USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1075 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 SER OG : rot 80:sc= 0.952 USER MOD Set 1.2: A 51 TYR OH : rot -111:sc= 1.1 USER MOD Single : A 8 SER OG : rot -29:sc= 0.169 USER MOD Single : A 9 HIS : no HD1:sc= -0.365 K(o=-0.36,f=-0.88) USER MOD Single : A 10 ASN : amide:sc= -0.717 K(o=-0.72,f=-4!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 32:sc= 0.218 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=-0.099) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=-0.025) USER MOD Single : A 44 TYR OH : rot -6:sc= 0.0508 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -163:sc= 0.0665 USER MOD Single : A 56 SER OG : rot 180:sc= 0.622 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.00027) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 0.133 (180deg=-0.000237) USER MOD Single : A 68 THR OG1 : rot -118:sc= 0.938 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 77 ASN : amide:sc= -0.97 X(o=-0.97,f=-1.3!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 165:sc= -1.46! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -151:sc= 0 (180deg=-0.456) USER MOD Single : A 98 ASN : amide:sc= 0.835 K(o=0.84,f=-1.1) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 162:sc= -0.09 (180deg=-0.449) USER MOD Single : A 106 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 107 TYR OH : rot 130:sc= 0.445 USER MOD Single : A 111 ASN : amide:sc= -0.198 K(o=-0.2,f=-0.89) USER MOD Single : A 112 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0.263) USER MOD Single : A 117 MET CE :methyl -163:sc= -0.463 (180deg=-1.14) USER MOD Single : A 130 HIS : no HE2:sc= -2.87! C(o=-2.9!,f=-4.2!) USER MOD Single : A 133 LYS NZ :NH3+ 146:sc= 0.969 (180deg=0.255) USER MOD Single : A 137 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 140 LYS NZ :NH3+ -168:sc= -0.0133 (180deg=-0.195) USER MOD Single : A 141 MET CE :methyl -163:sc= -0.873 (180deg=-1.59) USER MOD Single : A 145 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 146 LYS NZ :NH3+ 150:sc= 1.18 (180deg=0.459) USER MOD Single : A 147 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 149 ASN : amide:sc= -0.0879 X(o=-0.088,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 93 N SER A 8 7.283 -12.852 4.149 1.00 32.40 N ATOM 94 CA SER A 8 8.029 -12.046 3.248 1.00 31.10 C ATOM 95 C SER A 8 7.422 -10.673 3.118 1.00 33.00 C ATOM 96 O SER A 8 6.228 -10.531 2.870 1.00 43.55 O ATOM 97 CB SER A 8 8.127 -12.743 1.898 1.00 44.43 C ATOM 98 OG SER A 8 6.835 -13.103 1.419 1.00 65.02 O ATOM 0 HA SER A 8 9.036 -11.913 3.643 1.00 31.10 H new ATOM 0 HB2 SER A 8 8.616 -12.086 1.179 1.00 44.43 H new ATOM 0 HB3 SER A 8 8.748 -13.635 1.988 1.00 44.43 H new ATOM 0 HG SER A 8 6.240 -13.272 2.179 1.00 65.02 H new ATOM 104 N HIS A 9 8.238 -9.682 3.295 1.00 54.41 N ATOM 105 CA HIS A 9 7.809 -8.333 3.187 1.00 5.15 C ATOM 106 C HIS A 9 7.906 -7.877 1.786 1.00 53.15 C ATOM 107 O HIS A 9 8.725 -8.375 1.001 1.00 35.14 O ATOM 108 CB HIS A 9 8.604 -7.399 4.094 1.00 21.44 C ATOM 109 CG HIS A 9 8.327 -7.596 5.542 1.00 1.33 C ATOM 110 ND1 HIS A 9 9.267 -8.029 6.442 1.00 44.24 N ATOM 111 CD2 HIS A 9 7.200 -7.385 6.256 1.00 70.11 C ATOM 112 CE1 HIS A 9 8.726 -8.080 7.643 1.00 54.43 C ATOM 113 NE2 HIS A 9 7.477 -7.693 7.553 1.00 24.04 N ATOM 0 H HIS A 9 9.227 -9.792 3.520 1.00 54.41 H new ATOM 0 HA HIS A 9 6.769 -8.299 3.512 1.00 5.15 H new ATOM 0 HB2 HIS A 9 9.668 -7.549 3.913 1.00 21.44 H new ATOM 0 HB3 HIS A 9 8.378 -6.367 3.827 1.00 21.44 H new ATOM 0 HD2 HIS A 9 6.254 -7.036 5.869 1.00 70.11 H new ATOM 0 HE1 HIS A 9 9.227 -8.389 8.548 1.00 54.43 H new ATOM 0 HE2 HIS A 9 6.819 -7.632 8.330 1.00 24.04 H new ATOM 122 N ASN A 10 7.091 -6.949 1.479 1.00 43.30 N ATOM 123 CA ASN A 10 7.008 -6.380 0.177 1.00 31.52 C ATOM 124 C ASN A 10 6.972 -4.902 0.374 1.00 53.43 C ATOM 125 O ASN A 10 6.225 -4.422 1.215 1.00 53.40 O ATOM 126 CB ASN A 10 5.725 -6.830 -0.524 1.00 25.54 C ATOM 127 CG ASN A 10 5.598 -8.331 -0.760 1.00 42.11 C ATOM 128 OD1 ASN A 10 6.581 -9.044 -0.967 1.00 31.30 O ATOM 129 ND2 ASN A 10 4.382 -8.819 -0.715 1.00 53.00 N ATOM 0 H ASN A 10 6.434 -6.542 2.145 1.00 43.30 H new ATOM 0 HA ASN A 10 7.851 -6.691 -0.440 1.00 31.52 H new ATOM 0 HB2 ASN A 10 4.872 -6.500 0.069 1.00 25.54 H new ATOM 0 HB3 ASN A 10 5.660 -6.322 -1.486 1.00 25.54 H new ATOM 0 HD21 ASN A 10 4.228 -9.818 -0.854 1.00 53.00 H new ATOM 0 HD22 ASN A 10 3.590 -8.200 -0.541 1.00 53.00 H new ATOM 136 N VAL A 11 7.775 -4.177 -0.338 1.00 33.23 N ATOM 137 CA VAL A 11 7.837 -2.745 -0.139 1.00 41.15 C ATOM 138 C VAL A 11 7.382 -2.010 -1.381 1.00 30.01 C ATOM 139 O VAL A 11 7.987 -2.148 -2.425 1.00 62.45 O ATOM 140 CB VAL A 11 9.297 -2.299 0.172 1.00 44.10 C ATOM 141 CG1 VAL A 11 9.365 -0.821 0.538 1.00 30.43 C ATOM 142 CG2 VAL A 11 9.925 -3.162 1.253 1.00 60.14 C ATOM 0 H VAL A 11 8.397 -4.540 -1.060 1.00 33.23 H new ATOM 0 HA VAL A 11 7.182 -2.505 0.698 1.00 41.15 H new ATOM 0 HB VAL A 11 9.878 -2.439 -0.740 1.00 44.10 H new ATOM 0 HG11 VAL A 11 10.398 -0.545 0.748 1.00 30.43 H new ATOM 0 HG12 VAL A 11 8.992 -0.223 -0.293 1.00 30.43 H new ATOM 0 HG13 VAL A 11 8.753 -0.636 1.421 1.00 30.43 H new ATOM 0 HG21 VAL A 11 10.943 -2.822 1.444 1.00 60.14 H new ATOM 0 HG22 VAL A 11 9.338 -3.083 2.168 1.00 60.14 H new ATOM 0 HG23 VAL A 11 9.945 -4.201 0.923 1.00 60.14 H new ATOM 152 N PHE A 12 6.335 -1.225 -1.260 1.00 25.31 N ATOM 153 CA PHE A 12 5.898 -0.368 -2.353 1.00 14.31 C ATOM 154 C PHE A 12 6.625 0.932 -2.206 1.00 25.12 C ATOM 155 O PHE A 12 6.377 1.679 -1.253 1.00 31.45 O ATOM 156 CB PHE A 12 4.357 -0.125 -2.329 1.00 44.53 C ATOM 157 CG PHE A 12 3.834 0.837 -3.404 1.00 60.01 C ATOM 158 CD1 PHE A 12 3.829 2.209 -3.171 1.00 53.34 C ATOM 159 CD2 PHE A 12 3.349 0.378 -4.637 1.00 14.30 C ATOM 160 CE1 PHE A 12 3.366 3.089 -4.124 1.00 22.31 C ATOM 161 CE2 PHE A 12 2.888 1.267 -5.580 1.00 13.54 C ATOM 162 CZ PHE A 12 2.898 2.615 -5.327 1.00 61.14 C ATOM 0 H PHE A 12 5.766 -1.158 -0.416 1.00 25.31 H new ATOM 0 HA PHE A 12 6.120 -0.848 -3.306 1.00 14.31 H new ATOM 0 HB2 PHE A 12 3.852 -1.084 -2.444 1.00 44.53 H new ATOM 0 HB3 PHE A 12 4.081 0.265 -1.349 1.00 44.53 H new ATOM 0 HD1 PHE A 12 4.194 2.590 -2.228 1.00 53.34 H new ATOM 0 HD2 PHE A 12 3.337 -0.681 -4.848 1.00 14.30 H new ATOM 0 HE1 PHE A 12 3.371 4.151 -3.927 1.00 22.31 H new ATOM 0 HE2 PHE A 12 2.516 0.901 -6.526 1.00 13.54 H new ATOM 0 HZ PHE A 12 2.537 3.306 -6.075 1.00 61.14 H new ATOM 172 N VAL A 13 7.540 1.196 -3.076 1.00 4.20 N ATOM 173 CA VAL A 13 8.273 2.426 -2.987 1.00 11.11 C ATOM 174 C VAL A 13 8.409 3.052 -4.368 1.00 0.14 C ATOM 175 O VAL A 13 8.306 2.360 -5.383 1.00 13.14 O ATOM 176 CB VAL A 13 9.671 2.179 -2.334 1.00 33.42 C ATOM 177 CG1 VAL A 13 10.512 1.243 -3.176 1.00 54.12 C ATOM 178 CG2 VAL A 13 10.415 3.480 -2.036 1.00 10.03 C ATOM 0 H VAL A 13 7.801 0.588 -3.852 1.00 4.20 H new ATOM 0 HA VAL A 13 7.727 3.123 -2.351 1.00 11.11 H new ATOM 0 HB VAL A 13 9.489 1.697 -1.374 1.00 33.42 H new ATOM 0 HG11 VAL A 13 11.479 1.091 -2.696 1.00 54.12 H new ATOM 0 HG12 VAL A 13 10.001 0.285 -3.276 1.00 54.12 H new ATOM 0 HG13 VAL A 13 10.662 1.678 -4.164 1.00 54.12 H new ATOM 0 HG21 VAL A 13 11.380 3.252 -1.583 1.00 10.03 H new ATOM 0 HG22 VAL A 13 10.571 4.031 -2.964 1.00 10.03 H new ATOM 0 HG23 VAL A 13 9.826 4.087 -1.348 1.00 10.03 H new ATOM 188 N TYR A 14 8.581 4.354 -4.406 1.00 11.13 N ATOM 189 CA TYR A 14 8.819 5.048 -5.632 1.00 64.11 C ATOM 190 C TYR A 14 10.097 5.853 -5.506 1.00 3.13 C ATOM 191 O TYR A 14 10.103 6.969 -4.968 1.00 32.03 O ATOM 192 CB TYR A 14 7.621 5.920 -6.058 1.00 15.33 C ATOM 193 CG TYR A 14 7.832 6.638 -7.379 1.00 14.04 C ATOM 194 CD1 TYR A 14 8.048 5.924 -8.549 1.00 3.33 C ATOM 195 CD2 TYR A 14 7.812 8.022 -7.455 1.00 22.32 C ATOM 196 CE1 TYR A 14 8.242 6.567 -9.750 1.00 54.25 C ATOM 197 CE2 TYR A 14 8.003 8.674 -8.658 1.00 50.21 C ATOM 198 CZ TYR A 14 8.220 7.941 -9.801 1.00 43.24 C ATOM 199 OH TYR A 14 8.416 8.586 -11.006 1.00 25.25 O ATOM 0 H TYR A 14 8.558 4.954 -3.582 1.00 11.13 H new ATOM 0 HA TYR A 14 8.939 4.315 -6.430 1.00 64.11 H new ATOM 0 HB2 TYR A 14 6.733 5.292 -6.133 1.00 15.33 H new ATOM 0 HB3 TYR A 14 7.424 6.658 -5.280 1.00 15.33 H new ATOM 0 HD1 TYR A 14 8.064 4.845 -8.516 1.00 3.33 H new ATOM 0 HD2 TYR A 14 7.644 8.600 -6.559 1.00 22.32 H new ATOM 0 HE1 TYR A 14 8.411 5.994 -10.650 1.00 54.25 H new ATOM 0 HE2 TYR A 14 7.982 9.753 -8.700 1.00 50.21 H new ATOM 0 HH TYR A 14 8.369 9.555 -10.870 1.00 25.25 H new ATOM 209 N GLY A 15 11.179 5.238 -5.929 1.00 45.41 N ATOM 210 CA GLY A 15 12.471 5.850 -5.880 1.00 41.43 C ATOM 211 C GLY A 15 13.427 5.045 -5.023 1.00 22.11 C ATOM 212 O GLY A 15 13.075 3.949 -4.548 1.00 72.34 O ATOM 0 H GLY A 15 11.178 4.295 -6.317 1.00 45.41 H new ATOM 0 HA2 GLY A 15 12.872 5.941 -6.890 1.00 41.43 H new ATOM 0 HA3 GLY A 15 12.383 6.860 -5.480 1.00 41.43 H new ATOM 216 N SER A 16 14.623 5.566 -4.857 1.00 41.02 N ATOM 217 CA SER A 16 15.668 4.992 -4.015 1.00 13.43 C ATOM 218 C SER A 16 16.252 3.639 -4.516 1.00 23.54 C ATOM 219 O SER A 16 17.372 3.601 -5.026 1.00 42.33 O ATOM 220 CB SER A 16 15.231 4.921 -2.542 1.00 13.31 C ATOM 221 OG SER A 16 14.919 6.223 -2.046 1.00 23.02 O ATOM 0 H SER A 16 14.912 6.430 -5.317 1.00 41.02 H new ATOM 0 HA SER A 16 16.502 5.689 -4.094 1.00 13.43 H new ATOM 0 HB2 SER A 16 14.361 4.272 -2.446 1.00 13.31 H new ATOM 0 HB3 SER A 16 16.026 4.479 -1.942 1.00 13.31 H new ATOM 0 HG SER A 16 14.016 6.474 -2.332 1.00 23.02 H new ATOM 227 N ILE A 17 15.507 2.551 -4.390 1.00 2.14 N ATOM 228 CA ILE A 17 16.064 1.233 -4.700 1.00 52.25 C ATOM 229 C ILE A 17 15.322 0.520 -5.837 1.00 1.14 C ATOM 230 O ILE A 17 15.529 -0.666 -6.054 1.00 52.13 O ATOM 231 CB ILE A 17 16.119 0.278 -3.466 1.00 15.12 C ATOM 232 CG1 ILE A 17 14.727 -0.113 -2.953 1.00 70.35 C ATOM 233 CG2 ILE A 17 16.965 0.875 -2.340 1.00 34.32 C ATOM 234 CD1 ILE A 17 13.931 0.933 -2.205 1.00 41.22 C ATOM 0 H ILE A 17 14.535 2.547 -4.082 1.00 2.14 H new ATOM 0 HA ILE A 17 17.083 1.450 -5.020 1.00 52.25 H new ATOM 0 HB ILE A 17 16.597 -0.639 -3.810 1.00 15.12 H new ATOM 0 HG12 ILE A 17 14.134 -0.437 -3.808 1.00 70.35 H new ATOM 0 HG13 ILE A 17 14.842 -0.977 -2.299 1.00 70.35 H new ATOM 0 HG21 ILE A 17 16.984 0.187 -1.495 1.00 34.32 H new ATOM 0 HG22 ILE A 17 17.982 1.040 -2.697 1.00 34.32 H new ATOM 0 HG23 ILE A 17 16.533 1.825 -2.025 1.00 34.32 H new ATOM 0 HD11 ILE A 17 12.971 0.514 -1.905 1.00 41.22 H new ATOM 0 HD12 ILE A 17 14.483 1.246 -1.319 1.00 41.22 H new ATOM 0 HD13 ILE A 17 13.764 1.795 -2.852 1.00 41.22 H new ATOM 246 N LEU A 18 14.501 1.247 -6.593 1.00 74.02 N ATOM 247 CA LEU A 18 13.766 0.636 -7.723 1.00 63.22 C ATOM 248 C LEU A 18 14.684 0.387 -8.895 1.00 52.23 C ATOM 249 O LEU A 18 14.284 -0.191 -9.908 1.00 54.35 O ATOM 250 CB LEU A 18 12.586 1.490 -8.156 1.00 35.13 C ATOM 251 CG LEU A 18 11.492 1.689 -7.124 1.00 14.13 C ATOM 252 CD1 LEU A 18 10.350 2.486 -7.716 1.00 74.52 C ATOM 253 CD2 LEU A 18 11.006 0.351 -6.588 1.00 42.02 C ATOM 0 H LEU A 18 14.323 2.242 -6.456 1.00 74.02 H new ATOM 0 HA LEU A 18 13.378 -0.320 -7.371 1.00 63.22 H new ATOM 0 HB2 LEU A 18 12.962 2.470 -8.451 1.00 35.13 H new ATOM 0 HB3 LEU A 18 12.143 1.038 -9.043 1.00 35.13 H new ATOM 0 HG LEU A 18 11.903 2.253 -6.287 1.00 14.13 H new ATOM 0 HD11 LEU A 18 9.572 2.621 -6.964 1.00 74.52 H new ATOM 0 HD12 LEU A 18 10.716 3.461 -8.039 1.00 74.52 H new ATOM 0 HD13 LEU A 18 9.938 1.951 -8.572 1.00 74.52 H new ATOM 0 HD21 LEU A 18 10.222 0.518 -5.850 1.00 42.02 H new ATOM 0 HD22 LEU A 18 10.610 -0.248 -7.408 1.00 42.02 H new ATOM 0 HD23 LEU A 18 11.837 -0.178 -6.121 1.00 42.02 H new ATOM 265 N GLU A 19 15.893 0.864 -8.771 1.00 3.12 N ATOM 266 CA GLU A 19 16.925 0.583 -9.717 1.00 43.52 C ATOM 267 C GLU A 19 17.572 -0.736 -9.309 1.00 24.12 C ATOM 268 O GLU A 19 18.157 -0.823 -8.225 1.00 3.23 O ATOM 269 CB GLU A 19 17.948 1.719 -9.733 1.00 2.22 C ATOM 270 CG GLU A 19 17.369 3.044 -10.209 1.00 30.11 C ATOM 271 CD GLU A 19 18.364 4.173 -10.159 1.00 23.20 C ATOM 272 OE1 GLU A 19 19.317 4.177 -10.964 1.00 1.03 O ATOM 273 OE2 GLU A 19 18.198 5.089 -9.330 1.00 62.03 O ATOM 0 H GLU A 19 16.187 1.464 -8.000 1.00 3.12 H new ATOM 0 HA GLU A 19 16.519 0.501 -10.725 1.00 43.52 H new ATOM 0 HB2 GLU A 19 18.354 1.847 -8.730 1.00 2.22 H new ATOM 0 HB3 GLU A 19 18.780 1.441 -10.380 1.00 2.22 H new ATOM 0 HG2 GLU A 19 17.008 2.930 -11.231 1.00 30.11 H new ATOM 0 HG3 GLU A 19 16.507 3.300 -9.593 1.00 30.11 H new ATOM 280 N PRO A 20 17.440 -1.786 -10.161 1.00 44.33 N ATOM 281 CA PRO A 20 17.926 -3.157 -9.879 1.00 10.45 C ATOM 282 C PRO A 20 19.314 -3.223 -9.229 1.00 3.52 C ATOM 283 O PRO A 20 19.510 -3.969 -8.273 1.00 71.04 O ATOM 284 CB PRO A 20 17.937 -3.809 -11.255 1.00 50.22 C ATOM 285 CG PRO A 20 16.818 -3.148 -11.979 1.00 34.32 C ATOM 286 CD PRO A 20 16.779 -1.722 -11.485 1.00 42.45 C ATOM 0 HA PRO A 20 17.288 -3.653 -9.147 1.00 10.45 H new ATOM 0 HB2 PRO A 20 18.888 -3.652 -11.763 1.00 50.22 H new ATOM 0 HB3 PRO A 20 17.786 -4.886 -11.187 1.00 50.22 H new ATOM 0 HG2 PRO A 20 16.978 -3.182 -13.057 1.00 34.32 H new ATOM 0 HG3 PRO A 20 15.873 -3.654 -11.781 1.00 34.32 H new ATOM 0 HD2 PRO A 20 17.306 -1.050 -12.162 1.00 42.45 H new ATOM 0 HD3 PRO A 20 15.756 -1.355 -11.404 1.00 42.45 H new ATOM 294 N ALA A 21 20.255 -2.429 -9.733 1.00 4.11 N ATOM 295 CA ALA A 21 21.615 -2.405 -9.190 1.00 3.52 C ATOM 296 C ALA A 21 21.622 -2.005 -7.712 1.00 72.35 C ATOM 297 O ALA A 21 22.294 -2.618 -6.893 1.00 21.51 O ATOM 298 CB ALA A 21 22.482 -1.453 -9.995 1.00 53.32 C ATOM 0 H ALA A 21 20.103 -1.793 -10.516 1.00 4.11 H new ATOM 0 HA ALA A 21 22.023 -3.413 -9.264 1.00 3.52 H new ATOM 0 HB1 ALA A 21 23.491 -1.443 -9.583 1.00 53.32 H new ATOM 0 HB2 ALA A 21 22.518 -1.783 -11.033 1.00 53.32 H new ATOM 0 HB3 ALA A 21 22.061 -0.449 -9.948 1.00 53.32 H new ATOM 304 N VAL A 22 20.836 -1.005 -7.383 1.00 1.32 N ATOM 305 CA VAL A 22 20.762 -0.486 -6.027 1.00 62.13 C ATOM 306 C VAL A 22 20.039 -1.485 -5.115 1.00 55.25 C ATOM 307 O VAL A 22 20.426 -1.695 -3.959 1.00 55.11 O ATOM 308 CB VAL A 22 20.039 0.888 -5.985 1.00 40.12 C ATOM 309 CG1 VAL A 22 20.040 1.457 -4.578 1.00 74.33 C ATOM 310 CG2 VAL A 22 20.691 1.863 -6.953 1.00 45.53 C ATOM 0 H VAL A 22 20.227 -0.525 -8.046 1.00 1.32 H new ATOM 0 HA VAL A 22 21.782 -0.344 -5.669 1.00 62.13 H new ATOM 0 HB VAL A 22 19.004 0.736 -6.290 1.00 40.12 H new ATOM 0 HG11 VAL A 22 19.528 2.419 -4.574 1.00 74.33 H new ATOM 0 HG12 VAL A 22 19.525 0.769 -3.907 1.00 74.33 H new ATOM 0 HG13 VAL A 22 21.068 1.591 -4.241 1.00 74.33 H new ATOM 0 HG21 VAL A 22 20.172 2.820 -6.910 1.00 45.53 H new ATOM 0 HG22 VAL A 22 21.736 2.005 -6.678 1.00 45.53 H new ATOM 0 HG23 VAL A 22 20.633 1.464 -7.966 1.00 45.53 H new ATOM 320 N ALA A 23 19.012 -2.117 -5.640 1.00 64.03 N ATOM 321 CA ALA A 23 18.287 -3.125 -4.885 1.00 15.12 C ATOM 322 C ALA A 23 19.191 -4.329 -4.615 1.00 61.00 C ATOM 323 O ALA A 23 19.118 -4.969 -3.554 1.00 62.33 O ATOM 324 CB ALA A 23 17.039 -3.548 -5.630 1.00 62.25 C ATOM 0 H ALA A 23 18.658 -1.954 -6.583 1.00 64.03 H new ATOM 0 HA ALA A 23 17.983 -2.698 -3.929 1.00 15.12 H new ATOM 0 HB1 ALA A 23 16.508 -4.303 -5.051 1.00 62.25 H new ATOM 0 HB2 ALA A 23 16.393 -2.683 -5.778 1.00 62.25 H new ATOM 0 HB3 ALA A 23 17.317 -3.963 -6.599 1.00 62.25 H new ATOM 330 N ALA A 24 20.081 -4.598 -5.554 1.00 24.22 N ATOM 331 CA ALA A 24 21.009 -5.705 -5.442 1.00 75.34 C ATOM 332 C ALA A 24 22.130 -5.410 -4.449 1.00 12.33 C ATOM 333 O ALA A 24 22.828 -6.319 -4.012 1.00 22.42 O ATOM 334 CB ALA A 24 21.583 -6.081 -6.800 1.00 62.11 C ATOM 0 H ALA A 24 20.179 -4.056 -6.412 1.00 24.22 H new ATOM 0 HA ALA A 24 20.445 -6.556 -5.060 1.00 75.34 H new ATOM 0 HB1 ALA A 24 22.276 -6.914 -6.684 1.00 62.11 H new ATOM 0 HB2 ALA A 24 20.773 -6.373 -7.469 1.00 62.11 H new ATOM 0 HB3 ALA A 24 22.112 -5.226 -7.221 1.00 62.11 H new ATOM 340 N VAL A 25 22.322 -4.147 -4.093 1.00 3.11 N ATOM 341 CA VAL A 25 23.346 -3.828 -3.115 1.00 44.20 C ATOM 342 C VAL A 25 22.763 -3.771 -1.700 1.00 65.04 C ATOM 343 O VAL A 25 23.429 -4.154 -0.737 1.00 24.01 O ATOM 344 CB VAL A 25 24.177 -2.545 -3.449 1.00 15.13 C ATOM 345 CG1 VAL A 25 24.805 -2.653 -4.829 1.00 50.01 C ATOM 346 CG2 VAL A 25 23.360 -1.279 -3.326 1.00 32.41 C ATOM 0 H VAL A 25 21.799 -3.350 -4.455 1.00 3.11 H new ATOM 0 HA VAL A 25 24.061 -4.649 -3.162 1.00 44.20 H new ATOM 0 HB VAL A 25 24.973 -2.480 -2.708 1.00 15.13 H new ATOM 0 HG11 VAL A 25 25.378 -1.750 -5.040 1.00 50.01 H new ATOM 0 HG12 VAL A 25 25.467 -3.518 -4.861 1.00 50.01 H new ATOM 0 HG13 VAL A 25 24.021 -2.768 -5.577 1.00 50.01 H new ATOM 0 HG21 VAL A 25 23.984 -0.419 -3.568 1.00 32.41 H new ATOM 0 HG22 VAL A 25 22.517 -1.322 -4.015 1.00 32.41 H new ATOM 0 HG23 VAL A 25 22.990 -1.183 -2.305 1.00 32.41 H new ATOM 356 N ILE A 26 21.507 -3.327 -1.578 1.00 74.11 N ATOM 357 CA ILE A 26 20.848 -3.281 -0.283 1.00 11.12 C ATOM 358 C ILE A 26 20.488 -4.681 0.200 1.00 32.01 C ATOM 359 O ILE A 26 20.789 -5.047 1.328 1.00 21.24 O ATOM 360 CB ILE A 26 19.610 -2.328 -0.270 1.00 22.22 C ATOM 361 CG1 ILE A 26 18.983 -2.300 1.124 1.00 34.23 C ATOM 362 CG2 ILE A 26 18.598 -2.718 -1.325 1.00 54.14 C ATOM 363 CD1 ILE A 26 18.230 -1.060 1.396 1.00 13.55 C ATOM 0 H ILE A 26 20.937 -2.999 -2.357 1.00 74.11 H new ATOM 0 HA ILE A 26 21.564 -2.857 0.421 1.00 11.12 H new ATOM 0 HB ILE A 26 19.950 -1.322 -0.514 1.00 22.22 H new ATOM 0 HG12 ILE A 26 18.315 -3.155 1.233 1.00 34.23 H new ATOM 0 HG13 ILE A 26 19.768 -2.412 1.871 1.00 34.23 H new ATOM 0 HG21 ILE A 26 17.751 -2.034 -1.287 1.00 54.14 H new ATOM 0 HG22 ILE A 26 19.061 -2.667 -2.310 1.00 54.14 H new ATOM 0 HG23 ILE A 26 18.252 -3.735 -1.139 1.00 54.14 H new ATOM 0 HD11 ILE A 26 17.810 -1.102 2.401 1.00 13.55 H new ATOM 0 HD12 ILE A 26 18.899 -0.203 1.318 1.00 13.55 H new ATOM 0 HD13 ILE A 26 17.424 -0.957 0.670 1.00 13.55 H new ATOM 375 N LEU A 27 19.899 -5.478 -0.671 1.00 23.14 N ATOM 376 CA LEU A 27 19.541 -6.839 -0.322 1.00 45.44 C ATOM 377 C LEU A 27 20.698 -7.768 -0.538 1.00 50.10 C ATOM 378 O LEU A 27 20.647 -8.922 -0.129 1.00 61.20 O ATOM 379 CB LEU A 27 18.326 -7.317 -1.119 1.00 63.41 C ATOM 380 CG LEU A 27 17.005 -6.616 -0.815 1.00 2.13 C ATOM 381 CD1 LEU A 27 15.905 -7.146 -1.709 1.00 61.24 C ATOM 382 CD2 LEU A 27 16.633 -6.821 0.639 1.00 71.30 C ATOM 0 H LEU A 27 19.659 -5.207 -1.624 1.00 23.14 H new ATOM 0 HA LEU A 27 19.279 -6.847 0.736 1.00 45.44 H new ATOM 0 HB2 LEU A 27 18.543 -7.195 -2.180 1.00 63.41 H new ATOM 0 HB3 LEU A 27 18.197 -8.384 -0.940 1.00 63.41 H new ATOM 0 HG LEU A 27 17.126 -5.550 -1.007 1.00 2.13 H new ATOM 0 HD11 LEU A 27 14.970 -6.635 -1.478 1.00 61.24 H new ATOM 0 HD12 LEU A 27 16.167 -6.969 -2.752 1.00 61.24 H new ATOM 0 HD13 LEU A 27 15.784 -8.216 -1.542 1.00 61.24 H new ATOM 0 HD21 LEU A 27 15.689 -6.317 0.848 1.00 71.30 H new ATOM 0 HD22 LEU A 27 16.528 -7.887 0.841 1.00 71.30 H new ATOM 0 HD23 LEU A 27 17.414 -6.406 1.276 1.00 71.30 H new ATOM 394 N