USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=31 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 42 HIS : no HE2:sc= -1.02 K(o=-0.35,f=-2.1) USER MOD Set 1.2: A 44 TYR OH : rot 12:sc= 0.668 USER MOD Single : A 8 SER OG : rot -24:sc= 0.087 USER MOD Single : A 9 HIS : no HD1:sc= -2.53! K(o=-2.5!,f=0.086) USER MOD Single : A 10 ASN : amide:sc= -0.605 K(o=-0.6,f=-4.2!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -60:sc= 1.29 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00396 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0213 K(o=-0.021,f=-5!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 139:sc= 0.0848 (180deg=-0.167) 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= -0.477 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0618) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -121:sc= 1.14 (180deg=-0.123) USER MOD Single : A 68 THR OG1 : rot -49:sc= 0.539 USER MOD Single : A 71 SER OG : rot 108:sc= 0.511 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 77 ASN : amide:sc= -2.98! K(o=-3!,f=-0.63) USER MOD Single : A 84 ASN : amide:sc=-0.00333 X(o=-0.0033,f=0) USER MOD Single : A 86 TYR OH : rot -130:sc= -1.74! 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= -0.323 K(o=-0.32,f=0.4) USER MOD Single : A 99 SER OG : rot -28:sc= 0.723 USER MOD Single : A 101 LYS NZ :NH3+ -144:sc= -2.62! (180deg=-4.02!) USER MOD Single : A 103 LYS NZ :NH3+ 161:sc= -0.092 (180deg=-0.424) USER MOD Single : A 106 THR OG1 : rot 76:sc= 1.12 USER MOD Single : A 107 TYR OH : rot -155:sc= 1.3 USER MOD Single : A 111 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.69) USER MOD Single : A 112 LYS NZ :NH3+ 172:sc= 1.24 (180deg=0.827) USER MOD Single : A 117 MET CE :methyl -144:sc= -0.0142 (180deg=-1.37) USER MOD Single : A 130 HIS : no HE2:sc= -1.51 X(o=-1.5,f=-1.2) USER MOD Single : A 133 LYS NZ :NH3+ 160:sc= -0.083 (180deg=-0.436) USER MOD Single : A 137 THR OG1 : rot 73:sc= -0.0352 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl 152:sc= -1.97 (180deg=-3.48!) USER MOD Single : A 145 ASN : amide:sc=-0.000304 K(o=-0.0003,f=-0.68) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.4) USER MOD ----------------------------------------------------------------- ATOM 93 N SER A 8 7.813 -13.293 4.241 1.00 61.54 N ATOM 94 CA SER A 8 8.589 -12.626 3.272 1.00 21.31 C ATOM 95 C SER A 8 7.999 -11.248 3.112 1.00 2.33 C ATOM 96 O SER A 8 6.773 -11.091 2.988 1.00 31.32 O ATOM 97 CB SER A 8 8.620 -13.411 1.952 1.00 33.20 C ATOM 98 OG SER A 8 7.310 -13.669 1.467 1.00 34.42 O ATOM 0 HA SER A 8 9.630 -12.547 3.586 1.00 21.31 H new ATOM 0 HB2 SER A 8 9.181 -12.848 1.206 1.00 33.20 H new ATOM 0 HB3 SER A 8 9.146 -14.354 2.101 1.00 33.20 H new ATOM 0 HG SER A 8 6.676 -13.657 2.214 1.00 34.42 H new ATOM 104 N HIS A 9 8.828 -10.266 3.169 1.00 44.22 N ATOM 105 CA HIS A 9 8.375 -8.910 3.117 1.00 25.35 C ATOM 106 C HIS A 9 8.329 -8.396 1.717 1.00 21.23 C ATOM 107 O HIS A 9 9.184 -8.732 0.882 1.00 53.11 O ATOM 108 CB HIS A 9 9.226 -8.005 4.004 1.00 22.41 C ATOM 109 CG HIS A 9 9.073 -8.276 5.465 1.00 0.42 C ATOM 110 ND1 HIS A 9 9.849 -9.170 6.164 1.00 71.32 N ATOM 111 CD2 HIS A 9 8.226 -7.752 6.359 1.00 13.14 C ATOM 112 CE1 HIS A 9 9.480 -9.167 7.421 1.00 22.22 C ATOM 113 NE2 HIS A 9 8.498 -8.315 7.565 1.00 42.01 N ATOM 0 H HIS A 9 9.839 -10.374 3.253 1.00 44.22 H new ATOM 0 HA HIS A 9 7.356 -8.897 3.505 1.00 25.35 H new ATOM 0 HB2 HIS A 9 10.274 -8.125 3.730 1.00 22.41 H new ATOM 0 HB3 HIS A 9 8.961 -6.966 3.807 1.00 22.41 H new ATOM 0 HD2 HIS A 9 7.463 -7.014 6.158 1.00 13.14 H new ATOM 0 HE1 HIS A 9 9.914 -9.767 8.207 1.00 22.22 H new ATOM 0 HE2 HIS A 9 8.016 -8.107 8.439 1.00 42.01 H new ATOM 122 N ASN A 10 7.336 -7.595 1.466 1.00 31.43 N ATOM 123 CA ASN A 10 7.114 -6.991 0.171 1.00 3.35 C ATOM 124 C ASN A 10 6.956 -5.509 0.385 1.00 74.24 C ATOM 125 O ASN A 10 6.079 -5.075 1.148 1.00 44.20 O ATOM 126 CB ASN A 10 5.839 -7.547 -0.488 1.00 43.05 C ATOM 127 CG ASN A 10 5.869 -9.049 -0.743 1.00 33.54 C ATOM 128 OD1 ASN A 10 6.917 -9.641 -0.995 1.00 13.11 O ATOM 129 ND2 ASN A 10 4.715 -9.673 -0.670 1.00 32.13 N ATOM 0 H ASN A 10 6.640 -7.334 2.164 1.00 31.43 H new ATOM 0 HA ASN A 10 7.955 -7.212 -0.486 1.00 3.35 H new ATOM 0 HB2 ASN A 10 4.985 -7.315 0.148 1.00 43.05 H new ATOM 0 HB3 ASN A 10 5.680 -7.032 -1.436 1.00 43.05 H new ATOM 0 HD21 ASN A 10 4.669 -10.680 -0.825 1.00 32.13 H new ATOM 0 HD22 ASN A 10 3.865 -9.150 -0.459 1.00 32.13 H new ATOM 136 N VAL A 11 7.783 -4.735 -0.254 1.00 65.33 N ATOM 137 CA VAL A 11 7.776 -3.300 -0.047 1.00 3.31 C ATOM 138 C VAL A 11 7.390 -2.576 -1.331 1.00 22.44 C ATOM 139 O VAL A 11 8.048 -2.739 -2.353 1.00 60.23 O ATOM 140 CB VAL A 11 9.183 -2.794 0.399 1.00 1.51 C ATOM 141 CG1 VAL A 11 9.146 -1.324 0.794 1.00 10.35 C ATOM 142 CG2 VAL A 11 9.750 -3.641 1.526 1.00 71.33 C ATOM 0 H VAL A 11 8.476 -5.065 -0.926 1.00 65.33 H new ATOM 0 HA VAL A 11 7.046 -3.087 0.734 1.00 3.31 H new ATOM 0 HB VAL A 11 9.847 -2.895 -0.460 1.00 1.51 H new ATOM 0 HG11 VAL A 11 10.142 -1.004 1.099 1.00 10.35 H new ATOM 0 HG12 VAL A 11 8.818 -0.727 -0.057 1.00 10.35 H new ATOM 0 HG13 VAL A 11 8.451 -1.187 1.623 1.00 10.35 H new ATOM 0 HG21 VAL A 11 10.730 -3.259 1.810 1.00 71.33 H new ATOM 0 HG22 VAL A 11 9.081 -3.598 2.385 1.00 71.33 H new ATOM 0 HG23 VAL A 11 9.846 -4.674 1.192 1.00 71.33 H new ATOM 152 N PHE A 12 6.326 -1.799 -1.282 1.00 23.44 N ATOM 153 CA PHE A 12 5.930 -0.972 -2.408 1.00 51.12 C ATOM 154 C PHE A 12 6.764 0.276 -2.382 1.00 51.42 C ATOM 155 O PHE A 12 6.636 1.100 -1.460 1.00 50.23 O ATOM 156 CB PHE A 12 4.426 -0.599 -2.350 1.00 74.10 C ATOM 157 CG PHE A 12 3.968 0.327 -3.471 1.00 53.40 C ATOM 158 CD1 PHE A 12 3.492 -0.181 -4.673 1.00 63.00 C ATOM 159 CD2 PHE A 12 4.029 1.707 -3.318 1.00 2.33 C ATOM 160 CE1 PHE A 12 3.093 0.666 -5.685 1.00 23.13 C ATOM 161 CE2 PHE A 12 3.630 2.551 -4.328 1.00 43.35 C ATOM 162 CZ PHE A 12 3.163 2.030 -5.511 1.00 41.14 C ATOM 0 H PHE A 12 5.715 -1.722 -0.469 1.00 23.44 H new ATOM 0 HA PHE A 12 6.087 -1.530 -3.331 1.00 51.12 H new ATOM 0 HB2 PHE A 12 3.835 -1.514 -2.385 1.00 74.10 H new ATOM 0 HB3 PHE A 12 4.218 -0.122 -1.392 1.00 74.10 H new ATOM 0 HD1 PHE A 12 3.434 -1.250 -4.816 1.00 63.00 H new ATOM 0 HD2 PHE A 12 4.396 2.123 -2.391 1.00 2.33 H new ATOM 0 HE1 PHE A 12 2.725 0.259 -6.615 1.00 23.13 H new ATOM 0 HE2 PHE A 12 3.684 3.621 -4.192 1.00 43.35 H new ATOM 0 HZ PHE A 12 2.850 2.692 -6.305 1.00 41.14 H new ATOM 172 N VAL A 13 7.622 0.419 -3.347 1.00 34.03 N ATOM 173 CA VAL A 13 8.479 1.563 -3.397 1.00 75.24 C ATOM 174 C VAL A 13 8.175 2.463 -4.578 1.00 34.10 C ATOM 175 O VAL A 13 7.848 1.996 -5.686 1.00 72.10 O ATOM 176 CB VAL A 13 9.976 1.170 -3.404 1.00 42.25 C ATOM 177 CG1 VAL A 13 10.361 0.535 -2.085 1.00 72.24 C ATOM 178 CG2 VAL A 13 10.269 0.211 -4.548 1.00 31.32 C ATOM 0 H VAL A 13 7.747 -0.244 -4.112 1.00 34.03 H new ATOM 0 HA VAL A 13 8.275 2.123 -2.485 1.00 75.24 H new ATOM 0 HB VAL A 13 10.567 2.075 -3.545 1.00 42.25 H new ATOM 0 HG11 VAL A 13 11.417 0.264 -2.106 1.00 72.24 H new ATOM 0 HG12 VAL A 13 10.184 1.243 -1.275 1.00 72.24 H new ATOM 0 HG13 VAL A 13 9.760 -0.360 -1.923 1.00 72.24 H new ATOM 0 HG21 VAL A 13 11.326 -0.055 -4.538 1.00 31.32 H new ATOM 0 HG22 VAL A 13 9.667 -0.690 -4.431 1.00 31.32 H new ATOM 0 HG23 VAL A 13 10.024 0.690 -5.496 1.00 31.32 H new ATOM 188 N TYR A 14 8.243 3.738 -4.326 1.00 62.04 N ATOM 189 CA TYR A 14 8.108 4.741 -5.337 1.00 75.53 C ATOM 190 C TYR A 14 9.246 5.724 -5.160 1.00 15.34 C ATOM 191 O TYR A 14 9.422 6.297 -4.078 1.00 21.15 O ATOM 192 CB TYR A 14 6.748 5.460 -5.240 1.00 75.11 C ATOM 193 CG TYR A 14 6.523 6.512 -6.322 1.00 22.21 C ATOM 194 CD1 TYR A 14 6.020 6.157 -7.569 1.00 31.33 C ATOM 195 CD2 TYR A 14 6.817 7.855 -6.096 1.00 25.54 C ATOM 196 CE1 TYR A 14 5.819 7.106 -8.559 1.00 40.54 C ATOM 197 CE2 TYR A 14 6.616 8.805 -7.079 1.00 70.20 C ATOM 198 CZ TYR A 14 6.116 8.427 -8.307 1.00 4.23 C ATOM 199 OH TYR A 14 5.912 9.380 -9.288 1.00 42.32 O ATOM 0 H TYR A 14 8.397 4.115 -3.391 1.00 62.04 H new ATOM 0 HA TYR A 14 8.148 4.280 -6.324 1.00 75.53 H new ATOM 0 HB2 TYR A 14 5.952 4.718 -5.298 1.00 75.11 H new ATOM 0 HB3 TYR A 14 6.669 5.936 -4.263 1.00 75.11 H new ATOM 0 HD1 TYR A 14 5.782 5.123 -7.770 1.00 31.33 H new ATOM 0 HD2 TYR A 14 7.209 8.159 -5.136 1.00 25.54 H new ATOM 0 HE1 TYR A 14 5.432 6.811 -9.523 1.00 40.54 H new ATOM 0 HE2 TYR A 14 6.850 9.841 -6.886 1.00 70.20 H new ATOM 0 HH TYR A 14 6.171 10.261 -8.947 1.00 42.32 H new ATOM 209 N GLY A 15 10.037 5.885 -6.182 1.00 72.44 N ATOM 210 CA GLY A 15 11.159 6.785 -6.114 1.00 64.50 C ATOM 211 C GLY A 15 12.389 6.093 -5.586 1.00 61.11 C ATOM 212 O GLY A 15 13.415 6.037 -6.265 1.00 14.23 O ATOM 0 H GLY A 15 9.928 5.405 -7.075 1.00 72.44 H new ATOM 0 HA2 GLY A 15 11.364 7.188 -7.106 1.00 64.50 H new ATOM 0 HA3 GLY A 15 10.911 7.630 -5.471 1.00 64.50 H new ATOM 216 N SER A 16 12.279 5.566 -4.390 1.00 41.12 N ATOM 217 CA SER A 16 13.348 4.839 -3.766 1.00 12.24 C ATOM 218 C SER A 16 13.426 3.422 -4.346 1.00 54.10 C ATOM 219 O SER A 16 12.399 2.836 -4.721 1.00 73.13 O ATOM 220 CB SER A 16 13.129 4.799 -2.250 1.00 32.01 C ATOM 221 OG SER A 16 13.072 6.125 -1.716 1.00 12.34 O ATOM 0 H SER A 16 11.435 5.633 -3.821 1.00 41.12 H new ATOM 0 HA SER A 16 14.295 5.341 -3.966 1.00 12.24 H new ATOM 0 HB2 SER A 16 12.203 4.270 -2.024 1.00 32.01 H new ATOM 0 HB3 SER A 16 13.938 4.244 -1.775 1.00 32.01 H new ATOM 0 HG SER A 16 13.917 6.587 -1.896 1.00 12.34 H new ATOM 227 N ILE A 17 14.645 2.908 -4.443 1.00 32.41 N ATOM 228 CA ILE A 17 14.948 1.609 -4.983 1.00 43.43 C ATOM 229 C ILE A 17 14.706 1.640 -6.490 1.00 61.44 C ATOM 230 O ILE A 17 15.469 2.284 -7.205 1.00 41.11 O ATOM 231 CB ILE A 17 14.146 0.442 -4.336 1.00 71.32 C ATOM 232 CG1 ILE A 17 14.274 0.443 -2.800 1.00 54.04 C ATOM 233 CG2 ILE A 17 14.673 -0.895 -4.888 1.00 23.42 C ATOM 234 CD1 ILE A 17 15.566 -0.089 -2.285 1.00 22.11 C ATOM 0 H ILE A 17 15.476 3.412 -4.133 1.00 32.41 H new ATOM 0 HA ILE A 17 15.993 1.404 -4.751 1.00 43.43 H new ATOM 0 HB ILE A 17 13.093 0.574 -4.585 1.00 71.32 H new ATOM 0 HG12 ILE A 17 14.147 1.463 -2.439 1.00 54.04 H new ATOM 0 HG13 ILE A 17 13.460 -0.148 -2.380 1.00 54.04 H new ATOM 0 HG21 ILE A 17 14.117 -1.718 -4.440 1.00 23.42 H new ATOM 0 HG22 ILE A 17 14.545 -0.917 -5.970 1.00 23.42 H new ATOM 0 HG23 ILE A 17 15.731 -0.997 -4.645 1.00 23.42 H new ATOM 0 HD11 ILE A 17 15.567 -0.050 -1.196 1.00 22.11 H new ATOM 0 HD12 ILE A 17 15.690 -1.122 -2.611 1.00 22.11 H new ATOM 0 HD13 ILE A 17 16.388 0.515 -2.670 1.00 22.11 H new ATOM 246 N LEU A 18 13.571 1.029 -6.933 1.00 53.15 N ATOM 247 CA LEU A 18 13.113 0.873 -8.339 1.00 64.33 C ATOM 248 C LEU A 18 14.137 0.336 -9.354 1.00 31.33 C ATOM 249 O LEU A 18 13.776 -0.421 -10.253 1.00 2.12 O ATOM 250 CB LEU A 18 12.367 2.094 -8.846 1.00 34.24 C ATOM 251 CG LEU A 18 11.081 2.422 -8.083 1.00 1.22 C ATOM 252 CD1 LEU A 18 10.378 3.604 -8.710 1.00 3.12 C ATOM 253 CD2 LEU A 18 10.151 1.203 -8.017 1.00 35.41 C ATOM 0 H LEU A 18 12.914 0.608 -6.276 1.00 53.15 H new ATOM 0 HA LEU A 18 12.403 0.049 -8.268 1.00 64.33 H new ATOM 0 HB2 LEU A 18 13.032 2.956 -8.796 1.00 34.24 H new ATOM 0 HB3 LEU A 18 12.121 1.942 -9.897 1.00 34.24 H new ATOM 0 HG LEU A 18 11.352 2.688 -7.061 1.00 1.22 H new ATOM 0 HD11 LEU A 18 9.466 3.822 -8.154 1.00 3.12 H new ATOM 0 HD12 LEU A 18 11.035 4.473 -8.685 1.00 3.12 H new ATOM 0 HD13 LEU A 18 10.125 3.370 -9.744 1.00 3.12 H new ATOM 0 HD21 LEU A 18 9.246 1.465 -7.469 1.00 35.41 H new ATOM 0 HD22 LEU A 18 9.887 0.892 -9.028 1.00 35.41 H new ATOM 0 HD23 LEU A 18 10.659 0.385 -7.507 1.00 35.41 H new ATOM 265 N GLU A 19 15.359 0.711 -9.208 1.00 42.54 N ATOM 266 CA GLU A 19 16.407 0.290 -10.075 1.00 4.02 C ATOM 267 C GLU A 19 17.092 -0.930 -9.483 1.00 24.11 C ATOM 268 O GLU A 19 17.415 -0.940 -8.282 1.00 42.24 O ATOM 269 CB GLU A 19 17.402 1.426 -10.250 1.00 44.43 C ATOM 270 CG GLU A 19 16.782 2.672 -10.845 1.00 61.32 C ATOM 271 CD GLU A 19 17.759 3.795 -10.960 1.00 63.13 C ATOM 272 OE1 GLU A 19 18.437 3.901 -12.004 1.00 33.21 O ATOM 273 OE2 GLU A 19 17.857 4.599 -10.012 1.00 72.22 O ATOM 0 H GLU A 19 15.667 1.336 -8.463 1.00 42.54 H new ATOM 0 HA GLU A 19 15.999 0.025 -11.051 1.00 4.02 H new ATOM 0 HB2 GLU A 19 17.838 1.671 -9.282 1.00 44.43 H new ATOM 0 HB3 GLU A 19 18.217 1.091 -10.891 1.00 44.43 H new ATOM 0 HG2 GLU A 19 16.382 2.440 -11.832 1.00 61.32 H new ATOM 0 HG3 GLU A 19 15.942 2.987 -10.227 1.00 61.32 H new ATOM 280 N PRO A 20 17.299 -1.977 -10.307 1.00 21.31 N ATOM 281 CA PRO A 20 17.956 -3.232 -9.894 1.00 23.14 C ATOM 282 C PRO A 20 19.255 -3.014 -9.112 1.00 3.13 C ATOM 283 O PRO A 20 19.509 -3.702 -8.134 1.00 1.01 O ATOM 284 CB PRO A 20 18.249 -3.923 -11.222 1.00 1.41 C ATOM 285 CG PRO A 20 17.170 -3.455 -12.131 1.00 1.52 C ATOM 286 CD PRO A 20 16.872 -2.038 -11.727 1.00 61.43 C ATOM 0 HA PRO A 20 17.325 -3.805 -9.215 1.00 23.14 H new ATOM 0 HB2 PRO A 20 19.234 -3.651 -11.602 1.00 1.41 H new ATOM 0 HB3 PRO A 20 18.236 -5.008 -11.116 1.00 1.41 H new ATOM 0 HG2 PRO A 20 17.488 -3.505 -13.172 1.00 1.52 H new ATOM 0 HG3 PRO A 20 16.283 -4.082 -12.038 1.00 1.52 H new ATOM 0 HD2 PRO A 20 17.421 -1.323 -12.341 1.00 61.43 H new ATOM 0 HD3 PRO A 20 15.813 -1.805 -11.837 1.00 61.43 H new ATOM 294 N ALA A 21 20.059 -2.041 -9.535 1.00 44.13 N ATOM 295 CA ALA A 21 21.319 -1.740 -8.859 1.00 35.35 C ATOM 296 C ALA A 21 21.077 -1.342 -7.402 1.00 71.42 C ATOM 297 O ALA A 21 21.699 -1.875 -6.491 1.00 23.34 O ATOM 298 CB ALA A 21 22.073 -0.643 -9.597 1.00 3.21 C ATOM 0 H ALA A 21 19.861 -1.448 -10.341 1.00 44.13 H new ATOM 0 HA ALA A 21 21.930 -2.642 -8.865 1.00 35.35 H new ATOM 0 HB1 ALA A 21 23.009 -0.433 -9.079 1.00 3.21 H new ATOM 0 HB2 ALA A 21 22.287 -0.970 -10.614 1.00 3.21 H new ATOM 0 HB3 ALA A 21 21.464 0.260 -9.627 1.00 3.21 H new ATOM 304 N VAL A 22 20.131 -0.443 -7.196 1.00 11.52 N ATOM 305 CA VAL A 22 19.797 0.047 -5.865 1.00 4.41 C ATOM 306 C VAL A 22 19.209 -1.081 -5.013 1.00 23.22 C ATOM 307 O VAL A 22 19.509 -1.212 -3.830 1.00 4.44 O ATOM 308 CB VAL A 22 18.787 1.215 -5.927 1.00 2.23 C ATOM 309 CG1 VAL A 22 18.483 1.736 -4.531 1.00 0.30 C ATOM 310 CG2 VAL A 22 19.314 2.330 -6.812 1.00 11.41 C ATOM 0 H VAL A 22 19.572 -0.031 -7.943 1.00 11.52 H new ATOM 0 HA VAL A 22 20.720 0.409 -5.412 1.00 4.41 H new ATOM 0 HB VAL A 22 17.859 0.843 -6.362 1.00 2.23 H new ATOM 0 HG11 VAL A 22 17.770 2.558 -4.597 1.00 0.30 H new ATOM 0 HG12 VAL A 22 18.058 0.934 -3.928 1.00 0.30 H new ATOM 0 HG13 VAL A 22 19.403 2.090 -4.066 1.00 0.30 H new ATOM 0 HG21 VAL A 22 18.589 3.143 -6.843 1.00 11.41 H new ATOM 0 HG22 VAL A 22 20.257 2.700 -6.409 1.00 11.41 H new ATOM 0 HG23 VAL A 22 19.475 1.949 -7.820 1.00 11.41 H new ATOM 320 N ALA A 23 18.395 -1.891 -5.628 1.00 42.12 N ATOM 321 CA ALA A 23 17.774 -3.009 -4.946 1.00 64.42 C ATOM 322 C ALA A 23 18.813 -4.050 -4.549 1.00 21.32 C ATOM 323 O ALA A 23 18.726 -4.663 -3.479 1.00 13.05 O ATOM 324 CB ALA A 23 16.721 -3.620 -5.831 1.00 33.24 C ATOM 0 H ALA A 23 18.139 -1.803 -6.611 1.00 42.12 H new ATOM 0 HA ALA A 23 17.304 -2.645 -4.033 1.00 64.42 H new ATOM 0 HB1 ALA A 23 16.256 -4.460 -5.316 1.00 33.24 H new ATOM 0 HB2 ALA A 23 15.963 -2.872 -6.064 1.00 33.24 H new ATOM 0 HB3 ALA A 23 17.181 -3.970 -6.755 1.00 33.24 H new ATOM 330 N ALA A 24 19.815 -4.213 -5.379 1.00 44.33 N ATOM 331 CA ALA A 24 20.844 -5.189 -5.120 1.00 31.22 C ATOM 332 C ALA A 24 21.800 -4.721 -4.040 1.00 54.44 C ATOM 333 O ALA A 24 22.406 -5.535 -3.340 1.00 34.15 O ATOM 334 CB ALA A 24 21.591 -5.565 -6.387 1.00 