 VAL A 128 -11.109 16.731 -7.098 1.00 53.42 H new ATOM 0 HG23 VAL A 128 -11.452 15.237 -6.194 1.00 53.42 H new ATOM 1999 N VAL A 129 -11.682 16.299 -3.901 1.00 65.23 N ATOM 2000 CA VAL A 129 -11.240 15.489 -2.782 1.00 74.23 C ATOM 2001 C VAL A 129 -11.589 16.173 -1.450 1.00 24.42 C ATOM 2002 O VAL A 129 -11.813 15.505 -0.453 1.00 70.53 O ATOM 2003 CB VAL A 129 -9.725 15.127 -2.859 1.00 45.15 C ATOM 2004 CG1 VAL A 129 -9.334 14.200 -1.721 1.00 0.43 C ATOM 2005 CG2 VAL A 129 -9.404 14.457 -4.190 1.00 33.05 C ATOM 0 H VAL A 129 -10.945 16.832 -4.363 1.00 65.23 H new ATOM 0 HA VAL A 129 -11.779 14.543 -2.838 1.00 74.23 H new ATOM 0 HB VAL A 129 -9.155 16.052 -2.775 1.00 45.15 H new ATOM 0 HG11 VAL A 129 -8.273 13.961 -1.795 1.00 0.43 H new ATOM 0 HG12 VAL A 129 -9.530 14.691 -0.768 1.00 0.43 H new ATOM 0 HG13 VAL A 129 -9.918 13.282 -1.783 1.00 0.43 H new ATOM 0 HG21 VAL A 129 -8.343 14.211 -4.227 1.00 33.05 H new ATOM 0 HG22 VAL A 129 -9.992 13.544 -4.289 1.00 33.05 H new ATOM 0 HG23 VAL A 129 -9.648 15.136 -5.007 1.00 33.05 H new ATOM 2015 N HIS A 130 -11.658 17.510 -1.453 1.00 41.12 N ATOM 2016 CA HIS A 130 -12.090 18.278 -0.266 1.00 63.31 C ATOM 2017 C HIS A 130 -13.462 17.782 0.170 1.00 25.25 C ATOM 2018 O HIS A 130 -13.683 17.497 1.340 1.00 71.23 O ATOM 2019 CB HIS A 130 -12.129 19.806 -0.588 1.00 73.12 C ATOM 2020 CG HIS A 130 -12.624 20.720 0.517 1.00 13.33 C ATOM 2021 ND1 HIS A 130 -11.801 21.575 1.221 1.00 0.23 N ATOM 2022 CD2 HIS A 130 -13.873 20.944 0.991 1.00 5.31 C ATOM 2023 CE1 HIS A 130 -12.527 22.273 2.072 1.00 43.13 C ATOM 2024 NE2 HIS A 130 -13.780 21.907 1.952 1.00 32.34 N ATOM 0 H HIS A 130 -11.422 18.087 -2.260 1.00 41.12 H new ATOM 0 HA HIS A 130 -11.378 18.129 0.546 1.00 63.31 H new ATOM 0 HB2 HIS A 130 -11.123 20.121 -0.866 1.00 73.12 H new ATOM 0 HB3 HIS A 130 -12.763 19.954 -1.462 1.00 73.12 H new ATOM 0 HD2 HIS A 130 -14.777 20.450 0.667 1.00 5.31 H new ATOM 0 HE1 HIS A 130 -12.152 23.022 2.754 1.00 43.13 H new ATOM 0 HE2 HIS A 130 -14.560 22.282 2.491 1.00 32.34 H new ATOM 2033 N ALA A 131 -14.355 17.649 -0.794 1.00 72.24 N ATOM 2034 CA ALA A 131 -15.699 17.166 -0.543 1.00 2.23 C ATOM 2035 C ALA A 131 -15.673 15.738 0.000 1.00 25.40 C ATOM 2036 O ALA A 131 -16.409 15.398 0.931 1.00 74.11 O ATOM 2037 CB ALA A 131 -16.515 17.231 -1.818 1.00 43.41 C ATOM 0 H ALA A 131 -14.168 17.873 -1.772 1.00 72.24 H new ATOM 0 HA ALA A 131 -16.162 17.804 0.210 1.00 2.23 H new ATOM 0 HB1 ALA A 131 -17.524 16.867 -1.623 1.00 43.41 H new ATOM 0 HB2 ALA A 131 -16.563 18.262 -2.167 1.00 43.41 H new ATOM 0 HB3 ALA A 131 -16.046 16.611 -2.582 1.00 43.41 H new ATOM 2043 N GLU A 132 -14.816 14.910 -0.578 1.00 41.31 N ATOM 2044 CA GLU A 132 -14.687 