ASP A 28 21.738 -7.264 -1.229 1.00 32.40 N ATOM 395 CA ASP A 28 22.967 -8.039 -1.529 1.00 42.15 C ATOM 396 C ASP A 28 22.641 -9.215 -2.472 1.00 72.00 C ATOM 397 O ASP A 28 23.478 -10.065 -2.777 1.00 74.33 O ATOM 398 CB ASP A 28 23.627 -8.510 -0.201 1.00 62.03 C ATOM 399 CG ASP A 28 24.884 -9.330 -0.370 1.00 13.14 C ATOM 400 OD1 ASP A 28 25.939 -8.758 -0.724 1.00 12.21 O ATOM 401 OD2 ASP A 28 24.848 -10.550 -0.088 1.00 4.14 O ATOM 0 H ASP A 28 21.755 -6.312 -1.596 1.00 32.40 H new ATOM 0 HA ASP A 28 23.686 -7.405 -2.048 1.00 42.15 H new ATOM 0 HB2 ASP A 28 23.862 -7.633 0.402 1.00 62.03 H new ATOM 0 HB3 ASP A 28 22.900 -9.098 0.360 1.00 62.03 H new ATOM 406 N ARG A 29 21.418 -9.210 -2.975 1.00 55.42 N ATOM 407 CA ARG A 29 20.894 -10.283 -3.793 1.00 75.24 C ATOM 408 C ARG A 29 19.976 -9.708 -4.842 1.00 53.31 C ATOM 409 O ARG A 29 19.747 -8.492 -4.867 1.00 54.21 O ATOM 410 CB ARG A 29 20.114 -11.274 -2.914 1.00 64.42 C ATOM 411 CG ARG A 29 20.956 -11.933 -1.844 1.00 2.44 C ATOM 412 CD ARG A 29 20.145 -12.844 -0.965 1.00 70.40 C ATOM 413 NE ARG A 29 20.971 -13.420 0.088 1.00 61.21 N ATOM 414 CZ ARG A 29 20.515 -13.983 1.204 1.00 3.25 C ATOM 415 NH1 ARG A 29 19.206 -14.119 1.403 1.00 31.15 N ATOM 416 NH2 ARG A 29 21.375 -14.410 2.113 1.00 15.43 N ATOM 0 H ARG A 29 20.755 -8.450 -2.823 1.00 55.42 H new ATOM 0 HA ARG A 29 21.719 -10.806 -4.276 1.00 75.24 H new ATOM 0 HB2 ARG A 29 19.285 -10.750 -2.439 1.00 64.42 H new ATOM 0 HB3 ARG A 29 19.681 -12.046 -3.550 1.00 64.42 H new ATOM 0 HG2 ARG A 29 21.757 -12.503 -2.314 1.00 2.44 H new ATOM 0 HG3 ARG A 29 21.428 -11.165 -1.231 1.00 2.44 H new ATOM 0 HD2 ARG A 29 19.319 -12.288 -0.522 1.00 70.40 H new ATOM 0 HD3 ARG A 29 19.707 -13.641 -1.566 1.00 70.40 H new ATOM 0 HE ARG A 29 21.982 -13.389 -0.041 1.00 61.21 H new ATOM 0 HH11 ARG A 29 18.546 -13.791 0.698 1.00 31.15 H new ATOM 0 HH12 ARG A 29 18.863 -14.551 2.261 1.00 31.15 H new ATOM 0 HH21 ARG A 29 22.377 -14.306 1.955 1.00 15.43 H new ATOM 0 HH22 ARG A 29 21.036 -14.843 2.972 1.00 15.43 H new ATOM 430 N THR A 30 19.438 -10.556 -5.686 1.00 0.34 N ATOM 431 CA THR A 30 18.553 -10.124 -6.723 1.00 40.01 C ATOM 432 C THR A 30 17.166 -9.812 -6.162 1.00 22.21 C ATOM 433 O THR A 30 16.429 -10.707 -5.718 1.00 72.04 O ATOM 434 CB THR A 30 18.462 -11.177 -7.850 1.00 42.33 C ATOM 435 OG1 THR A 30 18.107 -12.459 -7.305 1.00 44.35 O ATOM 436 CG2 THR A 30 19.789 -11.295 -8.574 1.00 33.32 C ATOM 0 H THR A 30 19.606 -11.562 -5.667 1.00 0.34 H new ATOM 0 HA THR A 30 18.962 -9.208 -7.149 1.00 40.01 H new ATOM 0 HB THR A 30 17.695 -10.855 -8.554 1.00 42.33 H new ATOM 0 HG1 THR A 30 17.526 -12.334 -6.526 1.00 44.35 H new ATOM 0 HG21 THR A 30 19.707 -12.041 -9.365 1.00 33.32 H new ATOM 0 HG22 THR A 30 20.052 -10.331 -9.010 1.00 33.32 H new ATOM 0 HG23 THR A 30 20.563 -11.598 -7.868 1.00 33.32 H new ATOM 444 N ALA A 31 16.825 -8.552 -6.172 1.00 34.13 N ATOM 445 CA ALA A 31 15.557 -8.111 -5.674 1.00 44.21 C ATOM 446 C ALA A 31 14.499 -8.278 -6.723 1.00 55.31 C ATOM 447 O ALA A 31 14.767 -8.102 -7.921 1.00 11.41 O ATOM 448 CB ALA A 31 15.635 -6.663 -5.262 1.00 10.05 C ATOM 0 H ALA A 31 17.421 -7.804 -6.527 1.00 34.13 H new ATOM 0 HA ALA A 31 15.297 -8.718 -4.806 1.00 44.21 H new ATOM 0 HB1 ALA A 31 14.665 -6.339 -4.885 1.00 10.05 H new ATOM 0 HB2 ALA A 31 16.385 -6.547 -4.480 1.00 10.05 H new ATOM 0 HB3 ALA A 31 15.911 -6.054 -6.123 1.00 10.05 H new ATOM 454 N ASP A 32 13.330 -8.661 -6.310 1.00 12.03 N ATOM 455 CA ASP A 32 12.228 -8.759 -7.221 1.00 0.14 C ATOM 456 C ASP A 32 11.353 -7.543 -7.086 1.00 53.31 C ATOM 457 O ASP A 32 10.705 -7.353 -6.055 1.00 73.31 O ATOM 458 CB ASP A 32 11.403 -10.027 -6.963 1.00 23.13 C ATOM 459 CG ASP A 32 10.177 -10.151 -7.869 1.00 11.12 C ATOM 460 OD1 ASP A 32 10.308 -10.684 -8.995 1.00 51.43 O ATOM 461 OD2 ASP A 32 9.066 -9.743 -7.455 1.00 23.21 O ATOM 0 H ASP A 32 13.113 -8.912 -5.345 1.00 12.03 H new ATOM 0 HA ASP A 32 12.625 -8.816 -8.234 1.00 0.14 H new ATOM 0 HB2 ASP A 32 12.040 -10.900 -7.105 1.00 23.13 H new ATOM 0 HB3 ASP A 32 11.078 -10.034 -5.922 1.00 23.13 H new ATOM 466 N THR A 33 11.366 -6.706 -8.077 1.00 25.42 N ATOM 467 CA THR A 33 10.454 -5.619 -8.115 1.00 12.20 C ATOM 468 C THR A 33 9.517 -5.808 -9.260 1.00 71.12 C ATOM 469 O THR A 33 9.909 -6.296 -10.332 1.00 5.22 O ATOM 470 CB THR A 33 11.124 -4.207 -8.206 1.00 21.22 C ATOM 471 OG1 THR A 33 12.267 -4.195 -9.080 1.00 74.15 O ATOM 472 CG2 THR A 33 11.447 -3.608 -6.844 1.00 1.11 C ATOM 0 H THR A 33 12.004 -6.760 -8.871 1.00 25.42 H new ATOM 0 HA THR A 33 9.926 -5.630 -7.161 1.00 12.20 H new ATOM 0 HB THR A 33 10.372 -3.557 -8.655 1.00 21.22 H new ATOM 0 HG1 THR A 33 12.650 -3.293 -9.106 1.00 74.15 H new ATOM 0 HG21 THR A 33 11.909 -2.630 -6.977 1.00 1.11 H new ATOM 0 HG22 THR A 33 10.529 -3.500 -6.267 1.00 1.11 H new ATOM 0 HG23 THR A 33 12.135 -4.265 -6.311 1.00 1.11 H new ATOM 480 N VAL A 34 8.306 -5.449 -9.051 1.00 21.03 N ATOM 481 CA VAL A 34 7.290 -5.521 -10.056 1.00 21.44 C ATOM 482 C VAL A 34 6.406 -4.318 -9.905 1.00 52.32 C ATOM 483 O VAL A 34 6.170 -3.866 -8.768 1.00 12.23 O ATOM 484 CB VAL A 34 6.425 -6.833 -9.967 1.00 64.13 C ATOM 485 CG1 VAL A 34 7.241 -8.074 -10.316 1.00 53.43 C ATOM 486 CG2 VAL A 34 5.821 -6.990 -8.582 1.00 5.24 C ATOM 0 H VAL A 34 7.976 -5.086 -8.157 1.00 21.03 H new ATOM 0 HA VAL A 34 7.776 -5.542 -11.031 1.00 21.44 H new ATOM 0 HB VAL A 34 5.623 -6.736 -10.699 1.00 64.13 H new ATOM 0 HG11 VAL A 34 6.608 -8.958 -10.243 1.00 53.43 H new ATOM 0 HG12 VAL A 34 7.623 -7.984 -11.333 1.00 53.43 H new ATOM 0 HG13 VAL A 34 8.076 -8.167 -9.622 1.00 53.43 H new ATOM 0 HG21 VAL A 34 5.228 -7.904 -8.545 1.00 5.24 H new ATOM 0 HG22 VAL A 34 6.619 -7.045 -7.841 1.00 5.24 H new ATOM 0 HG23 VAL A 34 5.182 -6.134 -8.364 1.00 5.24 H new ATOM 496 N PRO A 35 5.957 -3.731 -11.016 1.00 43.11 N ATOM 497 CA PRO A 35 5.061 -2.609 -10.962 1.00 71.34 C ATOM 498 C PRO A 35 3.779 -2.988 -10.243 1.00 73.32 C ATOM 499 O PRO A 35 3.225 -4.083 -10.455 1.00 41.04 O ATOM 500 CB PRO A 35 4.793 -2.223 -12.422 1.00 32.11 C ATOM 501 CG PRO A 35 5.447 -3.263 -13.273 1.00 24.50 C ATOM 502 CD PRO A 35 6.315 -4.116 -12.387 1.00 25.34 C ATOM 0 HA PRO A 35 5.486 -1.772 -10.408 1.00 71.34 H new ATOM 0 HB2 PRO A 35 3.722 -2.180 -12.620 1.00 32.11 H new ATOM 0 HB3 PRO A 35 5.198 -1.235 -12.641 1.00 32.11 H new ATOM 0 HG2 PRO A 35 4.695 -3.875 -13.771 1.00 24.50 H new ATOM 0 HG3 PRO A 35 6.045 -2.794 -14.054 1.00 24.50 H new ATOM 0 HD2 PRO A 35 6.132 -5.177 -12.559 1.00 25.34 H new ATOM 0 HD3 PRO A 35 7.373 -3.939 -12.583 1.00 25.34 H new ATOM 510 N ALA A 36 3.341 -2.124 -9.383 1.00 22.34 N ATOM 511 CA ALA A 36 2.176 -2.344 -8.592 1.00 41.23 C ATOM 512 C ALA A 36 1.495 -1.055 -8.300 1.00 33.42 C ATOM 513 O ALA A 36 2.102 0.018 -8.380 1.00 33.43 O ATOM 514 CB ALA A 36 2.495 -3.076 -7.322 1.00 35.14 C ATOM 0 H ALA A 36 3.794 -1.227 -9.209 1.00 22.34 H new ATOM 0 HA ALA A 36 1.500 -2.975 -9.169 1.00 41.23 H new ATOM 0 HB1 ALA A 36 1.580 -3.224 -6.748 1.00 35.14 H new ATOM 0 HB2 ALA A 36 2.934 -4.045 -7.561 1.00 35.14 H new ATOM 0 HB3 ALA A 36 3.203 -2.492 -6.733 1.00 35.14 H new ATOM 520 N VAL A 37 0.248 -1.147 -7.997 1.00 21.14 N ATOM 521 CA VAL A 37 -0.567 -0.004 -7.797 1.00 12.44 C ATOM 522 C VAL A 37 -1.060 0.079 -6.376 1.00 30.24 C ATOM 523 O VAL A 37 -1.720 -0.835 -5.895 1.00 1.21 O ATOM 524 CB VAL A 37 -1.805 -0.085 -8.662 1.00 54.14 C ATOM 525 CG1 VAL A 37 -2.593 1.168 -8.618 1.00 62.44 C ATOM 526 CG2 VAL A 37 -1.528 -0.554 -10.069 1.00 52.11 C ATOM 0 H VAL A 37 -0.241 -2.034 -7.879 1.00 21.14 H new ATOM 0 HA VAL A 37 0.047 0.862 -8.045 1.00 12.44 H new ATOM 0 HB VAL A 37 -2.428 -0.865 -8.224 1.00 54.14 H new ATOM 0 HG11 VAL A 37 -3.473 1.067 -9.253 1.00 62.44 H new ATOM 0 HG12 VAL A 37 -2.906 1.365 -7.593 1.00 62.44 H new ATOM 0 HG13 VAL A 37 -1.981 1.996 -8.976 1.00 62.44 H new ATOM 0 HG21 VAL A 37 -2.461 -0.588 -10.632 1.00 52.11 H new ATOM 0 HG22 VAL A 37 -0.837 0.136 -10.553 1.00 52.11 H new ATOM 0 HG23 VAL A 37 -1.085 -1.550 -10.040 1.00 52.11 H new ATOM 536 N LEU A 38 -0.794 1.168 -5.736 1.00 54.55 N ATOM 537 CA LEU A 38 -1.293 1.390 -4.431 1.00 72.13 C ATOM 538 C LEU A 38 -2.546 2.239 -4.466 1.00 62.02 C ATOM 539 O LEU A 38 -2.484 3.472 -4.451 1.00 45.24 O ATOM 540 CB LEU A 38 -0.243 1.999 -3.502 1.00 75.13 C ATOM 541 CG LEU A 38 -0.725 2.374 -2.096 1.00 42.32 C ATOM 542 CD1 LEU A 38 -1.454 1.218 -1.436 1.00 62.51 C ATOM 543 CD2 LEU A 38 0.453 2.778 -1.254 1.00 52.11 C ATOM 0 H LEU A 38 -0.223 1.927 -6.108 1.00 54.55 H new ATOM 0 HA LEU A 38 -1.551 0.414 -4.020 1.00 72.13 H new ATOM 0 HB2 LEU A 38 0.581 1.292 -3.405 1.00 75.13 H new ATOM 0 HB3 LEU A 38 0.159 2.894 -3.977 1.00 75.13 H new ATOM 0 HG LEU A 38 -1.423 3.207 -2.184 1.00 42.32 H new ATOM 0 HD11 LEU A 38 -1.783 1.516 -0.440 1.00 62.51 H new ATOM 0 HD12 LEU A 38 -2.321 0.943 -2.037 1.00 62.51 H new ATOM 0 HD13 LEU A 38 -0.783 0.363 -1.355 1.00 62.51 H new ATOM 0 HD21 LEU A 38 0.111 3.045 -0.254 1.00 52.11 H new ATOM 0 HD22 LEU A 38 1.155 1.947 -1.188 1.00 52.11 H new ATOM 0 HD23 LEU A 38 0.948 3.636 -1.709 1.00 52.11 H new ATOM 555 N HIS A 39 -3.656 1.577 -4.633 1.00 23.31 N ATOM 556 CA HIS A 39 -4.953 2.193 -4.500 1.00 4.14 C ATOM 557 C HIS A 39 -5.132 2.706 -3.059 1.00 12.14 C ATOM 558 O HIS A 39 -4.825 1.991 -2.096 1.00 74.44 O ATOM 559 CB HIS A 39 -6.083 1.179 -4.854 1.00 34.41 C ATOM 560 CG HIS A 39 -6.084 -0.099 -4.027 1.00 24.23 C ATOM 561 ND1 HIS A 39 -5.482 -1.263 -4.445 1.00 3.10 N ATOM 562 