74.13 C ATOM 0 H ALA A 24 19.939 -3.681 -6.241 1.00 44.33 H new ATOM 0 HA ALA A 24 20.347 -6.087 -4.753 1.00 31.22 H new ATOM 0 HB1 ALA A 24 22.358 -6.302 -6.152 1.00 74.13 H new ATOM 0 HB2 ALA A 24 20.892 -5.986 -7.110 1.00 74.13 H new ATOM 0 HB3 ALA A 24 22.059 -4.677 -6.810 1.00 74.13 H new ATOM 340 N VAL A 25 21.933 -3.417 -3.887 1.00 44.40 N ATOM 341 CA VAL A 25 22.822 -2.885 -2.879 1.00 44.23 C ATOM 342 C VAL A 25 22.135 -2.787 -1.519 1.00 4.25 C ATOM 343 O VAL A 25 22.796 -2.780 -0.493 1.00 30.53 O ATOM 344 CB VAL A 25 23.461 -1.526 -3.271 1.00 74.24 C ATOM 345 CG1 VAL A 25 24.209 -1.640 -4.583 1.00 51.30 C ATOM 346 CG2 VAL A 25 22.443 -0.412 -3.329 1.00 62.34 C ATOM 0 H VAL A 25 21.442 -2.716 -4.442 1.00 44.40 H new ATOM 0 HA VAL A 25 23.640 -3.601 -2.805 1.00 44.23 H new ATOM 0 HB VAL A 25 24.173 -1.270 -2.487 1.00 74.24 H new ATOM 0 HG11 VAL A 25 24.648 -0.675 -4.837 1.00 51.30 H new ATOM 0 HG12 VAL A 25 24.999 -2.384 -4.488 1.00 51.30 H new ATOM 0 HG13 VAL A 25 23.519 -1.943 -5.370 1.00 51.30 H new ATOM 0 HG21 VAL A 25 22.938 0.519 -3.607 1.00 62.34 H new ATOM 0 HG22 VAL A 25 21.681 -0.654 -4.070 1.00 62.34 H new ATOM 0 HG23 VAL A 25 21.975 -0.296 -2.352 1.00 62.34 H new ATOM 356 N ILE A 26 20.809 -2.716 -1.509 1.00 72.03 N ATOM 357 CA ILE A 26 20.092 -2.672 -0.250 1.00 64.41 C ATOM 358 C ILE A 26 19.907 -4.075 0.326 1.00 51.15 C ATOM 359 O ILE A 26 20.071 -4.296 1.522 1.00 72.14 O ATOM 360 CB ILE A 26 18.723 -1.930 -0.337 1.00 74.24 C ATOM 361 CG1 ILE A 26 18.096 -1.896 1.046 1.00 4.33 C ATOM 362 CG2 ILE A 26 17.806 -2.613 -1.320 1.00 11.04 C ATOM 363 CD1 ILE A 26 17.141 -0.793 1.224 1.00 44.25 C ATOM 0 H ILE A 26 20.222 -2.688 -2.343 1.00 72.03 H new ATOM 0 HA ILE A 26 20.715 -2.087 0.427 1.00 64.41 H new ATOM 0 HB ILE A 26 18.884 -0.911 -0.690 1.00 74.24 H new ATOM 0 HG12 ILE A 26 17.586 -2.842 1.230 1.00 4.33 H new ATOM 0 HG13 ILE A 26 18.885 -1.809 1.793 1.00 4.33 H new ATOM 0 HG21 ILE A 26 16.857 -2.078 -1.364 1.00 11.04 H new ATOM 0 HG22 ILE A 26 18.268 -2.615 -2.307 1.00 11.04 H new ATOM 0 HG23 ILE A 26 17.629 -3.640 -1.000 1.00 11.04 H new ATOM 0 HD11 ILE A 26 16.730 -0.827 2.233 1.00 44.25 H new ATOM 0 HD12 ILE A 26 17.651 0.158 1.072 1.00 44.25 H new ATOM 0 HD13 ILE A 26 16.333 -0.891 0.500 1.00 44.25 H new ATOM 375 N LEU A 27 19.597 -5.020 -0.532 1.00 53.10 N ATOM 376 CA LEU A 27 19.396 -6.387 -0.105 1.00 71.13 C ATOM 377 C LEU A 27 20.701 -7.122 0.001 1.00 72.10 C ATOM 378 O LEU A 27 20.772 -8.172 0.655 1.00 65.32 O ATOM 379 CB LEU A 27 18.470 -7.121 -1.076 1.00 33.33 C ATOM 380 CG LEU A 27 17.017 -6.673 -1.113 1.00 40.35 C ATOM 381 CD1 LEU A 27 16.267 -7.468 -2.140 1.00 74.42 C ATOM 382 CD2 LEU A 27 16.375 -6.860 0.237 1.00 62.50 C ATOM 0 H LEU A 27 19.478 -4.867 -1.533 1.00 53.10 H new ATOM 0 HA LEU A 27 18.934 -6.359 0.882 1.00 71.13 H new ATOM 0 HB2 LEU A 27 18.882 -7.019 -2.080 1.00 33.33 H new ATOM 0 HB3 LEU A 27 18.492 -8.182 -0.829 1.00 33.33 H new ATOM 0 HG LEU A 27 16.985 -5.616 -1.376 1.00 40.35 H new ATOM 0 HD11 LEU A 27 15.227 -7.144 -2.163 1.00 74.42 H new ATOM 0 HD12 LEU A 27 16.717 -7.313 -3.120 1.00 74.42 H new ATOM 0 HD13 LEU A 27 16.311 -8.527 -1.884 1.00 74.42 H new ATOM 0 HD21 LEU A 27 15.336 -6.535 0.194 1.00 62.50 H new ATOM 0 HD22 LEU A 27 16.414 -7.913 0.516 1.00 62.50 H new ATOM 0 HD23 LEU A 27 16.910 -6.268 0.979 1.00 62.50 H new ATOM 394 N ASP A 28 21.741 -6.568 -0.652 1.00 54.43 N ATOM 395 CA ASP A 28 23.074 -7.203 -0.738 1.00 4.41 C ATOM 396 C ASP A 28 22.892 -8.510 -1.529 1.00 10.42 C ATOM 397 O ASP A 28 23.671 -9.458 -1.433 1.00 45.11 O ATOM 398 CB ASP A 28 23.651 -7.441 0.694 1.00 25.12 C ATOM 399 CG ASP A 28 25.090 -7.933 0.730 1.00 62.12 C ATOM 400 OD1 ASP A 28 26.015 -7.112 0.557 1.00 0.34 O ATOM 401 OD2 ASP A 28 25.319 -9.138 0.966 1.00 34.24 O ATOM 0 H ASP A 28 21.683 -5.671 -1.134 1.00 54.43 H new ATOM 0 HA ASP A 28 23.796 -6.567 -1.250 1.00 4.41 H new ATOM 0 HB2 ASP A 28 23.587 -6.509 1.256 1.00 25.12 H new ATOM 0 HB3 ASP A 28 23.021 -8.167 1.208 1.00 25.12 H new ATOM 406 N ARG A 29 21.848 -8.491 -2.365 1.00 13.44 N ATOM 407 CA ARG A 29 21.388 -9.624 -3.141 1.00 42.24 C ATOM 408 C ARG A 29 20.488 -9.064 -4.245 1.00 10.32 C ATOM 409 O ARG A 29 20.089 -7.908 -4.159 1.00 71.11 O ATOM 410 CB ARG A 29 20.563 -10.534 -2.208 1.00 31.44 C ATOM 411 CG ARG A 29 20.029 -11.813 -2.821 1.00 61.03 C ATOM 412 CD ARG A 29 19.145 -12.546 -1.833 1.00 32.20 C ATOM 413 NE ARG A 29 18.638 -13.807 -2.370 1.00 73.53 N ATOM 414 CZ ARG A 29 17.607 -14.493 -1.865 1.00 51.12 C ATOM 415 NH1 ARG A 29 16.909 -14.008 -0.838 1.00 44.43 N ATOM 416 NH2 ARG A 29 17.267 -15.652 -2.398 1.00 14.50 N ATOM 0 H ARG A 29 21.288 -7.652 -2.518 1.00 13.44 H new ATOM 0 HA ARG A 29 22.212 -10.195 -3.570 1.00 42.24 H new ATOM 0 HB2 ARG A 29 21.183 -10.798 -1.351 1.00 31.44 H new ATOM 0 HB3 ARG A 29 19.719 -9.959 -1.827 1.00 31.44 H new ATOM 0 HG2 ARG A 29 19.462 -11.582 -3.723 1.00 61.03 H new ATOM 0 HG3 ARG A 29 20.858 -12.454 -3.121 1.00 61.03 H new ATOM 0 HD2 ARG A 29 19.709 -12.743 -0.921 1.00 32.20 H new ATOM 0 HD3 ARG A 29 18.306 -11.908 -1.557 1.00 32.20 H new ATOM 0 HE ARG A 29 19.105 -14.193 -3.191 1.00 73.53 H new ATOM 0 HH11 ARG A 29 17.160 -13.107 -0.431 1.00 44.43 H new ATOM 0 HH12 ARG A 29 16.124 -14.538 -0.459 1.00 44.43 H new ATOM 0 HH21 ARG A 29 17.790 -16.021 -3.192 1.00 14.50 H new ATOM 0 HH22 ARG A 29 16.481 -16.178 -2.016 1.00 14.50 H new ATOM 430 N THR A 30 20.161 -9.861 -5.244 1.00 73.35 N ATOM 431 CA THR A 30 19.293 -9.421 -6.314 1.00 25.24 C ATOM 432 C THR A 30 17.842 -9.376 -5.839 1.00 74.11 C ATOM 433 O THR A 30 17.372 -10.289 -5.139 1.00 62.53 O ATOM 434 CB THR A 30 19.416 -10.354 -7.538 1.00 20.40 C ATOM 435 OG1 THR A 30 19.244 -11.728 -7.123 1.00 20.35 O ATOM 436 CG2 THR A 30 20.765 -10.184 -8.224 1.00 52.22 C ATOM 0 H THR A 30 20.487 -10.823 -5.335 1.00 73.35 H new ATOM 0 HA THR A 30 19.601 -8.418 -6.608 1.00 25.24 H new ATOM 0 HB THR A 30 18.637 -10.088 -8.252 1.00 20.40 H new ATOM 0 HG1 THR A 30 19.321 -12.317 -7.902 1.00 20.35 H new ATOM 0 HG21 THR A 30 20.824 -10.853 -9.082 1.00 52.22 H new ATOM 0 HG22 THR A 30 20.875 -9.153 -8.560 1.00 52.22 H new ATOM 0 HG23 THR A 30 21.563 -10.424 -7.522 1.00 52.22 H new ATOM 444 N ALA A 31 17.152 -8.319 -6.199 1.00 54.12 N ATOM 445 CA ALA A 31 15.794 -8.118 -5.775 1.00 15.14 C ATOM 446 C ALA A 31 14.815 -8.459 -6.851 1.00 11.54 C ATOM 447 O ALA A 31 15.056 -8.193 -8.041 1.00 54.00 O ATOM 448 CB ALA A 31 15.582 -6.694 -5.378 1.00 1.41 C ATOM 0 H ALA A 31 17.520 -7.577 -6.794 1.00 54.12 H new ATOM 0 HA ALA A 31 15.626 -8.781 -4.926 1.00 15.14 H new ATOM 0 HB1 ALA A 31 14.549 -6.555 -5.059 1.00 1.41 H new ATOM 0 HB2 ALA A 31 16.253 -6.442 -4.557 1.00 1.41 H new ATOM 0 HB3 ALA A 31 15.789 -6.044 -6.228 1.00 1.41 H new ATOM 454 N ASP A 32 13.730 -9.055 -6.458 1.00 24.13 N ATOM 455 CA ASP A 32 12.658 -9.316 -7.376 1.00 14.25 C ATOM 456 C ASP A 32 11.573 -8.265 -7.202 1.00 1.13 C ATOM 457 O ASP A 32 10.891 -8.222 -6.161 1.00 64.24 O ATOM 458 CB ASP A 32 12.074 -10.729 -7.198 1.00 63.21 C ATOM 459 CG ASP A 32 13.069 -11.840 -7.484 1.00 1.34 C ATOM 460 OD1 ASP A 32 13.244 -12.218 -8.668 1.00 31.12 O ATOM 461 OD2 ASP A 32 13.682 -12.366 -6.528 1.00 2.13 O ATOM 0 H ASP A 32 13.561 -9.372 -5.503 1.00 24.13 H new ATOM 0 HA ASP A 32 13.061 -9.264 -8.388 1.00 14.25 H new ATOM 0 HB2 ASP A 32 11.707 -10.835 -6.177 1.00 63.21 H new ATOM 0 HB3 ASP A 32 11.215 -10.844 -7.859 1.00 63.21 H new ATOM 466 N THR A 33 11.433 -7.408 -8.184 1.00 75.00 N ATOM 467 CA THR A 33 10.397 -6.394 -8.177 1.00 30.14 C ATOM 468 C THR A 33 9.427 -6.613 -9.305 1.00 11.13 C ATOM 469 O THR A 33 9.823 -6.996 -10.403 1.00 32.13 O ATOM 470 CB THR A 33 10.968 -4.963 -8.332 1.00 74.30 C ATOM 471 OG1 THR A 33 11.995 -4.920 -9.326 1.00 11.15 O ATOM 472 CG2 THR A 33 11.428 -4.351 -7.032 1.00 1.43 C ATOM 0 H THR A 33 12.031 -7.390 -9.010 1.00 75.00 H new ATOM 0 HA THR A 33 9.901 -6.483 -7.210 1.00 30.14 H new ATOM 0 HB THR A 33 10.138 -4.343 -8.670 1.00 74.30 H new ATOM 0 HG1 THR A 33 12.336 -4.005 -9.404 1.00 11.15 H new ATOM 0 HG21 THR A 33 11.815 -3.349 -7.218 1.00 1.43 H new ATOM 0 HG22 THR A 33 10.588 -4.292 -6.340 1.00 1.43 H new ATOM 0 HG23 THR A 33 12.214 -4.969 -6.597 1.00 1.43 H new ATOM 480 N VAL A 34 8.185 -6.345 -9.049 1.00 4.33 N ATOM 481 CA VAL A 34 7.158 -6.400 -10.060 1.00 0.22 C ATOM 482 C VAL A 34 6.304 -5.153 -9.964 1.00 0.42 C ATOM 483 O VAL A 34 6.049 -4.659 -8.844 1.00 42.44 O ATOM 484 CB VAL A 34 6.274 -7.690 -9.986 1.00 44.44 C ATOM 485 CG1 VAL A 34 7.080 -8.927 -10.354 1.00 15.24 C ATOM 486 CG2 VAL A 34 5.663 -7.861 -8.603 1.00 45.43 C ATOM 0 H VAL A 34 7.845 -6.078 -8.125 1.00 4.33 H new ATOM 0 HA VAL A 34 7.655 -6.445 -11.029 1.00 0.22 H new ATOM 0 HB VAL A 34 5.466 -7.572 -10.708 1.00 44.44 H new ATOM 0 HG11 VAL A 34 6.441 -9.808 -10.294 1.00 15.24 H new ATOM 0 HG12 VAL A 34 7.462 -8.824 -11.370 1.00 15.24 H new ATOM 0 HG13 VAL A 34 7.915 -9.036 -9.662 1.00 15.24 H new ATOM 0 HG21 VAL A 34 5.055 -8.765 -8.583 1.00 45.43 H new ATOM 0 HG22 VAL A 34 6.458 -7.942 -7.862 1.00 45.43 H new ATOM 0 HG23 VAL A 34 5.038 -6.998 -8.372 1.00 45.43 H new ATOM 496 N PRO A 35 5.910 -4.580 -11.115 1.00 53.31 N ATOM 497 CA PRO A 35 5.095 -3.382 -11.147 1.00 2.02 C ATOM 498 C PRO A 35 3.780 -3.571 -10.424 1.00 64.23 C ATOM 499 O PRO A 35 3.098 -4.600 -10.583 1.00 54.32 O ATOM 500 CB PRO A 35 4.870 -3.076 -12.632 1.00 52.13 C ATOM 501 CG PRO A 35 5.466 -4.206 -13.406 1.00 23.53 C ATOM 502 CD PRO A 35 6.252 -5.070 -12.457 1.00 63.13 C ATOM 0 HA PRO A 35 5.592 -2.559 -10.634 1.00 2.02 H new ATOM 0 HB2 PRO A 35 3.806 -2.979 -12.849 1.00 52.13 H new ATOM 0 HB3 PRO A 35 5.339 -2.131 -12.906 1.00 52.13 H new ATOM 0 HG2 PRO A 35 4.682 -4.789 -13.889 1.00 23.53 H new ATOM 0 HG3 PRO A 35 6.113 -3.825 -14.196 1.00 23.53 H new ATOM 0 HD2 PRO A 35 5.988 -6.121 -12.571 1.00 63.13 H new ATOM 0 HD3 PRO A 35 7.323 -4.988 -12.645 1.00 63.13 H new ATOM 510 N ALA A 36 3.443 -2.605 -9.615 1.00 43.25 N ATOM 511 CA ALA A 36 2.252 -2.632 -8.833 1.00 10.33 C ATOM 512 C ALA A 36 1.751 -1.243 -8.606 1.00 34.35 C ATOM 513 O ALA A 36 2.511 -0.289 -8.688 1.00 55.02 O ATOM 514 CB ALA A 36 2.484 -3.324 -7.517 1.00 64.21 C ATOM 0 H ALA A 36 4.004 -1.763 -9.483 1.00 43.25 H new ATOM 0 HA ALA A 36 1.498 -3.195 -9.383 1.00 10.33 H new ATOM 0 HB1 ALA A 36 1.559 -3.330 -6.941 1.00 64.21 H new ATOM 0 HB2 ALA A 36 2.806 -4.350 -7.697 1.00 64.21 H new ATOM 0 HB3 ALA A 36 3.256 -2.794 -6.958 1.00 64.21 H new ATOM 520 N VAL A 37 0.496 -1.126 -8.333 1.00 42.22 N ATOM 521 CA VAL A 37 -0.092 0.153 -8.111 1.00 23.13 C ATOM 522 C VAL A 37 -0.814 0.211 -6.755 1.00 70.15 C ATOM 523 O VAL A 37 -1.632 -0.658 -6.418 1.00 2.20 O ATOM 524 CB VAL A 37 -1.025 0.559 -9.285 1.00 11.22 C ATOM 525 CG1 VAL A 37 -2.121 -0.463 -9.493 1.00 35.32 C ATOM 526 CG2 VAL A 37 -1.608 1.932 -9.070 1.00 54.52 C ATOM 0 H VAL A 37 -0.151 -1.911 -8.257 1.00 42.22 H new ATOM 0 HA VAL A 37 0.714 0.886 -8.075 1.00 23.13 H new ATOM 0 HB VAL A 37 -0.418 0.590 -10.190 1.00 11.22 H new ATOM 0 HG11 VAL A 37 -2.757 -0.151 -10.321 1.00 35.32 H new ATOM 0 HG12 VAL A 37 -1.677 -1.432 -9.722 1.00 35.32 H new ATOM 0 HG13 VAL A 37 -2.720 -0.544 -8.586 1.00 35.32 H new ATOM 0 HG21 VAL A 37 -2.256 2.187 -9.908 1.00 54.52 H new ATOM 0 HG22 VAL A 37 -2.188 1.941 -8.147 1.00 54.52 H new ATOM 0 HG23 VAL A 37 -0.802 2.662 -8.999 1.00 54.52 H new ATOM 536 N LEU A 38 -0.479 1.211 -5.984 1.00 34.52 N ATOM 537 CA LEU A 38 -1.051 1.427 -4.699 1.00 23.52 C ATOM 538 C LEU A 38 -2.258 2.320 -4.768 1.00 52.13 C ATOM 539 O LEU A 38 -2.141 3.541 -4.838 1.00 33.21 O ATOM 540 CB LEU A 38 -0.018 2.003 -3.716 1.00 41.24 C ATOM 541 CG LEU A 38 -0.549 2.444 -2.337 1.00 20.21 C ATOM 542 CD1 LEU A 38 -1.315 1.335 -1.649 1.00 12.42 C ATOM 543 CD2 LEU A 38 0.599 2.884 -1.464 1.00 71.43 C ATOM 0 H LEU A 38 0.216 1.910 -6.246 1.00 34.52 H new ATOM 0 HA LEU A 38 -1.373 0.453 -4.330 1.00 23.52 H new ATOM 0 HB2 LEU A 38 0.758 1.253 -3.559 1.00 41.24 H new ATOM 0 HB3 LEU A 38 0.460 2.862 -4.188 1.00 41.24 H new ATOM 0 HG LEU A 38 -1.235 3.276 -2.496 1.00 20.21 H new ATOM 0 HD11 LEU A 38 -1.672 1.686 -0.681 1.00 12.42 H new ATOM 0 HD12 LEU A 38 -2.165 1.043 -2.266 1.00 12.42 H new ATOM 0 HD13 LEU A 38 -0.660 0.476 -1.504 1.00 12.42 H new ATOM 0 HD21 LEU A 38 0.218 3.194 -0.491 1.00 71.43 H new ATOM 0 HD22 LEU A 38 1.295 2.056 -1.334 1.00 71.43 H new ATOM 0 HD23 LEU A 38 1.115 3.721 -1.935 1.00 71.43 H new ATOM 555 N HIS A 39 -3.395 1.709 -4.820 1.00 74.54 N ATOM 556 CA HIS A 39 -4.640 2.418 -4.697 1.00 34.52 C ATOM 557 C HIS A 39 -4.816 2.870 -3.257 1.00 61.25 C ATOM 558 O HIS A 39 -4.674 2.070 -2.328 1.00 30.32 O ATOM 559 CB HIS A 39 -5.842 1.556 -5.177 1.00 74.22 C ATOM 560 CG HIS A 39 -5.962 0.181 -4.541 1.00 24.23 C ATOM 561 ND1 HIS A 39 -5.611 -0.972 -5.197 1.00 33.25 N ATOM 562 CD2 HIS A 39 -6.397 -0.216 -3.316 1.00 30.01 C ATOM 563 CE1 HIS A 39 -5.819 -2.006 -4.414 1.00 73.12 C ATOM 564 NE2 HIS A 39 -6.290 -1.582 -3.279 1.00 73.23 N ATOM 0 H HIS A 39 -3.495 0.702 -4.949 1.00 74.54 H new ATOM 0 HA HIS A 39 -4.613 3.295 -5.344 1.00 34.52 H new ATOM 0 HB2 HIS A 39 -6.762 2.108 -4.982 1.00 74.22 H new ATOM 0 HB3 HIS A 39 -5.768 1.431 -6.257 1.00 74.22 H new ATOM 0 HD2 HIS A 39 -6.758 0.423 -2.523 1.00 30.01 H new ATOM 0 HE1 HIS A 39 -5.630 -3.038 -4.671 1.00 73.12 H new ATOM 0 HE2 HIS A 39 -6.540 -2.173 -2.486 1.00 73.23 H new ATOM 573 N GLY A 40 -5.067 4.123 -3.068 1.00 0.14 N ATOM 574 CA GLY A 40 -5.273 4.612 -1.739 1.00 51.23 C ATOM 575 C GLY A 40 -4.344 5.729 -1.386 1.00 31.32 C ATOM 576 O GLY A 40 -4.577 6.444 -0.438 1.00 32.33 O ATOM 0 H GLY A 40 -5.135 4.823 -3.806 1.00 0.14 H new ATOM 0 HA2 GLY A 40 -6.303 4.955 -1.638 1.00 51.23 H new ATOM 0 HA3 GLY A 40 -5.138 3.795 -1.030 1.00 51.23 H new ATOM 580 N TYR A 41 -3.279 5.880 -2.131 1.00 43.14 N ATOM 581 CA TYR A 41 -2.343 6.932 -1.869 1.00 21.02 C ATOM 582 C TYR A 41 -2.097 7.809 -3.058 1.00 41.54 C ATOM 583 O TYR A 41 -2.379 7.440 -4.193 1.00 13.32 O ATOM 584 CB TYR A 41 -1.028 6.385 -1.303 1.00 30.05 C ATOM 585 CG TYR A 41 -1.110 6.032 0.159 1.00 5.34 C ATOM 586 CD1 TYR A 41 -1.661 4.830 0.604 1.00 71.21 C ATOM 587 CD2 TYR A 41 -0.657 6.932 1.100 1.00 72.23 C ATOM 588 CE1 TYR A 41 -1.745 4.550 1.950 1.00 53.20 C ATOM 589 CE2 TYR A 41 -0.743 6.661 2.446 1.00 34.53 C ATOM 590 CZ TYR A 41 -1.287 5.468 2.867 1.00 60.43 C ATOM 591 OH TYR A 41 -1.373 5.195 4.216 1.00 2.15 O ATOM 0 H TYR A 41 -3.042 5.284 -2.924 1.00 43.14 H new ATOM 0 HA TYR A 41 -2.804 7.564 -1.110 1.00 21.02 H new ATOM 0 HB2 TYR A 41 -0.738 5.499 -1.868 1.00 30.05 H new ATOM 0 HB3 TYR A 41 -0.242 7.126 -1.447 1.00 30.05 H new ATOM 0 HD1 TYR A 41 -2.026 4.111 -0.115 1.00 71.21 H new ATOM 0 HD2 TYR A 41 -0.227 7.867 0.774 1.00 72.23 H new ATOM 0 HE1 TYR A 41 -2.168 3.614 2.284 1.00 53.20 H new ATOM 0 HE2 TYR A 41 -0.386 7.380 3.169 1.00 34.53 H new ATOM 0 HH TYR A 41 -1.004 5.946 4.726 1.00 2.15 H new ATOM 601 N HIS A 42 -1.591 8.985 -2.777 1.00 15.32 N ATOM 602 CA HIS A 42 -1.191 9.944 -3.780 1.00 3.32 C ATOM 603 C HIS A 42 0.180 10.491 -3.444 1.00 20.22 C ATOM 604 O HIS A 42 0.449 10.834 -2.289 1.00 11.55 O ATOM 605 CB HIS A 42 -2.255 11.072 -4.032 1.00 10.54 C ATOM 606 CG HIS A 42 -2.817 11.796 -2.827 1.00 60.44 C ATOM 607 ND1 HIS A 42 -4.005 12.486 -2.862 1.00 24.44 N ATOM 608 CD2 HIS A 42 -2.359 11.939 -1.576 1.00 51.34 C ATOM 609 CE1 HIS A 42 -4.244 13.016 -1.686 1.00 4.23 C ATOM 610 NE2 HIS A 42 -3.260 12.700 -0.886 1.00 34.14 N ATOM 0 H HIS A 42 -1.442 9.310 -1.822 1.00 15.32 H