13.514 -0.171 1.00 52.21 C ATOM 2045 C GLU A 132 -14.107 13.395 1.239 1.00 2.44 C ATOM 2046 O GLU A 132 -14.558 12.581 2.035 1.00 44.35 O ATOM 2047 CB GLU A 132 -13.805 12.742 -1.154 1.00 44.35 C ATOM 2048 CG GLU A 132 -14.330 12.695 -2.581 1.00 12.11 C ATOM 2049 CD GLU A 132 -15.705 12.083 -2.682 1.00 21.40 C ATOM 2050 OE1 GLU A 132 -15.825 10.847 -2.597 1.00 3.34 O ATOM 2051 OE2 GLU A 132 -16.694 12.838 -2.852 1.00 13.00 O ATOM 0 H GLU A 132 -14.193 15.182 -1.338 1.00 41.31 H new ATOM 0 HA GLU A 132 -15.688 13.083 -0.172 1.00 52.21 H new ATOM 0 HB2 GLU A 132 -12.813 13.193 -1.162 1.00 44.35 H new ATOM 0 HB3 GLU A 132 -13.688 11.721 -0.791 1.00 44.35 H new ATOM 0 HG2 GLU A 132 -14.358 13.707 -2.986 1.00 12.11 H new ATOM 0 HG3 GLU A 132 -13.637 12.123 -3.199 1.00 12.11 H new ATOM 2058 N LYS A 133 -13.123 14.220 1.540 1.00 65.31 N ATOM 2059 CA LYS A 133 -12.451 14.176 2.825 1.00 12.01 C ATOM 2060 C LYS A 133 -13.442 14.607 3.901 1.00 1.01 C ATOM 2061 O LYS A 133 -13.683 13.882 4.833 1.00 52.30 O ATOM 2062 CB LYS A 133 -11.219 15.117 2.810 1.00 4.51 C ATOM 2063 CG LYS A 133 -10.011 14.811 3.783 1.00 43.03 C ATOM 2064 CD LYS A 133 -10.310 14.777 5.301 1.00 2.11 C ATOM 2065 CE LYS A 133 -10.935 13.460 5.779 1.00 2.40 C ATOM 2066 NZ LYS A 133 -10.055 12.283 5.565 1.00 30.53 N ATOM 0 H LYS A 133 -12.768 14.936 0.906 1.00 65.31 H new ATOM 0 HA LYS A 133 -12.101 13.165 3.034 1.00 12.01 H new ATOM 0 HB2 LYS A 133 -10.827 15.131 1.793 1.00 4.51 H new ATOM 0 HB3 LYS A 133 -11.572 16.125 3.029 1.00 4.51 H new ATOM 0 HG2 LYS A 133 -9.588 13.847 3.501 1.00 43.03 H new ATOM 0 HG3 LYS A 133 -9.240 15.561 3.608 1.00 43.03 H new ATOM 0 HD2 LYS A 133 -9.383 14.948 5.848 1.00 2.11 H new ATOM 0 HD3 LYS A 133 -10.983 15.598 5.548 1.00 2.11 H new ATOM 0 HE2 LYS A 133 -11.171 13.541 6.840 1.00 2.40 H new ATOM 0 HE3 LYS A 133 -11.877 13.301 5.255 1.00 2.40 H new ATOM 0 HZ1 LYS A 133 -10.445 11.462 6.070 1.00 30.53 H new ATOM 0 HZ2 LYS A 133 -10.000 12.071 4.548 1.00 30.53 H new ATOM 0 HZ3 LYS A 133 -9.102 12.491 5.927 1.00 30.53 H new ATOM 2080 N PHE A 134 -14.053 15.759 3.728 1.00 3.32 N ATOM 2081 CA PHE A 134 -14.954 16.282 4.747 1.00 15.20 C ATOM 2082 C PHE A 134 -16.192 15.425 5.013 1.00 5.14 C ATOM 2083 O PHE A 134 -16.689 15.394 6.152 1.00 73.02 O ATOM 2084 CB PHE A 134 -15.272 17.763 4.557 1.00 23.20 C ATOM 2085 CG PHE A 134 -14.089 18.648 4.862 1.00 20.33 C ATOM 2086 CD1 PHE A 134 -13.109 18.882 3.920 1.00 32.02 C ATOM 2087 CD2 PHE A 134 -13.959 19.235 6.110 1.00 63.02 C ATOM 2088 CE1 PHE A 134 -12.021 19.680 4.205 1.00 45.21 C ATOM 2089 CE2 PHE A 134 -12.874 20.038 6.405 1.00 32.51 C ATOM 2090 CZ PHE A 134 -11.901 20.259 5.450 1.00 4.23 C ATOM 0 H PHE A 134 -13.948 16.350 2.903 1.00 3.32 H new ATOM 0 HA PHE A 134 -14.384 16.210 5.673 1.00 15.20 H new ATOM 0 HB2 PHE A 134 -15.595 17.934 3.530 1.00 23.20 H new ATOM 0 HB3 PHE A 134 -16.105 18.039 5.203 1.00 23.20 H new ATOM 0 HD1 PHE A 134 -13.195 18.432 2.942 1.00 32.02 H new ATOM 0 HD2 PHE A 134 -14.715 19.063 6.862 1.00 63.02 H new ATOM 0 HE1 PHE A 134 -11.264 19.851 3.454 1.00 45.21 H new ATOM 0 HE2 PHE A 134 -12.787 20.492 7.381 1.00 32.51 H new ATOM 0 HZ PHE A 134 -11.050 20.883 5.678 1.00 4.23 H new ATOM 2100 N VAL A 135 -16.704 14.725 4.006 1.00 2.10 N ATOM 2101 CA VAL A 135 -17.815 13.827 4.263 1.00 31.52 C ATOM 2102 C VAL A 135 -17.314 12.601 5.069 1.00 33.12 C ATOM 2103 O VAL A 135 -18.007 12.092 5.946 1.00 13.21 O ATOM 2104 CB VAL A 135 -18.573 13.385 2.966 1.00 52.52 C ATOM 2105 CG1 VAL A 135 -17.712 12.534 2.049 1.00 43.02 C ATOM 2106 CG2 VAL A 135 -19.869 12.674 3.308 1.00 14.11 C ATOM 0 H VAL A 135 -16.380 14.760 3.040 1.00 2.10 H new ATOM 0 HA VAL A 135 -18.548 14.378 4.852 1.00 31.52 H new ATOM 0 HB VAL A 135 -18.813 14.296 2.417 1.00 52.52 H new ATOM 0 HG11 VAL A 135 -18.287 12.255 1.166 1.00 43.02 H new ATOM 0 HG12 VAL A 135 -16.832 13.102 1.746 1.00 43.02 H new ATOM 0 HG13 VAL A 135 -17.398 11.633 2.577 1.00 43.02 H new ATOM 0 HG21 VAL A 135 -20.375 12.378 2.389 1.00 14.11 H new ATOM 0 HG22 VAL A 135 -19.651 11.788 3.904 1.00 14.11 H new ATOM 0 HG23 VAL A 135 -20.513 13.345 3.877 1.00 14.11 H new ATOM 2116 N GLU A 136 -16.087 12.179 4.783 1.00 65.42 N ATOM 2117 CA GLU A 136 -15.435 11.096 5.447 1.00 23.35 C ATOM 2118 C GLU A 136 -15.106 11.519 6.899 1.00 51.11 C ATOM 2119 O GLU A 136 -15.169 10.717 7.821 1.00 2.42 O ATOM 2120 CB GLU A 136 -14.207 10.794 4.608 1.00 73.23 C ATOM 2121 CG GLU A 136 -13.487 9.519 4.862 1.00 54.11 C ATOM 2122 CD GLU A 136 -12.683 9.475 6.121 1.00 13.25 C ATOM 2123 OE1 GLU A 136 -11.582 10.076 6.154 1.00 61.33 O ATOM 2124 OE2 GLU A 136 -13.102 8.839 7.075 1.00 30.11 O ATOM 0 H GLU A 136 -15.514 12.607 4.056 1.00 65.42 H new ATOM 0 HA GLU A 136 -16.045 10.197 5.533 1.00 23.35 H new ATOM 0 HB2 GLU A 136 -14.507 10.805 3.560 1.00 73.23 H new ATOM 0 HB3 GLU A 136 -13.499 11.611 4.746 1.00 73.23 H new ATOM 0 HG2 GLU A 136 -14.216 8.709 4.888 1.00 54.11 H new ATOM 0 HG3 GLU A 136 -12.823 9.323 4.020 1.00 54.11 H new ATOM 2131 N THR A 137 -14.783 12.789 7.077 1.00 43.33 N ATOM 2132 CA THR A 137 -14.593 13.375 8.403 1.00 22.42 C ATOM 2133 C THR A 137 -15.877 13.189 9.231 1.00 32.55 C ATOM 2134 O THR A 137 -15.832 12.793 10.406 1.00 13.40 O ATOM 2135 CB THR A 137 -14.286 14.890 8.293 1.00 4.15 C ATOM 2136 OG1 THR A 137 -13.140 15.085 7.459 1.00 4.11 O ATOM 2137 CG2 THR A 137 -14.026 15.498 9.668 1.00 61.54 C ATOM 