CD2 HIS A 39 -6.598 -0.372 -2.801 1.00 44.21 C ATOM 563 CE1 HIS A 39 -5.620 -2.189 -3.514 1.00 22.04 C ATOM 564 NE2 HIS A 39 -6.291 -1.673 -2.507 1.00 20.13 N ATOM 0 H HIS A 39 -3.690 0.585 -4.868 1.00 23.31 H new ATOM 0 HA HIS A 39 -5.019 3.031 -5.194 1.00 4.14 H new ATOM 0 HB2 HIS A 39 -7.046 1.674 -4.731 1.00 34.41 H new ATOM 0 HB3 HIS A 39 -5.994 0.912 -5.907 1.00 34.41 H new ATOM 0 HD2 HIS A 39 -7.149 0.312 -2.172 1.00 44.21 H new ATOM 0 HE1 HIS A 39 -5.245 -3.200 -3.570 1.00 22.04 H new ATOM 0 HE2 HIS A 39 -6.541 -2.162 -1.648 1.00 20.13 H new ATOM 573 N GLY A 40 -5.578 3.912 -2.916 1.00 63.55 N ATOM 574 CA GLY A 40 -5.831 4.442 -1.604 1.00 71.41 C ATOM 575 C GLY A 40 -4.918 5.577 -1.261 1.00 21.51 C ATOM 576 O GLY A 40 -5.236 6.390 -0.413 1.00 14.10 O ATOM 0 H GLY A 40 -5.776 4.552 -3.685 1.00 63.55 H new ATOM 0 HA2 GLY A 40 -6.865 4.781 -1.545 1.00 71.41 H new ATOM 0 HA3 GLY A 40 -5.713 3.649 -0.866 1.00 71.41 H new ATOM 580 N TYR A 41 -3.776 5.626 -1.895 1.00 43.44 N ATOM 581 CA TYR A 41 -2.846 6.688 -1.670 1.00 3.30 C ATOM 582 C TYR A 41 -2.738 7.610 -2.840 1.00 70.51 C ATOM 583 O TYR A 41 -3.104 7.257 -3.952 1.00 51.52 O ATOM 584 CB TYR A 41 -1.488 6.165 -1.242 1.00 33.43 C ATOM 585 CG TYR A 41 -1.461 5.750 0.197 1.00 54.04 C ATOM 586 CD1 TYR A 41 -1.953 4.522 0.612 1.00 41.02 C ATOM 587 CD2 TYR A 41 -0.971 6.616 1.153 1.00 45.40 C ATOM 588 CE1 TYR A 41 -1.946 4.173 1.936 1.00 74.20 C ATOM 589 CE2 TYR A 41 -0.965 6.275 2.484 1.00 52.10 C ATOM 590 CZ TYR A 41 -1.455 5.049 2.871 1.00 43.21 C ATOM 591 OH TYR A 41 -1.460 4.698 4.203 1.00 74.12 O ATOM 0 H TYR A 41 -3.470 4.932 -2.577 1.00 43.44 H new ATOM 0 HA TYR A 41 -3.244 7.278 -0.844 1.00 3.30 H new ATOM 0 HB2 TYR A 41 -1.216 5.315 -1.867 1.00 33.43 H new ATOM 0 HB3 TYR A 41 -0.736 6.936 -1.409 1.00 33.43 H new ATOM 0 HD1 TYR A 41 -2.347 3.831 -0.119 1.00 41.02 H new ATOM 0 HD2 TYR A 41 -0.586 7.578 0.850 1.00 45.40 H new ATOM 0 HE1 TYR A 41 -2.326 3.210 2.244 1.00 74.20 H new ATOM 0 HE2 TYR A 41 -0.579 6.964 3.221 1.00 52.10 H new ATOM 0 HH TYR A 41 -1.078 5.427 4.735 1.00 74.12 H new ATOM 601 N HIS A 42 -2.238 8.793 -2.589 1.00 2.13 N ATOM 602 CA HIS A 42 -2.089 9.785 -3.614 1.00 70.24 C ATOM 603 C HIS A 42 -0.686 10.330 -3.509 1.00 5.31 C ATOM 604 O HIS A 42 -0.275 10.734 -2.422 1.00 31.43 O ATOM 605 CB HIS A 42 -3.115 10.909 -3.375 1.00 2.15 C ATOM 606 CG HIS A 42 -3.208 11.925 -4.463 1.00 64.44 C ATOM 607 ND1 HIS A 42 -4.082 12.981 -4.420 1.00 44.53 N ATOM 608 CD2 HIS A 42 -2.586 12.002 -5.650 1.00 73.32 C ATOM 609 CE1 HIS A 42 -4.005 13.656 -5.533 1.00 24.02 C ATOM 610 NE2 HIS A 42 -3.104 13.085 -6.314 1.00 22.35 N ATOM 0 H HIS A 42 -1.923 9.092 -1.666 1.00 2.13 H new ATOM 0 HA HIS A 42 -2.258 9.364 -4.605 1.00 70.24 H new ATOM 0 HB2 HIS A 42 -4.098 10.459 -3.235 1.00 2.15 H new ATOM 0 HB3 HIS A 42 -2.862 11.418 -2.445 1.00 2.15 H new ATOM 0 HD2 HIS A 42 -1.819 11.335 -6.015 1.00 73.32 H new ATOM 0 HE1 HIS A 42 -4.582 14.536 -5.777 1.00 24.02 H new ATOM 0 HE2 HIS A 42 -2.840 13.396 -7.249 1.00 22.35 H new ATOM 619 N ARG A 43 0.062 10.324 -4.599 1.00 25.03 N ATOM 620 CA ARG A 43 1.410 10.839 -4.529 1.00 72.40 C ATOM 621 C ARG A 43 1.450 12.323 -4.827 1.00 55.21 C ATOM 622 O ARG A 43 0.771 12.813 -5.735 1.00 61.12 O ATOM 623 CB ARG A 43 2.430 10.061 -5.393 1.00 25.10 C ATOM 624 CG ARG A 43 2.303 10.210 -6.901 1.00 45.41 C ATOM 625 CD ARG A 43 3.417 9.428 -7.592 1.00 53.04 C ATOM 626 NE ARG A 43 3.468 9.660 -9.039 1.00 71.24 N ATOM 627 CZ ARG A 43 3.933 8.780 -9.948 1.00 20.30 C ATOM 628 NH1 ARG A 43 4.264 7.533 -9.591 1.00 10.11 N ATOM 629 NH2 ARG A 43 4.060 9.148 -11.207 1.00 62.12 N ATOM 0 H ARG A 43 -0.232 9.979 -5.513 1.00 25.03 H new ATOM 0 HA ARG A 43 1.727 10.684 -3.498 1.00 72.40 H new ATOM 0 HB2 ARG A 43 3.432 10.377 -5.103 1.00 25.10 H new ATOM 0 HB3 ARG A 43 2.346 9.002 -5.148 1.00 25.10 H new ATOM 0 HG2 ARG A 43 1.331 9.845 -7.231 1.00 45.41 H new ATOM 0 HG3 ARG A 43 2.359 11.263 -7.178 1.00 45.41 H new ATOM 0 HD2 ARG A 43 4.375 9.705 -7.151 1.00 53.04 H new ATOM 0 HD3 ARG A 43 3.276 8.363 -7.405 1.00 53.04 H new ATOM 0 HE ARG A 43 3.125 10.556 -9.384 1.00 71.24 H new ATOM 0 HH11 ARG A 43 4.166 7.237 -8.620 1.00 10.11 H new ATOM 0 HH12 ARG A 43 4.614 6.878 -10.290 1.00 10.11 H new ATOM 0 HH21 ARG A 43 3.807 10.095 -11.490 1.00 62.12 H new ATOM 0 HH22 ARG A 43 4.411 8.486 -11.899 1.00 62.12 H new ATOM 643 N TYR A 44 2.212 13.019 -4.040 1.00 44.05 N ATOM 644 CA TYR A 44 2.402 14.441 -4.173 1.00 34.21 C ATOM 645 C TYR A 44 3.763 14.716 -4.757 1.00 34.51 C ATOM 646 O TYR A 44 4.497 13.788 -5.095 1.00 23.41 O ATOM 647 CB TYR A 44 2.254 15.133 -2.804 1.00 64.50 C ATOM 648 CG TYR A 44 0.866 15.009 -2.232 1.00 73.23 C ATOM 649 CD1 TYR A 44 0.466 13.859 -1.577 1.00 4.10 C ATOM 650 CD2 TYR A 44 -0.049 16.037 -2.367 1.00 62.03 C ATOM 651 CE1 TYR A 44 -0.804 13.739 -1.079 1.00 62.21 C ATOM 652 CE2 TYR A 44 -1.325 15.924 -1.864 1.00 44.42 C ATOM 653 CZ TYR A 44 -1.696 14.769 -1.221 1.00 72.53 C ATOM 654 OH TYR A 44 -2.972 14.640 -0.727 1.00 75.12 O ATOM 0 H TYR A 44 2.735 12.608 -3.266 1.00 44.05 H new ATOM 0 HA TYR A 44 1.640 14.842 -4.842 1.00 34.21 H new ATOM 0 HB2 TYR A 44 2.970 14.701 -2.105 1.00 64.50 H new ATOM 0 HB3 TYR A 44 2.506 16.188 -2.907 1.00 64.50 H new ATOM 0 HD1 TYR A 44 1.165 13.044 -1.456 1.00 4.10 H new ATOM 0 HD2 TYR A 44 0.243 16.944 -2.876 1.00 62.03 H new ATOM 0 HE1 TYR A 44 -1.102 12.832 -0.574 1.00 62.21 H new ATOM 0 HE2 TYR A 44 -2.028 16.736 -1.974 1.00 44.42 H new ATOM 0 HH TYR A 44 -3.105 13.726 -0.399 1.00 75.12 H new ATOM 664 N LYS A 45 4.089 15.972 -4.887 1.00 23.22 N ATOM 665 CA LYS A 45 5.366 16.380 -5.399 1.00 13.11 C ATOM 666 C LYS A 45 5.948 17.554 -4.624 1.00 75.10 C ATOM 667 O LYS A 45 5.661 18.719 -4.872 1.00 51.22 O ATOM 668 CB LYS A 45 5.383 16.543 -6.960 1.00 33.22 C ATOM 669 CG LYS A 45 4.167 17.253 -7.607 1.00 33.43 C ATOM 670 CD LYS A 45 3.995 18.689 -7.160 1.00 3.13 C ATOM 671 CE LYS A 45 2.790 19.318 -7.782 1.00 43.13 C ATOM 672 NZ LYS A 45 2.561 20.676 -7.283 1.00 54.33 N ATOM 0 H LYS A 45 3.472 16.745 -4.639 1.00 23.22 H new ATOM 0 HA LYS A 45 6.058 15.557 -5.220 1.00 13.11 H new ATOM 0 HB2 LYS A 45 6.282 17.095 -7.233 1.00 33.22 H new ATOM 0 HB3 LYS A 45 5.471 15.551 -7.403 1.00 33.22 H new ATOM 0 HG2 LYS A 45 4.278 17.230 -8.691 1.00 33.43 H new ATOM 0 HG3 LYS A 45 3.262 16.696 -7.367 1.00 33.43 H new ATOM 0 HD2 LYS A 45 3.905 18.724 -6.074 1.00 3.13 H new ATOM 0 HD3 LYS A 45 4.883 19.262 -7.425 1.00 3.13 H new ATOM 0 HE2 LYS A 45 2.913 19.346 -8.865 1.00 43.13 H new ATOM 0 HE3 LYS A 45 1.913 18.704 -7.577 1.00 43.13 H new ATOM 0 HZ1 LYS A 45 1.716 21.076 -7.739 1.00 54.33 H new ATOM 0 HZ2 LYS A 45 2.418 20.648 -6.253 1.00 54.33 H new ATOM 0 HZ3 LYS A 45 3.386 21.270 -7.501 1.00 54.33 H new ATOM 686 N LEU A 46 6.716 17.240 -3.640 1.00 61.24 N ATOM 687 CA LEU A 46 7.325 18.268 -2.857 1.00 5.43 C ATOM 688 C LEU A 46 8.675 18.593 -3.405 1.00 53.50 C ATOM 689 O LEU A 46 9.513 17.707 -3.593 1.00 32.11 O ATOM 690 CB LEU A 46 7.438 17.906 -1.367 1.00 14.21 C ATOM 691 CG LEU A 46 6.145 17.706 -0.559 1.00 51.44 C ATOM 692 CD1 LEU A 46 5.266 18.934 -0.600 1.00 31.02 C ATOM 693 CD2 LEU A 46 5.383 16.464 -0.976 1.00 11.31 C ATOM 0 H LEU A 46 6.939 16.286 -3.356 1.00 61.24 H new ATOM 0 HA LEU A 46 6.673 19.139 -2.921 1.00 5.43 H new ATOM 0 HB2 LEU A 46 8.020 16.988 -1.293 1.00 14.21 H new ATOM 0 HB3 LEU A 46 8.016 18.691 -0.878 1.00 14.21 H new ATOM 0 HG LEU A 46 6.450 17.552 0.476 1.00 51.44 H new ATOM 0 HD11 LEU A 46 4.362 18.754 -0.018 1.00 31.02 H new ATOM 0 HD12 LEU A 46 5.806 19.782 -0.179 1.00 31.02 H new ATOM 0 HD13 LEU A 46 4.995 19.153 -1.633 1.00 31.02 H new ATOM 0 HD21 LEU A 46 4.479 16.372 -0.373 1.00 11.31 H new ATOM 0 HD22 LEU A 46 5.111 16.540 -2.029 1.00 11.31 H new ATOM 0 HD23 LEU A 46 6.010 15.585 -0.826 1.00 11.31 H new ATOM 705 N LYS A 47 8.879 19.839 -3.684 1.00 75.44 N ATOM 706 CA LYS A 47 10.147 20.311 -4.166 1.00 13.01 C ATOM 707 C LYS A 47 10.945 20.939 -3.037 1.00 74.24 C ATOM 708 O LYS A 47 12.108 21.265 -3.185 1.00 70.43 O ATOM 709 CB LYS A 47 9.974 21.235 -5.399 1.00 74.35 C ATOM 710 CG LYS A 47 8.958 22.363 -5.238 1.00 24.13 C ATOM 711 CD LYS A 47 9.381 23.439 -4.243 1.00 14.40 C ATOM 712 CE LYS A 47 10.596 24.227 -4.720 1.00 21.12 C ATOM 713 NZ LYS A 47 10.952 25.288 -3.759 1.00 44.24 N ATOM 0 H LYS A 47 8.171 20.566 -3.585 1.00 75.44 H new ATOM 0 HA LYS A 47 10.732 19.462 -4.520 1.00 13.01 H new ATOM 0 HB2 LYS A 47 10.942 21.673 -5.641 1.00 74.35 H new ATOM 0 HB3 LYS A 47 9.679 20.623 -6.251 1.00 74.35 H new ATOM 0 HG2 LYS A 47 8.788 22.827 -6.210 1.00 24.13 H new ATOM 0 HG3 LYS A 47 8.007 21.939 -4.917 1.00 24.13 H new ATOM 0 HD2 LYS A 47 8.549 24.124 -4.077 1.00 14.40 H new ATOM 0 HD3 LYS A 47 9.607 22.974 -3.283 1.00 14.40 H new ATOM 0 HE2 LYS A 47 11.442 23.552 -4.851 1.00 21.12 H new ATOM 0 HE3 LYS A 47 10.387 24.670 -5.694 1.00 21.12 H new ATOM 0 HZ1 LYS A 47 11.782 25.809 -4.108 1.00 44.24 H new ATOM 0 HZ2 LYS A 47 10.151 25.943 -3.653 1.00 44.24 H new ATOM 0 HZ3 LYS A 47 11.174 24.861 -2.837 1.00 44.24 H new ATOM 727 N GLY A 48 10.289 21.108 -1.907 1.00 71.35 N ATOM 728 CA GLY A 48 10.952 21.625 -0.738 1.00 23.15 C ATOM 729 C GLY A 48 11.372 20.512 0.187 1.00 45.20 C ATOM 730 O GLY A 48 12.175 20.711 1.091 1.00 61.11 O ATOM 0 H GLY A 48 9.300 20.894 -1.778 1.00 71.35 H new ATOM 0 HA2 GLY A 48 11.827 22.202 -1.038 1.00 23.15 H new ATOM 0 HA3 GLY A 48 10.286 22.308 -0.211 1.00 23.15 