new ATOM 0 HA HIS A 42 -1.130 9.420 -4.734 1.00 3.32 H new ATOM 0 HB2 HIS A 42 -1.805 11.816 -4.689 1.00 10.54 H new ATOM 0 HB3 HIS A 42 -3.090 10.629 -4.576 1.00 10.54 H new ATOM 0 HD1 HIS A 42 -4.610 12.573 -3.679 1.00 24.44 H new ATOM 0 HD2 HIS A 42 -1.441 11.526 -1.183 1.00 51.34 H new ATOM 0 HE1 HIS A 42 -5.106 13.611 -1.424 1.00 4.23 H new ATOM 619 N ARG A 43 1.050 10.530 -4.429 1.00 44.03 N ATOM 620 CA ARG A 43 2.416 10.980 -4.222 1.00 24.21 C ATOM 621 C ARG A 43 2.613 12.453 -4.481 1.00 44.42 C ATOM 622 O ARG A 43 1.889 13.063 -5.261 1.00 21.12 O ATOM 623 CB ARG A 43 3.463 10.097 -4.966 1.00 32.24 C ATOM 624 CG ARG A 43 3.214 9.818 -6.454 1.00 73.23 C ATOM 625 CD ARG A 43 3.228 11.059 -7.322 1.00 3.24 C ATOM 626 NE ARG A 43 3.050 10.718 -8.725 1.00 35.14 N ATOM 627 CZ ARG A 43 2.318 11.409 -9.603 1.00 74.43 C ATOM 628 NH1 ARG A 43 1.624 12.485 -9.213 1.00 4.45 N ATOM 629 NH2 ARG A 43 2.258 11.002 -10.860 1.00 52.31 N ATOM 0 H ARG A 43 0.838 10.255 -5.388 1.00 44.03 H new ATOM 0 HA ARG A 43 2.601 10.845 -3.156 1.00 24.21 H new ATOM 0 HB2 ARG A 43 4.438 10.576 -4.871 1.00 32.24 H new ATOM 0 HB3 ARG A 43 3.526 9.140 -4.449 1.00 32.24 H new ATOM 0 HG2 ARG A 43 3.974 9.125 -6.816 1.00 73.23 H new ATOM 0 HG3 ARG A 43 2.250 9.320 -6.564 1.00 73.23 H new ATOM 0 HD2 ARG A 43 2.435 11.737 -7.006 1.00 3.24 H new ATOM 0 HD3 ARG A 43 4.172 11.588 -7.190 1.00 3.24 H new ATOM 0 HE ARG A 43 3.524 9.882 -9.067 1.00 35.14 H new ATOM 0 HH11 ARG A 43 1.651 12.784 -8.238 1.00 4.45 H new ATOM 0 HH12 ARG A 43 1.068 13.006 -9.891 1.00 4.45 H new ATOM 0 HH21 ARG A 43 2.768 10.168 -11.151 1.00 52.31 H new ATOM 0 HH22 ARG A 43 1.702 11.522 -11.539 1.00 52.31 H new ATOM 643 N TYR A 44 3.571 13.005 -3.796 1.00 33.41 N ATOM 644 CA TYR A 44 3.951 14.397 -3.903 1.00 23.15 C ATOM 645 C TYR A 44 5.427 14.498 -4.093 1.00 73.44 C ATOM 646 O TYR A 44 6.134 13.496 -3.962 1.00 4.43 O ATOM 647 CB TYR A 44 3.572 15.151 -2.624 1.00 35.40 C ATOM 648 CG TYR A 44 2.104 15.161 -2.378 1.00 13.01 C ATOM 649 CD1 TYR A 44 1.481 14.114 -1.707 1.00 33.24 C ATOM 650 CD2 TYR A 44 1.326 16.202 -2.844 1.00 32.04 C ATOM 651 CE1 TYR A 44 0.120 14.123 -1.514 1.00 13.33 C ATOM 652 CE2 TYR A 44 -0.028 16.208 -2.655 1.00 42.04 C ATOM 653 CZ TYR A 44 -0.625 15.173 -1.992 1.00 31.23 C ATOM 654 OH TYR A 44 -1.976 15.181 -1.808 1.00 43.10 O ATOM 0 H TYR A 44 4.134 12.486 -3.122 1.00 33.41 H new ATOM 0 HA TYR A 44 3.429 14.835 -4.754 1.00 23.15 H new ATOM 0 HB2 TYR A 44 4.076 14.692 -1.773 1.00 35.40 H new ATOM 0 HB3 TYR A 44 3.932 16.178 -2.692 1.00 35.40 H new ATOM 0 HD1 TYR A 44 2.070 13.289 -1.335 1.00 33.24 H new ATOM 0 HD2 TYR A 44 1.794 17.024 -3.366 1.00 32.04 H new ATOM 0 HE1 TYR A 44 -0.360 13.310 -0.990 1.00 13.33 H new ATOM 0 HE2 TYR A 44 -0.624 17.028 -3.028 1.00 42.04 H new ATOM 0 HH TYR A 44 -2.223 14.483 -1.166 1.00 43.10 H new ATOM 664 N LYS A 45 5.887 15.686 -4.411 1.00 24.21 N ATOM 665 CA LYS A 45 7.291 15.985 -4.498 1.00 23.54 C ATOM 666 C LYS A 45 7.602 17.310 -3.903 1.00 24.25 C ATOM 667 O LYS A 45 7.582 18.327 -4.579 1.00 73.03 O ATOM 668 CB LYS A 45 7.872 15.884 -5.916 1.00 10.21 C ATOM 669 CG LYS A 45 8.040 14.478 -6.425 1.00 51.34 C ATOM 670 CD LYS A 45 8.990 13.719 -5.528 1.00 53.33 C ATOM 671 CE LYS A 45 9.206 12.304 -6.026 1.00 60.32 C ATOM 672 NZ LYS A 45 10.095 11.521 -5.136 1.00 63.24 N ATOM 0 H LYS A 45 5.284 16.482 -4.619 1.00 24.21 H new ATOM 0 HA LYS A 45 7.781 15.205 -3.915 1.00 23.54 H new ATOM 0 HB2 LYS A 45 7.222 16.429 -6.601 1.00 10.21 H new ATOM 0 HB3 LYS A 45 8.842 16.381 -5.933 1.00 10.21 H new ATOM 0 HG2 LYS A 45 7.074 13.975 -6.455 1.00 51.34 H new ATOM 0 HG3 LYS A 45 8.423 14.494 -7.445 1.00 51.34 H new ATOM 0 HD2 LYS A 45 9.946 14.241 -5.483 1.00 53.33 H new ATOM 0 HD3 LYS A 45 8.593 13.693 -4.513 1.00 53.33 H new ATOM 0 HE2 LYS A 45 8.243 11.800 -6.108 1.00 60.32 H new ATOM 0 HE3 LYS A 45 9.636 12.336 -7.027 1.00 60.32 H new ATOM 0 HZ1 LYS A 45 9.723 10.555 -5.037 1.00 63.24 H new ATOM 0 HZ2 LYS A 45 11.050 11.484 -5.545 1.00 63.24 H new ATOM 0 HZ3 LYS A 45 10.136 11.974 -4.201 1.00 63.24 H new ATOM 686 N LEU A 46 7.829 17.324 -2.637 1.00 71.51 N ATOM 687 CA LEU A 46 8.251 18.532 -2.023 1.00 50.54 C ATOM 688 C LEU A 46 9.754 18.652 -2.026 1.00 55.15 C ATOM 689 O LEU A 46 10.445 18.092 -1.189 1.00 4.04 O ATOM 690 CB LEU A 46 7.555 18.915 -0.674 1.00 24.15 C ATOM 691 CG LEU A 46 7.276 17.819 0.378 1.00 23.53 C ATOM 692 CD1 LEU A 46 6.922 18.465 1.699 1.00 14.35 C ATOM 693 CD2 LEU A 46 6.092 16.959 -0.048 1.00 63.23 C ATOM 0 H LEU A 46 7.731 16.523 -2.013 1.00 71.51 H new ATOM 0 HA LEU A 46 7.868 19.325 -2.665 1.00 50.54 H new ATOM 0 HB2 LEU A 46 8.169 19.678 -0.195 1.00 24.15 H new ATOM 0 HB3 LEU A 46 6.601 19.381 -0.920 1.00 24.15 H new ATOM 0 HG LEU A 46 8.170 17.203 0.472 1.00 23.53 H new ATOM 0 HD11 LEU A 46 6.725 17.691 2.441 1.00 14.35 H new ATOM 0 HD12 LEU A 46 7.752 19.087 2.034 1.00 14.35 H new ATOM 0 HD13 LEU A 46 6.033 19.083 1.575 1.00 14.35 H new ATOM 0 HD21 LEU A 46 5.910 16.192 0.705 1.00 63.23 H new ATOM 0 HD22 LEU A 46 5.206 17.585 -0.150 1.00 63.23 H new ATOM 0 HD23 LEU A 46 6.313 16.484 -1.004 1.00 63.23 H new ATOM 705 N LYS A 47 10.233 19.398 -3.012 1.00 0.33 N ATOM 706 CA LYS A 47 11.657 19.582 -3.330 1.00 64.43 C ATOM 707 C LYS A 47 12.355 20.316 -2.232 1.00 75.04 C ATOM 708 O LYS A 47 13.578 20.230 -2.089 1.00 34.45 O ATOM 709 CB LYS A 47 11.777 20.409 -4.599 1.00 55.11 C ATOM 710 CG LYS A 47 10.971 19.872 -5.749 1.00 62.31 C ATOM 711 CD LYS A 47 11.463 18.505 -6.241 1.00 12.23 C ATOM 712 CE LYS A 47 12.855 18.595 -6.853 1.00 23.50 C ATOM 713 NZ LYS A 47 13.310 17.300 -7.400 1.00 63.12 N ATOM 0 H LYS A 47 9.621 19.916 -3.643 1.00 0.33 H new ATOM 0 HA LYS A 47 12.112 18.600 -3.455 1.00 64.43 H new ATOM 0 HB2 LYS A 47 11.458 21.430 -4.388 1.00 55.11 H new ATOM 0 HB3 LYS A 47 12.826 20.457 -4.893 1.00 55.11 H new ATOM 0 HG2 LYS A 47 9.927 19.788 -5.446 1.00 62.31 H new ATOM 0 HG3 LYS A 47 11.007 20.583 -6.574 1.00 62.31 H new ATOM 0 HD2 LYS A 47 11.476 17.802 -5.408 1.00 12.23 H new ATOM 0 HD3 LYS A 47 10.765 18.111 -6.980 1.00 12.23 H new ATOM 0 HE2 LYS A 47 12.853 19.342 -7.647 1.00 23.50 H new ATOM 0 HE3 LYS A 47 13.561 18.936 -6.096 1.00 23.50 H new ATOM 0 HZ1 LYS A 47 14.261 17.410 -7.806 1.00 63.12 H new ATOM 0 HZ2 LYS A 47 13.338 16.592 -6.639 1.00 63.12 H new ATOM 0 HZ3 LYS A 47 12.652 16.986 -8.141 1.00 63.12 H new ATOM 727 N GLY A 48 11.583 21.058 -1.469 1.00 1.14 N ATOM 728 CA GLY A 48 12.116 21.793 -0.365 1.00 45.23 C ATOM 729 C GLY A 48 12.606 20.867 0.750 1.00 52.14 C ATOM 730 O GLY A 48 13.308 21.290 1.671 1.00 12.31 O ATOM 0 H GLY A 48 10.577 21.163 -1.602 1.00 1.14 H new ATOM 0 HA2 GLY A 48 12.941 22.417 -0.708 1.00 45.23 H new ATOM 0 HA3 GLY A 48 11.352 22.463 0.029 1.00 45.23 H new ATOM 734 N LEU A 49 12.226 19.614 0.641 1.00 42.01 N ATOM 735 CA LEU A 49 12.604 18.546 1.531 1.00 22.03 C ATOM 736 C LEU A 49 13.201 17.416 0.669 1.00 45.21 C ATOM 737 O LEU A 49 13.174 17.531 -0.557 1.00 70.14 O ATOM 738 CB LEU A 49 11.389 18.061 2.354 1.00 2.33 C ATOM 739 CG LEU A 49 10.774 19.081 3.326 1.00 44.44 C ATOM 740 CD1 LEU A 49 9.636 18.450 4.095 1.00 32.05 C ATOM 741 CD2 LEU A 49 11.825 19.608 4.296 1.00 13.23 C ATOM 0 H LEU A 49 11.613 19.299 -0.111 1.00 42.01 H new ATOM 0 HA LEU A 49 13.345 18.888 2.253 1.00 22.03 H new ATOM 0 HB2 LEU A 49 10.613 17.738 1.660 1.00 2.33 H new ATOM 0 HB3 LEU A 49 11.691 17.183 2.925 1.00 2.33 H new ATOM 0 HG LEU A 49 10.391 19.918 2.742 1.00 44.44 H new ATOM 0 HD11 LEU A 49 9.209 19.183 4.780 1.00 32.05 H new ATOM 0 HD12 LEU A 49 8.868 18.114 3.398 1.00 32.05 H new ATOM 0 HD13 LEU A 49 10.009 17.597 4.662 1.00 32.05 H new ATOM 0 HD21 LEU A 49 11.366 20.328 4.974 1.00 13.23 H new ATOM 0 HD22 LEU A 49 12.237 18.779 4.872 1.00 13.23 H new ATOM 0 HD23 LEU A 49 12.625 20.094 3.737 1.00 13.23 H new ATOM 753 N PRO A 50 13.828 16.362 1.274 1.00 10.33 N ATOM 754 CA PRO A 50 14.435 15.188 0.526 1.00 2.05 C ATOM 755 C PRO A 50 13.422 14.365 -0.354 1.00 32.13 C ATOM 756 O PRO A 50 13.392 13.131 -0.300 1.00 25.11 O ATOM 757 CB PRO A 50 14.957 14.311 1.670 1.00 24.42 C ATOM 758 CG PRO A 50 15.186 15.251 2.789 1.00 10.32 C ATOM 759 CD PRO A 50 14.051 16.215 2.728 1.00 73.44 C ATOM 0 HA PRO A 50 15.179 15.529 -0.194 1.00 2.05 H new ATOM 0 HB2 PRO A 50 14.234 13.542 1.941 1.00 24.42 H new ATOM 0 HB3 PRO A 50 15.877 13.799 1.388 1.00 24.42 H new ATOM 0 HG2 PRO A 50 15.207 14.728 3.745 1.00 10.32 H new ATOM 0 HG3 PRO A 50 16.143 15.762 2.684 1.00 10.32 H new ATOM 0 HD2 PRO A 50 13.166 15.832 3.237 1.00 73.44 H new ATOM 0 HD3 PRO A 50 14.302 17.166 3.198 1.00 73.44 H new ATOM 767 N TYR A 51 12.669 15.075 -1.187 1.00 14.41 N ATOM 768 CA TYR A 51 11.680 14.542 -2.136 1.00 4.44 C ATOM 769 C TYR A 51 10.643 13.505 -1.635 1.00 24.22 C ATOM 770 O TYR A 51 10.648 12.338 -2.047 1.00 64.20 O ATOM 771 CB TYR A 51 12.219 14.293 -3.557 1.00 52.22 C ATOM 772 CG TYR A 51 13.553 13.590 -3.618 1.00 12.22 C ATOM 773 CD1 TYR A 51 13.674 12.243 -3.338 1.00 30.23 C ATOM 774 CD2 TYR A 51 14.700 14.294 -3.952 1.00 72.13 C ATOM 775 CE1 TYR A 51 14.897 11.618 -3.389 1.00 52.43 C ATOM 776 CE2 TYR A 51 15.924 13.676 -4.005 1.00 32.14 C ATOM 777 CZ TYR A 51 16.020 12.339 -3.723 1.00 45.42 C ATOM 778 OH TYR A 51 17.245 11.719 -3.776 1.00 22.20 O ATOM 0 H TYR A 51 12.730 16.092 -1.226 1.00 14.41 H new ATOM 0 HA TYR A 51 11.026 15.410 -2.221 1.00 4.44 H new ATOM 0 HB2 TYR A 51 11.488 13.702 -4.108 1.00 52.22 H new ATOM 0 HB3 TYR A 51 12.306 15.251 -4.070 1.00 52.22 H new ATOM 0 HD1 TYR A 51 12.795 11.673 -3.075 1.00 30.23 H new ATOM 0 HD2 TYR A 51 14.629 15.348 -4.175 1.00 72.13 H new ATOM 0 HE1 TYR A 51 14.976 10.564 -3.168 1.00 52.43 H new ATOM 0 HE2 TYR A 51 16.807 14.240 -4.268 1.00 32.14 H new ATOM 0 HH TYR A 51 17.931 12.372 -4.028 1.00 22.20 H new ATOM 788 N PRO A 52 9.787 13.938 -0.701 1.00 30.01 N ATOM 789 CA PRO A 52 8.625 13.192 -0.193 1.00 53.21 C ATOM 790 C PRO A 52 7.362 13.637 -0.956 1.00 4.44 C ATOM 791 O PRO A 52 7.429 14.636 -1.679 1.00 34.52 O ATOM 792 CB PRO A 52 8.527 13.700 1.265 1.00 42.14 C ATOM 793 CG PRO A 52 9.543 14.797 1.396 1.00 2.12 C ATOM 794 CD PRO A 52 9.898 15.199 0.008 1.00 25.01 C ATOM 0 HA PRO A 52 8.715 12.110 -0.291 1.00 53.21 H new ATOM 0 HB2 PRO A 52 7.525 14.070 1.482 1.00 42.14 H new ATOM 0 HB3 PRO A 52 8.730 12.895 1.972 1.00 42.14 H new ATOM 0 HG2 PRO A 52 9.136 15.640 1.954 1.00 2.12 H new ATOM 0 HG3 PRO A 52 10.423 14.451 1.938 1.00 2.12 H new ATOM 0 HD2 PRO A 52 9.216 15.952 -0.387 1.00 25.01 H new ATOM 0 HD3 PRO A 52 10.903 15.616 -0.053 1.00 25.01 H new ATOM 802 N CYS A 53 6.202 12.953 -0.834 1.00 33.21 N ATOM 803 CA CYS A 53 5.942 11.718 -0.078 1.00 14.22 C ATOM 804 C CYS A 53 4.697 11.031 -0.676 1.00 42.44 C ATOM 805 O CYS A 53 4.254 11.405 -1.756 1.00 41.21 O ATOM 806 CB CYS A 53 5.613 12.107 1.347 1.00 53.00 C ATOM 807 SG CYS A 53 4.391 13.438 1.485 1.00 32.44 S ATOM 0 H CYS A 53 5.358 13.282 -1.302 1.00 33.21 H new ATOM 0 HA CYS A 53 6.806 11.054 -0.119 1.00 14.22 H new ATOM 0 HB2 CYS A 53 5.240 11.229 1.875 1.00 53.00 H new ATOM 0 HB3 CYS A 53 6.530 12.416 1.849 1.00 53.00 H new ATOM 0 HG CYS A 53 4.174 13.699 2.740 1.00 32.44 H new ATOM 813 N ILE A 54 4.145 10.034 0.033 1.00 73.43 N ATOM 814 CA ILE A 54 2.781 9.575 -0.225 1.00 32.21 C ATOM 815 C ILE A 54 2.025 9.687 1.067 1.00 74.13 C ATOM 816 O ILE A 54 2.525 9.269 2.124 1.00 73.21 O ATOM 817 CB ILE A 54 2.582 8.125 -0.799 1.00 41.11 C ATOM 818 CG1 ILE A 54 3.103 7.007 0.109 1.00 30.21 C ATOM 819 CG2 ILE A 54 3.120 8.001 -2.189 1.00 52.13 C ATOM 820 CD1 ILE A 54 2.698 5.612 -0.370 1.00 43.43 C ATOM 0 H ILE A 54 4.623 9.536 0.784 1.00 73.43 H new ATOM 0 HA ILE A 54 2.418 10.214 -1.030 1.00 32.21 H new ATOM 0 HB ILE A 54 1.502 7.982 -0.836 1.00 41.11 H new ATOM 0 HG12 ILE A 54 4.190 7.066 0.162 1.00 30.21 H new ATOM 0 HG13 ILE A 54 2.726 7.162 1.120 1.00 30.21 H new ATOM 0 HG21 ILE A 54 2.964 6.985 -2.550 1.00 52.13 H new ATOM 0 HG22 ILE A 54 2.602 8.702 -2.843 1.00 52.13 H new ATOM 0 HG23 ILE A 54 4.187 8.225 -2.188 1.00 52.13 H new ATOM 0 HD11 ILE A 54 3.096 4.863 0.314 1.00 43.43 H new ATOM 0 HD12 ILE A 54 1.611 5.538 -0.396 1.00 43.43 H new ATOM 0 HD13 ILE A 54 3.098 5.440 -1.369 1.00 43.43 H new ATOM 832 N VAL A 55 0.872 10.279 1.013 1.00 4.32 N ATOM 833 CA VAL A 55 0.060 10.482 2.219 1.00 51.54 C ATOM 834 C VAL A 55 -1.409 10.370 1.912 1.00 31.05 C ATOM 835 O VAL A 55 -1.790 10.364 0.749 1.00 64.35 O ATOM 836 CB VAL A 55 0.302 11.875 2.898 1.00 74.44 C ATOM 837 CG1 VAL A 55 1.707 12.004 3.445 1.00 13.12 C ATOM 838 CG2 VAL A 55 0.014 13.007 1.927 1.00 10.22 C ATOM 0 H VAL A 55 0.453 10.638 0.155 1.00 4.32 H new ATOM 0 HA VAL A 55 0.372 9.697 2.908 1.00 51.54 H new ATOM 0 HB VAL A 55 -0.389 11.943 3.738 1.00 74.44 H new ATOM 0 HG11 VAL A 55 1.829 12.984 3.906 1.00 13.12 H new ATOM 0 HG12 VAL A 55 1.880 11.228 4.191 1.00 13.12 H new ATOM 0 HG13 VAL A 55 2.425 11.893 2.633 1.00 13.12 H new ATOM 0 HG21 VAL A 55 0.189 13.963 2.421 1.00 10.22 H new ATOM 0 HG22 VAL A 55 0.671 12.920 1.062 1.00 10.22 H new ATOM 0 HG23 VAL A 55 -1.025 12.951 1.601 1.00 10.22 H new ATOM 848 N SER A 56 -2.205 10.265 2.977 1.00 73.02 N ATOM 849 CA SER A 56 -3.668 10.272 2.956 1.00 11.35 C ATOM 850 C SER A 56 -4.287 9.084 2.198 1.00 14.24 C ATOM 851 O SER A 56 -3.815 8.676 1.139 1.00 61.54 O ATOM 852 CB SER A 56 -4.190 11.619 2.415 1.00 12.43 C ATOM 853 OG SER A 56 -5.604 11.692 2.459 1.00 35.13 O ATOM 0 H SER A 56 -1.830 10.168 3.921 1.00 73.02 H new ATOM 0 HA SER A 56 -3.991 10.152 3.990 1.00 11.35 H new ATOM 0 HB2 SER A 56 -3.766 12.435 3.000 1.00 12.43 H new ATOM 0 HB3 SER A 56 -3.851 11.754 1.388 1.00 12.43 H new ATOM 0 HG SER A 56 -5.898 12.559 2.110 1.00 35.13 H new ATOM 859 N SER A 57 -5.347 8.534 2.761 1.00 31.30 N ATOM 860 CA SER A 57 -6.072 7.479 2.114 1.00 64.13 C ATOM 861 C SER A 57 -7.036 8.049 1.058 1.00 32.32 C ATOM 862 O SER A 57 -8.247 8.202 1.279 1.00 5.24 O ATOM 863 CB SER A 57 -6.758 6.568 3.142 1.00 12.11 C ATOM 864 OG SER A 57 -7.460 7.337 4.125 1.00 63.34 O ATOM 0 H SER A 57 -5.719 8.809 3.670 1.00 31.30 H new ATOM 0 HA SER A 57 -5.369 6.844 1.575 1.00 64.13 H new ATOM 0 HB2 SER A 57 -7.453 5.900 2.634 1.00 12.11 H new ATOM 0 HB3 SER A 57 -6.013 5.940 3.631 1.00 12.11 H new ATOM 0 HG SER A 57 -7.889 6.734 4.767 1.00 63.34 H new ATOM 870 N ASP A 58 -6.454 8.445 -0.041 1.00 74.33 N ATOM 871 CA ASP A 58 -7.151 9.052 -1.157 1.00 3.21 C ATOM 872 C ASP A 58 -7.750 7.960 -2.062 1.00 22.53 C ATOM 873 O ASP A 58 -7.442 6.780 -1.902 1.00 75.40 O ATOM 874 CB ASP A 58 -6.168 9.956 -1.922 1.00 4.31 C ATOM 875 CG ASP A 58 -6.792 10.744 -3.050 1.00 34.42 C ATOM 876 OD1 ASP A 58 -7.453 11.771 -2.784 1.00 3.34 O ATOM 877 OD2 ASP A 58 -6.627 10.355 -4.205 1.00 41.00 O ATOM 0 H ASP A 58 -5.450 8.354 -0.196 1.00 74.33 H new ATOM 0 HA ASP A 58 -7.979 9.665 -0.800 1.00 3.21 H new ATOM 0 HB2 ASP A 58 -5.711 10.652 -1.219 1.00 4.31 H new ATOM 0 HB3 ASP A 58 -5.366 9.339 -2.327 1.00 4.31 H new ATOM 882 N SER A 59 -8.605 8.333 -2.979 1.00 10.55 N ATOM 883 CA SER A 59 -9.211 7.381 -3.878 1.00 73.20 C ATOM 884 C SER A 59 -8.387 7.240 -5.164 1.00 33.24 C ATOM 885 O SER A 59 -8.786 6.554 -6.103 1.00 4.51 O ATOM 886 CB SER A 59 -10.635 7.807 -4.180 1.00 72.23 C ATOM 887 OG SER A 59 -11.368 7.924 -2.965 1.00 22.44 O ATOM 0 H SER A 59 -8.900 9.298 -3.124 1.00 10.55 H new ATOM 0 HA SER A 59 -9.232 6.402 -3.400 1.00 73.20 H new ATOM 0 HB2 SER A 59 -10.635 8.760 -4.710 1.00 72.23 H new ATOM 0 HB3 SER A 59 -11.112 7.078 -4.835 1.00 72.23 H new ATOM 0 HG SER A 