0 H THR A 137 -14.644 13.447 6.310 1.00 43.33 H new ATOM 0 HA THR A 137 -13.753 12.875 8.885 1.00 22.42 H new ATOM 0 HB THR A 137 -15.153 15.386 7.857 1.00 4.15 H new ATOM 0 HG1 THR A 137 -13.298 14.673 6.584 1.00 4.11 H new ATOM 0 HG21 THR A 137 -13.813 16.562 9.561 1.00 61.54 H new ATOM 0 HG22 THR A 137 -14.906 15.365 10.297 1.00 61.54 H new ATOM 0 HG23 THR A 137 -13.172 15.002 10.130 1.00 61.54 H new ATOM 2145 N PHE A 138 -17.018 13.446 8.595 1.00 52.03 N ATOM 2146 CA PHE A 138 -18.304 13.283 9.230 1.00 3.35 C ATOM 2147 C PHE A 138 -18.536 11.813 9.520 1.00 41.24 C ATOM 2148 O PHE A 138 -19.113 11.455 10.540 1.00 1.45 O ATOM 2149 CB PHE A 138 -19.418 13.836 8.337 1.00 45.34 C ATOM 2150 CG PHE A 138 -20.791 13.782 8.949 1.00 61.43 C ATOM 2151 CD1 PHE A 138 -21.200 14.760 9.835 1.00 15.05 C ATOM 2152 CD2 PHE A 138 -21.673 12.762 8.630 1.00 70.43 C ATOM 2153 CE1 PHE A 138 -22.456 14.724 10.400 1.00 43.30 C ATOM 2154 CE2 PHE A 138 -22.932 12.718 9.191 1.00 32.03 C ATOM 2155 CZ PHE A 138 -23.326 13.702 10.077 1.00 52.13 C ATOM 0 H PHE A 138 -17.067 13.771 7.629 1.00 52.03 H new ATOM 0 HA PHE A 138 -18.316 13.841 10.166 1.00 3.35 H new ATOM 0 HB2 PHE A 138 -19.186 14.871 8.087 1.00 45.34 H new ATOM 0 HB3 PHE A 138 -19.428 13.276 7.402 1.00 45.34 H new ATOM 0 HD1 PHE A 138 -20.525 15.564 10.088 1.00 15.05 H new ATOM 0 HD2 PHE A 138 -21.371 11.993 7.934 1.00 70.43 H new ATOM 0 HE1 PHE A 138 -22.759 15.494 11.094 1.00 43.30 H new ATOM 0 HE2 PHE A 138 -23.609 11.915 8.938 1.00 32.03 H new ATOM 0 HZ PHE A 138 -24.312 13.672 10.516 1.00 52.13 H new ATOM 2165 N ARG A 139 -18.075 10.961 8.619 1.00 44.12 N ATOM 2166 CA ARG A 139 -18.166 9.545 8.838 1.00 41.22 C ATOM 2167 C ARG A 139 -17.389 9.167 10.085 1.00 21.21 C ATOM 2168 O ARG A 139 -17.924 8.542 10.966 1.00 43.32 O ATOM 2169 CB ARG A 139 -17.658 8.729 7.661 1.00 43.13 C ATOM 2170 CG ARG A 139 -18.419 8.905 6.369 1.00 4.20 C ATOM 2171 CD ARG A 139 -17.881 7.951 5.327 1.00 53.40 C ATOM 2172 NE ARG A 139 -18.021 6.563 5.777 1.00 31.32 N ATOM 2173 CZ ARG A 139 -17.404 5.501 5.256 1.00 41.23 C ATOM 2174 NH1 ARG A 139 -16.574 5.628 4.228 1.00 12.32 N ATOM 2175 NH2 ARG A 139 -17.629 4.306 5.780 1.00 4.20 N ATOM 0 H ARG A 139 -17.639 11.232 7.738 1.00 44.12 H new ATOM 0 HA ARG A 139 -19.224 9.312 8.960 1.00 41.22 H new ATOM 0 HB2 ARG A 139 -16.614 8.989 7.485 1.00 43.13 H new ATOM 0 HB3 ARG A 139 -17.682 7.674 7.935 1.00 43.13 H new ATOM 0 HG2 ARG A 139 -19.480 8.719 6.533 1.00 4.20 H new ATOM 0 HG3 ARG A 139 -18.326 9.933 6.018 1.00 4.20 H new ATOM 0 HD2 ARG A 139 -18.416 8.090 4.388 1.00 53.40 H new ATOM 0 HD3 ARG A 139 -16.832 8.172 5.132 1.00 53.40 H new ATOM 0 HE ARG A 139 -18.649 6.393 6.562 1.00 31.32 