H new ATOM 734 N LEU A 49 10.819 19.338 -0.048 1.00 40.32 N ATOM 735 CA LEU A 49 11.118 18.164 0.739 1.00 20.22 C ATOM 736 C LEU A 49 11.751 17.071 -0.178 1.00 54.14 C ATOM 737 O LEU A 49 11.633 17.162 -1.410 1.00 12.33 O ATOM 738 CB LEU A 49 9.822 17.703 1.434 1.00 45.10 C ATOM 739 CG LEU A 49 9.217 18.705 2.440 1.00 55.41 C ATOM 740 CD1 LEU A 49 7.865 18.233 2.944 1.00 73.01 C ATOM 741 CD2 LEU A 49 10.164 18.929 3.612 1.00 51.24 C ATOM 0 H LEU A 49 10.145 19.174 -0.796 1.00 40.32 H new ATOM 0 HA LEU A 49 11.851 18.377 1.517 1.00 20.22 H new ATOM 0 HB2 LEU A 49 9.076 17.488 0.669 1.00 45.10 H new ATOM 0 HB3 LEU A 49 10.023 16.767 1.956 1.00 45.10 H new ATOM 0 HG LEU A 49 9.074 19.651 1.917 1.00 55.41 H new ATOM 0 HD11 LEU A 49 7.466 18.961 3.651 1.00 73.01 H new ATOM 0 HD12 LEU A 49 7.179 18.130 2.103 1.00 73.01 H new ATOM 0 HD13 LEU A 49 7.978 17.269 3.441 1.00 73.01 H new ATOM 0 HD21 LEU A 49 9.718 19.639 4.309 1.00 51.24 H new ATOM 0 HD22 LEU A 49 10.342 17.982 4.122 1.00 51.24 H new ATOM 0 HD23 LEU A 49 11.110 19.327 3.245 1.00 51.24 H new ATOM 753 N PRO A 50 12.415 16.025 0.394 1.00 64.01 N ATOM 754 CA PRO A 50 13.169 15.030 -0.385 1.00 51.52 C ATOM 755 C PRO A 50 12.301 13.940 -1.053 1.00 31.43 C ATOM 756 O PRO A 50 11.860 12.987 -0.400 1.00 52.42 O ATOM 757 CB PRO A 50 14.138 14.407 0.640 1.00 5.24 C ATOM 758 CG PRO A 50 13.820 15.064 1.963 1.00 42.30 C ATOM 759 CD PRO A 50 12.473 15.718 1.818 1.00 32.53 C ATOM 0 HA PRO A 50 13.663 15.510 -1.230 1.00 51.52 H new ATOM 0 HB2 PRO A 50 14.004 13.327 0.698 1.00 5.24 H new ATOM 0 HB3 PRO A 50 15.175 14.584 0.355 1.00 5.24 H new ATOM 0 HG2 PRO A 50 13.806 14.327 2.766 1.00 42.30 H new ATOM 0 HG3 PRO A 50 14.581 15.801 2.220 1.00 42.30 H new ATOM 0 HD2 PRO A 50 11.665 15.052 2.121 1.00 32.53 H new ATOM 0 HD3 PRO A 50 12.392 16.617 2.429 1.00 32.53 H new ATOM 767 N TYR A 51 12.042 14.139 -2.358 1.00 23.41 N ATOM 768 CA TYR A 51 11.248 13.227 -3.265 1.00 43.11 C ATOM 769 C TYR A 51 9.892 12.634 -2.672 1.00 14.32 C ATOM 770 O TYR A 51 9.522 11.502 -3.001 1.00 73.35 O ATOM 771 CB TYR A 51 12.148 12.099 -3.874 1.00 1.42 C ATOM 772 CG TYR A 51 12.748 11.087 -2.898 1.00 62.22 C ATOM 773 CD1 TYR A 51 13.977 11.309 -2.283 1.00 75.04 C ATOM 774 CD2 TYR A 51 12.083 9.901 -2.608 1.00 43.25 C ATOM 775 CE1 TYR A 51 14.513 10.381 -1.411 1.00 50.11 C ATOM 776 CE2 TYR A 51 12.611 8.974 -1.742 1.00 11.01 C ATOM 777 CZ TYR A 51 13.823 9.215 -1.147 1.00 73.15 C ATOM 778 OH TYR A 51 14.346 8.287 -0.279 1.00 74.25 O ATOM 0 H TYR A 51 12.384 14.965 -2.849 1.00 23.41 H new ATOM 0 HA TYR A 51 10.908 13.892 -4.059 1.00 43.11 H new ATOM 0 HB2 TYR A 51 11.556 11.552 -4.607 1.00 1.42 H new ATOM 0 HB3 TYR A 51 12.966 12.574 -4.415 1.00 1.42 H new ATOM 0 HD1 TYR A 51 14.519 12.220 -2.490 1.00 75.04 H new ATOM 0 HD2 TYR A 51 11.129 9.704 -3.074 1.00 43.25 H new ATOM 0 HE1 TYR A 51 15.466 10.567 -0.939 1.00 50.11 H new ATOM 0 HE2 TYR A 51 12.075 8.061 -1.531 1.00 11.01 H new ATOM 0 HH TYR A 51 14.614 7.487 -0.778 1.00 74.25 H new ATOM 788 N PRO A 52 9.103 13.404 -1.880 1.00 74.02 N ATOM 789 CA PRO A 52 7.873 12.924 -1.265 1.00 45.53 C ATOM 790 C PRO A 52 6.633 13.328 -2.079 1.00 52.21 C ATOM 791 O PRO A 52 6.733 14.189 -2.976 1.00 13.25 O ATOM 792 CB PRO A 52 7.873 13.693 0.074 1.00 43.12 C ATOM 793 CG PRO A 52 8.923 14.745 -0.062 1.00 51.31 C ATOM 794 CD PRO A 52 9.294 14.782 -1.516 1.00 5.34 C ATOM 0 HA PRO A 52 7.835 11.838 -1.181 1.00 45.53 H new ATOM 0 HB2 PRO A 52 6.897 14.137 0.270 1.00 43.12 H new ATOM 0 HB3 PRO A 52 8.093 13.026 0.908 1.00 43.12 H new ATOM 0 HG2 PRO A 52 8.548 15.714 0.269 1.00 51.31 H new ATOM 0 HG3 PRO A 52 9.790 14.511 0.555 1.00 51.31 H new ATOM 0 HD2 PRO A 52 8.654 15.453 -2.089 1.00 5.34 H new ATOM 0 HD3 PRO A 52 10.321 15.112 -1.672 1.00 5.34 H new ATOM 802 N CYS A 53 5.458 12.753 -1.798 1.00 64.45 N ATOM 803 CA CYS A 53 5.193 11.673 -0.825 1.00 54.51 C ATOM 804 C CYS A 53 3.917 10.963 -1.271 1.00 71.23 C ATOM 805 O CYS A 53 3.435 11.216 -2.364 1.00 53.21 O ATOM 806 CB CYS A 53 4.929 12.284 0.545 1.00 15.42 C ATOM 807 SG CYS A 53 3.625 13.531 0.521 1.00 11.33 S ATOM 0 H CYS A 53 4.605 13.046 -2.274 1.00 64.45 H new ATOM 0 HA CYS A 53 6.042 10.991 -0.773 1.00 54.51 H new ATOM 0 HB2 CYS A 53 4.655 11.493 1.243 1.00 15.42 H new ATOM 0 HB3 CYS A 53 5.848 12.735 0.919 1.00 15.42 H new ATOM 0 HG CYS A 53 3.692 14.249 1.602 1.00 11.33 H new ATOM 813 N ILE A 54 3.370 10.093 -0.428 1.00 41.14 N ATOM 814 CA ILE A 54 2.026 9.575 -0.640 1.00 74.33 C ATOM 815 C ILE A 54 1.189 9.802 0.586 1.00 70.52 C ATOM 816 O ILE A 54 1.566 9.399 1.681 1.00 43.23 O ATOM 817 CB ILE A 54 1.910 8.089 -1.052 1.00 13.12 C ATOM 818 CG1 ILE A 54 2.601 7.124 -0.067 1.00 2.15 C ATOM 819 CG2 ILE A 54 2.359 7.885 -2.472 1.00 30.41 C ATOM 820 CD1 ILE A 54 2.287 5.657 -0.333 1.00 3.30 C ATOM 0 H ILE A 54 3.836 9.734 0.405 1.00 41.14 H new ATOM 0 HA ILE A 54 1.666 10.137 -1.502 1.00 74.33 H new ATOM 0 HB ILE A 54 0.852 7.832 -1.001 1.00 13.12 H new ATOM 0 HG12 ILE A 54 3.679 7.272 -0.122 1.00 2.15 H new ATOM 0 HG13 ILE A 54 2.296 7.374 0.949 1.00 2.15 H new ATOM 0 HG21 ILE A 54 2.267 6.831 -2.735 1.00 30.41 H new ATOM 0 HG22 ILE A 54 1.737 8.481 -3.140 1.00 30.41 H new ATOM 0 HG23 ILE A 54 3.399 8.194 -2.573 1.00 30.41 H new ATOM 0 HD11 ILE A 54 2.806 5.036 0.397 1.00 3.30 H new ATOM 0 HD12 ILE A 54 1.212 5.494 -0.250 1.00 3.30 H new ATOM 0 HD13 ILE A 54 2.618 5.390 -1.337 1.00 3.30 H new ATOM 832 N VAL A 55 0.082 10.482 0.412 1.00 50.40 N ATOM 833 CA VAL A 55 -0.840 10.761 1.501 1.00 61.55 C ATOM 834 C VAL A 55 -2.257 10.765 0.955 1.00 42.50 C ATOM 835 O VAL A 55 -2.556 11.561 0.074 1.00 61.52 O ATOM 836 CB VAL A 55 -0.582 12.163 2.144 1.00 44.34 C ATOM 837 CG1 VAL A 55 -1.530 12.394 3.294 1.00 30.00 C ATOM 838 CG2 VAL A 55 0.862 12.332 2.598 1.00 15.31 C ATOM 0 H VAL A 55 -0.211 10.861 -0.488 1.00 50.40 H new ATOM 0 HA VAL A 55 -0.694 9.992 2.259 1.00 61.55 H new ATOM 0 HB VAL A 55 -0.765 12.913 1.374 1.00 44.34 H new ATOM 0 HG11 VAL A 55 -1.339 13.374 3.732 1.00 30.00 H new ATOM 0 HG12 VAL A 55 -2.557 12.352 2.933 1.00 30.00 H new ATOM 0 HG13 VAL A 55 -1.380 11.623 4.050 1.00 30.00 H new ATOM 0 HG21 VAL A 55 0.992 13.321 3.038 1.00 15.31 H new ATOM 0 HG22 VAL A 55 1.101 11.571 3.340 1.00 15.31 H new ATOM 0 HG23 VAL A 55 1.528 12.226 1.741 1.00 15.31 H new ATOM 848 N SER A 56 -3.103 9.856 1.446 1.00 5.24 N ATOM 849 CA SER A 56 -4.516 9.813 1.077 1.00 22.11 C ATOM 850 C SER A 56 -5.182 8.595 1.691 1.00 24.52 C ATOM 851 O SER A 56 -4.506 7.673 2.175 1.00 71.32 O ATOM 852 CB SER A 56 -4.713 9.780 -0.459 1.00 23.45 C ATOM 853 OG SER A 56 -6.077 9.866 -0.824 1.00 45.13 O ATOM 0 H SER A 56 -2.827 9.132 2.109 1.00 5.24 H new ATOM 0 HA SER A 56 -4.976 10.724 1.461 1.00 22.11 H new ATOM 0 HB2 SER A 56 -4.165 10.606 -0.912 1.00 23.45 H new ATOM 0 HB3 SER A 56 -4.289 8.859 -0.858 1.00 23.45 H new ATOM 0 HG SER A 56 -6.156 9.844 -1.801 1.00 45.13 H new ATOM 859 N SER A 57 -6.484 8.619 1.698 1.00 74.30 N ATOM 860 CA SER A 57 -7.308 7.514 2.092 1.00 23.42 C ATOM 861 C SER A 57 -8.455 7.424 1.087 1.00 65.43 C ATOM 862 O SER A 57 -9.404 6.633 1.236 1.00 44.03 O ATOM 863 CB SER A 57 -7.848 7.776 3.490 1.00 53.12 C ATOM 864 OG SER A 57 -8.526 9.022 3.528 1.00 33.51 O ATOM 0 H SER A 57 -7.020 9.440 1.419 1.00 74.30 H new ATOM 0 HA SER A 57 -6.747 6.580 2.107 1.00 23.42 H new ATOM 0 HB2 SER A 57 -8.527 6.975 3.781 1.00 53.12 H new ATOM 0 HB3 SER A 57 -7.029 7.777 4.210 1.00 53.12 H new ATOM 0 HG SER A 57 -8.871 9.179 4.432 1.00 33.51 H new ATOM 870 N ASP A 58 -8.330 8.239 0.042 1.00 60.43 N ATOM 871 CA ASP A 58 -9.355 8.411 -0.965 1.00 73.34 C ATOM 872 C ASP A 58 -9.253 7.278 -2.015 1.00 54.25 C ATOM 873 O ASP A 58 -8.550 6.286 -1.804 1.00 33.32 O ATOM 874 CB ASP A 58 -9.183 9.813 -1.608 1.00 52.23 C ATOM 875 CG ASP A 58 -10.363 10.272 -2.435 1.00 24.31 C ATOM 876 OD1 ASP A 58 -10.403 9.995 -3.648 1.00 3.01 O ATOM 877 OD2 ASP A 58 -11.263 10.920 -1.879 1.00 42.50 O ATOM 0 H ASP A 58 -7.497 8.804 -0.125 1.00 60.43 H new ATOM 0 HA ASP A 58 -10.348 8.352 -0.520 1.00 73.34 H new ATOM 0 HB2 ASP A 58 -9.004 10.542 -0.818 1.00 52.23 H new ATOM 0 HB3 ASP A 58 -8.295 9.803 -2.240 1.00 52.23 H new ATOM 882 N SER A 59 -9.928 7.430 -3.122 1.00 31.33 N ATOM 883 CA SER A 59 -9.973 6.429 -4.150 1.00 43.11 C ATOM 884 C SER A 59 -8.908 6.672 -5.222 1.00 1.52 C ATOM 885 O SER A 59 -8.952 6.083 -6.310 1.00 43.03 O ATOM 886 CB SER A 59 -11.367 6.369 -4.739 1.00 3.24 C ATOM 887 OG SER A 59 -12.306 6.014 -3.719 1.00 3.41 O ATOM 0 H SER A 59 -10.470 8.267 -3.337 1.00 31.33 H new ATOM 0 HA SER A 59 -9.744 5.460 -3.707 1.00 43.11 H new ATOM 0 HB2 SER A 59 -11.632 7.334 -5.171 1.00 3.24 H new ATOM 0 HB3 SER A 59 -11.400 5.638 -5.547 1.00 3.24 H new ATOM 0 HG SER A 59 -13.207 5.978 -4.102 1.00 3.41 H new ATOM 893 N GLY A 60 -7.957 7.525 -4.911 1.00 61.11 N ATOM 894 CA GLY A 60 -6.846 7.738 -5.799 1.00 64.43 C ATOM 895 C GLY A 60 -5.890 6.570 -5.703 1.00 12.31 C ATOM 896 O GLY A 60 -6.027 5.737 -4.807 1.00 43.31 O ATOM 0 H GLY A 60 -7.934 8.077 -4.054 1.00 61.11 H new ATOM 0 HA2 GLY A 60 -7.202 7.847 -6.824 1.00 64.43 H new ATOM 0 HA3 GLY A 60 -6.332 8.664 -5.540 1.00 64.43 H new ATOM 900 N LYS A 61 -4.954 6.477 -6.596 1.00 2.54 N ATOM 901 CA LYS A 61 -4.009 5.387 -6.560 1.00 43.01 C ATOM 902 C LYS A 61 -2.647 5.830 -7.048 1.00 4.42 C ATOM 903 O LYS A 61 -2.531 6.763 -7.845 1.00 4.11 O ATOM 904 CB LYS A 61 -4.498 4.177 -7.370 1.00 1.44 C ATOM 905 CG LYS A 61 -4.847 4.492 -8.800 1.00 31.52 C ATOM 906 CD LYS A 61 -5.030 3.236 -9.632 1.00 72.14 C ATOM 907 CE LYS A 61 -6.173 2.328 -9.176 1.00 60.13 C ATOM 908 NZ LYS A 61 -7.500 2.971 -9.311 1.00 51.30 N ATOM 0 H LYS A 61 -4.818 7.138 -7.361 1.00 2.54 H new ATOM 0 HA LYS A 61 -3.922 5.077 -5.519 1.00 43.01 H new ATOM 0 HB2 LYS A 61 -3.725 3.409 -7.357 1.00 1.44 H new ATOM 0 HB3 LYS A 61 -5.375 3.755 -6.878 1.00 1.44 H new ATOM 0 HG2 LYS A 61 -5.763 5.082 -8.828 1.00 31.52 H new ATOM 0 HG3 LYS A 61 -4.060 5.105 -9.238 1.00 31.52 H new ATOM 0 HD2 LYS A 61 -5.205 3.525 -10.668 1.00 72.14 H new ATOM 0 HD3 LYS A 61 -4.101 2.666 -9.613 1.00 72.14 H new ATOM 0 HE2 LYS A 61 -6.158 1.409 -9.762 1.00 60.13 H new ATOM 0 HE3 LYS A 61 -6.015 2.046 -8.135 1.00 60.13 H new ATOM 0 HZ1 LYS A 61 -8.239 2.314 -8.989 1.00 51.30 H new ATOM 0 HZ2 LYS A 61 -7.528 3.834 -8.732 1.00 51.30 H new ATOM 0 HZ3 LYS A 61 -7.667 3.217 -10.308 1.00 51.30 H new ATOM 922 N VAL A 62 -1.630 5.179 -6.563 1.00 15.51 N ATOM 923 CA VAL A 62 -0.268 5.468 -6.942 1.00 2.44 C ATOM 924 C VAL A 62 0.318 4.273 -7.660 1.00 24.14 C ATOM 925 O VAL A 62 0.166 3.154 -7.207 1.00 24.13 O ATOM 926 CB VAL A 62 0.602 5.746 -5.694 1.00 12.12 C ATOM 927 CG1 VAL A 62 2.031 6.104 -6.081 1.00 32.54 C ATOM 928 CG2 VAL A 62 -0.009 6.830 -4.850 1.00 55.12 C ATOM 0 H VAL A 62 -1.719 4.422 -5.885 1.00 15.51 H new ATOM 0 HA VAL A 62 -0.275 6.347 -7.587 1.00 2.44 H new ATOM 0 HB VAL A 62 0.638 4.830 -5.104 1.00 12.12 H new ATOM 0 HG11 VAL A 62 2.615 6.293 -5.180 1.00 32.54 H new ATOM 0 HG12 VAL A 62 2.476 5.277 -6.635 1.00 32.54 H new ATOM 0 HG13 VAL A 62 2.026 6.998 -6.705 1.00 32.54 H new ATOM 0 HG21 VAL A 62 0.619 7.009 -3.977 1.00 55.12 H new ATOM 0 HG22 VAL A 62 -0.087 7.746 -5.435 1.00 55.12 H new ATOM 0 HG23 VAL A 62 -1.002 6.521 -4.525 1.00 55.12 H new ATOM 938 N ASN A 63 0.966 4.498 -8.764 1.00 62.00 N ATOM 939 CA ASN A 63 1.631 3.412 -9.444 1.00 42.22 C ATOM 940 C ASN A 63 3.112 3.467 -9.098 1.00 15.11 C ATOM 941 O ASN A 63 3.699 4.558 -9.012 1.00 62.13 O ATOM 942 CB ASN A 63 1.422 3.456 -10.981 1.00 15.22 C ATOM 943 CG ASN A 63 2.046 4.670 -11.662 1.00 20.05 C ATOM 944 OD1 ASN A 63 3.206 4.638 -12.068 1.00 50.44 O ATOM 945 ND2 ASN A 63 1.281 5.732 -11.818 1.00 54.33 N ATOM 0 H ASN A 63 1.052 5.410 -9.214 1.00 62.00 H new ATOM 0 HA ASN A 63 1.196 2.471 -9.107 1.00 42.22 H new ATOM 0 HB2 ASN A 63 1.843 2.551 -11.420 1.00 15.22 H new ATOM 0 HB3 ASN A 63 0.353 3.445 -11.192 1.00 15.22 H new ATOM 0 HD21 ASN A 63 1.648 6.560 -12.288 1.00 54.33 H new ATOM 0 HD22 ASN A 63 0.322 5.726 -11.469 1.00 54.33 H new ATOM 952 N GLY A 64 3.684 2.327 -8.840 1.00 4.23 N ATOM 953 CA GLY A 64 5.084 2.238 -8.528 1.00 14.41 C ATOM 954 C GLY A 64 5.550 0.813 -8.607 1.00 64.24 C ATOM 955 O GLY A 64 5.029 0.038 -9.405 1.00 32.03 O ATOM 0 H GLY A 64 3.195 1.432 -8.839 1.00 4.23 H new ATOM 0 HA2 GLY A 64 5.657 2.853 -9.222 1.00 14.41 H new ATOM 0 HA3 GLY A 64 5.266 2.631 -7.528 1.00 14.41 H new ATOM 959 N LYS A 65 6.503 0.453 -7.789 1.00 34.03 N ATOM 960 CA LYS A 65 7.030 -0.899 -7.759 1.00 55.23 C ATOM 961 C LYS A 65 7.156 -1.416 -6.362 1.00 52.42 C ATOM 962 O LYS A 65 7.477 -0.667 -5.433 1.00 23.13 O ATOM 963 CB LYS A 65 8.374 -1.020 -8.492 1.00 52.51 C ATOM 964 CG LYS A 65 8.263 -1.221 -9.992 1.00 60.11 C ATOM 965 CD LYS A 65 9.627 -1.264 -10.669 1.00 33.21 C ATOM 966 CE LYS A 65 10.232 0.107 -10.790 1.00 43.22 C ATOM 967 NZ LYS A 65 11.538 0.082 -11.490 1.00 14.21 N ATOM 0 H LYS A 65 6.942 1.086 -7.120 1.00 34.03 H new ATOM 0 HA LYS A 65 6.305 -1.516 -8.290 1.00 55.23 H new ATOM 0 HB2 LYS A 65 8.958 -0.120 -8.302 1.00 52.51 H new ATOM 0 HB3 LYS A 65 8.930 -1.856 -8.067 1.00 52.51 H new ATOM 0 HG2 LYS A 65 7.730 -2.150 -10.194 1.00 60.11 H new ATOM 0 HG3 LYS A 65 7.671 -0.413 -10.422 1.00 60.11 H new ATOM 0 HD2 LYS A 65 10.296 -1.908 -10.098 1.00 33.21 H new ATOM 0 HD3 LYS A 65 9.527 -1.706 -11.660 1.00 33.21 H new ATOM 0 HE2 LYS A 65 9.545 0.759 -11.329 1.00 43.22 H new ATOM 0 HE3 LYS A 65 10.363 0.534 -9.796 1.00 43.22 H new ATOM 0 HZ1 LYS A 65 11.733 1.020 -11.894 1.00 14.21 H new ATOM 0 HZ2 LYS A 65 12.289 -0.168 -10.815 1.00 14.21 H new ATOM 0 HZ3 LYS A 65 11.510 -0.624 -12.253 1.00 14.21 H new ATOM 981 N VAL A 66 6.879 -2.683 -6.212 1.00 4.21 N ATOM 982 CA VAL A 66 7.022 -3.337 -4.948 1.00 52.42 C ATOM 983 C VAL A 66 8.199 -4.284 -4.960 1.00 32.51 C ATOM 984 O VAL A 66 8.394 -5.037 -5.922 1.00 23.32 O ATOM 985 CB VAL A 66 5.747 -4.098 -4.484 1.00 23.11 C ATOM 986 CG1 VAL A 66 4.622 -3.142 -4.236 1.00 60.23 C ATOM 987 CG2 VAL A 66 5.316 -5.163 -5.482 1.00 13.23 C ATOM 0 H VAL A 66 6.548 -3.287 -6.964 1.00 4.21 H new ATOM 0 HA VAL A 66 7.193 -2.537 -4.228 1.00 52.42 H new ATOM 0 HB VAL A 66 6.001 -4.604 -3.552 1.00 23.11 H new ATOM 0 HG11 VAL A 66 3.740 -3.694 -3.912 1.00 60.23 H new ATOM 0 HG12 VAL A 66 4.911 -2.433 -3.460 1.00 60.23 H new ATOM 0 HG13 VAL A 66 4.395 -2.601 -5.155 1.00 60.23 H new ATOM 0 HG21 VAL A 66 4.422 -5.666 -5.114 1.00 13.23 H new ATOM 0 HG22 VAL A 66 5.099 -4.695 -6.442 1.00 13.23 H new ATOM 0 HG23 VAL A 66 6.118 -5.891 -5.606 1.00 13.23 H new ATOM 997 N ILE A 67 8.996 -4.205 -3.931 1.00 62.43 N ATOM 998 CA ILE A 67 10.113 -5.101 -3.748 1.00 2.13 C ATOM 999 C ILE A 67 9.586 -6.272 -2.957 1.00 22.23 C ATOM 1000 O ILE A 67 9.174 -6.093 -1.819 1.00 44.43 O ATOM 1001 CB ILE A 67 11.233 -4.458 -2.905 1.00 71.30 C ATOM 1002 CG1 ILE A 67 11.548 -3.062 -3.389 1.00 13.11 C ATOM 1003 CG2 ILE A 67 12.482 -5.317 -3.023 1.00 23.35 C ATOM 1004 CD1 ILE A 67 12.477 -2.342 -2.456 1.00 64.35 C ATOM 0 H ILE A 67 8.891 -3.514 -3.188 1.00 62.43 H new ATOM 0 HA ILE A 67 10.522 -5.370 -4.722 1.00 2.13 H new ATOM 0 HB ILE A 67 10.900 -4.395 -1.869 1.00 71.30 H new ATOM 0 HG12 ILE A 67 11.998 -3.115 -4.380 1.00 13.11 H new ATOM 0 HG13 ILE A 67 10.622 -2.495 -3.489 1.00 13.11 H new ATOM 0 HG21 ILE A 67 13.284 -4.876 -2.432 1.00 23.35 H new ATOM 0 HG22 ILE A 67 12.270 -6.321 -2.654 1.00 23.35 H new ATOM 0 HG23 ILE A 67 12.789 -5.372 -4.068 1.00 23.35 H new ATOM 0 HD11 ILE A 67 12.677 -1.342 -2.842 1.00 64.35 H new ATOM 0 HD12 ILE A 67 12.016 -2.265 -1.471 1.00 64.35 H new ATOM 0 HD13 ILE A 67 13.413 -2.895 -2.377 1.00 64.35 H new ATOM 1016 N THR A 68 9.566 -7.434 -3.529 1.00 73.12 N ATOM 1017 CA THR A 68 8.990 -8.561 -2.848 1.00 23.41 C ATOM 1018 C THR A 68 10.059 -9.498 -2.294 1.00 73.12 C ATOM 1019 O THR A 68 11.226 -9.467 -2.727 1.00 74.30 O ATOM 1020 CB THR A 68 8.071 -9.360 -3.793 1.00 21.34 C ATOM 1021 OG1 THR A 68 8.847 -9.899 -4.869 1.00 10.25 O ATOM 1022 CG2 THR A 68 6.969 -8.476 -4.359 1.00 2.42 C ATOM 0 H THR A 68 9.937 -7.632 -4.458 1.00 73.12 H new ATOM 0 HA THR A 68 8.410 -8.161 -2.017 1.00 23.41 H new ATOM 0 HB THR A 68 7.609 -10.167 -3.224 1.00 21.34 H new ATOM 0 HG1 THR A 68 8.530 -9.528 -5.719 1.00 10.25 H new ATOM 0 HG21 THR A 68 6.335 -9.064 -5.022 1.00 2.42 H new ATOM 0 HG22 THR A 68 6.368 -8.077 -3.542 1.00 2.42 H new ATOM 0 HG23 THR A 68 7.414 -7.653 -4.918 1.00 2.42 H new ATOM 1030 N GLY A 69 9.657 -10.333 -1.344 1.00 4.11 N ATOM 1031 CA GLY A 69 10.543 -11.348 -0.803 1.00 53.43 C ATOM 1032 C GLY A 69 11.537 -10.798 0.185 1.00 31.34 C ATOM 1033 O GLY A 69 12.582 -11.404 0.437 1.00 4.33 O ATOM 0 H GLY A 69 8.723 -10.325 -0.934 1.00 4.11 H new ATOM 0 HA2 GLY A 69 9.947 -12.121 -0.318 1.00 53.43 H new ATOM 0 HA3 GLY A 69 11.080 -11.827 -1.622 1.00 53.43 H new ATOM 1037 N VAL A 70 11.221 -9.672 0.764 1.00 23.40 N ATOM 1038 CA VAL A 70 12.120 -9.045 1.687 1.00 3.41 C ATOM 1039 C VAL A 70 11.943 -9.651 3.078 1.00 15.21 C ATOM 1040 O VAL A 70 10.857 -9.621 3.639 1.00 72.04 O ATOM 1041 CB VAL A 70 11.874 -7.514 1.736 1.00 43.23 C ATOM 1042 CG1 VAL A 70 12.873 -6.837 2.639 1.00 33.40 C ATOM 1043 CG2 VAL A 70 11.935 -6.912 0.339 1.00 13.42 C ATOM 0 H VAL A 70 10.346 -9.171 0.611 1.00 23.40 H new ATOM 0 HA VAL A 70 13.142 -9.218 1.349 1.00 3.41 H new ATOM 0 HB VAL A 70 10.876 -7.349 2.142 1.00 43.23 H new ATOM 0 HG11 VAL A 70 12.679 -5.764 2.656 1.00 33.40 H new ATOM 0 HG12 VAL A 70 12.782 -7.239 3.648 1.00 33.40 H new ATOM 0 HG13 VAL A 70 13.881 -7.018 2.266 1.00 33.40 H new ATOM 0 HG21 VAL A 70 11.760 -5.838 0.398 1.00 13.42 H new ATOM 0 HG22 VAL A 70 12.918 -7.096 -0.094 1.00 13.42 H new ATOM 0 HG23 VAL A 70 11.171 -7.371 -0.288 1.00 13.42 H new ATOM 1053 N SER A 71 12.997 -10.196 3.637 1.00 11.43 N ATOM 1054 CA SER A 71 12.908 -10.763 4.962 1.00 51.45 C ATOM 1055 C SER A 71 12.817 -9.625 5.965 1.00 22.45 C ATOM 1056 O SER A 71 13.192 -8.500 5.649 1.00 64.24 O ATOM 1057 CB SER A 71 14.135 -11.627 5.245 1.00 20.10 C ATOM 1058 OG SER A 71 14.329 -12.592 4.220 1.00 23.12 O ATOM 0 H SER A 71 13.917 -10.259 3.201 1.00 11.43 H new ATOM 0 HA SER A 71 12.024 -11.395 5.041 1.00 51.45 H new ATOM 0 HB2 SER A 71 15.019 -10.994 5.325 1.00 20.10 H new ATOM 0 HB3 SER A 71 14.016 -12.130 6.205 1.00 20.10 H new ATOM 0 HG SER A 71 15.122 -13.131 4.424 1.00 23.12 H new ATOM 1064 N ASP A 72 12.309 -9.898 7.142 1.00 71.43 N ATOM 1065 CA ASP A 72 12.158 -8.865 8.182 1.00 4.42 C ATOM 1066 C ASP A 72 13.491 -8.168 8.485 1.00 3.14 C ATOM 1067 O ASP A 72 13.552 -6.944 8.636 1.00 3.32 O ATOM 1068 CB ASP A 72 11.571 -9.465 9.453 1.00 24.43 C ATOM 1069 CG ASP A 72 11.347 -8.433 10.529 1.00 62.40 C ATOM 1070 OD1 ASP A 72 10.261 -7.817 10.546 1.00 1.11 O ATOM 1071 OD2 ASP A 72 12.244 -8.236 11.378 1.00 5.01 O ATOM 0 H ASP A 72 11.987 -10.825 7.421 1.00 71.43 H new ATOM 0 HA ASP A 72 11.469 -8.112 7.799 1.00 4.42 H new ATOM 0 HB2 