59 -12.287 8.201 -3.163 1.00 22.44 H new ATOM 893 N GLY A 60 -7.256 7.905 -5.194 1.00 0.32 N ATOM 894 CA GLY A 60 -6.353 7.793 -6.293 1.00 4.11 C ATOM 895 C GLY A 60 -5.392 6.655 -6.097 1.00 73.20 C ATOM 896 O GLY A 60 -5.574 5.827 -5.188 1.00 23.05 O ATOM 0 H GLY A 60 -6.945 8.535 -4.455 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -6.915 7.642 -7.214 1.00 4.11 H new ATOM 0 HA3 GLY A 60 -5.798 8.724 -6.407 1.00 4.11 H new ATOM 900 N LYS A 61 -4.363 6.602 -6.913 1.00 11.13 N ATOM 901 CA LYS A 61 -3.424 5.515 -6.830 1.00 12.44 C ATOM 902 C LYS A 61 -2.032 5.910 -7.346 1.00 71.11 C ATOM 903 O LYS A 61 -1.892 6.809 -8.195 1.00 43.02 O ATOM 904 CB LYS A 61 -3.982 4.274 -7.553 1.00 10.54 C ATOM 905 CG LYS A 61 -4.257 4.462 -9.029 1.00 30.31 C ATOM 906 CD LYS A 61 -4.902 3.222 -9.654 1.00 4.43 C ATOM 907 CE LYS A 61 -6.283 2.916 -9.067 1.00 34.41 C ATOM 908 NZ LYS A 61 -7.268 3.999 -9.312 1.00 73.24 N ATOM 0 H LYS A 61 -4.159 7.294 -7.634 1.00 11.13 H new ATOM 0 HA LYS A 61 -3.292 5.262 -5.778 1.00 12.44 H new ATOM 0 HB2 LYS A 61 -3.275 3.454 -7.432 1.00 10.54 H new ATOM 0 HB3 LYS A 61 -4.907 3.972 -7.062 1.00 10.54 H new ATOM 0 HG2 LYS A 61 -4.913 5.321 -9.169 1.00 30.31 H new ATOM 0 HG3 LYS A 61 -3.324 4.685 -9.546 1.00 30.31 H new ATOM 0 HD2 LYS A 61 -4.993 3.368 -10.730 1.00 4.43 H new ATOM 0 HD3 LYS A 61 -4.249 2.362 -9.503 1.00 4.43 H new ATOM 0 HE2 LYS A 61 -6.657 1.987 -9.497 1.00 34.41 H new ATOM 0 HE3 LYS A 61 -6.188 2.754 -7.993 1.00 34.41 H new ATOM 0 HZ1 LYS A 61 -8.210 3.689 -8.999 1.00 73.24 H new ATOM 0 HZ2 LYS A 61 -6.989 4.849 -8.781 1.00 73.24 H new ATOM 0 HZ3 LYS A 61 -7.296 4.219 -10.328 1.00 73.24 H new ATOM 922 N VAL A 62 -1.022 5.253 -6.801 1.00 2.41 N ATOM 923 CA VAL A 62 0.382 5.472 -7.149 1.00 64.35 C ATOM 924 C VAL A 62 0.932 4.219 -7.810 1.00 11.33 C ATOM 925 O VAL A 62 0.792 3.141 -7.265 1.00 64.32 O ATOM 926 CB VAL A 62 1.226 5.728 -5.862 1.00 73.20 C ATOM 927 CG1 VAL A 62 2.687 5.964 -6.200 1.00 34.12 C ATOM 928 CG2 VAL A 62 0.664 6.877 -5.040 1.00 65.41 C ATOM 0 H VAL A 62 -1.153 4.535 -6.088 1.00 2.41 H new ATOM 0 HA VAL A 62 0.442 6.332 -7.816 1.00 64.35 H new ATOM 0 HB VAL A 62 1.164 4.828 -5.251 1.00 73.20 H new ATOM 0 HG11 VAL A 62 3.249 6.139 -5.283 1.00 34.12 H new ATOM 0 HG12 VAL A 62 3.089 5.088 -6.710 1.00 34.12 H new ATOM 0 HG13 VAL A 62 2.774 6.834 -6.851 1.00 34.12 H new ATOM 0 HG21 VAL A 62 1.279 7.024 -4.152 1.00 65.41 H new ATOM 0 HG22 VAL A 62 0.667 7.788 -5.638 1.00 65.41 H new ATOM 0 HG23 VAL A 62 -0.357 6.644 -4.739 1.00 65.41 H new ATOM 938 N ASN A 63 1.552 4.340 -8.963 1.00 42.32 N ATOM 939 CA ASN A 63 2.115 3.157 -9.604 1.00 63.53 C ATOM 940 C ASN A 63 3.619 3.087 -9.373 1.00 51.20 C ATOM 941 O ASN A 63 4.329 4.087 -9.513 1.00 43.13 O ATOM 942 CB ASN A 63 1.773 3.064 -11.118 1.00 65.34 C ATOM 943 CG ASN A 63 2.382 4.161 -11.980 1.00 31.24 C ATOM 944 OD1 ASN A 63 3.488 4.024 -12.499 1.00 11.40 O ATOM 945 ND2 ASN A 63 1.668 5.235 -12.150 1.00 51.02 N ATOM 0 H ASN A 63 1.681 5.216 -9.470 1.00 42.32 H new ATOM 0 HA ASN A 63 1.647 2.292 -9.135 1.00 63.53 H new ATOM 0 HB2 ASN A 63 2.110 2.098 -11.493 1.00 65.34 H new ATOM 0 HB3 ASN A 63 0.689 3.090 -11.233 1.00 65.34 H new ATOM 0 HD21 ASN A 63 2.022 5.996 -12.729 1.00 51.02 H new ATOM 0 HD22 ASN A 63 0.754 5.316 -11.704 1.00 51.02 H new ATOM 952 N GLY A 64 4.082 1.933 -8.981 1.00 24.13 N ATOM 953 CA GLY A 64 5.483 1.711 -8.746 1.00 52.34 C ATOM 954 C GLY A 64 5.824 0.239 -8.858 1.00 44.45 C ATOM 955 O GLY A 64 5.319 -0.459 -9.749 1.00 52.24 O ATOM 0 H GLY A 64 3.496 1.115 -8.814 1.00 24.13 H new ATOM 0 HA2 GLY A 64 6.071 2.280 -9.466 1.00 52.34 H new ATOM 0 HA3 GLY A 64 5.752 2.076 -7.755 1.00 52.34 H new ATOM 959 N LYS A 65 6.648 -0.238 -7.958 1.00 70.21 N ATOM 960 CA LYS A 65 7.067 -1.629 -7.923 1.00 34.13 C ATOM 961 C LYS A 65 7.189 -2.111 -6.507 1.00 53.34 C ATOM 962 O LYS A 65 7.556 -1.344 -5.616 1.00 11.35 O ATOM 963 CB LYS A 65 8.396 -1.875 -8.695 1.00 70.13 C ATOM 964 CG LYS A 65 8.229 -1.995 -10.213 1.00 71.21 C ATOM 965 CD LYS A 65 9.552 -2.218 -10.953 1.00 60.01 C ATOM 966 CE LYS A 65 10.350 -0.947 -11.141 1.00 34.11 C ATOM 967 NZ LYS A 65 11.599 -1.189 -11.912 1.00 42.45 N ATOM 0 H LYS A 65 7.055 0.332 -7.217 1.00 70.21 H new ATOM 0 HA LYS A 65 6.291 -2.202 -8.431 1.00 34.13 H new ATOM 0 HB2 LYS A 65 9.084 -1.057 -8.480 1.00 70.13 H new ATOM 0 HB3 LYS A 65 8.858 -2.788 -8.319 1.00 70.13 H new ATOM 0 HG2 LYS A 65 7.554 -2.822 -10.433 1.00 71.21 H new ATOM 0 HG3 LYS A 65 7.757 -1.089 -10.592 1.00 71.21 H new ATOM 0 HD2 LYS A 65 10.154 -2.939 -10.399 1.00 60.01 H new ATOM 0 HD3 LYS A 65 9.346 -2.658 -11.929 1.00 60.01 H new ATOM 0 HE2 LYS A 65 9.740 -0.208 -11.660 1.00 34.11 H new ATOM 0 HE3 LYS A 65 10.600 -0.527 -10.167 1.00 34.11 H new ATOM 0 HZ1 LYS A 65 12.420 -0.909 -11.339 1.00 42.45 H new ATOM 0 HZ2 LYS A 65 11.670 -2.199 -12.149 1.00 42.45 H new ATOM 0 HZ3 LYS A 65 11.580 -0.628 -12.788 1.00 42.45 H new ATOM 981 N VAL A 66 6.862 -3.361 -6.293 1.00 53.31 N ATOM 982 CA VAL A 66 7.005 -3.952 -4.989 1.00 73.40 C ATOM 983 C VAL A 66 8.213 -4.853 -4.970 1.00 21.04 C ATOM 984 O VAL A 66 8.410 -5.678 -5.879 1.00 5.25 O ATOM 985 CB VAL A 66 5.736 -4.730 -4.498 1.00 0.02 C ATOM 986 CG1 VAL A 66 4.553 -3.803 -4.346 1.00 52.42 C ATOM 987 CG2 VAL A 66 5.378 -5.884 -5.421 1.00 24.13 C ATOM 0 H VAL A 66 6.494 -3.989 -7.008 1.00 53.31 H new ATOM 0 HA VAL A 66 7.135 -3.127 -4.288 1.00 73.40 H new ATOM 0 HB VAL A 66 5.985 -5.148 -3.522 1.00 0.02 H new ATOM 0 HG11 VAL A 66 3.687 -4.371 -4.004 1.00 52.42 H new ATOM 0 HG12 VAL A 66 4.789 -3.028 -3.617 1.00 52.42 H new ATOM 0 HG13 VAL A 66 4.327 -3.341 -5.307 1.00 52.42 H new ATOM 0 HG21 VAL A 66 4.493 -6.393 -5.040 1.00 24.13 H new ATOM 0 HG22 VAL A 66 5.174 -5.501 -6.421 1.00 24.13 H new ATOM 0 HG23 VAL A 66 6.210 -6.587 -5.465 1.00 24.13 H new ATOM 997 N ILE A 67 9.042 -4.663 -3.986 1.00 4.22 N ATOM 998 CA ILE A 67 10.217 -5.465 -3.827 1.00 61.30 C ATOM 999 C ILE A 67 9.825 -6.652 -2.979 1.00 62.33 C ATOM 1000 O ILE A 67 9.498 -6.500 -1.803 1.00 32.33 O ATOM 1001 CB ILE A 67 11.361 -4.680 -3.135 1.00 63.21 C ATOM 1002 CG1 ILE A 67 11.487 -3.296 -3.757 1.00 13.04 C ATOM 1003 CG2 ILE A 67 12.662 -5.437 -3.347 1.00 62.34 C ATOM 1004 CD1 ILE A 67 12.383 -2.418 -2.965 1.00 42.12 C ATOM 0 H ILE A 67 8.921 -3.946 -3.270 1.00 4.22 H new ATOM 0 HA ILE A 67 10.590 -5.771 -4.804 1.00 61.30 H new ATOM 0 HB ILE A 67 11.146 -4.578 -2.071 1.00 63.21 H new ATOM 0 HG12 ILE A 67 11.872 -3.387 -4.773 1.00 13.04 H new ATOM 0 HG13 ILE A 67 10.500 -2.838 -3.830 1.00 13.04 H new ATOM 0 HG21 ILE A 67 13.479 -4.899 -2.866 1.00 62.34 H new ATOM 0 HG22 ILE A 67 12.578 -6.433 -2.912 1.00 62.34 H new ATOM 0 HG23 ILE A 67 12.863 -5.523 -4.415 1.00 62.34 H new ATOM 0 HD11 ILE A 67 12.447 -1.439 -3.441 1.00 42.12 H new ATOM 0 HD12 ILE A 67 11.984 -2.306 -1.957 1.00 42.12 H new ATOM 0 HD13 ILE A 67 13.377 -2.863 -2.915 1.00 42.12 H new ATOM 1016 N THR A 68 9.808 -7.804 -3.582 1.00 31.20 N ATOM 1017 CA THR A 68 9.362 -9.006 -2.921 1.00 64.04 C ATOM 1018 C THR A 68 10.534 -9.834 -2.423 1.00 43.31 C ATOM 1019 O THR A 68 11.669 -9.645 -2.872 1.00 51.11 O ATOM 1020 CB THR A 68 8.510 -9.863 -3.885 1.00 11.24 C ATOM 1021 OG1 THR A 68 9.278 -10.177 -5.067 1.00 22.13 O ATOM 1022 CG2 THR A 68 7.247 -9.117 -4.295 1.00 42.11 C ATOM 0 H THR A 68 10.103 -7.942 -4.549 1.00 31.20 H new ATOM 0 HA THR A 68 8.760 -8.703 -2.064 1.00 64.04 H new ATOM 0 HB THR A 68 8.228 -10.781 -3.370 1.00 11.24 H new ATOM 0 HG1 THR A 68 9.683 -9.358 -5.421 1.00 22.13 H new ATOM 0 HG21 THR A 68 6.662 -9.738 -4.973 1.00 42.11 H new ATOM 0 HG22 THR A 68 6.655 -8.890 -3.409 1.00 42.11 H new ATOM 0 HG23 THR A 68 7.520 -8.189 -4.797 1.00 42.11 H new ATOM 1030 N GLY A 69 10.260 -10.740 -1.499 1.00 33.44 N ATOM 1031 CA GLY A 69 11.276 -11.653 -1.014 1.00 15.13 C ATOM 1032 C GLY A 69 12.264 -11.000 -0.078 1.00 53.00 C ATOM 1033 O GLY A 69 13.395 -11.478 0.078 1.00 73.04 O ATOM 0 H GLY A 69 9.342 -10.861 -1.071 1.00 33.44 H new ATOM 0 HA2 GLY A 69 10.793 -12.484 -0.500 1.00 15.13 H new ATOM 0 HA3 GLY A 69 11.814 -12.073 -1.864 1.00 15.13 H new ATOM 1037 N VAL A 70 11.854 -9.923 0.542 1.00 4.13 N ATOM 1038 CA VAL A 70 12.702 -9.224 1.472 1.00 72.43 C ATOM 1039 C VAL A 70 12.605 -9.908 2.828 1.00 65.22 C ATOM 1040 O VAL A 70 11.508 -10.160 3.320 1.00 3.14 O ATOM 1041 CB VAL A 70 12.284 -7.737 1.606 1.00 71.02 C ATOM 1042 CG1 VAL A 70 13.192 -7.004 2.564 1.00 53.23 C ATOM 1043 CG2 VAL A 70 12.278 -7.050 0.245 1.00 25.41 C ATOM 0 H VAL A 70 10.930 -9.509 0.418 1.00 4.13 H new ATOM 0 HA VAL A 70 13.727 -9.251 1.103 1.00 72.43 H new ATOM 0 HB VAL A 70 11.271 -7.710 2.008 1.00 71.02 H new ATOM 0 HG11 VAL A 70 12.877 -5.963 2.640 1.00 53.23 H new ATOM 0 HG12 VAL A 70 13.138 -7.472 3.547 1.00 53.23 H new ATOM 0 HG13 VAL A 70 14.218 -7.047 2.198 1.00 53.23 H new ATOM 0 HG21 VAL A 70 11.982 -6.008 0.365 1.00 25.41 H new ATOM 0 HG22 VAL A 70 13.276 -7.096 -0.190 1.00 25.41 H new ATOM 0 HG23 VAL A 70 11.572 -7.555 -0.414 1.00 25.41 H new ATOM 1053 N SER A 71 13.714 -10.234 3.421 1.00 5.24 N ATOM 1054 CA SER A 71 13.674 -10.897 4.692 1.00 52.43 C ATOM 1055 C SER A 71 13.561 -9.848 5.790 1.00 21.32 C ATOM 1056 O SER A 71 13.851 -8.674 5.553 1.00 54.03 O ATOM 1057 CB SER A 71 14.917 -11.735 4.868 1.00 42.54 C ATOM 1058 OG SER A 71 15.159 -12.513 3.701 1.00 64.30 O ATOM 0 H SER A 71 14.648 -10.055 3.052 1.00 5.24 H new ATOM 0 HA SER A 71 12.810 -11.559 4.746 1.00 52.43 H new ATOM 0 HB2 SER A 71 15.773 -11.090 5.067 1.00 42.54 H new ATOM 0 HB3 SER A 71 14.803 -12.389 5.732 1.00 42.54 H new ATOM 0 HG SER A 71 15.930 -12.148 3.218 1.00 64.30 H new ATOM 1064 N ASP A 72 13.130 -10.265 6.960 1.00 63.55 N ATOM 1065 CA ASP A 72 12.931 -9.368 8.127 1.00 70.04 C ATOM 1066 C ASP A 72 14.180 -8.534 8.424 1.00 70.31 C ATOM 1067 O ASP A 72 14.094 -7.345 8.758 1.00 11.54 O ATOM 1068 CB ASP A 72 12.550 -10.193 9.366 1.00 52.31 C ATOM 1069 CG ASP A 72 12.262 -9.340 10.588 1.00 72.42 C ATOM 1070 OD1 ASP A 72 11.095 -8.937 10.776 1.00 62.24 O ATOM 1071 OD2 ASP A 72 13.190 -9.071 11.379 1.00 12.42 O ATOM 0 H ASP A 72 12.900 -11.240 7.152 1.00 63.55 H new ATOM 0 HA ASP A 72 12.122 -8.681 7.880 1.00 70.04 H new ATOM 0 HB2 ASP A 72 11.671 -10.796 9.137 1.00 52.31 H new ATOM 0 HB3 ASP A 72 13.360 -10.885 9.597 1.00 52.31 H new ATOM 1076 N ALA A 73 15.330 -9.145 8.261 1.00 3.12 N ATOM 1077 CA ALA A 73 16.595 -8.477 8.498 1.00 34.22 C ATOM 1078 C ALA A 73 16.868 -7.404 7.442 1.00 21.44 C ATOM 1079 O ALA A 73 17.215 -6.263 7.779 1.00 31.54 O ATOM 1080 CB ALA A 73 17.727 -9.479 8.557 1.00 34.32 C ATOM 0 H ALA A 73 15.419 -10.116 7.961 1.00 3.12 H new ATOM 0 HA ALA A 73 16.531 -7.977 9.464 1.00 34.22 H new ATOM 0 HB1 ALA A 73 18.667 -8.956 8.736 1.00 34.32 H new ATOM 0 HB2 ALA A 73 17.545 -10.186 9.367 1.00 34.32 H new ATOM 0 HB3 ALA A 73 17.786 -10.018 7.611 1.00 34.32 H new ATOM 1086 N GLU A 74 16.692 -7.756 6.163 1.00 25.32 N ATOM 1087 CA GLU A 74 16.904 -6.794 5.083 1.00 41.21 C ATOM 1088 C GLU A 74 15.856 -5.694 5.115 1.00 2.51 C ATOM 1089 O GLU A 74 16.137 -4.545 4.764 1.00 30.32 O ATOM 1090 CB GLU A 74 16.918 -7.431 3.681 1.00 22.52 C ATOM 1091 CG GLU A 74 18.045 -8.420 3.385 1.00 44.42 C ATOM 1092 CD GLU A 74 17.876 -9.756 4.044 1.00 32.41 C ATOM 1093 OE1 GLU A 74 17.232 -10.633 3.433 1.00 72.34 O ATOM 1094 OE2 GLU A 74 18.389 -9.964 5.167 1.00 21.43 O ATOM 0 H GLU A 74 16.408 -8.686 5.857 1.00 25.32 H new ATOM 0 HA GLU A 74 17.895 -6.377 5.264 1.00 41.21 H new ATOM 0 HB2 GLU A 74 15.968 -7.944 3.531 1.00 22.52 H new ATOM 0 HB3 GLU A 74 16.967 -6.629 2.944 1.00 22.52 H new ATOM 0 HG2 GLU A 74 18.113 -8.565 2.307 1.00 44.42 H new ATOM 0 HG3 GLU A 74 18.990 -7.984 3.708 1.00 44.42 H new ATOM 1101 N LEU A 75 14.656 -6.053 5.558 1.00 74.02 N ATOM 1102 CA LEU A 75 13.518 -5.136 5.629 1.00 50.22 C ATOM 1103 C LEU A 75 13.855 -3.936 6.503 1.00 51.21 C ATOM 1104 O LEU A 75 13.444 -2.804 6.222 1.00 63.25 O ATOM 1105 CB LEU A 75 12.254 -5.915 6.129 1.00 4.14 C ATOM 1106 CG LEU A 75 10.872 -5.190 6.172 1.00 12.12 C ATOM 1107 CD1 LEU A 75 10.783 -4.163 7.284 1.00 4.34 C ATOM 1108 CD2 LEU A 75 10.575 -4.535 4.835 1.00 63.43 C ATOM 0 H LEU A 75 14.441 -6.996 5.881 1.00 74.02 H new ATOM 0 HA LEU A 75 13.292 -4.742 4.638 1.00 50.22 H new ATOM 0 HB2 LEU A 75 12.141 -6.796 5.496 1.00 4.14 H new ATOM 0 HB3 LEU A 75 12.467 -6.272 7.137 1.00 4.14 H new ATOM 0 HG LEU A 75 10.123 -5.955 6.379 1.00 12.12 H new ATOM 0 HD11 LEU A 75 9.801 -3.691 7.266 1.00 4.34 H new ATOM 0 HD12 LEU A 75 10.932 -4.654 8.246 1.00 4.34 H new ATOM 0 HD13 LEU A 75 11.553 -3.405 7.141 1.00 4.34 H new ATOM 0 HD21 LEU A 75 9.608 -4.034 4.882 1.00 63.43 H new ATOM 0 HD22 LEU A 75 11.351 -3.805 4.607 1.00 63.43 H new ATOM 0 HD23 LEU A 75 10.552 -5.295 4.054 1.00 63.43 H new ATOM 1120 N ASN A 76 14.652 -4.179 7.518 1.00 12.44 N ATOM 1121 CA ASN A 76 15.045 -3.145 8.450 1.00 30.51 C ATOM 1122 C ASN A 76 15.865 -2.054 7.738 1.00 15.12 C ATOM 1123 O ASN A 76 15.808 -0.892 8.117 1.00 63.13 O ATOM 1124 CB ASN A 76 15.859 -3.744 9.613 1.00 31.23 C ATOM 1125 CG ASN A 76 16.138 -2.744 10.736 1.00 45.03 C ATOM 1126 OD1 ASN A 76 17.114 -1.995 10.697 1.00 2.13 O ATOM 1127 ND2 ASN A 76 15.305 -2.750 11.753 1.00 23.53 N ATOM 0 H ASN A 76 15.046 -5.097 7.721 1.00 12.44 H new ATOM 0 HA ASN A 76 14.140 -2.692 8.854 1.00 30.51 H new ATOM 0 HB2 ASN A 76 15.320 -4.598 10.023 1.00 31.23 H new ATOM 0 HB3 ASN A 76 16.807 -4.120 9.228 1.00 31.23 H new ATOM 0 HD21 ASN A 76 15.458 -2.121 12.541 1.00 23.53 H new ATOM 0 HD22 ASN A 76 14.506 -3.384 11.754 1.00 23.53 H new ATOM 1134 N ASN A 77 16.589 -2.423 6.654 1.00 22.11 N ATOM 1135 CA ASN A 77 17.465 -1.453 5.985 1.00 44.51 C ATOM 1136 C ASN A 77 16.613 -0.498 5.186 1.00 60.12 C ATOM 1137 O ASN A 77 16.943 0.675 5.040 1.00 1.53 O ATOM 1138 CB ASN A 77 18.476 -2.133 5.047 1.00 41.51 C ATOM 1139 CG ASN A 77 19.627 -1.202 4.629 1.00 63.22 C ATOM 1140 OD1 ASN A 77 20.668 -1.151 5.290 1.00 23.04 O ATOM 1141 ND2 ASN A 77 19.454 -0.460 3.571 1.00 20.14 N ATOM 0 H ASN A 77 16.581 -3.356 6.241 1.00 22.11 H new ATOM 0 HA ASN A 77 18.031 -0.925 6.753 1.00 44.51 H new ATOM 0 HB2 ASN A 77 18.888 -3.012 5.542 1.00 41.51 H new ATOM 0 HB3 ASN A 77 17.957 -2.484 4.155 1.00 41.51 H new ATOM 0 HD21 ASN A 77 20.189 0.182 3.272 1.00 20.14 H new ATOM 0 HD22 ASN A 77 18.584 -0.521 3.042 1.00 20.14 H new ATOM 1148 N PHE A 78 15.490 -1.013 4.686 1.00 35.43 N ATOM 1149 CA PHE A 78 14.550 -0.210 3.917 1.00 74.13 C ATOM 1150 C PHE A 78 13.949 0.861 4.777 1.00 21.31 C ATOM 1151 O PHE A 78 13.735 1.960 4.333 1.00 61.03 O ATOM 1152 CB PHE A 78 13.442 -1.063 3.291 1.00 74.35 C ATOM 1153 CG PHE A 78 13.920 -1.985 2.231 1.00 34.50 C ATOM 1154 CD1 PHE A 78 14.000 -1.565 0.923 1.00 4.33 C ATOM 1155 CD2 PHE A 78 14.293 -3.262 2.535 1.00 74.34 C ATOM 1156 CE1 PHE A 78 14.454 -2.414 -0.056 1.00 24.32 C ATOM 1157 CE2 PHE A 78 14.742 -4.114 1.565 1.00 61.33 C ATOM 1158 CZ PHE A 78 14.828 -3.690 0.266 1.00 54.20 C ATOM 0 H PHE A 78 15.212 -1.987 4.803 1.00 35.43 H new ATOM 0 HA PHE A 78 15.111 0.252 3.104 1.00 74.13 H new ATOM 0 HB2 PHE A 78 12.959 -1.646 4.075 1.00 74.35 H new ATOM 0 HB3 PHE A 78 12.683 -0.404 2.870 1.00 74.35 H new ATOM 0 HD1 PHE A 78 13.703 -0.559 0.664 1.00 4.33 H new ATOM 0 HD2 PHE A 78 14.233 -3.605 3.557 1.00 74.34 H new ATOM 0 HE1 PHE A 78 14.516 -2.075 -1.079 1.00 24.32 H new ATOM 0 HE2 PHE A 78 15.029 -5.123 1.823 1.00 61.33 H new ATOM 0 HZ PHE A 78 15.189 -4.359 -0.501 1.00 54.20 H new ATOM 1168 N ASP A 79 13.711 0.535 6.017 1.00 31.32 