H new ATOM 0 HH11 ARG A 139 -16.400 6.548 3.824 1.00 12.32 H new ATOM 0 HH12 ARG A 139 -16.111 4.805 3.842 1.00 12.32 H new ATOM 0 HH21 ARG A 139 -18.266 4.207 6.570 1.00 4.20 H new ATOM 0 HH22 ARG A 139 -17.165 3.484 5.393 1.00 4.20 H new ATOM 2189 N LYS A 140 -16.124 9.583 10.148 1.00 73.32 N ATOM 2190 CA LYS A 140 -15.268 9.310 11.310 1.00 62.12 C ATOM 2191 C LYS A 140 -15.856 9.808 12.616 1.00 40.25 C ATOM 2192 O LYS A 140 -15.753 9.125 13.625 1.00 5.25 O ATOM 2193 CB LYS A 140 -13.850 9.861 11.135 1.00 71.42 C ATOM 2194 CG LYS A 140 -12.980 9.102 10.146 1.00 43.23 C ATOM 2195 CD LYS A 140 -12.687 7.682 10.628 1.00 53.04 C ATOM 2196 CE LYS A 140 -11.744 6.943 9.683 1.00 51.23 C ATOM 2197 NZ LYS A 140 -12.329 6.719 8.344 1.00 62.10 N ATOM 0 H LYS A 140 -15.665 10.112 9.407 1.00 73.32 H new ATOM 0 HA LYS A 140 -15.213 8.223 11.365 1.00 62.12 H new ATOM 0 HB2 LYS A 140 -13.918 10.900 10.812 1.00 71.42 H new ATOM 0 HB3 LYS A 140 -13.354 9.861 12.106 1.00 71.42 H new ATOM 0 HG2 LYS A 140 -13.479 9.062 9.178 1.00 43.23 H new ATOM 0 HG3 LYS A 140 -12.042 9.638 10.000 1.00 43.23 H new ATOM 0 HD2 LYS A 140 -12.246 7.721 11.624 1.00 53.04 H new ATOM 0 HD3 LYS A 140 -13.622 7.128 10.715 1.00 53.04 H new ATOM 0 HE2 LYS A 140 -10.821 7.514 9.580 1.00 51.23 H new ATOM 0 HE3 LYS A 140 -11.477 5.982 10.123 1.00 51.23 H new ATOM 0 HZ1 LYS A 140 -11.665 6.169 7.762 1.00 62.10 H new ATOM 0 HZ2 LYS A 140 -13.222 6.195 8.439 1.00 62.10 H new ATOM 0 HZ3 LYS A 140 -12.512 7.635 7.888 1.00 62.10 H new ATOM 2211 N MET A 141 -16.487 10.981 12.606 1.00 24.04 N ATOM 2212 CA MET A 141 -17.063 11.508 13.836 1.00 4.13 C ATOM 2213 C MET A 141 -18.239 10.634 14.280 1.00 12.32 C ATOM 2214 O MET A 141 -18.482 10.449 15.473 1.00 71.43 O ATOM 2215 CB MET A 141 -17.432 13.032 13.727 1.00 33.41 C ATOM 2216 CG MET A 141 -18.621 13.432 12.831 1.00 5.21 C ATOM 2217 SD MET A 141 -20.256 12.951 13.468 1.00 4.43 S ATOM 2218 CE MET A 141 -20.252 13.756 15.070 1.00 20.05 C ATOM 0 H MET A 141 -16.609 11.569 11.782 1.00 24.04 H new ATOM 0 HA MET A 141 -16.303 11.462 14.616 1.00 4.13 H new ATOM 0 HB2 MET A 141 -17.636 13.398 14.733 1.00 33.41 H new ATOM 0 HB3 MET A 141 -16.551 13.563 13.367 1.00 33.41 H new ATOM 0 HG2 MET A 141 -18.605 14.513 12.692 1.00 5.21 H new ATOM 0 HG3 MET A 141 -18.484 12.982 11.848 1.00 5.21 H new ATOM 0 HE1 MET A 141 -21.259 14.101 15.306 1.00 20.05 H new ATOM 0 HE2 MET A 141 -19.923 13.049 15.832 1.00 20.05 H new ATOM 0 HE3 MET A 141 -19.572 14.608 15.048 1.00 20.05 H new ATOM 2228 N LEU A 142 -18.927 10.064 13.303 1.00 43.11 N ATOM 2229 CA LEU A 142 -20.038 9.182 13.550 1.00 54.43 C ATOM 2230 C LEU A 142 -19.519 7.814 13.991 1.00 11.24 C ATOM 2231 O LEU A 142 -20.045 7.218 14.924 1.00 75.14 O ATOM 2232 CB LEU A 142 -20.908 9.071 12.287 1.00 1.13 C ATOM 2233 CG LEU A 142 -22.163 8.194 12.373 1.00 61.11 C ATOM 2234 CD1 LEU A 142 -23.111 8.706 13.447 1.00 61.35 C ATOM 2235 CD2 LEU A 142 -22.863 8.152 11.026 1.00 64.21 C ATOM 0 H LEU A 142 -18.723 10.206 12.314 1.00 43.11 H new ATOM 0 HA LEU A 142 -20.658 9.585 14.351 1.00 54.43 H new ATOM 0 HB2 LEU A 142 -21.218 10.076 12.001 1.00 1.13 H new ATOM 0 HB3 LEU A 142 -20.284 8.688 11.480 1.00 1.13 H new ATOM 0 HG LEU A 142 -21.858 7.183 12.645 1.00 61.11 H new ATOM 0 HD11 LEU A 142 -23.993 8.067 13.488 1.00 61.35 H new ATOM 0 HD12 LEU A 142 -22.607 8.692 14.414 1.00 61.35 H new ATOM 0 HD13 LEU A 142 -23.413 9.726 13.210 1.00 61.35 H new ATOM 0 HD21 LEU A 142 -23.753 7.527 11.098 1.00 64.21 H new ATOM 0 HD22 LEU A 142 -23.152 9.162 10.734 1.00 64.21 H new ATOM 0 HD23 LEU A 142 -22.188 7.737 10.278 1.00 64.21 H new ATOM 2247 N GLU A 143 -18.457 7.344 13.329 1.00 64.04 N ATOM 2248 CA GLU A 143 -17.810 6.067 13.666 1.00 2.43 C ATOM 2249 C GLU A 143 -17.316 6.109 15.104 1.00 33.41 C ATOM 2250 O GLU A 143 -17.546 5.197 15.874 1.00 72.24 O ATOM 2251 CB GLU A 143 -16.598 5.801 12.746 1.00 32.41 C ATOM 2252 CG GLU A 143 -16.903 5.701 11.257 1.00 51.23 C ATOM 2253 CD GLU A 143 -17.802 4.551 10.908 1.00 73.41 C ATOM 2254 OE1 GLU A 143 -19.040 4.722 10.913 1.00 53.52 O ATOM 2255 OE2 GLU A 143 -17.292 3.459 10.617 1.00 61.12 O ATOM 0 H GLU A 143 -18.021 7.834 12.547 1.00 64.04 H new ATOM 0 HA GLU A 143 -18.545 5.273 13.534 1.00 2.43 H new ATOM 0 HB2 GLU A 143 -15.871 6.599 12.895 1.00 32.41 H new ATOM 0 HB3 GLU A 143 -16.122 4.873 13.063 1.00 32.41 H new ATOM 0 HG2 GLU A 143 -17.368 6.629 10.926 1.00 51.23 H new ATOM 0 HG3 GLU A 143 -15.967 5.600 10.708 1.00 51.23 H new ATOM 2262 N TRP A 144 -16.658 7.196 15.440 1.00 2.31 N ATOM 2263 CA TRP A 144 -16.084 7.412 16.754 1.00 74.33 C ATOM 2264 C TRP A 144 -17.161 7.504 17.845 1.00 51.54 C ATOM 2265 O TRP A 144 -16.965 7.025 18.965 1.00 61.32 O ATOM 2266 CB TRP A 144 -15.220 8.688 16.714 1.00 31.22 C ATOM 2267 CG TRP A 144 -14.620 9.090 18.020 1.00 22.44 C ATOM 2268 CD1 TRP A 144 -13.561 8.515 18.646 1.00 44.04 C ATOM 2269 CD2 TRP A 144 -15.037 10.181 18.849 1.00 63.10 C ATOM 2270 NE1 TRP A 144 -13.303 9.164 19.823 1.00 43.14 N ATOM 2271 CE2 TRP A 144 -14.194 10.196 19.970 1.00 61.33 C ATOM 2272 CE3 TRP A 144 -16.051 11.142 18.753 1.00 31.15 C ATOM 2273 CZ2 TRP A 144 -14.327 11.134 20.988 1.00 34.41 C ATOM 2274 CZ3 TRP A 144 -16.181 12.075 19.760 1.00 12.02 C ATOM 2275 CH2 TRP A 144 -15.323 12.064 20.866 1.00 2.42 C ATOM 0 H TRP A 144 -16.503 7.972 14.796 1.00 2.31 H new ATOM 0 HA TRP A 144 -15.461 6.555 17.011 1.00 74.33 H new