ASP A 72 10.624 -9.951 9.218 1.00 24.43 H new ATOM 0 HB3 ASP A 72 12.241 -10.238 9.829 1.00 24.43 H new ATOM 1076 N ALA A 73 14.551 -8.946 8.524 1.00 44.40 N ATOM 1077 CA ALA A 73 15.886 -8.420 8.780 1.00 10.31 C ATOM 1078 C ALA A 73 16.369 -7.575 7.609 1.00 74.44 C ATOM 1079 O ALA A 73 16.998 -6.543 7.798 1.00 4.50 O ATOM 1080 CB ALA A 73 16.865 -9.550 9.056 1.00 25.45 C ATOM 0 H ALA A 73 14.519 -9.955 8.381 1.00 44.40 H new ATOM 0 HA ALA A 73 15.834 -7.784 9.664 1.00 10.31 H new ATOM 0 HB1 ALA A 73 17.855 -9.136 9.244 1.00 25.45 H new ATOM 0 HB2 ALA A 73 16.535 -10.112 9.929 1.00 25.45 H new ATOM 0 HB3 ALA A 73 16.908 -10.213 8.192 1.00 25.45 H new ATOM 1086 N GLU A 74 16.040 -8.001 6.405 1.00 61.22 N ATOM 1087 CA GLU A 74 16.453 -7.290 5.204 1.00 53.53 C ATOM 1088 C GLU A 74 15.666 -5.994 5.063 1.00 14.31 C ATOM 1089 O GLU A 74 16.184 -4.984 4.600 1.00 70.54 O ATOM 1090 CB GLU A 74 16.246 -8.154 3.961 1.00 23.11 C ATOM 1091 CG GLU A 74 16.983 -9.481 3.983 1.00 11.04 C ATOM 1092 CD GLU A 74 18.455 -9.326 4.221 1.00 34.11 C ATOM 1093 OE1 GLU A 74 19.152 -8.761 3.368 1.00 51.43 O ATOM 1094 OE2 GLU A 74 18.933 -9.758 5.292 1.00 65.44 O ATOM 0 H GLU A 74 15.486 -8.839 6.229 1.00 61.22 H new ATOM 0 HA GLU A 74 17.514 -7.060 5.296 1.00 53.53 H new ATOM 0 HB2 GLU A 74 15.180 -8.348 3.843 1.00 23.11 H new ATOM 0 HB3 GLU A 74 16.567 -7.590 3.085 1.00 23.11 H new ATOM 0 HG2 GLU A 74 16.559 -10.114 4.762 1.00 11.04 H new ATOM 0 HG3 GLU A 74 16.825 -9.994 3.034 1.00 11.04 H new ATOM 1101 N LEU A 75 14.408 -6.042 5.491 1.00 53.25 N ATOM 1102 CA LEU A 75 13.502 -4.896 5.455 1.00 11.42 C ATOM 1103 C LEU A 75 14.096 -3.776 6.284 1.00 74.20 C ATOM 1104 O LEU A 75 14.019 -2.595 5.921 1.00 21.41 O ATOM 1105 CB LEU A 75 12.095 -5.339 5.973 1.00 15.51 C ATOM 1106 CG LEU A 75 10.901 -4.338 5.911 1.00 42.14 C ATOM 1107 CD1 LEU A 75 11.054 -3.178 6.883 1.00 64.01 C ATOM 1108 CD2 LEU A 75 10.733 -3.810 4.507 1.00 54.25 C ATOM 0 H LEU A 75 13.984 -6.886 5.877 1.00 53.25 H new ATOM 0 HA LEU A 75 13.376 -4.526 4.437 1.00 11.42 H new ATOM 0 HB2 LEU A 75 11.805 -6.227 5.411 1.00 15.51 H new ATOM 0 HB3 LEU A 75 12.211 -5.644 7.013 1.00 15.51 H new ATOM 0 HG LEU A 75 10.011 -4.893 6.207 1.00 42.14 H new ATOM 0 HD11 LEU A 75 10.194 -2.514 6.796 1.00 64.01 H new ATOM 0 HD12 LEU A 75 11.114 -3.562 7.901 1.00 64.01 H new ATOM 0 HD13 LEU A 75 11.964 -2.625 6.650 1.00 64.01 H new ATOM 0 HD21 LEU A 75 9.896 -3.112 4.478 1.00 54.25 H new ATOM 0 HD22 LEU A 75 11.644 -3.296 4.200 1.00 54.25 H new ATOM 0 HD23 LEU A 75 10.537 -4.639 3.827 1.00 54.25 H new ATOM 1120 N ASN A 76 14.729 -4.171 7.363 1.00 23.40 N ATOM 1121 CA ASN A 76 15.368 -3.257 8.270 1.00 44.32 C ATOM 1122 C ASN A 76 16.435 -2.429 7.567 1.00 41.40 C ATOM 1123 O ASN A 76 16.637 -1.293 7.907 1.00 34.13 O ATOM 1124 CB ASN A 76 15.971 -4.019 9.457 1.00 22.23 C ATOM 1125 CG ASN A 76 16.692 -3.123 10.449 1.00 43.44 C ATOM 1126 OD1 ASN A 76 17.909 -2.903 10.345 1.00 15.00 O ATOM 1127 ND2 ASN A 76 15.959 -2.606 11.407 1.00 70.10 N ATOM 0 H ASN A 76 14.814 -5.150 7.636 1.00 23.40 H new ATOM 0 HA ASN A 76 14.609 -2.569 8.643 1.00 44.32 H new ATOM 0 HB2 ASN A 76 15.176 -4.556 9.975 1.00 22.23 H new ATOM 0 HB3 ASN A 76 16.669 -4.767 9.081 1.00 22.23 H new ATOM 0 HD21 ASN A 76 16.387 -1.996 12.104 1.00 70.10 H new ATOM 0 HD22 ASN A 76 14.961 -2.814 11.454 1.00 70.10 H new ATOM 1134 N ASN A 77 17.058 -2.978 6.524 1.00 1.12 N ATOM 1135 CA ASN A 77 18.151 -2.287 5.861 1.00 24.55 C ATOM 1136 C ASN A 77 17.596 -1.060 5.147 1.00 22.43 C ATOM 1137 O ASN A 77 18.219 0.003 5.129 1.00 51.12 O ATOM 1138 CB ASN A 77 18.845 -3.236 4.876 1.00 4.10 C ATOM 1139 CG ASN A 77 20.195 -2.754 4.376 1.00 0.22 C ATOM 1140 OD1 ASN A 77 20.456 -1.566 4.260 1.00 24.43 O ATOM 1141 ND2 ASN A 77 21.063 -3.685 4.077 1.00 23.05 N ATOM 0 H ASN A 77 16.824 -3.888 6.128 1.00 1.12 H new ATOM 0 HA ASN A 77 18.892 -1.964 6.592 1.00 24.55 H new ATOM 0 HB2 ASN A 77 18.976 -4.205 5.357 1.00 4.10 H new ATOM 0 HB3 ASN A 77 18.190 -3.391 4.019 1.00 4.10 H new ATOM 0 HD21 ASN A 77 21.989 -3.428 3.736 1.00 23.05 H new ATOM 0 HD22 ASN A 77 20.814 -4.668 4.185 1.00 23.05 H new ATOM 1148 N PHE A 78 16.375 -1.202 4.622 1.00 11.13 N ATOM 1149 CA PHE A 78 15.697 -0.106 3.933 1.00 65.24 C ATOM 1150 C PHE A 78 15.218 0.896 4.957 1.00 65.34 C ATOM 1151 O PHE A 78 15.263 2.105 4.742 1.00 3.53 O ATOM 1152 CB PHE A 78 14.462 -0.606 3.153 1.00 62.03 C ATOM 1153 CG PHE A 78 14.728 -1.617 2.108 1.00 34.41 C ATOM 1154 CD1 PHE A 78 15.138 -1.236 0.859 1.00 31.14 C ATOM 1155 CD2 PHE A 78 14.567 -2.949 2.375 1.00 14.11 C ATOM 1156 CE1 PHE A 78 15.395 -2.173 -0.105 1.00 50.31 C ATOM 1157 CE2 PHE A 78 14.818 -3.892 1.419 1.00 45.04 C ATOM 1158 CZ PHE A 78 15.242 -3.499 0.171 1.00 51.52 C ATOM 0 H PHE A 78 15.837 -2.068 4.663 1.00 11.13 H new ATOM 0 HA PHE A 78 16.405 0.339 3.234 1.00 65.24 H new ATOM 0 HB2 PHE A 78 13.751 -1.025 3.865 1.00 62.03 H new ATOM 0 HB3 PHE A 78 13.978 0.252 2.687 1.00 62.03 H new ATOM 0 HD1 PHE A 78 15.260 -0.187 0.632 1.00 31.14 H new ATOM 0 HD2 PHE A 78 14.237 -3.259 3.355 1.00 14.11 H new ATOM 0 HE1 PHE A 78 15.720 -1.861 -1.087 1.00 50.31 H new ATOM 0 HE2 PHE A 78 14.684 -4.940 1.642 1.00 45.04 H new ATOM 0 HZ PHE A 78 15.453 -4.238 -0.587 1.00 51.52 H new ATOM 1168 N ASP A 79 14.780 0.357 6.076 1.00 64.43 N ATOM 1169 CA ASP A 79 14.181 1.115 7.170 1.00 54.05 C ATOM 1170 C ASP A 79 15.214 2.031 7.833 1.00 0.44 C ATOM 1171 O ASP A 79 14.891 3.128 8.296 1.00 34.34 O ATOM 1172 CB ASP A 79 13.594 0.116 8.184 1.00 54.05 C ATOM 1173 CG ASP A 79 12.727 0.743 9.243 1.00 2.20 C ATOM 1174 OD1 ASP A 79 11.569 1.109 8.922 1.00 73.03 O ATOM 1175 OD2 ASP A 79 13.147 0.819 10.411 1.00 30.54 O ATOM 0 H ASP A 79 14.829 -0.645 6.261 1.00 64.43 H new ATOM 0 HA ASP A 79 13.389 1.757 6.785 1.00 54.05 H new ATOM 0 HB2 ASP A 79 13.008 -0.628 7.645 1.00 54.05 H new ATOM 0 HB3 ASP A 79 14.413 -0.414 8.669 1.00 54.05 H new ATOM 1180 N VAL A 80 16.447 1.563 7.881 1.00 4.32 N ATOM 1181 CA VAL A 80 17.556 2.331 8.437 1.00 71.13 C ATOM 1182 C VAL A 80 18.014 3.442 7.480 1.00 33.44 C ATOM 1183 O VAL A 80 18.260 4.572 7.899 1.00 65.40 O ATOM 1184 CB VAL A 80 18.791 1.423 8.754 1.00 14.22 C ATOM 1185 CG1 VAL A 80 19.933 2.222 9.371 1.00 41.04 C ATOM 1186 CG2 VAL A 80 18.412 0.275 9.655 1.00 60.11 C ATOM 0 H VAL A 80 16.713 0.640 7.537 1.00 4.32 H new ATOM 0 HA VAL A 80 17.179 2.772 9.360 1.00 71.13 H new ATOM 0 HB VAL A 80 19.137 1.016 7.804 1.00 14.22 H new ATOM 0 HG11 VAL A 80 20.772 1.558 9.577 1.00 41.04 H new ATOM 0 HG12 VAL A 80 20.249 3.001 8.677 1.00 41.04 H new ATOM 0 HG13 VAL A 80 19.596 2.680 10.301 1.00 41.04 H new ATOM 0 HG21 VAL A 80 19.292 -0.336 9.856 1.00 60.11 H new ATOM 0 HG22 VAL A 80 18.019 0.664 10.594 1.00 60.11 H new ATOM 0 HG23 VAL A 80 17.651 -0.334 9.167 1.00 60.11 H new ATOM 1196 N ILE A 81 18.108 3.115 6.197 1.00 61.12 N ATOM 1197 CA ILE A 81 18.731 4.018 5.234 1.00 55.55 C ATOM 1198 C ILE A 81 17.865 5.241 4.840 1.00 4.11 C ATOM 1199 O ILE A 81 18.253 6.380 5.103 1.00 64.21 O ATOM 1200 CB ILE A 81 19.297 3.259 3.977 1.00 5.50 C ATOM 1201 CG1 ILE A 81 20.037 4.218 3.042 1.00 50.31 C ATOM 1202 CG2 ILE A 81 18.207 2.498 3.225 1.00 24.34 C ATOM 1203 CD1 ILE A 81 20.642 3.553 1.824 1.00 51.34 C ATOM 0 H ILE A 81 17.765 2.240 5.801 1.00 61.12 H new ATOM 0 HA ILE A 81 19.581 4.441 5.768 1.00 55.55 H new ATOM 0 HB ILE A 81 20.010 2.521 4.345 1.00 5.50 H new ATOM 0 HG12 ILE A 81 19.345 4.993 2.713 1.00 50.31 H new ATOM 0 HG13 ILE A 81 20.829 4.715 3.602 1.00 50.31 H new ATOM 0 HG21 ILE A 81 18.645 1.990 2.366 1.00 24.34 H new ATOM 0 HG22 ILE A 81 17.753 1.762 3.889 1.00 24.34 H new ATOM 0 HG23 ILE A 81 17.444 3.198 2.883 1.00 24.34 H new ATOM 0 HD11 ILE A 81 21.148 4.302 1.214 1.00 51.34 H new ATOM 0 HD12 ILE A 81 21.361 2.798 2.141 1.00 51.34 H new ATOM 0 HD13 ILE A 81 19.854 3.080 1.238 1.00 51.34 H new ATOM 1215 N GLU A 82 16.705 5.016 4.260 1.00 35.33 N ATOM 1216 CA GLU A 82 15.889 6.115 3.758 1.00 24.04 C ATOM 1217 C GLU A 82 14.582 6.185 4.535 1.00 31.51 C ATOM 1218 O GLU A 82 14.281 5.293 5.328 1.00 54.35 O ATOM 1219 CB GLU A 82 15.588 5.928 2.254 1.00 22.42 C ATOM 1220 CG GLU A 82 16.818 5.821 1.340 1.00 42.24 C ATOM 1221 CD GLU A 82 17.711 7.050 1.360 1.00 14.33 C ATOM 1222 OE1 GLU A 82 17.449 8.007 0.616 1.00 4.41 O ATOM 1223 OE2 GLU A 82 18.703 7.070 2.113 1.00 12.25 O ATOM 0 H GLU A 82 16.302 4.089 4.122 1.00 35.33 H new ATOM 0 HA GLU A 82 16.443 7.044 3.891 1.00 24.04 H new ATOM 0 HB2 GLU A 82 14.987 5.027 2.131 1.00 22.42 H new ATOM 0 HB3 GLU A 82 14.979 6.766 1.917 1.00 22.42 H new ATOM 0 HG2 GLU A 82 17.405 4.953 1.639 1.00 42.24 H new ATOM 0 HG3 GLU A 82 16.484 5.644 0.318 1.00 42.24 H new ATOM 1230 N GLY A 83 13.813 7.231 4.313 1.00 11.21 N ATOM 1231 CA GLY A 83 12.538 7.360 4.975 1.00 62.42 C ATOM 1232 C GLY A 83 12.643 8.039 6.327 1.00 45.21 C ATOM 1233 O GLY A 83 12.184 7.502 7.330 1.00 70.41 O ATOM 0 H GLY A 83 14.049 7.998 3.683 1.00 11.21 H new ATOM 0 HA2 GLY A 83 11.860 7.929 4.339 1.00 62.42 H new ATOM 0 HA3 GLY A 83 12.099 6.371 5.104 1.00 62.42 H new ATOM 1237 N ASN A 84 13.209 9.232 6.347 1.00 65.20 N ATOM 1238 CA ASN A 84 13.448 9.955 7.602 1.00 40.54 C ATOM 1239 C ASN A 84 12.166 10.568 8.154 1.00 13.35 C ATOM 1240 O ASN A 84 11.906 10.498 9.354 1.00 33.34 O ATOM 1241 CB ASN A 84 14.508 11.050 7.421 1.00 20.02 C ATOM 1242 CG ASN A 84 15.850 10.527 6.949 1.00 5.10 C ATOM 1243 OD1 ASN A 84 16.100 10.428 5.746 1.00 72.52 O ATOM 1244 