N ATOM 1169 CA ASP A 79 13.127 1.478 6.958 1.00 10.23 C ATOM 1170 C ASP A 79 14.126 2.612 7.261 1.00 33.20 C ATOM 1171 O ASP A 79 13.742 3.760 7.531 1.00 1.24 O ATOM 1172 CB ASP A 79 12.718 0.741 8.243 1.00 73.32 C ATOM 1173 CG ASP A 79 11.990 1.621 9.231 1.00 70.41 C ATOM 1174 OD1 ASP A 79 10.760 1.785 9.097 1.00 4.21 O ATOM 1175 OD2 ASP A 79 12.622 2.140 10.170 1.00 71.20 O ATOM 0 H ASP A 79 13.911 -0.384 6.412 1.00 31.32 H new ATOM 0 HA ASP A 79 12.235 1.925 6.519 1.00 10.23 H new ATOM 0 HB2 ASP A 79 12.081 -0.104 7.982 1.00 73.32 H new ATOM 0 HB3 ASP A 79 13.610 0.333 8.719 1.00 73.32 H new ATOM 1180 N VAL A 80 15.409 2.273 7.222 1.00 62.41 N ATOM 1181 CA VAL A 80 16.475 3.237 7.463 1.00 62.21 C ATOM 1182 C VAL A 80 16.701 4.179 6.255 1.00 51.20 C ATOM 1183 O VAL A 80 16.818 5.403 6.424 1.00 4.14 O ATOM 1184 CB VAL A 80 17.808 2.524 7.825 1.00 60.32 C ATOM 1185 CG1 VAL A 80 18.914 3.533 8.126 1.00 2.44 C ATOM 1186 CG2 VAL A 80 17.610 1.591 9.005 1.00 20.30 C ATOM 0 H VAL A 80 15.738 1.328 7.024 1.00 62.41 H new ATOM 0 HA VAL A 80 16.152 3.844 8.309 1.00 62.21 H new ATOM 0 HB VAL A 80 18.115 1.936 6.960 1.00 60.32 H new ATOM 0 HG11 VAL A 80 19.833 3.002 8.376 1.00 2.44 H new ATOM 0 HG12 VAL A 80 19.083 4.159 7.250 1.00 2.44 H new ATOM 0 HG13 VAL A 80 18.617 4.159 8.968 1.00 2.44 H new ATOM 0 HG21 VAL A 80 18.554 1.101 9.244 1.00 20.30 H new ATOM 0 HG22 VAL A 80 17.270 2.163 9.868 1.00 20.30 H new ATOM 0 HG23 VAL A 80 16.864 0.838 8.752 1.00 20.30 H new ATOM 1196 N ILE A 81 16.722 3.620 5.048 1.00 32.15 N ATOM 1197 CA ILE A 81 17.030 4.404 3.844 1.00 54.53 C ATOM 1198 C ILE A 81 15.889 5.350 3.461 1.00 1.34 C ATOM 1199 O ILE A 81 14.768 4.924 3.199 1.00 3.24 O ATOM 1200 CB ILE A 81 17.449 3.513 2.623 1.00 10.15 C ATOM 1201 CG1 ILE A 81 17.779 4.385 1.392 1.00 2.42 C ATOM 1202 CG2 ILE A 81 16.368 2.495 2.289 1.00 3.02 C ATOM 1203 CD1 ILE A 81 18.222 3.603 0.169 1.00 63.14 C ATOM 0 H ILE A 81 16.531 2.633 4.873 1.00 32.15 H new ATOM 0 HA ILE A 81 17.895 5.012 4.107 1.00 54.53 H new ATOM 0 HB ILE A 81 18.349 2.966 2.904 1.00 10.15 H new ATOM 0 HG12 ILE A 81 16.899 4.973 1.133 1.00 2.42 H new ATOM 0 HG13 ILE A 81 18.565 5.090 1.662 1.00 2.42 H new ATOM 0 HG21 ILE A 81 16.686 1.892 1.439 1.00 3.02 H new ATOM 0 HG22 ILE A 81 16.199 1.848 3.150 1.00 3.02 H new ATOM 0 HG23 ILE A 81 15.443 3.015 2.039 1.00 3.02 H new ATOM 0 HD11 ILE A 81 18.433 4.293 -0.648 1.00 63.14 H new ATOM 0 HD12 ILE A 81 19.122 3.036 0.406 1.00 63.14 H new ATOM 0 HD13 ILE A 81 17.430 2.917 -0.131 1.00 63.14 H new ATOM 1215 N GLU A 82 16.198 6.650 3.489 1.00 52.25 N ATOM 1216 CA GLU A 82 15.269 7.743 3.138 1.00 71.31 C ATOM 1217 C GLU A 82 14.012 7.799 4.016 1.00 12.22 C ATOM 1218 O GLU A 82 13.147 8.639 3.815 1.00 3.11 O ATOM 1219 CB GLU A 82 14.900 7.722 1.653 1.00 45.55 C ATOM 1220 CG GLU A 82 16.090 7.886 0.730 1.00 65.03 C ATOM 1221 CD GLU A 82 15.692 7.980 -0.713 1.00 61.42 C ATOM 1222 OE1 GLU A 82 15.544 6.943 -1.370 1.00 15.41 O ATOM 1223 OE2 GLU A 82 15.534 9.115 -1.225 1.00 75.40 O ATOM 0 H GLU A 82 17.122 6.986 3.762 1.00 52.25 H new ATOM 0 HA GLU A 82 15.821 8.660 3.343 1.00 71.31 H new ATOM 0 HB2 GLU A 82 14.401 6.780 1.425 1.00 45.55 H new ATOM 0 HB3 GLU A 82 14.184 8.519 1.454 1.00 45.55 H new ATOM 0 HG2 GLU A 82 16.641 8.784 1.010 1.00 65.03 H new ATOM 0 HG3 GLU A 82 16.767 7.042 0.862 1.00 65.03 H new ATOM 1230 N GLY A 83 13.931 6.934 4.997 1.00 12.20 N ATOM 1231 CA GLY A 83 12.798 6.915 5.871 1.00 35.42 C ATOM 1232 C GLY A 83 13.065 7.689 7.129 1.00 10.41 C ATOM 1233 O GLY A 83 12.900 7.176 8.220 1.00 53.33 O ATOM 0 H GLY A 83 14.643 6.234 5.206 1.00 12.20 H new ATOM 0 HA2 GLY A 83 11.934 7.337 5.358 1.00 35.42 H new ATOM 0 HA3 GLY A 83 12.547 5.884 6.122 1.00 35.42 H new ATOM 1237 N ASN A 84 13.481 8.928 6.982 1.00 2.41 N ATOM 1238 CA ASN A 84 13.821 9.750 8.134 1.00 53.43 C ATOM 1239 C ASN A 84 12.575 10.366 8.744 1.00 62.43 C ATOM 1240 O ASN A 84 12.436 10.429 9.961 1.00 2.44 O ATOM 1241 CB ASN A 84 14.847 10.832 7.765 1.00 45.41 C ATOM 1242 CG ASN A 84 15.304 11.648 8.966 1.00 41.30 C ATOM 1243 OD1 ASN A 84 16.256 11.271 9.656 1.00 42.05 O ATOM 1244 ND2 ASN A 84 14.675 12.772 9.207 1.00 2.41 N ATOM 0 H ASN A 84 13.593 9.392 6.081 1.00 2.41 H new ATOM 0 HA ASN A 84 14.280 9.103 8.881 1.00 53.43 H new ATOM 0 HB2 ASN A 84 15.714 10.361 7.301 1.00 45.41 H new ATOM 0 HB3 ASN A 84 14.412 11.500 7.022 1.00 45.41 H new ATOM 0 HD21 ASN A 84 14.968 13.364 9.984 1.00 2.41 H new ATOM 0 HD22 ASN A 84 13.892 13.055 8.618 1.00 2.41 H new ATOM 1251 N ASP A 85 11.664 10.816 7.902 1.00 4.41 N ATOM 1252 CA ASP A 85 10.418 11.405 8.392 1.00 3.55 C ATOM 1253 C ASP A 85 9.268 10.575 7.851 1.00 32.21 C ATOM 1254 O ASP A 85 8.138 11.035 7.682 1.00 23.12 O ATOM 1255 CB ASP A 85 10.306 12.856 7.940 1.00 23.32 C ATOM 1256 CG ASP A 85 9.365 13.683 8.810 1.00 5.41 C ATOM 1257 OD1 ASP A 85 9.764 14.032 9.951 1.00 23.42 O ATOM 1258 OD2 ASP A 85 8.244 14.009 8.384 1.00 54.14 O ATOM 0 H ASP A 85 11.755 10.789 6.886 1.00 4.41 H new ATOM 0 HA ASP A 85 10.395 11.402 9.482 1.00 3.55 H new ATOM 0 HB2 ASP A 85 11.296 13.311 7.952 1.00 23.32 H new ATOM 0 HB3 ASP A 85 9.955 12.883 6.908 1.00 23.32 H new ATOM 1263 N TYR A 86 9.559 9.324 7.638 1.00 75.25 N ATOM 1264 CA TYR A 86 8.588 8.389 7.165 1.00 74.02 C ATOM 1265 C TYR A 86 8.313 7.357 8.232 1.00 32.32 C ATOM 1266 O TYR A 86 9.100 7.198 9.186 1.00 43.21 O ATOM 1267 CB TYR A 86 9.050 7.645 5.899 1.00 34.01 C ATOM 1268 CG TYR A 86 9.040 8.427 4.602 1.00 64.14 C ATOM 1269 CD1 TYR A 86 7.895 8.471 3.828 1.00 64.30 C ATOM 1270 CD2 TYR A 86 10.162 9.072 4.129 1.00 63.53 C ATOM 1271 CE1 TYR A 86 7.859 9.137 2.630 1.00 44.43 C ATOM 1272 CE2 TYR A 86 10.143 9.742 2.918 1.00 73.50 C ATOM 1273 CZ TYR A 86 8.983 9.768 2.176 1.00 42.22 C ATOM 1274 OH TYR A 86 8.951 10.421 0.975 1.00 21.02 O ATOM 0 H TYR A 86 10.485 8.924 7.790 1.00 75.25 H new ATOM 0 HA TYR A 86 7.694 8.963 6.923 1.00 74.02 H new ATOM 0 HB2 TYR A 86 10.064 7.283 6.069 1.00 34.01 H new ATOM 0 HB3 TYR A 86 8.416 6.768 5.771 1.00 34.01 H new ATOM 0 HD1 TYR A 86 7.005 7.967 4.176 1.00 64.30 H new ATOM 0 HD2 TYR A 86 11.071 9.054 4.712 1.00 63.53 H new ATOM 0 HE1 TYR A 86 6.949 9.163 2.049 1.00 44.43 H new ATOM 0 HE2 TYR A 86 11.031 10.240 2.558 1.00 73.50 H new ATOM 0 HH TYR A 86 9.714 10.138 0.429 1.00 21.02 H new ATOM 1284 N GLU A 87 7.208 6.696 8.093 1.00 25.42 N ATOM 1285 CA GLU A 87 6.836 5.612 8.947 1.00 2.12 C ATOM 1286 C GLU A 87 6.425 4.444 8.068 1.00 51.11 C ATOM 1287 O GLU A 87 5.826 4.641 6.991 1.00 75.45 O ATOM 1288 CB GLU A 87 5.695 6.023 9.917 1.00 33.42 C ATOM 1289 CG GLU A 87 4.400 6.430 9.229 1.00 64.11 C ATOM 1290 CD GLU A 87 3.318 6.904 10.180 1.00 50.43 C ATOM 1291 OE1 GLU A 87 2.665 6.064 10.835 1.00 62.20 O ATOM 1292 OE2 GLU A 87 3.076 8.125 10.261 1.00 54.42 O ATOM 0 H GLU A 87 6.523 6.899 7.365 1.00 25.42 H new ATOM 0 HA GLU A 87 7.681 5.324 9.573 1.00 2.12 H new ATOM 0 HB2 GLU A 87 5.489 5.190 10.589 1.00 33.42 H new ATOM 0 HB3 GLU A 87 6.040 6.853 10.534 1.00 33.42 H new ATOM 0 HG2 GLU A 87 4.615 7.225 8.514 1.00 64.11 H new ATOM 0 HG3 GLU A 87 4.022 5.582 8.659 1.00 64.11 H new ATOM 1299 N ARG A 88 6.779 3.262 8.481 1.00 52.13 N ATOM 1300 CA ARG A 88 6.435 2.076 7.760 1.00 15.44 C ATOM 1301 C ARG A 88 5.027 1.638 8.080 1.00 74.51 C ATOM 1302 O ARG A 88 4.684 1.398 9.244 1.00 52.15 O ATOM 1303 CB ARG A 88 7.424 0.967 8.058 1.00 5.13 C ATOM 1304 CG ARG A 88 7.048 -0.343 7.413 1.00 51.25 C ATOM 1305 CD ARG A 88 8.144 -1.346 7.536 1.00 42.13 C ATOM 1306 NE ARG A 88 8.590 -1.550 8.924 1.00 31.44 N ATOM 1307 CZ ARG A 88 8.533 -2.709 9.596 1.00 54.23 C ATOM 1308 NH1 ARG A 88 7.795 -3.722 9.139 1.00 61.11 N ATOM 1309 NH2 ARG A 88 9.168 -2.825 10.761 1.00 64.22 N ATOM 0 H ARG A 88 7.317 3.095 9.331 1.00 52.13 H new ATOM 0 HA ARG A 88 6.482 2.301 6.694 1.00 15.44 H new ATOM 0 HB2 ARG A 88 8.413 1.266 7.711 1.00 5.13 H new ATOM 0 HB3 ARG A 88 7.493 0.829 9.137 1.00 5.13 H new ATOM 0 HG2 ARG A 88 6.143 -0.733 7.879 1.00 51.25 H new ATOM 0 HG3 ARG A 88 6.820 -0.179 6.360 1.00 51.25 H new ATOM 0 HD2 ARG A 88 7.805 -2.298 7.127 1.00 42.13 H new ATOM 0 HD3 ARG A 88 8.992 -1.024 6.932 1.00 42.13 H new ATOM 0 HE ARG A 88 8.974 -0.743 9.415 1.00 31.44 H new ATOM 0 HH11 ARG A 88 7.268 -3.619 8.272 1.00 61.11 H new ATOM 0 HH12 ARG A 88 7.758 -4.600 9.657 1.00 61.11 H new ATOM 0 HH21 ARG A 88 9.693 -2.035 11.136 1.00 64.22 H new ATOM 0 HH22 ARG A 88 9.129 -3.704 11.278 1.00 64.22 H new ATOM 1323 N VAL A 89 4.214 1.557 7.062 1.00 10.00 N ATOM 1324 CA VAL A 89 2.838 1.122 7.189 1.00 2.13 C ATOM 1325 C VAL A 89 2.534 0.058 6.172 1.00 75.54 C ATOM 1326 O VAL A 89 3.248 -0.076 5.164 1.00 35.20 O ATOM 1327 CB VAL A 89 1.817 2.269 7.014 1.00 23.53 C ATOM 1328 CG1 VAL A 89 1.926 3.288 8.134 1.00 53.53 C ATOM 1329 CG2 VAL A 89 1.998 2.942 5.668 1.00 62.41 C ATOM 0 H VAL A 89 4.486 1.793 6.107 1.00 10.00 H new ATOM 0 HA VAL A 89 2.738 0.735 8.203 1.00 2.13 H new ATOM 0 HB VAL A 89 0.819 1.832 7.057 1.00 23.53 H new ATOM 0 HG11 VAL A 89 1.193 4.080 7.978 1.00 53.53 H new ATOM 0 HG12 VAL A 89 1.735 2.800 9.090 1.00 53.53 H new ATOM 0 HG13 VAL A 89 2.928 3.717 8.139 1.00 53.53 H new ATOM 0 HG21 VAL A 89 1.270 3.747 5.563 1.00 62.41 H new ATOM 0 HG22 VAL A 89 3.005 3.352 5.599 1.00 62.41 H new ATOM 0 HG23 VAL A 89 1.848 2.212 4.873 1.00 62.41 H new ATOM 1339 N THR A 90 1.508 -0.694 6.428 1.00 14.33 N ATOM 1340 CA THR A 90 1.088 -1.705 5.526 1.00 14.55 C ATOM 1341 C THR A 90 -0.067 -1.161 4.669 1.00 62.32 C ATOM 1342 O THR A 90 -1.081 -0.698 5.187 1.00 63.23 O ATOM 1343 CB THR A 90 0.643 -2.963 6.300 1.00 23.44 C ATOM 1344 OG1 THR A 90 1.679 -3.346 7.233 1.00 70.04 O ATOM 1345 CG2 THR A 90 0.389 -4.117 5.352 1.00 0.11 C ATOM 0 H THR A 90 0.941 -0.618 7.273 1.00 14.33 H new ATOM 0 HA THR A 90 1.918 -1.985 4.878 1.00 14.55 H new ATOM 0 HB THR A 90 -0.280 -2.730 6.831 1.00 23.44 H new ATOM 0 HG1 THR A 90 1.396 -4.144 7.726 1.00 70.04 H new ATOM 0 HG21 THR A 90 0.076 -4.993 5.921 1.00 0.11 H new ATOM 0 HG22 THR A 90 -0.396 -3.843 4.647 1.00 0.11 H new ATOM 0 HG23 THR A 90 1.304 -4.347 4.805 1.00 0.11 H new ATOM 1353 N VAL A 91 0.107 -1.224 3.384 1.00 65.55 N ATOM 1354 CA VAL A 91 -0.841 -0.710 2.420 1.00 21.50 C ATOM 1355 C VAL A 91 -1.243 -1.836 1.491 1.00 44.10 C ATOM 1356 O VAL A 91 -0.636 -2.902 1.512 1.00 72.50 O ATOM 1357 CB VAL A 91 -0.229 0.470 1.617 1.00 32.01 C ATOM 1358 CG1 VAL A 91 0.084 1.616 2.560 1.00 52.01 C ATOM 1359 CG2 VAL A 91 1.030 0.006 0.883 1.00 5.44 C ATOM 0 H VAL A 91 0.932 -1.644 2.957 1.00 65.55 H new ATOM 0 HA VAL A 91 -1.720 -0.330 2.940 1.00 21.50 H new ATOM 0 HB VAL A 91 -0.946 0.817 0.873 1.00 32.01 H new ATOM 0 HG11 VAL A 91 0.514 2.444 1.996 1.00 52.01 H new ATOM 0 HG12 VAL A 91 -0.833 1.946 3.048 1.00 52.01 H new ATOM 0 HG13 VAL A 91 0.797 1.282 3.314 1.00 52.01 H new ATOM 0 HG21 VAL A 91 1.453 0.840 0.322 1.00 5.44 H new ATOM 0 HG22 VAL A 91 1.762 -0.353 1.607 1.00 5.44 H new ATOM 0 HG23 VAL A 91 0.774 -0.800 0.196 1.00 5.44 H new ATOM 1369 N GLU A 92 -2.223 -1.630 0.691 1.00 3.31 N ATOM 1370 CA GLU A 92 -2.729 -2.702 -0.109 1.00 34.22 C ATOM 1371 C GLU A 92 -2.697 -2.272 -1.584 1.00 20.44 C ATOM 1372 O GLU A 92 -3.319 -1.267 -1.968 1.00 75.32 O ATOM 1373 CB GLU A 92 -4.125 -3.031 0.451 1.00 3.34 C ATOM 1374 CG GLU A 92 -4.704 -4.392 0.126 1.00 54.10 C ATOM 1375 CD GLU A 92 -5.289 -4.488 -1.259 1.00 62.11 C ATOM 1376 OE1 GLU A 92 -6.144 -3.630 -1.605 1.00 44.32 O ATOM 1377 OE2 GLU A 92 -4.950 -5.413 -2.005 1.00 15.04 O ATOM 0 H GLU A 92 -2.695 -0.735 0.567 1.00 3.31 H new ATOM 0 HA GLU A 92 -2.134 -3.614 -0.068 1.00 34.22 H new ATOM 0 HB2 GLU A 92 -4.084 -2.933 1.536 1.00 3.34 H new ATOM 0 HB3 GLU A 92 -4.820 -2.274 0.088 1.00 3.34 H new ATOM 0 HG2 GLU A 92 -3.922 -5.144 0.233 1.00 54.10 H new ATOM 0 HG3 GLU A 92 -5.478 -4.631 0.855 1.00 54.10 H new ATOM 1384 N VAL A 93 -1.974 -3.028 -2.398 1.00 41.34 N ATOM 1385 CA VAL A 93 -1.676 -2.651 -3.769 1.00 54.53 C ATOM 1386 C VAL A 93 -2.085 -3.742 -4.728 1.00 30.41 C ATOM 1387 O VAL A 93 -2.414 -4.844 -4.331 1.00 61.13 O ATOM 1388 CB VAL A 93 -0.135 -2.420 -3.988 1.00 72.31 C ATOM 1389 CG1 VAL A 93 0.418 -1.386 -3.054 1.00 53.44 C ATOM 1390 CG2 VAL A 93 0.660 -3.715 -3.882 1.00 35.34 C ATOM 0 H VAL A 93 -1.576 -3.926 -2.122 1.00 41.34 H new ATOM 0 HA VAL A 93 -2.230 -1.731 -3.955 1.00 54.53 H new ATOM 0 HB VAL A 93 -0.027 -2.044 -5.005 1.00 72.31 H new ATOM 0 HG11 VAL A 93 1.484 -1.260 -3.241 1.00 53.44 H new ATOM 0 HG12 VAL A 93 -0.094 -0.438 -3.217 1.00 53.44 H new ATOM 0 HG13 VAL A 93 0.266 -1.708 -2.024 1.00 53.44 H new ATOM 0 HG21 VAL A 93 1.718 -3.506 -4.040 1.00 35.34 H new ATOM 0 HG22 VAL A 93 0.520 -4.148 -2.892 1.00 35.34 H new ATOM 0 HG23 VAL A 93 0.312 -4.419 -4.638 1.00 35.34 H new ATOM 1400 N VAL A 94 -2.072 -3.417 -5.977 1.00 51.32 N ATOM 1401 CA VAL A 94 -2.340 -4.364 -7.015 1.00 51.01 C ATOM 1402 C VAL A 94 -1.082 -4.635 -7.780 1.00 63.14 C ATOM 1403 O VAL A 94 -0.508 -3.716 -8.358 1.00 64.25 O ATOM 1404 CB VAL A 94 -3.422 -3.841 -7.991 1.00 50.11 C ATOM 1405 CG1 VAL A 94 -3.571 -4.754 -9.211 1.00 30.31 C ATOM 1406 CG2 VAL A 94 -4.736 -3.737 -7.276 1.00 1.33 C ATOM 0 H VAL A 94 -1.873 -2.475 -6.314 1.00 51.32 H new ATOM 0 HA VAL A 94 -2.707 -5.279 -6.550 1.00 51.01 H new ATOM 0 HB VAL A 94 -3.110 -2.858 -8.344 1.00 50.11 H new ATOM 0 HG11 VAL A 94 -4.339 -4.354 -9.873 1.00 30.31 H new ATOM 0 HG12 VAL A 94 -2.622 -4.805 -9.745 1.00 30.31 H new ATOM 0 HG13 VAL A 94 -3.858 -5.754 -8.884 1.00 30.31 H new ATOM 0 HG21 VAL A 94 -5.497 -3.369 -7.964 1.00 1.33 H new ATOM 0 HG22 VAL A 94 -5.027 -4.720 -6.905 1.00 1.33 H new ATOM 0 HG23 VAL A 94 -4.640 -3.047 -6.438 1.00 1.33 H new ATOM 1416 N ARG A 95 -0.633 -5.877 -7.775 1.00 73.41 N ATOM 1417 CA ARG A 95 0.504 -6.241 -8.568 1.00 51.14 C ATOM 1418 C ARG A 95 0.104 -6.308 -9.994 1.00 15.21 C ATOM 1419 O ARG A 95 -0.424 -7.303 -10.444 1.00 73.44 O ATOM 1420 CB ARG A 95 1.218 -7.534 -8.113 1.00 74.42 C ATOM 1421 CG ARG A 95 2.004 -7.359 -6.838 1.00 3.02 C ATOM 1422 CD ARG A 95 2.808 -8.610 -6.441 1.00 52.44 C ATOM 1423 NE ARG A 95 1.985 -9.787 -6.118 1.00 44.34 N ATOM 1424 CZ ARG A 95 2.359 -10.760 -5.257 1.00 44.21 C ATOM 1425 NH1 ARG A 95 3.552 -10.712 -4.665 1.00 63.35 N ATOM 1426 NH2 ARG A 95 1.551 -11.780 -5.003 1.00 10.22 N ATOM 0 H ARG A 95 -1.041 -6.638 -7.232 1.00 73.41 H new ATOM 0 HA ARG A 95 1.251 -5.460 -8.426 1.00 51.14 H new ATOM 0 HB2 ARG A 95 0.477 -8.320 -7.971 1.00 74.42 H new ATOM 0 HB3 ARG A 95 1.890 -7.868 -8.904 1.00 74.42 H new ATOM 0 HG2 ARG A 95 2.688 -6.518 -6.954 1.00 3.02 H new ATOM 0 HG3 ARG A 95 1.319 -7.104 -6.029 1.00 3.02 H new ATOM 0 HD2 ARG A 95 3.483 -8.867 -7.258 1.00 52.44 H new ATOM 0 HD3 ARG A 95 3.429 -8.369 -5.578 1.00 52.44 H new ATOM 0 HE ARG A 95 1.076 -9.874 -6.572 1.00 44.34 H new ATOM 0 HH11 ARG A 95 4.188 -9.939 -4.861 1.00 63.35 H new ATOM 0 HH12 ARG A 95 3.829 -11.449 -4.016 1.00 63.35 H new ATOM 0 HH21 ARG A 95 0.640 -11.835 -5.458 1.00 10.22 H new ATOM 0 HH22 ARG A 95 1.840 -12.510 -4.352 1.00 10.22 H new ATOM 1440 N MET A 96 0.336 -5.203 -10.673 1.00 42.23 N ATOM 1441 CA MET A 96 0.018 -4.962 -12.078 1.00 42.11 C ATOM 1442 C MET A 96 0.491 -6.120 -12.939 1.00 14.40 C ATOM 1443 O MET A 96 -0.166 -6.490 -13.910 1.00 11.40 O ATOM 1444 CB MET A 96 0.689 -3.620 -12.475 1.00 1.12 C ATOM 1445 CG MET A 96 0.475 -3.109 -13.899 1.00 1.31 C ATOM 1446 SD MET A 96 1.324 -4.062 -15.184 1.00 75.04 S ATOM 1447 CE MET A 96 0.839 -3.150 -16.648 1.00 73.01 C ATOM 0 H MET A 96 0.779 -4.395 -10.237 1.00 42.23 H new ATOM 0 