ATOM 0 HB2 TRP A 144 -14.416 8.541 15.993 1.00 31.22 H new ATOM 0 HB3 TRP A 144 -15.832 9.511 16.345 1.00 31.22 H new ATOM 0 HD1 TRP A 144 -13.004 7.669 18.270 1.00 44.04 H new ATOM 0 HE1 TRP A 144 -12.566 8.919 20.485 1.00 43.14 H new ATOM 0 HE3 TRP A 144 -16.720 11.152 17.905 1.00 31.15 H new ATOM 0 HZ2 TRP A 144 -13.668 11.129 21.844 1.00 34.41 H new ATOM 0 HZ3 TRP A 144 -16.956 12.825 19.694 1.00 12.02 H new ATOM 0 HH2 TRP A 144 -15.450 12.806 21.640 1.00 2.42 H new ATOM 2286 N ASN A 145 -18.283 8.103 17.518 1.00 34.20 N ATOM 2287 CA ASN A 145 -19.351 8.278 18.495 1.00 43.01 C ATOM 2288 C ASN A 145 -20.204 7.015 18.623 1.00 21.11 C ATOM 2289 O ASN A 145 -20.613 6.631 19.727 1.00 70.21 O ATOM 2290 CB ASN A 145 -20.227 9.488 18.135 1.00 60.22 C ATOM 2291 CG ASN A 145 -21.327 9.758 19.155 1.00 31.22 C ATOM 2292 OD1 ASN A 145 -21.185 9.466 20.341 1.00 75.42 O ATOM 2293 ND2 ASN A 145 -22.409 10.326 18.711 1.00 1.14 N ATOM 0 H ASN A 145 -18.486 8.478 16.591 1.00 34.20 H new ATOM 0 HA ASN A 145 -18.885 8.465 19.463 1.00 43.01 H new ATOM 0 HB2 ASN A 145 -19.596 10.372 18.048 1.00 60.22 H new ATOM 0 HB3 ASN A 145 -20.680 9.323 17.157 1.00 60.22 H new ATOM 0 HD21 ASN A 145 -23.172 10.542 19.353 1.00 1.14 H new ATOM 0 HD22 ASN A 145 -22.495 10.555 17.721 1.00 1.14 H new ATOM 2300 N LYS A 146 -20.456 6.357 17.509 1.00 62.34 N ATOM 2301 CA LYS A 146 -21.279 5.165 17.515 1.00 3.45 C ATOM 2302 C LYS A 146 -20.467 3.955 17.984 1.00 65.55 C ATOM 2303 O LYS A 146 -21.000 3.056 18.646 1.00 64.33 O ATOM 2304 CB LYS A 146 -21.882 4.924 16.118 1.00 43.13 C ATOM 2305 CG LYS A 146 -22.826 3.731 16.020 1.00 5.41 C ATOM 2306 CD LYS A 146 -23.389 3.597 14.611 1.00 25.20 C ATOM 2307 CE LYS A 146 -24.329 2.406 14.479 1.00 34.52 C ATOM 2308 NZ LYS A 146 -25.515 2.513 15.370 1.00 33.31 N ATOM 0 H LYS A 146 -20.104 6.627 16.591 1.00 62.34 H new ATOM 0 HA LYS A 146 -22.100 5.309 18.217 1.00 3.45 H new ATOM 0 HB2 LYS A 146 -22.421 5.821 15.812 1.00 43.13 H new ATOM 0 HB3 LYS A 146 -21.068 4.783 15.407 1.00 43.13 H new ATOM 0 HG2 LYS A 146 -22.295 2.819 16.292 1.00 5.41 H new ATOM 0 HG3 LYS A 146 -23.643 3.849 16.732 1.00 5.41 H new ATOM 0 HD2 LYS A 146 -23.922 4.510 14.346 1.00 25.20 H new ATOM 0 HD3 LYS A 146 -22.568 3.490 13.902 1.00 25.20 H new ATOM 0 HE2 LYS A 146 -24.662 2.324 13.445 1.00 34.52 H new ATOM 0 HE3 LYS A 146 -23.785 1.491 14.712 1.00 34.52 H new ATOM 0 HZ1 LYS A 146 -26.195 1.762 15.135 1.00 33.31 H new ATOM 0 HZ2 LYS A 146 -25.215 2.411 16.361 1.00 33.31 H new ATOM 0 HZ3 LYS A 146 -25.965 3.441 15.238 1.00 33.31 H new ATOM 2322 N ASN A 147 -19.184 3.955 17.693 1.00 12.35 N ATOM 2323 CA ASN A 147 -18.310 2.869 18.109 1.00 54.44 C ATOM 2324 C ASN A 147 -17.131 