HA MET A 96 -1.059 -4.892 -12.234 1.00 42.11 H new ATOM 0 HB2 MET A 96 0.335 -2.852 -11.787 1.00 1.12 H new ATOM 0 HB3 MET A 96 1.762 -3.722 -12.314 1.00 1.12 H new ATOM 0 HG2 MET A 96 -0.594 -3.109 -14.113 1.00 1.31 H new ATOM 0 HG3 MET A 96 0.811 -2.073 -13.953 1.00 1.31 H new ATOM 0 HE1 MET A 96 1.283 -3.613 -17.529 1.00 73.01 H new ATOM 0 HE2 MET A 96 -0.247 -3.161 -16.740 1.00 73.01 H new ATOM 0 HE3 MET A 96 1.186 -2.120 -16.566 1.00 73.01 H new ATOM 1457 N ASP A 97 1.599 -6.714 -12.533 1.00 20.14 N ATOM 1458 CA ASP A 97 2.185 -7.867 -13.217 1.00 41.13 C ATOM 1459 C ASP A 97 1.177 -9.038 -13.350 1.00 5.32 C ATOM 1460 O ASP A 97 1.117 -9.700 -14.390 1.00 14.34 O ATOM 1461 CB ASP A 97 3.433 -8.330 -12.456 1.00 4.13 C ATOM 1462 CG ASP A 97 4.111 -9.525 -13.092 1.00 64.10 C ATOM 1463 OD1 ASP A 97 3.773 -10.662 -12.744 1.00 24.10 O ATOM 1464 OD2 ASP A 97 5.003 -9.335 -13.940 1.00 15.43 O ATOM 0 H ASP A 97 2.126 -6.412 -11.714 1.00 20.14 H new ATOM 0 HA ASP A 97 2.457 -7.558 -14.226 1.00 41.13 H new ATOM 0 HB2 ASP A 97 4.143 -7.505 -12.400 1.00 4.13 H new ATOM 0 HB3 ASP A 97 3.154 -8.581 -11.433 1.00 4.13 H new ATOM 1469 N ASN A 98 0.370 -9.258 -12.312 1.00 72.04 N ATOM 1470 CA ASN A 98 -0.601 -10.379 -12.299 1.00 15.10 C ATOM 1471 C ASN A 98 -2.048 -9.819 -12.261 1.00 44.21 C ATOM 1472 O ASN A 98 -3.014 -10.537 -12.479 1.00 4.31 O ATOM 1473 CB ASN A 98 -0.341 -11.226 -11.018 1.00 43.42 C ATOM 1474 CG ASN A 98 -1.078 -12.586 -10.927 1.00 3.10 C ATOM 1475 OD1 ASN A 98 -2.142 -12.802 -11.486 1.00 3.33 O ATOM 1476 ND2 ASN A 98 -0.510 -13.497 -10.179 1.00 14.51 N ATOM 0 H ASN A 98 0.361 -8.685 -11.468 1.00 72.04 H new ATOM 0 HA ASN A 98 -0.483 -10.990 -13.194 1.00 15.10 H new ATOM 0 HB2 ASN A 98 0.730 -11.413 -10.944 1.00 43.42 H new ATOM 0 HB3 ASN A 98 -0.621 -10.628 -10.151 1.00 43.42 H new ATOM 0 HD21 ASN A 98 -0.956 -14.406 -10.055 1.00 14.51 H new ATOM 0 HD22 ASN A 98 0.379 -13.298 -9.720 1.00 14.51 H new ATOM 1483 N SER A 99 -2.160 -8.509 -12.026 1.00 14.50 N ATOM 1484 CA SER A 99 -3.446 -7.807 -11.856 1.00 35.24 C ATOM 1485 C SER A 99 -4.134 -8.265 -10.539 1.00 62.43 C ATOM 1486 O SER A 99 -5.345 -8.101 -10.349 1.00 2.12 O ATOM 1487 CB SER A 99 -4.362 -8.003 -13.100 1.00 10.21 C ATOM 1488 OG SER A 99 -5.603 -7.322 -12.956 1.00 2.21 O ATOM 0 H SER A 99 -1.351 -7.893 -11.946 1.00 14.50 H new ATOM 0 HA SER A 99 -3.256 -6.737 -11.776 1.00 35.24 H new ATOM 0 HB2 SER A 99 -3.849 -7.639 -13.990 1.00 10.21 H new ATOM 0 HB3 SER A 99 -4.547 -9.067 -13.251 1.00 10.21 H new ATOM 0 HG SER A 99 -5.830 -7.252 -12.005 1.00 2.21 H new ATOM 1494 N GLU A 100 -3.336 -8.777 -9.618 1.00 43.43 N ATOM 1495 CA GLU A 100 -3.838 -9.289 -8.359 1.00 73.31 C ATOM 1496 C GLU A 100 -3.695 -8.224 -7.287 1.00 41.25 C ATOM 1497 O GLU A 100 -2.905 -7.304 -7.426 1.00 43.42 O ATOM 1498 CB GLU A 100 -3.024 -10.496 -7.932 1.00 75.22 C ATOM 1499 CG GLU A 100 -1.629 -10.108 -7.513 1.00 54.10 C ATOM 1500 CD GLU A 100 -0.755 -11.248 -7.133 1.00 1.43 C ATOM 1501 OE1 GLU A 100 -0.927 -11.800 -6.038 1.00 72.35 O ATOM 1502 OE2 GLU A 100 0.144 -11.570 -7.892 1.00 65.31 O ATOM 0 H GLU A 100 -2.324 -8.849 -9.723 1.00 43.43 H new ATOM 0 HA GLU A 100 -4.884 -9.567 -8.486 1.00 73.31 H new ATOM 0 HB2 GLU A 100 -3.526 -10.999 -7.105 1.00 75.22 H new ATOM 0 HB3 GLU A 100 -2.972 -11.209 -8.755 1.00 75.22 H new ATOM 0 HG2 GLU A 100 -1.157 -9.563 -8.331 1.00 54.10 H new ATOM 0 HG3 GLU A 100 -1.696 -9.422 -6.669 1.00 54.10 H new ATOM 1509 N LYS A 101 -4.428 -8.364 -6.240 1.00 32.21 N ATOM 1510 CA LYS A 101 -4.341 -7.467 -5.132 1.00 15.13 C ATOM 1511 C LYS A 101 -3.528 -8.136 -4.026 1.00 52.42 C ATOM 1512 O LYS A 101 -3.712 -9.338 -3.743 1.00 32.25 O ATOM 1513 CB LYS A 101 -5.731 -7.157 -4.635 1.00 5.23 C ATOM 1514 CG LYS A 101 -6.667 -6.636 -5.710 1.00 32.12 C ATOM 1515 CD LYS A 101 -8.102 -6.440 -5.226 1.00 41.32 C ATOM 1516 CE LYS A 101 -8.242 -5.375 -4.136 1.00 10.02 C ATOM 1517 NZ LYS A 101 -7.641 -5.746 -2.831 1.00 2.05 N ATOM 0 H LYS A 101 -5.113 -9.110 -6.123 1.00 32.21 H new ATOM 0 HA LYS A 101 -3.855 -6.538 -5.432 1.00 15.13 H new ATOM 0 HB2 LYS A 101 -6.160 -8.059 -4.200 1.00 5.23 H new ATOM 0 HB3 LYS A 101 -5.664 -6.418 -3.836 1.00 5.23 H new ATOM 0 HG2 LYS A 101 -6.285 -5.686 -6.084 1.00 32.12 H new ATOM 0 HG3 LYS A 101 -6.667 -7.332 -6.549 1.00 32.12 H new ATOM 0 HD2 LYS A 101 -8.728 -6.164 -6.074 1.00 41.32 H new ATOM 0 HD3 LYS A 101 -8.481 -7.389 -4.846 1.00 41.32 H new ATOM 0 HE2 LYS A 101 -7.779 -4.452 -4.486 1.00 10.02 H new ATOM 0 HE3 LYS A 101 -9.301 -5.163 -3.987 1.00 10.02 H new ATOM 0 HZ1 LYS A 101 -8.227 -5.369 -2.059 1.00 2.05 H new ATOM 0 HZ2 LYS A 101 -7.591 -6.782 -2.754 1.00 2.05 H new ATOM 0 HZ3 LYS A 101 -6.683 -5.347 -2.764 1.00 2.05 H new ATOM 1531 N VAL A 102 -2.628 -7.399 -3.429 1.00 42.34 N ATOM 1532 CA VAL A 102 -1.776 -7.919 -2.382 1.00 20.30 C ATOM 1533 C VAL A 102 -1.480 -6.825 -1.340 1.00 2.21 C ATOM 1534 O VAL A 102 -1.364 -5.641 -1.674 1.00 61.13 O ATOM 1535 CB VAL A 102 -0.450 -8.514 -2.967 1.00 32.12 C ATOM 1536 CG1 VAL A 102 0.374 -7.455 -3.672 1.00 73.21 C ATOM 1537 CG2 VAL A 102 0.373 -9.231 -1.899 1.00 53.21 C ATOM 0 H VAL A 102 -2.462 -6.418 -3.653 1.00 42.34 H new ATOM 0 HA VAL A 102 -2.306 -8.733 -1.887 1.00 20.30 H new ATOM 0 HB VAL A 102 -0.739 -9.258 -3.709 1.00 32.12 H new ATOM 0 HG11 VAL A 102 1.286 -7.905 -4.064 1.00 73.21 H new ATOM 0 HG12 VAL A 102 -0.204 -7.031 -4.493 1.00 73.21 H new ATOM 0 HG13 VAL A 102 0.634 -6.666 -2.966 1.00 73.21 H new ATOM 0 HG21 VAL A 102 1.284 -9.628 -2.347 1.00 53.21 H new ATOM 0 HG22 VAL A 102 0.635 -8.528 -1.108 1.00 53.21 H new ATOM 0 HG23 VAL A 102 -0.211 -10.049 -1.478 1.00 53.21 H new ATOM 1547 N LYS A 103 -1.374 -7.223 -0.104 1.00 53.44 N ATOM 1548 CA LYS A 103 -1.100 -6.318 0.976 1.00 43.00 C ATOM 1549 C LYS A 103 0.442 -6.259 1.183 1.00 13.40 C ATOM 1550 O LYS A 103 1.087 -7.293 1.378 1.00 3.30 O ATOM 1551 CB LYS A 103 -1.812 -6.845 2.231 1.00 74.32 C ATOM 1552 CG LYS A 103 -1.754 -5.939 3.427 1.00 40.44 C ATOM 1553 CD LYS A 103 -2.664 -4.739 3.308 1.00 12.20 C ATOM 1554 CE LYS A 103 -4.128 -5.127 3.445 1.00 54.10 C ATOM 1555 NZ LYS A 103 -4.438 -5.726 4.766 1.00 51.32 N ATOM 0 H LYS A 103 -1.477 -8.196 0.185 1.00 53.44 H new ATOM 0 HA LYS A 103 -1.461 -5.312 0.764 1.00 43.00 H new ATOM 0 HB2 LYS A 103 -2.858 -7.029 1.985 1.00 74.32 H new ATOM 0 HB3 LYS A 103 -1.374 -7.806 2.501 1.00 74.32 H new ATOM 0 HG2 LYS A 103 -2.025 -6.506 4.318 1.00 40.44 H new ATOM 0 HG3 LYS A 103 -0.728 -5.597 3.567 1.00 40.44 H new ATOM 0 HD2 LYS A 103 -2.407 -4.010 4.077 1.00 12.20 H new ATOM 0 HD3 LYS A 103 -2.504 -4.255 2.344 1.00 12.20 H new ATOM 0 HE2 LYS A 103 -4.750 -4.244 3.296 1.00 54.10 H new ATOM 0 HE3 LYS A 103 -4.387 -5.836 2.659 1.00 54.10 H new ATOM 0 HZ1 LYS A 103 -5.463 -5.677 4.938 1.00 51.32 H new ATOM 0 HZ2 LYS A 103 -4.133 -6.720 4.777 1.00 51.32 H new ATOM 0 HZ3 LYS A 103 -3.936 -5.202 5.511 1.00 51.32 H new ATOM 1569 N VAL A 104 1.016 -5.059 1.124 1.00 70.10 N ATOM 1570 CA VAL A 104 2.485 -4.865 1.209 1.00 11.55 C ATOM 1571 C VAL A 104 2.824 -3.680 2.127 1.00 73.41 C ATOM 1572 O VAL A 104 1.940 -2.996 2.599 1.00 3.10 O ATOM 1573 CB VAL A 104 3.113 -4.601 -0.196 1.00 72.12 C ATOM 1574 CG1 VAL A 104 2.856 -5.757 -1.149 1.00 61.32 C ATOM 1575 CG2 VAL A 104 2.585 -3.307 -0.790 1.00 72.20 C ATOM 0 H VAL A 104 0.491 -4.191 1.017 1.00 70.10 H new ATOM 0 HA VAL A 104 2.902 -5.785 1.618 1.00 11.55 H new ATOM 0 HB VAL A 104 4.190 -4.510 -0.057 1.00 72.12 H new ATOM 0 HG11 VAL A 104 3.307 -5.538 -2.117 1.00 61.32 H new ATOM 0 HG12 VAL A 104 3.294 -6.668 -0.742 1.00 61.32 H new ATOM 0 HG13 VAL A 104 1.782 -5.895 -1.273 1.00 61.32 H new ATOM 0 HG21 VAL A 104 3.037 -3.145 -1.769 1.00 72.20 H new ATOM 0 HG22 VAL A 104 1.502 -3.371 -0.897 1.00 72.20 H new ATOM 0 HG23 VAL A 104 2.836 -2.475 -0.132 1.00 72.20 H new ATOM 1585 N GLU A 105 4.092 -3.442 2.370 1.00 45.35 N ATOM 1586 CA GLU A 105 4.504 -2.334 3.230 1.00 42.11 C ATOM 1587 C GLU A 105 5.104 -1.203 2.413 1.00 61.02 C ATOM 1588 O GLU A 105 5.610 -1.431 1.320 1.00 71.53 O ATOM 1589 CB GLU A 105 5.464 -2.814 4.295 1.00 74.13 C ATOM 1590 CG GLU A 105 4.843 -3.854 5.196 1.00 42.44 C ATOM 1591 CD GLU A 105 5.770 -4.335 6.258 1.00 65.41 C ATOM 1592 OE1 GLU A 105 6.487 -5.305 6.027 1.00 41.41 O ATOM 1593 OE2 GLU A 105 5.767 -3.765 7.360 1.00 64.44 O ATOM 0 H GLU A 105 4.861 -3.994 1.990 1.00 45.35 H new ATOM 0 HA GLU A 105 3.618 -1.942 3.730 1.00 42.11 H new ATOM 0 HB2 GLU A 105 6.352 -3.231 3.820 1.00 74.13 H new ATOM 0 HB3 GLU A 105 5.792 -1.965 4.895 1.00 74.13 H new ATOM 0 HG2 GLU A 105 3.951 -3.436 5.663 1.00 42.44 H new ATOM 0 HG3 GLU A 105 4.519 -4.702 4.593 1.00 42.44 H new ATOM 1600 N THR A 106 5.022 0.010 2.923 1.00 51.32 N ATOM 1601 CA THR A 106 5.507 1.173 2.210 1.00 4.10 C ATOM 1602 C THR A 106 5.871 2.299 3.206 1.00 43.41 C ATOM 1603 O THR A 106 5.692 2.144 4.433 1.00 62.10 O ATOM 1604 CB THR A 106 4.472 1.684 1.176 1.00 34.21 C ATOM 1605 OG1 THR A 106 5.078 2.657 0.295 1.00 53.30 O ATOM 1606 CG2 THR A 106 3.300 2.325 1.892 1.00 70.43 C ATOM 0 H THR A 106 4.620 0.216 3.838 1.00 51.32 H new ATOM 0 HA THR A 106 6.402 0.876 1.663 1.00 4.10 H new ATOM 0 HB THR A 106 4.124 0.835 0.588 1.00 34.21 H new ATOM 0 HG1 THR A 106 5.647 2.198 -0.357 1.00 53.30 H new ATOM 0 HG21 THR A 106 2.577 2.682 1.159 1.00 70.43 H new ATOM 0 HG22 THR A 106 2.825 1.590 2.542 1.00 70.43 H new ATOM 0 HG23 THR A 106 3.654 3.164 2.490 1.00 70.43 H new ATOM 1614 N TYR A 107 6.369 3.402 2.669 1.00 1.53 N ATOM 1615 CA TYR A 107 6.834 4.542 3.437 1.00 30.52 C ATOM 1616 C TYR A 107 5.794 5.658 3.335 1.00 62.51 C ATOM 1617 O TYR A 107 5.493 6.118 2.234 1.00 1.15 O ATOM 1618 CB TYR A 107 8.090 5.142 2.773 1.00 40.52 C ATOM 1619 CG TYR A 107 9.293 4.256 2.561 1.00 14.04 C ATOM 1620 CD1 TYR A 107 9.278 3.221 1.630 1.00 3.32 C ATOM 1621 CD2 TYR A 107 10.470 4.500 3.246 1.00 15.50 C ATOM 1622 CE1 TYR A 107 10.398 2.458 1.400 1.00 42.33 C ATOM 1623 CE2 TYR A 107 11.588 3.737 3.026 1.00 33.13 C ATOM 1624 CZ TYR A 107 11.549 2.718 2.101 1.00 2.54 C ATOM 1625 OH TYR A 107 12.674 1.971 1.867 1.00 22.41 O ATOM 0 H TYR A 107 6.462 3.530 1.661 1.00 1.53 H new ATOM 0 HA TYR A 107 7.019 4.210 4.459 1.00 30.52 H new ATOM 0 HB2 TYR A 107 7.794 5.535 1.800 1.00 40.52 H new ATOM 0 HB3 TYR A 107 8.408 5.992 3.376 1.00 40.52 H new ATOM 0 HD1 TYR A 107 8.372 3.014 1.080 1.00 3.32 H new ATOM 0 HD2 TYR A 107 10.509 5.304 3.966 1.00 15.50 H new ATOM 0 HE1 TYR A 107 10.372 1.660 0.673 1.00 42.33 H new ATOM 0 HE2 TYR A 107 12.496 3.935 3.576 1.00 33.13 H new ATOM 0 HH TYR A 107 13.246 1.983 2.663 1.00 22.41 H new ATOM 1635 N VAL A 108 5.239 6.081 4.444 1.00 4.21 N ATOM 1636 CA VAL A 108 4.354 7.220 4.433 1.00 33.41 C ATOM 1637 C VAL A 108 4.923 8.326 5.306 1.00 1.32 C ATOM 1638 O VAL A 108 5.661 8.056 6.249 1.00 22.15 O ATOM 1639 CB VAL A 108 2.910 6.880 4.840 1.00 41.21 C ATOM 1640 CG1 VAL A 108 2.292 5.908 3.859 1.00 73.51 C ATOM 1641 CG2 VAL A 108 2.840 6.332 6.241 1.00 53.32 C ATOM 0 H VAL A 108 5.383 5.657 5.361 1.00 4.21 H new ATOM 0 HA VAL A 108 4.294 7.565 3.401 1.00 33.41 H new ATOM 0 HB VAL A 108 2.338 7.808 4.820 1.00 41.21 H new ATOM 0 HG11 VAL A 108 1.271 5.681 4.166 1.00 73.51 H new ATOM 0 HG12 VAL A 108 2.282 6.353 2.864 1.00 73.51 H new ATOM 0 HG13 VAL A 108 2.878 4.989 3.840 1.00 73.51 H new ATOM 0 HG21 VAL A 108 1.804 6.104 6.491 1.00 53.32 H new ATOM 0 HG22 VAL A 108 3.437 5.423 6.306 1.00 53.32 H new ATOM 0 HG23 VAL A 108 3.228 7.072 6.941 1.00 53.32 H new ATOM 1651 N TRP A 109 4.597 9.549 4.982 1.00 75.31 N ATOM 1652 CA TRP A 109 5.166 10.714 5.650 1.00 1.41 C ATOM 1653 C TRP A 109 4.456 10.922 6.976 1.00 40.13 C ATOM 1654 O TRP A 109 3.236 10.967 7.016 1.00 63.35 O ATOM 1655 CB TRP A 109 4.950 11.902 4.725 1.00 73.42 C ATOM 1656 CG TRP A 109 5.756 13.133 4.987 1.00 53.40 C ATOM 1657 CD1 TRP A 109 5.293 14.380 5.295 1.00 13.12 C ATOM 1658 CD2 TRP A 109 7.179 13.237 4.919 1.00 44.25 C ATOM 1659 NE1 TRP A 109 6.347 15.254 5.399 1.00 54.14 N ATOM 1660 CE2 TRP A 109 7.514 14.570 5.180 1.00 72.43 C ATOM 1661 CE3 TRP A 109 8.199 12.327 4.661 1.00 64.01 C ATOM 1662 CZ2 TRP A 109 8.833 15.013 5.181 1.00 43.43 C ATOM 1663 CZ3 TRP A 109 9.493 12.757 4.665 1.00 63.41 C ATOM 1664 CH2 TRP A 109 9.809 14.094 4.924 1.00 22.42 C ATOM 0 H TRP A 109 3.928 9.778 4.247 1.00 75.31 H new ATOM 0 HA TRP A 109 6.229 10.587 5.855 1.00 1.41 H new ATOM 0 HB2 TRP A 109 5.154 11.576 3.705 1.00 73.42 H new ATOM 0 HB3 TRP A 109 3.895 12.174 4.767 1.00 73.42 H new ATOM 0 HD1 TRP A 109 4.254 14.640 5.436 1.00 13.12 H new ATOM 0 HE1 TRP A 109 6.273 16.250 5.606 1.00 54.14 H new ATOM 0 HE3 TRP A 109 7.969 11.291 4.460 1.00 64.01 H new ATOM 0 HZ2 TRP A 109 9.076 16.047 5.378 1.00 43.43 H new ATOM 0 HZ3 TRP A 109 10.287 12.053 4.465 1.00 63.41 H new ATOM 0 HH2 TRP A 109 10.843 14.405 4.921 1.00 22.42 H new ATOM 1675 N VAL A 110 5.208 11.019 8.055 1.00 52.12 N ATOM 1676 CA VAL A 110 4.631 11.172 9.378 1.00 0.30 C ATOM 1677 C VAL A 110 4.043 12.570 9.596 1.00 31.23 C ATOM 1678 O VAL A 110 3.075 12.744 10.333 1.00 63.22 O ATOM 1679 CB VAL A 110 5.643 10.836 10.501 1.00 20.44 C ATOM 1680 CG1 VAL A 110 6.111 9.416 10.390 1.00 21.00 C ATOM 1681 CG2 VAL A 110 6.823 11.763 10.484 1.00 45.52 C ATOM 0 H VAL A 110 6.228 10.994 8.041 1.00 52.12 H new ATOM 0 HA VAL A 110 3.815 10.451 9.432 1.00 0.30 H new ATOM 0 HB VAL A 110 5.122 10.968 11.449 1.00 20.44 H new ATOM 0 HG11 VAL A 110 6.821 9.203 11.189 1.00 21.00 H new ATOM 0 HG12 VAL A 110 5.257 8.744 10.475 1.00 21.00 H new ATOM 0 HG13 VAL A 110 6.596 9.267 9.425 1.00 21.00 H new ATOM 0 HG21 VAL A 110 7.509 11.494 11.287 1.00 45.52 H new ATOM 0 HG22 VAL A 110 7.336 11.681 9.526 1.00 45.52 H new ATOM 0 HG23 VAL A 110 6.482 12.788 10.627 1.00 45.52 H new ATOM 1691 N ASN A 111 4.603 13.549 8.905 1.00 24.41 N ATOM 1692 CA ASN A 111 4.216 14.961 9.032 1.00 15.12 C ATOM 1693 C ASN A 111 2.917 15.263 8.237 1.00 20.12 C ATOM 1694 O ASN A 111 2.547 16.409 8.022 1.00 70.24 O ATOM 1695 CB ASN A 111 5.397 15.861 8.597 1.00 1.02 C ATOM 1696 CG ASN A 111 5.199 17.357 8.861 1.00 2.13 C ATOM 1697 OD1 ASN A 111 4.489 17.760 9.779 1.00 32.11 O ATOM 1698 ND2 ASN A 111 5.877 18.183 8.104 1.00 51.51 N ATOM 0 H ASN A 111 5.350 13.392 8.229 1.00 24.41 H new ATOM 0 HA ASN A 111 3.991 15.180 10.076 1.00 15.12 H new ATOM 0 HB2 ASN A 111 6.297 15.531 9.116 1.00 1.02 H new ATOM 0 HB3 ASN A 111 5.573 15.715 7.531 1.00 1.02 H new ATOM 0 HD21 ASN A 111 5.823 19.188 8.270 1.00 51.51 H new ATOM 0 HD22 ASN A 111 6.459 17.821 7.348 1.00 51.51 H new ATOM 1705 N LYS A 112 2.228 14.195 7.818 1.00 52.32 N ATOM 1706 CA LYS A 112 0.953 14.268 7.082 1.00 22.13 C ATOM 1707 C LYS A 112 -0.140 15.137 7.715 1.00 31.03 C ATOM 1708 O LYS A 112 -1.106 15.478 7.055 1.00 30.45 O ATOM 1709 CB LYS A 112 0.422 12.886 6.728 1.00 31.20 C ATOM 1710 CG LYS A 112 0.484 11.870 7.832 1.00 22.34 C ATOM 1711 CD LYS A 112 -0.310 12.228 9.059 1.00 22.32 C ATOM 1712 CE LYS A 112 -0.035 11.229 10.143 1.00 30.41 C ATOM 1713 NZ LYS A 112 -0.685 11.579 11.416 1.00 23.24 N ATOM 0 H LYS A 112 2.543 13.239 7.982 1.00 52.32 H new ATOM 0 HA LYS A 112 1.218 14.795 6.165 1.00 22.13 H new ATOM 0 HB2 LYS A 112 -0.615 12.985 6.406 1.00 31.20 H new ATOM 0 HB3 LYS A 112 0.985 12.506 5.876 1.00 31.20 H new ATOM 0 HG2 LYS A 112 0.125 10.915 7.449 1.00 22.34 H new ATOM 0 HG3 LYS A 112 1.526 11.727 8.118 1.00 22.34 H new ATOM 0 HD2 LYS A 112 -0.045 13.230 9.397 1.00 22.32 H new ATOM 0 HD3 LYS A 112 -1.374 12.242 8.825 1.00 22.32 H new ATOM 0 HE2 LYS A 112 -0.380 10.246 