3.418 18.912 1.00 33.24 C ATOM 2325 O ASN A 147 -16.052 3.664 18.365 1.00 11.20 O ATOM 2326 CB ASN A 147 -17.797 2.044 16.907 1.00 41.14 C ATOM 2327 CG ASN A 147 -18.907 1.417 16.085 1.00 52.34 C ATOM 2328 OD1 ASN A 147 -19.406 2.018 15.131 1.00 51.13 O ATOM 2329 ND2 ASN A 147 -19.294 0.211 16.429 1.00 43.31 N ATOM 0 H ASN A 147 -18.718 4.695 17.169 1.00 12.35 H new ATOM 0 HA ASN A 147 -18.897 2.200 18.738 1.00 54.44 H new ATOM 0 HB2 ASN A 147 -17.199 2.689 16.263 1.00 41.14 H new ATOM 0 HB3 ASN A 147 -17.137 1.257 17.272 1.00 41.14 H new ATOM 0 HD21 ASN A 147 -20.030 -0.258 15.901 1.00 43.31 H new ATOM 0 HD22 ASN A 147 -18.859 -0.257 17.224 1.00 43.31 H new ATOM 2336 N PRO A 148 -17.328 3.660 20.223 1.00 53.05 N ATOM 2337 CA PRO A 148 -16.292 4.225 21.090 1.00 74.33 C ATOM 2338 C PRO A 148 -15.185 3.226 21.406 1.00 41.44 C ATOM 2339 O PRO A 148 -14.069 3.605 21.721 1.00 23.20 O ATOM 2340 CB PRO A 148 -17.051 4.594 22.376 1.00 71.53 C ATOM 2341 CG PRO A 148 -18.495 4.487 22.021 1.00 41.34 C ATOM 2342 CD PRO A 148 -18.572 3.434 20.965 1.00 30.15 C ATOM 0 HA PRO A 148 -15.792 5.069 20.615 1.00 74.33 H new ATOM 0 HB2 PRO A 148 -16.795 3.918 23.192 1.00 71.53 H new ATOM 0 HB3 PRO A 148 -16.800 5.602 22.706 1.00 71.53 H new ATOM 0 HG2 PRO A 148 -19.093 4.215 22.890 1.00 41.34 H new ATOM 0 HG3 PRO A 148 -18.880 5.439 21.655 1.00 41.34 H new ATOM 0 HD2 PRO A 148 -18.618 2.431 21.390 1.00 30.15 H new ATOM 0 HD3 PRO A 148 -19.452 3.553 20.333 1.00 30.15 H new ATOM 2350 N ASN A 149 -15.495 1.957 21.322 1.00 75.43 N ATOM 2351 CA ASN A 149 -14.514 0.929 21.622 1.00 50.11 C ATOM 2352 C ASN A 149 -13.870 0.430 20.330 1.00 74.44 C ATOM 2353 O ASN A 149 -12.799 -0.182 20.341 1.00 34.34 O ATOM 2354 CB ASN A 149 -15.166 -0.217 22.428 1.00 23.10 C ATOM 2355 CG ASN A 149 -14.184 -1.290 22.886 1.00 5.52 C ATOM 2356 OD1 ASN A 149 -13.558 -1.162 23.946 1.00 31.14 O ATOM 2357 ND2 ASN A 149 -14.094 -2.369 22.151 1.00 10.13 N ATOM 0 H ASN A 149 -16.413 1.606 21.050 1.00 75.43 H new ATOM 0 HA ASN A 149 -13.724 1.351 22.243 1.00 50.11 H new ATOM 0 HB2 ASN A 149 -15.662 0.204 23.302 1.00 23.10 H new ATOM 0 HB3 ASN A 149 -15.939 -0.683 21.817 1.00 23.10 H new ATOM 0 HD21 ASN A 149 -13.493 -3.139 22.446 1.00 10.13 H new ATOM 0 HD22 ASN A 149 -14.625 -2.440 21.283 1.00 10.13 H new ATOM 2364 N GLY A 150 -14.513 0.743 19.218 1.00 42.12 N ATOM 2365 CA GLY A 150 -14.038 0.311 17.923 1.00 43.30 C ATOM 2366 C GLY A 150 -13.056 1.272 17.293 1.00 31.00 C ATOM 2367 O GLY A 150 -12.528 1.002 16.215 1.00 74.35 O ATOM 0 H GLY A 150 -15.369 1.297 19.191 1.00 42.12 H new ATOM 0 HA2 GLY A 150 -13.565 -0.666 18.025 1.00 43.30 H new ATOM 0 HA3 GLY A 150 -14.890 0.184 17.255 1.00 43.30 H new