9.822 1.00 30.41 H new ATOM 0 HE3 LYS A 112 1.041 11.154 10.298 1.00 30.41 H new ATOM 0 HZ1 LYS A 112 -0.577 10.793 12.089 1.00 23.24 H new ATOM 0 HZ2 LYS A 112 -0.242 12.434 11.808 1.00 23.24 H new ATOM 0 HZ3 LYS A 112 -1.696 11.757 11.252 1.00 23.24 H new ATOM 1727 N ASP A 113 0.019 15.498 8.983 1.00 13.01 N ATOM 1728 CA ASP A 113 -0.994 16.300 9.706 1.00 52.31 C ATOM 1729 C ASP A 113 -1.012 17.767 9.241 1.00 24.42 C ATOM 1730 O ASP A 113 -1.688 18.619 9.835 1.00 42.32 O ATOM 1731 CB ASP A 113 -0.786 16.222 11.228 1.00 65.13 C ATOM 1732 CG ASP A 113 -0.905 14.817 11.767 1.00 11.32 C ATOM 1733 OD1 ASP A 113 0.116 14.101 11.812 1.00 50.33 O ATOM 1734 OD2 ASP A 113 -2.021 14.399 12.141 1.00 42.15 O ATOM 0 H ASP A 113 0.836 15.254 9.543 1.00 13.01 H new ATOM 0 HA ASP A 113 -1.965 15.866 9.467 1.00 52.31 H new ATOM 0 HB2 ASP A 113 0.199 16.618 11.476 1.00 65.13 H new ATOM 0 HB3 ASP A 113 -1.519 16.859 11.723 1.00 65.13 H new ATOM 1739 N ASP A 114 -0.302 18.042 8.165 1.00 11.35 N ATOM 1740 CA ASP A 114 -0.277 19.359 7.556 1.00 30.00 C ATOM 1741 C ASP A 114 -1.480 19.472 6.623 1.00 62.44 C ATOM 1742 O ASP A 114 -1.746 18.551 5.831 1.00 13.23 O ATOM 1743 CB ASP A 114 1.025 19.553 6.775 1.00 70.41 C ATOM 1744 CG ASP A 114 1.112 20.899 6.093 1.00 5.01 C ATOM 1745 OD1 ASP A 114 1.507 21.875 6.743 1.00 11.41 O ATOM 1746 OD2 ASP A 114 0.814 20.991 4.897 1.00 43.13 O ATOM 0 H ASP A 114 0.278 17.354 7.685 1.00 11.35 H new ATOM 0 HA ASP A 114 -0.327 20.132 8.323 1.00 30.00 H new ATOM 0 HB2 ASP A 114 1.870 19.442 7.455 1.00 70.41 H new ATOM 0 HB3 ASP A 114 1.113 18.766 6.026 1.00 70.41 H new ATOM 1751 N PRO A 115 -2.236 20.572 6.721 1.00 43.43 N ATOM 1752 CA PRO A 115 -3.503 20.748 5.997 1.00 74.23 C ATOM 1753 C PRO A 115 -3.399 20.984 4.485 1.00 73.24 C ATOM 1754 O PRO A 115 -4.402 20.841 3.774 1.00 13.11 O ATOM 1755 CB PRO A 115 -4.124 21.964 6.677 1.00 45.33 C ATOM 1756 CG PRO A 115 -2.956 22.751 7.145 1.00 71.14 C ATOM 1757 CD PRO A 115 -1.930 21.747 7.566 1.00 43.22 C ATOM 0 HA PRO A 115 -4.083 19.826 6.050 1.00 74.23 H new ATOM 0 HB2 PRO A 115 -4.740 22.538 5.984 1.00 45.33 H new ATOM 0 HB3 PRO A 115 -4.767 21.672 7.507 1.00 45.33 H new ATOM 0 HG2 PRO A 115 -2.573 23.392 6.351 1.00 71.14 H new ATOM 0 HG3 PRO A 115 -3.230 23.402 7.975 1.00 71.14 H new ATOM 0 HD2 PRO A 115 -0.917 22.112 7.396 1.00 43.22 H new ATOM 0 HD3 PRO A 115 -2.010 21.511 8.627 1.00 43.22 H new ATOM 1765 N ARG A 116 -2.237 21.333 3.962 1.00 53.41 N ATOM 1766 CA ARG A 116 -2.194 21.606 2.539 1.00 24.24 C ATOM 1767 C ARG A 116 -1.081 20.896 1.804 1.00 45.41 C ATOM 1768 O ARG A 116 0.097 21.161 2.003 1.00 72.32 O ATOM 1769 CB ARG A 116 -2.234 23.115 2.216 1.00 35.03 C ATOM 1770 CG ARG A 116 -1.116 23.952 2.817 1.00 32.24 C ATOM 1771 CD ARG A 116 -1.234 25.396 2.361 1.00 63.34 C ATOM 1772 NE ARG A 116 -0.176 26.254 2.902 1.00 11.21 N ATOM 1773 CZ ARG A 116 0.266 27.377 2.319 1.00 0.24 C ATOM 1774 NH1 ARG A 116 -0.240 27.772 1.156 1.00 31.31 N ATOM 1775 NH2 ARG A 116 1.204 28.100 2.903 1.00 2.14 N ATOM 0 H ARG A 116 -1.357 21.430 4.468 1.00 53.41 H new ATOM 0 HA ARG A 116 -3.116 21.173 2.152 1.00 24.24 H new ATOM 0 HB2 ARG A 116 -2.210 23.236 1.133 1.00 35.03 H new ATOM 0 HB3 ARG A 116 -3.187 23.516 2.561 1.00 35.03 H new ATOM 0 HG2 ARG A 116 -1.160 23.902 3.905 1.00 32.24 H new ATOM 0 HG3 ARG A 116 -0.149 23.547 2.519 1.00 32.24 H new ATOM 0 HD2 ARG A 116 -1.202 25.431 1.272 1.00 63.34 H new ATOM 0 HD3 ARG A 116 -2.204 25.789 2.664 1.00 63.34 H new ATOM 0 HE ARG A 116 0.254 25.977 3.784 1.00 11.21 H new ATOM 0 HH11 ARG A 116 -0.968 27.220 0.703 1.00 31.31 H new ATOM 0 HH12 ARG A 116 0.100 28.627 0.716 1.00 31.31 H new ATOM 0 HH21 ARG A 116 1.593 27.804 3.798 1.00 2.14 H new ATOM 0 HH22 ARG A 116 1.540 28.955 2.459 1.00 2.14 H new ATOM 1789 N MET A 117 -1.480 19.998 0.943 1.00 45.45 N ATOM 1790 CA MET A 117 -0.579 19.261 0.088 1.00 4.23 C ATOM 1791 C MET A 117 -1.208 19.113 -1.284 1.00 22.11 C ATOM 1792 O MET A 117 -2.216 18.417 -1.442 1.00 51.31 O ATOM 1793 CB MET A 117 -0.218 17.878 0.681 1.00 62.21 C ATOM 1794 CG MET A 117 0.608 17.936 1.966 1.00 1.13 C ATOM 1795 SD MET A 117 1.000 16.301 2.630 1.00 63.53 S ATOM 1796 CE MET A 117 2.015 16.743 4.036 1.00 23.44 C ATOM 0 H MET A 117 -2.461 19.751 0.811 1.00 45.45 H new ATOM 0 HA MET A 117 0.354 19.818 0.006 1.00 4.23 H new ATOM 0 HB2 MET A 117 -1.139 17.331 0.880 1.00 62.21 H new ATOM 0 HB3 MET A 117 0.335 17.309 -0.066 1.00 62.21 H new ATOM 0 HG2 MET A 117 1.535 18.474 1.771 1.00 1.13 H new ATOM 0 HG3 MET A 117 0.061 18.505 2.717 1.00 1.13 H new ATOM 0 HE1 MET A 117 2.807 16.005 4.159 1.00 23.44 H new ATOM 0 HE2 MET A 117 2.457 17.726 3.871 1.00 23.44 H new ATOM 0 HE3 MET A 117 1.400 16.768 4.935 1.00 23.44 H new ATOM 1920 N GLU A 125 8.955 21.778 -13.350 1.00 55.24 N ATOM 1921 CA GLU A 125 8.774 20.330 -13.391 1.00 61.05 C ATOM 1922 C GLU A 125 7.304 19.946 -13.427 1.00 73.15 C ATOM 1923 O GLU A 125 6.918 19.065 -14.173 1.00 11.23 O ATOM 1924 CB GLU A 125 9.454 19.624 -12.225 1.00 42.55 C ATOM 1925 CG GLU A 125 10.967 19.738 -12.195 1.00 53.40 C ATOM 1926 CD GLU A 125 11.565 18.915 -11.080 1.00 62.13 C ATOM 1927 OE1 GLU A 125 11.832 17.707 -11.294 1.00 34.34 O ATOM 1928 OE2 GLU A 125 11.757 19.440 -9.970 1.00 2.44 O ATOM 0 HA GLU A 125 9.250 19.999 -14.314 1.00 61.05 H new ATOM 0 HB2 GLU A 125 9.057 20.029 -11.294 1.00 42.55 H new ATOM 0 HB3 GLU A 125 9.186 18.568 -12.254 1.00 42.55 H new ATOM 0 HG2 GLU A 125 11.376 19.409 -13.150 1.00 53.40 H new ATOM 0 HG3 GLU A 125 11.251 20.783 -12.069 1.00 53.40 H new ATOM 1935 N TRP A 126 6.475 20.627 -12.645 1.00 13.05 N ATOM 1936 CA TRP A 126 5.044 20.303 -12.587 1.00 34.40 C ATOM 1937 C TRP A 126 4.384 20.472 -13.946 1.00 74.30 C ATOM 1938 O TRP A 126 3.374 19.828 -14.245 1.00 64.12 O ATOM 1939 CB TRP A 126 4.311 21.107 -11.498 1.00 35.22 C ATOM 1940 CG TRP A 126 2.826 20.838 -11.441 1.00 73.22 C ATOM 1941 CD1 TRP A 126 1.838 21.689 -11.813 1.00 5.51 C ATOM 1942 CD2 TRP A 126 2.168 19.630 -11.024 1.00 32.45 C ATOM 1943 NE1 TRP A 126 0.611 21.103 -11.641 1.00 41.01 N ATOM 1944 CE2 TRP A 126 0.784 19.843 -11.159 1.00 13.00 C ATOM 1945 CE3 TRP A 126 2.609 18.401 -10.549 1.00 10.13 C ATOM 1946 CZ2 TRP A 126 -0.157 18.870 -10.835 1.00 71.25 C ATOM 1947 CZ3 TRP A 126 1.672 17.436 -10.230 1.00 70.34 C ATOM 1948 CH2 TRP A 126 0.307 17.677 -10.373 1.00 44.23 C ATOM 0 H TRP A 126 6.760 21.401 -12.045 1.00 13.05 H new ATOM 0 HA TRP A 126 4.965 19.252 -12.309 1.00 34.40 H new ATOM 0 HB2 TRP A 126 4.751 20.874 -10.528 1.00 35.22 H new ATOM 0 HB3 TRP A 126 4.472 22.171 -11.674 1.00 35.22 H new ATOM 0 HD1 TRP A 126 1.996 22.688 -12.192 1.00 5.51 H new ATOM 0 HE1 TRP A 126 -0.288 21.541 -11.842 1.00 41.01 H new ATOM 0 HE3 TRP A 126 3.664 18.203 -10.431 1.00 10.13 H new ATOM 0 HZ2 TRP A 126 -1.215 19.055 -10.946 1.00 71.25 H new ATOM 0 HZ3 TRP A 126 2.004 16.476 -9.863 1.00 70.34 H new ATOM 0 HH2 TRP A 126 -0.397 16.901 -10.112 1.00 44.23 H new ATOM 1959 N ARG A 127 4.978 21.305 -14.773 1.00 4.32 N ATOM 1960 CA ARG A 127 4.509 21.516 -16.118 1.00 11.15 C ATOM 1961 C ARG A 127 4.512 20.176 -16.873 1.00 31.43 C ATOM 1962 O ARG A 127 3.550 19.838 -17.544 1.00 5.01 O ATOM 1963 CB ARG A 127 5.396 22.545 -16.817 1.00 24.32 C ATOM 1964 CG ARG A 127 4.961 22.938 -18.223 1.00 74.13 C ATOM 1965 CD ARG A 127 3.582 23.571 -18.229 1.00 64.13 C ATOM 1966 NE ARG A 127 3.492 24.722 -17.328 1.00 51.41 N ATOM 1967 CZ ARG A 127 2.664 25.758 -17.484 1.00 23.24 C ATOM 1968 NH1 ARG A 127 1.894 25.845 -18.566 1.00 50.25 N ATOM 1969 NH2 ARG A 127 2.622 26.706 -16.557 1.00 3.34 N ATOM 0 H ARG A 127 5.801 21.854 -14.527 1.00 4.32 H new ATOM 0 HA ARG A 127 3.490 21.902 -16.102 1.00 11.15 H new ATOM 0 HB2 ARG A 127 5.433 23.444 -16.202 1.00 24.32 H new ATOM 0 HB3 ARG A 127 6.411 22.150 -16.866 1.00 24.32 H new ATOM 0 HG2 ARG A 127 5.684 23.636 -18.645 1.00 74.13 H new ATOM 0 HG3 ARG A 127 4.959 22.056 -18.863 1.00 74.13 H new ATOM 0 HD2 ARG A 127 3.334 23.886 -19.243 1.00 64.13 H new ATOM 0 HD3 ARG A 127 2.842 22.826 -17.937 1.00 64.13 H new ATOM 0 HE ARG A 127 4.111 24.733 -16.517 1.00 51.41 H new ATOM 0 HH11 ARG A 127 1.935 25.118 -19.281 1.00 50.25 H new ATOM 0 HH12 ARG A 127 1.263 26.638 -18.681 1.00 50.25 H new ATOM 0 HH21 ARG A 127 3.219 26.640 -15.733 1.00 3.34 H new ATOM 0 HH22 ARG A 127 1.992 27.501 -16.668 1.00 3.34 H new ATOM 1983 N VAL A 128 5.571 19.396 -16.705 1.00 31.25 N ATOM 1984 CA VAL A 128 5.634 18.107 -17.366 1.00 64.53 C ATOM 1985 C VAL A 128 4.906 17.036 -16.548 1.00 52.44 C ATOM 1986 O VAL A 128 4.295 16.134 -17.105 1.00 54.32 O ATOM 1987 CB VAL A 128 7.088 17.644 -17.705 1.00 1.21 C ATOM 1988 CG1 VAL A 128 7.808 18.684 -18.532 1.00 63.10 C ATOM 1989 CG2 VAL A 128 7.892 17.292 -16.470 1.00 65.20 C ATOM 0 H VAL A 128 6.380 19.629 -16.129 1.00 31.25 H new ATOM 0 HA VAL A 128 5.126 18.239 -18.321 1.00 64.53 H new ATOM 0 HB VAL A 128 6.995 16.731 -18.293 1.00 1.21 H new ATOM 0 HG11 VAL A 128 8.817 18.337 -18.754 1.00 63.10 H new ATOM 0 HG12 VAL A 128 7.267 18.846 -19.464 1.00 63.10 H new ATOM 0 HG13 VAL A 128 7.860 19.620 -17.975 1.00 63.10 H new ATOM 0 HG21 VAL A 128 8.893 16.977 -16.765 1.00 65.20 H new ATOM 0 HG22 VAL A 128 7.962 18.165 -15.821 1.00 65.20 H new ATOM 0 HG23 VAL A 128 7.400 16.480 -15.934 1.00 65.20 H new ATOM 1999 N VAL A 129 4.920 17.179 -15.225 1.00 21.01 N ATOM 2000 CA VAL A 129 4.305 16.186 -14.346 1.00 54.41 C ATOM 2001 C VAL A 129 2.780 16.185 -14.498 1.00 51.14 C ATOM 2002 O VAL A 129 2.152 15.116 -14.513 1.00 73.12 O ATOM 2003 CB VAL A 129 4.701 16.384 -12.851 1.00 22.51 C ATOM 2004 CG1 VAL A 129 4.088 15.300 -11.970 1.00 62.42 C ATOM 2005 CG2 VAL A 129 6.212 16.393 -12.690 1.00 61.43 C ATOM 0 H VAL A 129 5.348 17.968 -14.740 1.00 21.01 H new ATOM 0 HA VAL A 129 4.691 15.215 -14.657 1.00 54.41 H new ATOM 0 HB VAL A 129 4.308 17.349 -12.531 1.00 22.51 H new ATOM 0 HG11 VAL A 129 4.382 15.464 -10.933 1.00 62.42 H new ATOM 0 HG12 VAL A 129 3.002 15.338 -12.050 1.00 62.42 H new ATOM 0 HG13 VAL A 129 4.442 14.322 -12.297 1.00 62.42 H new ATOM 0 HG21 VAL A 129 6.465 16.532 -11.639 1.00 61.43 H new ATOM 0 HG22 VAL A 129 6.621 15.445 -13.039 1.00 61.43 H new ATOM 0 HG23 VAL A 129 6.636 17.208 -13.276 1.00 61.43 H new ATOM 2015 N HIS A 130 2.171 17.371 -14.642 1.00 34.14 N ATOM 2016 CA HIS A 130 0.723 17.415 -14.847 1.00 10.24 C ATOM 2017 C HIS A 130 0.363 16.818 -16.206 1.00 0.03 C ATOM 2018 O HIS A 130 -0.660 16.173 -16.362 1.00 63.33 O ATOM 2019 CB HIS A 130 0.072 18.840 -14.622 1.00 73.24 C ATOM 2020 CG HIS A 130 0.453 19.978 -15.568 1.00 14.53 C ATOM 2021 ND1 HIS A 130 0.680 21.271 -15.133 1.00 1.53 N ATOM 2022 CD2 HIS A 130 0.564 20.031 -16.917 1.00 12.11 C ATOM 2023 CE1 HIS A 130 0.909 22.052 -16.171 1.00 63.42 C ATOM 2024 NE2 HIS A 130 0.844 21.325 -17.260 1.00 33.54 N ATOM 0 H HIS A 130 2.639 18.277 -14.621 1.00 34.14 H new ATOM 0 HA HIS A 130 0.282 16.798 -14.065 1.00 10.24 H new ATOM 0 HB2 HIS A 130 -1.010 18.720 -14.668 1.00 73.24 H new ATOM 0 HB3 HIS A 130 0.314 19.158 -13.608 1.00 73.24 H new ATOM 0 HD1 HIS A 130 0.672 21.574 -14.159 1.00 1.53 H new ATOM 0 HD2 HIS A 130 0.452 19.201 -17.599 1.00 12.11 H new ATOM 0 HE1 HIS A 130 1.115 23.111 -16.131 1.00 63.42 H new ATOM 2033 N ALA A 131 1.257 16.992 -17.164 1.00 34.52 N ATOM 2034 CA ALA A 131 1.065 16.482 -18.512 1.00 13.34 C ATOM 2035 C ALA A 131 1.097 14.961 -18.503 1.00 54.43 C ATOM 2036 O ALA A 131 0.270 14.301 -19.143 1.00 54.34 O ATOM 2037 CB ALA A 131 2.138 17.039 -19.425 1.00 1.00 C ATOM 0 H ALA A 131 2.137 17.491 -17.030 1.00 34.52 H new ATOM 0 HA ALA A 131 0.092 16.800 -18.885 1.00 13.34 H new ATOM 0 HB1 ALA A 131 1.992 16.655 -20.435 1.00 1.00 H new ATOM 0 HB2 ALA A 131 2.076 18.127 -19.438 1.00 1.00 H new ATOM 0 HB3 ALA A 131 3.119 16.736 -19.060 1.00 1.00 H new ATOM 2043 N GLU A 132 2.043 14.420 -17.750 1.00 12.54 N ATOM 2044 CA GLU A 132 2.198 12.984 -17.568 1.00 64.04 C ATOM 2045 C GLU A 132 0.984 12.353 -16.895 1.00 30.32 C ATOM 2046 O GLU A 132 0.723 11.159 -17.057 1.00 45.52 O ATOM 2047 CB GLU A 132 3.441 12.692 -16.748 1.00 54.51 C ATOM 2048 CG GLU A 132 4.740 12.980 -17.460 1.00 71.04 C ATOM 2049 CD GLU A 132 4.914 12.101 -18.665 1.00 43.21 C ATOM 2050 OE1 GLU A 132 5.385 10.944 -18.504 1.00 64.13 O ATOM 2051 OE2 GLU A 132 4.576 12.532 -19.788 1.00 70.31 O ATOM 0 H GLU A 132 2.733 14.973 -17.242 1.00 12.54 H new ATOM 0 HA GLU A 132 2.295 12.544 -18.560 1.00 64.04 H new ATOM 0 HB2 GLU A 132 3.404 13.282 -15.832 1.00 54.51 H new ATOM 0 HB3 GLU A 132 3.428 11.643 -16.452 1.00 54.51 H new ATOM 0 HG2 GLU A 132 4.765 14.026 -17.765 1.00 71.04 H new ATOM 0 HG3 GLU A 132 5.573 12.828 -16.774 1.00 71.04 H new ATOM 2058 N LYS A 133 0.270 13.139 -16.136 1.00 1.10 N ATOM 2059 CA LYS A 133 -0.907 12.667 -15.464 1.00 2.34 C ATOM 2060 C LYS A 133 -2.027 12.580 -16.514 1.00 64.50 C ATOM 2061 O LYS A 133 -2.588 11.509 -16.762 1.00 0.41 O ATOM 2062 CB LYS A 133 -1.275 13.679 -14.356 1.00 52.53 C ATOM 2063 CG LYS A 133 -2.209 13.229 -13.191 1.00 2.35 C ATOM 2064 CD LYS A 133 -3.593 12.694 -13.587 1.00 54.42 C ATOM 2065 CE LYS A 133 -3.585 11.207 -13.960 1.00 55.41 C ATOM 2066 NZ LYS A 133 -3.163 10.334 -12.837 1.00 1.30 N ATOM 0 H LYS A 133 0.488 14.121 -15.967 1.00 1.10 H new ATOM 0 HA LYS A 133 -0.753 11.690 -15.007 1.00 2.34 H new ATOM 0 HB2 LYS A 133 -0.344 14.032 -13.912 1.00 52.53 H new ATOM 0 HB3 LYS A 133 -1.743 14.537 -14.838 1.00 52.53 H new ATOM 0 HG2 LYS A 133 -1.695 12.455 -12.622 1.00 2.35 H new ATOM 0 HG3 LYS A 133 -2.350 14.077 -12.521 1.00 2.35 H new ATOM 0 HD2 LYS A 133 -4.285 12.850 -12.760 1.00 54.42 H new ATOM 0 HD3 LYS A 133 -3.970 13.271 -14.431 1.00 54.42 H new ATOM 0 HE2 LYS A 133 -4.583 10.914 -14.287 1.00 55.41 H new ATOM 0 HE3 LYS A 133 -2.915 11.053 -14.806 1.00 55.41 H new ATOM 0 HZ1 LYS A 133 -3.489 9.362 -13.012 1.00 1.30 H new ATOM 0 HZ2 LYS A 133 -2.126 10.343 -12.761 1.00 1.30 H new ATOM 0 HZ3 LYS A 133 -3.578 10.684 -11.950 1.00 1.30 H new ATOM 2080 N PHE A 134 -2.305 13.705 -17.157 1.00 53.32 N ATOM 2081 CA PHE A 134 -3.396 13.788 -18.116 1.00 62.10 C ATOM 2082 C PHE A 134 -3.248 12.869 -19.323 1.00 11.32 C ATOM 2083 O PHE A 134 -4.250 12.360 -19.814 1.00 43.21 O ATOM 2084 CB PHE A 134 -3.725 15.229 -18.517 1.00 12.51 C ATOM 2085 CG PHE A 134 -4.335 16.033 -17.399 1.00 44.22 C ATOM 2086 CD1 PHE A 134 -5.703 15.995 -17.177 1.00 63.31 C ATOM 2087 CD2 PHE A 134 -3.553 16.815 -16.571 1.00 30.24 C ATOM 2088 CE1 PHE A 134 -6.274 16.721 -16.152 1.00 41.15 C ATOM 2089 CE2 PHE A 134 -4.117 17.545 -15.543 1.00 3.33 C ATOM 2090 CZ PHE A 134 -5.479 17.498 -15.335 1.00 22.01 C ATOM 0 H PHE A 134 -1.788 14.575 -17.031 1.00 53.32 H new ATOM 0 HA PHE A 134 -4.261 13.403 -17.576 1.00 62.10 H new ATOM 0 HB2 PHE A 134 -2.813 15.722 -18.855 1.00 12.51 H new ATOM 0 HB3 PHE A 134 -4.412 15.216 -19.363 1.00 12.51 H new ATOM 0 HD1 PHE A 134 -6.330 15.389 -17.815 1.00 63.31 H new ATOM 0 HD2 PHE A 134 -2.486 16.856 -16.730 1.00 30.24 H new ATOM 0 HE1 PHE A 134 -7.341 16.681 -15.990 1.00 41.15 H new ATOM 0 HE2 PHE A 134 -3.492 18.151 -14.904 1.00 3.33 H new ATOM 0 HZ PHE A 134 -5.923 18.069 -14.533 1.00 22.01 H new ATOM 2100 N VAL A 135 -2.017 12.626 -19.786 1.00 11.02 N ATOM 2101 CA VAL A 135 -1.818 11.716 -20.920 1.00 23.10 C ATOM 2102 C VAL A 135 -2.390 10.323 -20.605 1.00 23.03 C ATOM 2103 O VAL A 135 -3.074 9.718 -21.433 1.00 21.10 O ATOM 2104 CB VAL A 135 -0.322 11.624 -21.388 1.00 43.25 C ATOM 2105 CG1 VAL A 135 0.598 11.142 -20.283 1.00 14.42 C ATOM 2106 CG2 VAL A 135 -0.196 10.721 -22.602 1.00 63.45 C ATOM 0 H VAL A 135 -1.163 13.034 -19.405 1.00 11.02 H new ATOM 0 HA VAL A 135 -2.368 12.141 -21.759 1.00 23.10 H new ATOM 0 HB VAL A 135 -0.011 12.634 -21.656 1.00 43.25 H new ATOM 0 HG11 VAL A 135 1.621 11.095 -20.656 1.00 14.42 H new ATOM 0 HG12 VAL A 135 0.550 11.833 -19.442 1.00 14.42 H new ATOM 0 HG13 VAL A 135 0.285 10.150 -19.956 1.00 14.42 H new ATOM 0 HG21 VAL A 135 0.848 10.670 -22.911 1.00 63.45 H new ATOM 0 HG22 VAL A 135 -0.549 9.721 -22.350 1.00 63.45 H new ATOM 0 HG23 VAL A 135 -0.797 11.123 -23.418 1.00 63.45 H new ATOM 2116 N GLU A 136 -2.157 9.857 -19.385 1.00 32.32 N ATOM 2117 CA GLU A 136 -2.682 8.588 -18.936 1.00 54.31 C ATOM 2118 C GLU A 136 -4.178 8.639 -18.852 1.00 13.22 C ATOM 2119 O GLU A 136 -4.856 7.687 -19.216 1.00 3.42 O ATOM 2120 CB GLU A 136 -2.090 8.212 -17.597 1.00 4.12 C ATOM 2121 CG GLU A 136 -0.625 7.885 -17.667 1.00 35.05 C ATOM 2122 CD GLU A 136 -0.367 6.666 -18.520 1.00 42.13 C ATOM 2123 OE1 GLU A 136 -0.497 5.520 -18.010 1.00 23.42 O ATOM 2124 OE2 GLU A 136 -0.052 6.818 -19.711 1.00 34.12 O ATOM 0 H GLU A 136 -1.601 10.350 -18.687 1.00 32.32 H new ATOM 0 HA GLU A 136 -2.403 7.825 -19.662 1.00 54.31 H new ATOM 0 HB2 GLU A 136 -2.239 9.035 -16.898 1.00 4.12 H new ATOM 0 HB3 GLU A 136 -2.629 7.353 -17.198 1.00 4.12 H new ATOM 0 HG2 GLU A 136 -0.081 8.737 -18.075 1.00 35.05 H new ATOM 0 HG3 GLU A 136 -0.242 7.714 -16.661 1.00 35.05 H new ATOM 2131 N THR A 137 -4.685 9.759 -18.393 1.00 61.44 N ATOM 2132 CA THR A 137 -6.106 9.965 -18.301 1.00 0.42 C ATOM 2133 C THR A 137 -6.757 9.837 -19.683 1.00 55.14 C ATOM 2134 O THR A 137 -7.715 9.087 -19.840 1.00 33.43 O ATOM 2135 CB THR A 137 -6.432 11.326 -17.670 1.00 33.34 C ATOM 2136 OG1 THR A 137 -5.796 11.392 -16.380 1.00 72.42 O ATOM 2137 CG2 THR A 137 -7.942 11.498 -17.497 1.00 52.31 C ATOM 0 H THR A 137 -4.124 10.549 -18.074 1.00 61.44 H new ATOM 0 HA THR A 137 -6.517 9.192 -17.652 1.00 0.42 H new ATOM 0 HB THR A 137 -6.069 12.120 -18.322 1.00 33.34 H new ATOM 0 HG1 THR A 137 -4.830 11.506 -16.497 1.00 72.42 H new ATOM 0 HG21 THR A 137 -8.148 12.470 -17.048 1.00 52.31 H new ATOM 0 HG22 THR A 137 -8.429 11.437 -18.470 1.00 52.31 H new ATOM 0 HG23 THR A 137 -8.326 10.710 -16.849 1.00 52.31 H new ATOM 2145 N PHE A 138 -6.207 10.532 -20.689 1.00 33.23 N ATOM 2146 CA PHE A 138 -6.723 10.425 -22.052 1.00 22.15 C ATOM 2147 C PHE A 138 -6.687 8.994 -22.541 1.00 3.20 C ATOM 2148 O PHE A 138 -7.644 8.529 -23.148 1.00 42.31 O ATOM 2149 CB PHE A 138 -5.997 11.349 -23.046 1.00 34.13 C ATOM 2150 CG PHE A 138 -6.332 12.812 -22.905 1.00 12.30 C ATOM 2151 CD1 PHE A 138 -7.441 13.336 -23.547 1.00 44.03 C ATOM 2152 CD2 PHE A 138 -5.548 13.657 -22.146 1.00 62.13 C ATOM 2153 CE1 PHE A 138 -7.761 14.672 -23.433 1.00 41.44 C ATOM 2154 CE2 PHE A 138 -5.861 14.997 -22.029 1.00 64.33 C ATOM 2155 CZ PHE A 138 -6.970 15.504 -22.674 1.00 14.11 C ATOM 0 H PHE A 138 -5.415 11.166 -20.582 1.00 33.23 H new ATOM 0 HA PHE A 138 -7.760 10.758 -22.008 1.00 22.15 H new ATOM 0 HB2 PHE A 138 -4.922 11.223 -22.920 1.00 34.13 H new ATOM 0 HB3 PHE A 138 -6.239 11.031 -24.060 1.00 34.13 H new ATOM 0 HD1 PHE A 138 -8.064 12.689 -24.146 1.00 44.03 H new ATOM 0 HD2 PHE A 138 -4.679 13.266 -21.637 1.00 62.13 H new ATOM 0 HE1 PHE A 138 -8.631 15.065 -23.938 1.00 41.44 H new ATOM 0 HE2 PHE A 138 -5.238 15.647 -21.433 1.00 64.33 H new ATOM 0 HZ PHE A 138 -7.217 16.551 -22.584 1.00 14.11 H new ATOM 2165 N ARG A 139 -5.597 8.293 -22.237 1.00 44.33 N ATOM 2166 CA ARG A 139 -5.439 6.894 -22.622 1.00 35.15 C ATOM 2167 C ARG A 139 -6.493 6.015 -21.953 1.00 2.11 C ATOM 2168 O ARG A 139 -7.136 5.207 -22.615 1.00 65.21 O ATOM 2169 CB ARG A 139 -4.033 6.378 -22.291 1.00 51.42 C ATOM 2170 CG ARG A 139 -2.917 7.090 -23.035 1.00 44.42 C ATOM 2171 CD ARG A 139 -1.550 6.573 -22.620 1.00 41.24 C ATOM 2172 NE ARG A 139 -1.344 5.150 -22.962 1.00 71.33 N ATOM 2173 CZ ARG A 139 -0.408 4.361 -22.415 1.00 70.12 C ATOM 2174 NH1 ARG A 139 0.282 4.771 -21.357 1.00 61.35 N ATOM 2175 NH2 ARG A 139 -0.218 3.141 -22.885 1.00 43.12 N ATOM 0 H ARG A 139 -4.805 8.676 -21.721 1.00 44.33 H new ATOM 0 HA ARG A 139 -5.578 6.839 -23.702 1.00 35.15 H new ATOM 0 HB2 ARG A 139 -3.863 6.481 -21.219 1.00 51.42 H new ATOM 0 HB3 ARG A 139 -3.986 5.313 -22.520 1.00 51.42 H new ATOM 0 HG2 ARG A 139 -3.048 6.952 -24.108 1.00 44.42 H new ATOM 0 HG3 ARG A 139 -2.976 8.161 -22.842 1.00 44.42 H new ATOM 0 HD2 ARG A 139 -0.779 7.173 -23.103 1.00 41.24 H new ATOM 0 HD3 ARG A 139 -1.429 6.704 -21.545 1.00 41.24 H new ATOM 0 HE ARG A 139 -1.958 4.738 -23.665 1.00 71.33 H new ATOM 0 HH11 ARG A 139 0.101 5.691 -20.956 1.00 61.35 H new ATOM 0 HH12 ARG A 139 0.993 4.166 -20.946 1.00 61.35 H new ATOM 0 HH21 ARG A 139 -0.783 2.800 -23.663 1.00 43.12 H new ATOM 0 HH22 ARG A 139 0.494 2.540 -22.470 1.00 43.12 H new ATOM 2189 N LYS A 140 -6.674 6.180 -20.648 1.00 73.21 N ATOM 2190 CA LYS A 140 -7.662 5.390 -19.905 1.00 45.41 C ATOM 2191 C LYS A 140 -9.069 5.713 -20.366 1.00 74.40 C ATOM 2192 O LYS A 140 -9.887 4.820 -20.555 1.00 55.23 O ATOM 2193 CB LYS A 140 -7.559 5.599 -18.391 1.00 5.22 C ATOM 2194 CG LYS A 140 -6.203 5.262 -17.784 1.00 12.32 C ATOM 2195 CD LYS A 140 -5.758 3.855 -18.135 1.00 63.23 C ATOM 2196 CE LYS A 140 -4.434 3.523 -17.481 1.00 34.31 C ATOM 2197 NZ LYS A 140 -3.896 2.229 -17.947 1.00 53.14 N ATOM 0 H LYS A 140 -6.155 6.849 -20.080 1.00 73.21 H new ATOM 0 HA LYS A 140 -7.441 4.343 -20.114 1.00 45.41 H new ATOM 0 HB2 LYS A 140 -7.792 6.640 -18.167 1.00 5.22 H new ATOM 0 HB3 LYS A 140 -8.320 4.990 -17.903 1.00 5.22 H new ATOM 0 HG2 LYS A 140 -5.460 5.976 -18.138 1.00 12.32 H new ATOM 0 HG3 LYS A 140 -6.255 5.366 -16.700 1.00 12.32 H new ATOM 0 HD2 LYS A 140 -6.515 3.140 -17.814 1.00 63.23 H new ATOM 0 HD3 LYS A 140 -5.667 3.758 -19.217 1.00 63.23 H new ATOM 0 HE2 LYS A 140 -3.715 4.313 -17.696 1.00 34.31 H new ATOM 0 HE3 LYS A 140 -4.561 3.494 -16.399 1.00 34.31 H new ATOM 0 HZ1 LYS A 140 -2.989 2.040 -17.475 1.00 53.14 H new ATOM 0 HZ2 LYS A 140 -4.570 1.470 -17.719 1.00 53.14 H new ATOM 0 HZ3 LYS A 140 -3.750 2.264 -18.976 1.00 53.14 H new ATOM 2211 N MET A 141 -9.341 6.995 -20.558 1.00 44.04 N ATOM 2212 CA MET A 141 -10.643 7.437 -21.051 1.00 51.22 C ATOM 2213 C MET A 141 -10.875 6.850 -22.441 1.00 24.41 C ATOM 2214 O MET A 141 -11.981 6.478 -22.779 1.00 31.21 O ATOM 2215 CB MET A 141 -10.732 8.977 -21.131 1.00 1.31 C ATOM 2216 CG MET A 141 -10.635 9.785 -19.816 1.00 65.25 C ATOM 2217 SD MET A 141 -12.152 9.887 -18.804 1.00 11.42 S ATOM 2218 CE MET A 141 -12.429 8.214 -18.264 1.00 13.31 C ATOM 0 H MET A 141 -8.679 7.750 -20.381 1.00 44.04 H new ATOM 0 HA MET A 141 -11.405 7.091 -20.353 1.00 51.22 H new ATOM 0 HB2 MET A 141 -9.938 9.322 -21.793 1.00 1.31 H new ATOM 0 HB3 MET A 141 -11.678 9.231 -21.609 1.00 1.31 H new ATOM 0 HG2 MET A 141 -9.846 9.347 -19.204 1.00 65.25 H new ATOM 0 HG3 MET A 141 -10.321 10.799 -20.062 1.00 65.25 H new ATOM 0 HE1 MET A 141 -12.960 8.222 -17.312 1.00 13.31 H new ATOM 0 HE2 MET A 141 -13.026 7.686 -19.008 1.00 13.31 H new ATOM 0 HE3 MET A 141 -11.471 7.708 -18.141 1.00 13.31 H new ATOM 2228 N LEU A 142 -9.800 6.749 -23.220 1.00 64.32 N ATOM 2229 CA LEU A 142 -9.843 6.197 -24.569 1.00 2.43 C ATOM 2230 C LEU A 142 -10.204 4.712 -24.476 1.00 4.00 C ATOM 2231 O LEU A 142 -10.980 4.200 -25.286 1.00 42.13 O ATOM 2232 CB LEU A 142 -8.462 6.436 -25.263 1.00 33.44 C ATOM 2233 CG LEU A 142 -8.303 6.176 -26.788 1.00 53.02 C ATOM 2234 CD1 LEU A 142 -6.945 6.669 -27.237 1.00 74.03 C ATOM 2235 CD2 LEU A 142 -8.420 4.709 -27.138 1.00 33.14 C ATOM 0 H LEU A 142 -8.870 7.050 -22.930 1.00 64.32 H new ATOM 0 HA LEU A 142 -10.602 6.689 -25.177 1.00 2.43 H new ATOM 0 HB2 LEU A 142 -8.183 7.474 -25.080 1.00 33.44 H new ATOM 0 HB3 LEU A 142 -7.729 5.813 -24.750 1.00 33.44 H new ATOM 0 HG LEU A 142 -9.107 6.710 -27.295 1.00 53.02 H new ATOM 0 HD11 LEU A 142 -6.828 6.489 -28.306 1.00 74.03 H new ATOM 0 HD12 LEU A 142 -6.861 7.737 -27.037 1.00 74.03 H new ATOM 0 HD13 LEU A 142 -6.166 6.136 -26.692 1.00 74.03 H new ATOM 0 HD21 LEU A 142 -8.302 4.581 -28.214 1.00 33.14 H new ATOM 0 HD22 LEU A 142 -7.643 4.148 -26.618 1.00 33.14 H new ATOM 0 HD23 LEU A 142 -9.399 4.339 -26.834 1.00 33.14 H new ATOM 2247 N GLU A 143 -9.663 4.033 -23.477 1.00 74.04 N ATOM 2248 CA GLU A 143 -9.982 2.637 -23.243 1.00 21.42 C ATOM 2249 C GLU A 143 -11.436 2.473 -22.889 1.00 43.03 C ATOM 2250 O GLU A 143 -12.128 1.664 -23.478 1.00 72.12 O ATOM 2251 CB GLU A 143 -9.094 2.032 -22.160 1.00 34.42 C ATOM 2252 CG GLU A 143 -7.633 1.985 -22.533 1.00 13.23 C ATOM 2253 CD GLU A 143 -7.402 1.202 -23.801 1.00 71.42 C ATOM 2254 OE1 GLU A 143 -7.445 -0.038 -23.765 1.00 42.13 O ATOM 2255 OE2 GLU A 143 -7.194 1.821 -24.865 1.00 2.12 O ATOM 0 H GLU A 143 -8.998 4.430 -22.813 1.00 74.04 H new ATOM 0 HA GLU A 143 -9.788 2.097 -24.170 1.00 21.42 H new ATOM 0 HB2 GLU A 143 -9.208 2.611 -21.243 1.00 34.42 H new ATOM 0 HB3 GLU A 143 -9.438 1.021 -21.943 1.00 34.42 H new ATOM 0 HG2 GLU A 143 -7.258 3.000 -22.660 1.00 13.23 H new ATOM 0 HG3 GLU A 143 -7.065 1.534 -21.719 1.00 13.23 H new ATOM 2262 N TRP A 144 -11.898 3.282 -21.981 1.00 14.31 N ATOM 2263 CA TRP A 144 -13.271 3.230 -21.539 1.00 2.44 C ATOM 2264 C TRP A 144 -14.284 3.712 -22.605 1.00 11.13 C ATOM 2265 O TRP A 144 -15.440 3.275 -22.611 1.00 70.13 O ATOM 2266 CB TRP A 144 -13.444 3.919 -20.176 1.00 15.54 C ATOM 2267 CG TRP A 144 -12.730 3.187 -19.058 1.00 25.21 C ATOM 2268 CD1 TRP A 144 -12.771 1.843 -18.808 1.00 2.13 C ATOM 2269 CD2 TRP A 144 -11.905 3.752 -18.028 1.00 64.30 C ATOM 2270 NE1 TRP A 144 -12.004 1.546 -17.708 1.00 41.13 N ATOM 2271 CE2 TRP A 144 -11.467 2.695 -17.211 1.00 44.23 C ATOM 2272 CE3 TRP A 144 -11.490 5.039 -17.724 1.00 22.11 C ATOM 2273 CZ2 TRP A 144 -10.637 2.892 -16.111 1.00 51.51 C ATOM 2274 CZ3 TRP A 144 -10.665 5.238 -16.632 1.00 24.41 C ATOM 2275 CH2 TRP A 144 -10.248 4.170 -15.840 1.00 31.32 C ATOM 0 H TRP A 144 -11.337 4.000 -21.522 1.00 14.31 H new ATOM 0 HA TRP A 144 -13.515 2.177 -21.396 1.00 2.44 H new ATOM 0 HB2 TRP A 144 -13.064 4.939 -20.238 1.00 15.54 H new ATOM 0 HB3 TRP A 144 -14.506 3.988 -19.940 1.00 15.54 H new ATOM 0 HD1 TRP A 144 -13.325 1.121 -19.390 1.00 2.13 H new ATOM 0 HE1 TRP A 144 -11.859 0.612 -17.324 1.00 41.13 H new ATOM 0 HE3 TRP A 144 -11.806 5.874 -18.331 1.00 22.11 H new ATOM 0 HZ2 TRP A 144 -10.314 2.065 -15.496 1.00 51.51 H new ATOM 0 HZ3 TRP A 144 -10.338 6.238 -16.389 1.00 24.41 H new ATOM 0 HH2 TRP A 144 -9.603 4.359 -14.994 1.00 31.32 H new ATOM 2286 N ASN A 145 -13.858 4.614 -23.486 1.00 5.20 N ATOM 2287 CA ASN A 145 -14.738 5.101 -24.569 1.00 43.43 C ATOM 2288 C ASN A 145 -14.766 4.154 -25.742 1.00 25.20 C ATOM 2289 O ASN A 145 -15.831 3.801 -26.236 1.00 51.22 O ATOM 2290 CB ASN A 145 -14.332 6.500 -25.092 1.00 1.52 C ATOM 2291 CG ASN A 145 -14.567 7.628 -24.116 1.00 24.54 C ATOM 2292 OD1 ASN A 145 -15.486 7.587 -23.304 1.00 14.41 O ATOM 2293 ND2 ASN A 145 -13.747 8.645 -24.185 1.00 2.30 N ATOM 0 H ASN A 145 -12.924 5.024 -23.481 1.00 5.20 H new ATOM 0 HA ASN A 145 -15.728 5.164 -24.117 1.00 43.43 H new ATOM 0 HB2 ASN A 145 -13.275 6.481 -25.358 1.00 1.52 H new ATOM 0 HB3 ASN A 145 -14.887 6.707 -26.007 1.00 1.52 H new ATOM 0 HD21 ASN A 145 -13.861 9.436 -23.552 1.00 2.30 H new ATOM 0 HD22 ASN A 145 -12.993 8.647 -24.872 1.00 2.30 H new ATOM 2300 N LYS A 146 -13.598 3.721 -26.185 1.00 73.14 N ATOM 2301 CA LYS A 146 -13.517 2.884 -27.373 1.00 14.22 C ATOM 2302 C LYS A 146 -13.776 1.424 -27.064 1.00 1.21 C ATOM 2303 O LYS A 146 -14.231 0.673 -27.932 1.00 54.20 O ATOM 2304 CB LYS A 146 -12.169 3.042 -28.090 1.00 32.44 C ATOM 2305 CG LYS A 146 -11.870 4.443 -28.617 1.00 4.24 C ATOM 2306 CD LYS A 146 -12.917 4.927 -29.617 1.00 62.32 C ATOM 2307 CE LYS A 146 -12.528 6.275 -30.200 1.00 62.13 C ATOM 2308 NZ LYS A 146 -13.565 6.824 -31.104 1.00 73.41 N ATOM 0 H LYS A 146 -12.701 3.931 -25.747 1.00 73.14 H new ATOM 0 HA LYS A 146 -14.305 3.230 -28.042 1.00 14.22 H new ATOM 0 HB2 LYS A 146 -11.374 2.753 -27.402 1.00 32.44 H new ATOM 0 HB3 LYS A 146 -12.137 2.343 -28.926 1.00 32.44 H new ATOM 0 HG2 LYS A 146 -11.822 5.140 -27.780 1.00 4.24 H new ATOM 0 HG3 LYS A 146 -10.889 4.447 -29.092 1.00 4.24 H new ATOM 0 HD2 LYS A 146 -13.024 4.197 -30.419 1.00 62.32 H new ATOM 0 HD3 LYS A 146 -13.887 5.005 -29.125 1.00 62.32 H new ATOM 0 HE2 LYS A 146 -12.349 6.980 -29.388 1.00 62.13 H new ATOM 0 HE3 LYS A 146 -11.591 6.174 -30.747 1.00 62.13 H new ATOM 0 HZ1 LYS A 146 -13.251 7.744 -31.475 1.00 73.41 H new ATOM 0 HZ2 LYS A 146 -13.720 6.167 -31.895 1.00 73.41 H new ATOM 0 HZ3 LYS A 146 -14.454 6.948 -30.578 1.00 73.41 H new ATOM 2322 N ASN A 147 -13.496 1.013 -25.849 1.00 71.22 N ATOM 2323 CA ASN A 147 -13.714 -0.372 -25.468 1.00 31.23 C ATOM 2324 C ASN A 147 -14.366 -0.487 -24.104 1.00 42.12 C ATOM 2325 O ASN A 147 -13.684 -0.740 -23.106 1.00 53.35 O ATOM 2326 CB ASN A 147 -12.420 -1.228 -25.497 1.00 20.34 C ATOM 2327 CG ASN A 147 -11.809 -1.405 -26.876 1.00 53.35 C ATOM 2328 OD1 ASN A 147 -12.147 -2.335 -27.597 1.00 65.11 O ATOM 2329 ND2 ASN A 147 -10.903 -0.535 -27.247 1.00 64.31 N ATOM 0 H ASN A 147 -13.120 1.608 -25.110 1.00 71.22 H new ATOM 0 HA ASN A 147 -14.391 -0.770 -26.224 1.00 31.23 H new ATOM 0 HB2 ASN A 147 -11.680 -0.767 -24.843 1.00 20.34 H new ATOM 0 HB3 ASN A 147 -12.642 -2.212 -25.083 1.00 20.34 H new ATOM 0 HD21 ASN A 147 -10.457 -0.621 -28.160 1.00 64.31 H new ATOM 0 HD22 ASN A 147 -10.644 0.229 -26.623 1.00 64.31 H new ATOM 2336 N PRO A 148 -15.689 -0.265 -24.012 1.00 63.52 N ATOM 2337 CA PRO A 148 -16.414 -0.414 -22.750 1.00 44.12 C ATOM 2338 C PRO A 148 -16.442 -1.880 -22.339 1.00 71.10 C ATOM 2339 O PRO A 148 -16.427 -2.214 -21.161 1.00 0.24 O ATOM 2340 CB PRO A 148 -17.836 0.079 -23.082 1.00 73.30 C ATOM 2341 CG PRO A 148 -17.694 0.834 -24.363 1.00 55.22 C ATOM 2342 CD PRO A 148 -16.579 0.165 -25.104 1.00 34.02 C ATOM 0 HA PRO A 148 -15.960 0.137 -21.927 1.00 44.12 H new ATOM 0 HB2 PRO A 148 -18.528 -0.756 -23.191 1.00 73.30 H new ATOM 0 HB3 PRO A 148 -18.228 0.717 -22.289 1.00 73.30 H new ATOM 0 HG2 PRO A 148 -18.619 0.806 -24.939 1.00 55.22 H new ATOM 0 HG3 PRO A 148 -17.466 1.883 -24.176 1.00 55.22 H new ATOM 0 HD2 PRO A 148 -16.933 -0.679 -25.696 1.00 34.02 H new ATOM 0 HD3 PRO A 148 -16.079 0.849 -25.790 1.00 34.02 H new ATOM 2350 N ASN A 149 -16.418 -2.751 -23.341 1.00 72.35 N ATOM 2351 CA ASN A 149 -16.433 -4.194 -23.125 1.00 72.44 C ATOM 2352 C ASN A 149 -15.011 -4.702 -22.947 1.00 24.41 C ATOM 2353 O ASN A 149 -14.773 -5.900 -22.758 1.00 23.24 O ATOM 2354 CB ASN A 149 -17.111 -4.915 -24.299 1.00 74.43 C ATOM 2355 CG ASN A 149 -18.561 -4.500 -24.500 1.00 64.34 C ATOM 2356 OD1 ASN A 149 -19.273 -4.160 -23.553 1.00 11.03 O ATOM 2357 ND2 ASN A 149 -19.010 -4.510 -25.732 1.00 70.31 N ATOM 0 H ASN A 149 -16.388 -2.479 -24.323 1.00 72.35 H new ATOM 0 HA ASN A 149 -17.005 -4.404 -22.222 1.00 72.44 H new ATOM 0 HB2 ASN A 149 -16.552 -4.713 -25.213 1.00 74.43 H new ATOM 0 HB3 ASN A 149 -17.068 -5.991 -24.130 1.00 74.43 H new ATOM 0 HD21 ASN A 149 -19.972 -4.232 -25.927 1.00 70.31 H new ATOM 0 HD22 ASN A 149 -18.397 -4.796 -26.496 1.00 70.31 H new ATOM 2364 N GLY A 150 -14.062 -3.777 -23.016 1.00 61.20 N ATOM 2365 CA GLY A 150 -12.676 -4.109 -22.800 1.00 64.23 C ATOM 2366 C GLY A 150 -12.393 -4.198 -21.328 1.00 55.51 C ATOM 2367 O GLY A 150 -11.461 -4.881 -20.891 1.00 15.23 O ATOM 0 H GLY A 150 -14.236 -2.793 -23.220 1.00 61.20 H new ATOM 0 HA2 GLY A 150 -12.441 -5.058 -23.282 1.00 64.23 H new ATOM 0 HA3 GLY A 150 -12.037 -3.353 -23.257 1.00 64.23 H new