ND2 ASN A 84 16.718 10.202 7.872 1.00 22.00 N ATOM 0 H ASN A 84 13.516 9.729 5.511 1.00 65.20 H new ATOM 0 HA ASN A 84 13.816 9.222 8.320 1.00 40.54 H new ATOM 0 HB2 ASN A 84 14.141 11.783 6.703 1.00 20.02 H new ATOM 0 HB3 ASN A 84 14.644 11.572 8.368 1.00 20.02 H new ATOM 0 HD21 ASN A 84 17.639 9.853 7.606 1.00 22.00 H new ATOM 0 HD22 ASN A 84 16.474 10.298 8.858 1.00 22.00 H new ATOM 1251 N ASP A 85 11.352 11.155 7.282 1.00 63.11 N ATOM 1252 CA ASP A 85 10.080 11.768 7.726 1.00 3.13 C ATOM 1253 C ASP A 85 8.951 10.876 7.233 1.00 21.53 C ATOM 1254 O ASP A 85 7.810 11.293 7.045 1.00 52.14 O ATOM 1255 CB ASP A 85 9.922 13.168 7.135 1.00 52.14 C ATOM 1256 CG ASP A 85 9.082 14.110 7.998 1.00 43.53 C ATOM 1257 OD1 ASP A 85 9.636 14.677 8.966 1.00 2.43 O ATOM 1258 OD2 ASP A 85 7.891 14.347 7.707 1.00 73.01 O ATOM 0 H ASP A 85 11.534 11.225 6.281 1.00 63.11 H new ATOM 0 HA ASP A 85 10.065 11.859 8.812 1.00 3.13 H new ATOM 0 HB2 ASP A 85 10.910 13.605 6.992 1.00 52.14 H new ATOM 0 HB3 ASP A 85 9.463 13.087 6.150 1.00 52.14 H new ATOM 1263 N TYR A 86 9.280 9.629 7.065 1.00 71.21 N ATOM 1264 CA TYR A 86 8.342 8.642 6.628 1.00 41.42 C ATOM 1265 C TYR A 86 8.109 7.631 7.737 1.00 43.13 C ATOM 1266 O TYR A 86 8.965 7.460 8.616 1.00 74.14 O ATOM 1267 CB TYR A 86 8.846 7.888 5.389 1.00 24.13 C ATOM 1268 CG TYR A 86 8.729 8.605 4.049 1.00 64.43 C ATOM 1269 CD1 TYR A 86 7.544 8.550 3.339 1.00 5.45 C ATOM 1270 CD2 TYR A 86 9.795 9.279 3.477 1.00 20.11 C ATOM 1271 CE1 TYR A 86 7.410 9.138 2.108 1.00 60.10 C ATOM 1272 CE2 TYR A 86 9.664 9.882 2.236 1.00 33.13 C ATOM 1273 CZ TYR A 86 8.468 9.802 1.559 1.00 20.31 C ATOM 1274 OH TYR A 86 8.333 10.387 0.331 1.00 11.21 O ATOM 0 H TYR A 86 10.219 9.266 7.230 1.00 71.21 H new ATOM 0 HA TYR A 86 7.418 9.161 6.373 1.00 41.42 H new ATOM 0 HB2 TYR A 86 9.895 7.637 5.548 1.00 24.13 H new ATOM 0 HB3 TYR A 86 8.300 6.947 5.319 1.00 24.13 H new ATOM 0 HD1 TYR A 86 6.700 8.029 3.766 1.00 5.45 H new ATOM 0 HD2 TYR A 86 10.737 9.335 4.003 1.00 20.11 H new ATOM 0 HE1 TYR A 86 6.472 9.076 1.576 1.00 60.10 H new ATOM 0 HE2 TYR A 86 10.498 10.413 1.801 1.00 33.13 H new ATOM 0 HH TYR A 86 9.073 11.012 0.183 1.00 11.21 H new ATOM 1284 N GLU A 87 6.967 6.985 7.708 1.00 73.40 N ATOM 1285 CA GLU A 87 6.643 5.958 8.666 1.00 21.14 C ATOM 1286 C GLU A 87 6.232 4.677 7.950 1.00 63.05 C ATOM 1287 O GLU A 87 5.842 4.707 6.768 1.00 63.32 O ATOM 1288 CB GLU A 87 5.566 6.409 9.665 1.00 63.25 C ATOM 1289 CG GLU A 87 4.221 6.766 9.054 1.00 45.42 C ATOM 1290 CD GLU A 87 3.185 7.175 10.086 1.00 52.20 C ATOM 1291 OE1 GLU A 87 2.792 6.320 10.917 1.00 11.53 O ATOM 1292 OE2 GLU A 87 2.744 8.359 10.085 1.00 4.41 O ATOM 0 H GLU A 87 6.236 7.158 7.018 1.00 73.40 H new ATOM 0 HA GLU A 87 7.542 5.759 9.250 1.00 21.14 H new ATOM 0 HB2 GLU A 87 5.415 5.614 10.395 1.00 63.25 H new ATOM 0 HB3 GLU A 87 5.940 7.275 10.210 1.00 63.25 H new ATOM 0 HG2 GLU A 87 4.357 7.581 8.343 1.00 45.42 H new ATOM 0 HG3 GLU A 87 3.846 5.911 8.492 1.00 45.42 H new ATOM 1299 N ARG A 88 6.335 3.569 8.653 1.00 3.02 N ATOM 1300 CA ARG A 88 6.051 2.261 8.105 1.00 54.44 C ATOM 1301 C ARG A 88 4.577 1.920 8.280 1.00 51.51 C ATOM 1302 O ARG A 88 4.099 1.768 9.406 1.00 63.55 O ATOM 1303 CB ARG A 88 6.881 1.207 8.846 1.00 63.33 C ATOM 1304 CG ARG A 88 6.781 -0.208 8.286 1.00 31.14 C ATOM 1305 CD ARG A 88 7.492 -0.317 6.957 1.00 43.15 C ATOM 1306 NE ARG A 88 8.910 0.033 7.087 1.00 31.01 N ATOM 1307 CZ ARG A 88 9.760 0.176 6.081 1.00 60.04 C ATOM 1308 NH1 ARG A 88 9.382 -0.092 4.826 1.00 31.52 N ATOM 1309 NH2 ARG A 88 10.990 0.576 6.325 1.00 62.35 N ATOM 0 H ARG A 88 6.621 3.552 9.632 1.00 3.02 H new ATOM 0 HA ARG A 88 6.301 2.269 7.044 1.00 54.44 H new ATOM 0 HB2 ARG A 88 7.927 1.514 8.830 1.00 63.33 H new ATOM 0 HB3 ARG A 88 6.569 1.190 9.890 1.00 63.33 H new ATOM 0 HG2 ARG A 88 7.215 -0.914 8.994 1.00 31.14 H new ATOM 0 HG3 ARG A 88 5.733 -0.482 8.165 1.00 31.14 H new ATOM 0 HD2 ARG A 88 7.399 -1.333 6.573 1.00 43.15 H new ATOM 0 HD3 ARG A 88 7.016 0.343 6.231 1.00 43.15 H new ATOM 0 HE ARG A 88 9.272 0.178 8.030 1.00 31.01 H new ATOM 0 HH11 ARG A 88 8.431 -0.410 4.637 1.00 31.52 H new ATOM 0 HH12 ARG A 88 10.044 0.021 4.059 1.00 31.52 H new ATOM 0 HH21 ARG A 88 11.282 0.773 7.282 1.00 62.35 H new ATOM 0 HH22 ARG A 88 11.651 0.689 5.557 1.00 62.35 H new ATOM 1323 N VAL A 89 3.869 1.819 7.195 1.00 65.22 N ATOM 1324 CA VAL A 89 2.482 1.398 7.231 1.00 43.31 C ATOM 1325 C VAL A 89 2.261 0.266 6.256 1.00 25.41 C ATOM 1326 O VAL A 89 2.969 0.165 5.241 1.00 72.30 O ATOM 1327 CB VAL A 89 1.477 2.547 6.929 1.00 35.21 C ATOM 1328 CG1 VAL A 89 1.507 3.608 8.018 1.00 3.13 C ATOM 1329 CG2 VAL A 89 1.757 3.173 5.572 1.00 31.44 C ATOM 0 H VAL A 89 4.225 2.022 6.261 1.00 65.22 H new ATOM 0 HA VAL A 89 2.288 1.068 8.252 1.00 43.31 H new ATOM 0 HB VAL A 89 0.478 2.111 6.908 1.00 35.21 H new ATOM 0 HG11 VAL A 89 0.794 4.397 7.777 1.00 3.13 H new ATOM 0 HG12 VAL A 89 1.240 3.156 8.973 1.00 3.13 H new ATOM 0 HG13 VAL A 89 2.509 4.033 8.085 1.00 3.13 H new ATOM 0 HG21 VAL A 89 1.041 3.973 5.386 1.00 31.44 H new ATOM 0 HG22 VAL A 89 2.768 3.581 5.561 1.00 31.44 H new ATOM 0 HG23 VAL A 89 1.664 2.414 4.795 1.00 31.44 H new ATOM 1339 N THR A 90 1.327 -0.589 6.556 1.00 41.13 N ATOM 1340 CA THR A 90 1.008 -1.680 5.682 1.00 13.35 C ATOM 1341 C THR A 90 -0.163 -1.272 4.780 1.00 32.03 C ATOM 1342 O THR A 90 -1.234 -0.891 5.258 1.00 71.41 O ATOM 1343 CB THR A 90 0.658 -2.944 6.486 1.00 72.11 C ATOM 1344 OG1 THR A 90 1.725 -3.222 7.403 1.00 25.53 O ATOM 1345 CG2 THR A 90 0.489 -4.143 5.563 1.00 23.25 C ATOM 0 H THR A 90 0.768 -0.550 7.408 1.00 41.13 H new ATOM 0 HA THR A 90 1.877 -1.912 5.067 1.00 13.35 H new ATOM 0 HB THR A 90 -0.277 -2.770 7.018 1.00 72.11 H new ATOM 0 HG1 THR A 90 1.510 -4.025 7.921 1.00 25.53 H new ATOM 0 HG21 THR A 90 0.242 -5.025 6.154 1.00 23.25 H new ATOM 0 HG22 THR A 90 -0.314 -3.945 4.853 1.00 23.25 H new ATOM 0 HG23 THR A 90 1.418 -4.318 5.020 1.00 23.25 H new ATOM 1353 N VAL A 91 0.051 -1.346 3.504 1.00 72.14 N ATOM 1354 CA VAL A 91 -0.904 -0.920 2.505 1.00 3.12 C ATOM 1355 C VAL A 91 -1.110 -2.063 1.533 1.00 34.12 C ATOM 1356 O VAL A 91 -0.274 -2.953 1.458 1.00 24.23 O ATOM 1357 CB VAL A 91 -0.366 0.339 1.764 1.00 2.41 C ATOM 1358 CG1 VAL A 91 -0.163 1.464 2.752 1.00 44.35 C ATOM 1359 CG2 VAL A 91 0.942 0.017 1.054 1.00 3.10 C ATOM 0 H VAL A 91 0.916 -1.713 3.108 1.00 72.14 H new ATOM 0 HA VAL A 91 -1.854 -0.657 2.971 1.00 3.12 H new ATOM 0 HB VAL A 91 -1.096 0.650 1.016 1.00 2.41 H new ATOM 0 HG11 VAL A 91 0.214 2.343 2.230 1.00 44.35 H new ATOM 0 HG12 VAL A 91 -1.113 1.705 3.230 1.00 44.35 H new ATOM 0 HG13 VAL A 91 0.557 1.157 3.511 1.00 44.35 H new ATOM 0 HG21 VAL A 91 1.306 0.907 0.540 1.00 3.10 H new ATOM 0 HG22 VAL A 91 1.682 -0.308 1.785 1.00 3.10 H new ATOM 0 HG23 VAL A 91 0.775 -0.778 0.328 1.00 3.10 H new ATOM 1369 N GLU A 92 -2.187 -2.086 0.822 1.00 13.42 N ATOM 1370 CA GLU A 92 -2.395 -3.179 -0.090 1.00 53.23 C ATOM 1371 C GLU A 92 -2.353 -2.642 -1.506 1.00 72.05 C ATOM 1372 O GLU A 92 -2.996 -1.634 -1.816 1.00 11.22 O ATOM 1373 CB GLU A 92 -3.722 -3.879 0.196 1.00 12.33 C ATOM 1374 CG GLU A 92 -3.781 -5.300 -0.330 1.00 15.24 C ATOM 1375 CD GLU A 92 -5.136 -5.940 -0.140 1.00 22.03 C ATOM 1376 OE1 GLU A 92 -6.028 -5.733 -0.968 1.00 70.23 O ATOM 1377 OE2 GLU A 92 -5.329 -6.661 0.860 1.00 42.32 O ATOM 0 H GLU A 92 -2.926 -1.383 0.846 1.00 13.42 H new ATOM 0 HA GLU A 92 -1.607 -3.921 0.038 1.00 53.23 H new ATOM 0 HB2 GLU A 92 -3.893 -3.891 1.272 1.00 12.33 H new ATOM 0 HB3 GLU A 92 -4.532 -3.301 -0.249 1.00 12.33 H new ATOM 0 HG2 GLU A 92 -3.530 -5.300 -1.391 1.00 15.24 H new ATOM 0 HG3 GLU A 92 -3.026 -5.901 0.177 1.00 15.24 H new ATOM 1384 N VAL A 93 -1.612 -3.296 -2.357 1.00 14.11 N ATOM 1385 CA VAL A 93 -1.429 -2.848 -3.701 1.00 0.44 C ATOM 1386 C VAL A 93 -1.774 -3.948 -4.671 1.00 44.23 C ATOM 1387 O VAL A 93 -1.953 -5.102 -4.290 1.00 23.41 O ATOM 1388 CB VAL A 93 0.045 -2.416 -3.985 1.00 14.11 C ATOM 1389 CG1 VAL A 93 0.511 -1.354 -3.037 1.00 74.35 C ATOM 1390 CG2 VAL A 93 0.988 -3.588 -3.979 1.00 51.11 C ATOM 0 H VAL A 93 -1.117 -4.159 -2.132 1.00 14.11 H new ATOM 0 HA VAL A 93 -2.086 -1.988 -3.830 1.00 0.44 H new ATOM 0 HB VAL A 93 0.052 -1.991 -4.989 1.00 14.11 H new ATOM 0 HG11 VAL A 93 1.541 -1.084 -3.271 1.00 74.35 H new ATOM 0 HG12 VAL A 93 -0.126 -0.475 -3.134 1.00 74.35 H new ATOM 0 HG13 VAL A 93 0.458 -1.730 -2.015 1.00 74.35 H new ATOM 0 HG21 VAL A 93 2.001 -3.241 -4.181 1.00 51.11 H new ATOM 0 HG22 VAL A 93 0.958 -4.074 -3.004 1.00 51.11 H new ATOM 0 HG23 VAL A 93 0.689 -4.300 -4.748 1.00 51.11 H new ATOM 1400 N VAL A 94 -1.872 -3.586 -5.901 1.00 61.44 N ATOM 1401 CA VAL A 94 -2.120 -4.515 -6.952 1.00 13.02 C ATOM 1402 C VAL A 94 -0.908 -4.666 -7.805 1.00 1.24 C ATOM 1403 O VAL A 94 -0.464 -3.709 -8.402 1.00 44.31 O ATOM 1404 CB VAL A 94 -3.326 -4.092 -7.814 1.00 33.41 C ATOM 1405 CG1 VAL A 94 -3.452 -4.980 -9.055 1.00 2.42 C ATOM 1406 CG2 VAL A 94 -4.595 -4.189 -6.988 1.00 32.42 C ATOM 0 H VAL A 94 -1.781 -2.619 -6.213 1.00 61.44 H new ATOM 0 HA VAL A 94 -2.359 -5.475 -6.494 1.00 13.02 H new ATOM 0 HB VAL A 94 -3.173 -3.064 -8.142 1.00 33.41 H new ATOM 0 HG11 VAL A 94 -4.311 -4.660 -9.646 1.00 2.42 H new ATOM 0 HG12 VAL A 94 -2.547 -4.896 -9.656 1.00 2.42 H new ATOM 0 HG13 VAL A 94 -3.589 -6.017 -8.748 1.00 2.42 H new ATOM 0 HG21 VAL A 94 -5.449 -3.890 -7.596 1.00 32.42 H new ATOM 0 HG22 VAL A 94 -4.732 -5.216 -6.650 1.00 32.42 H new ATOM 0 HG23 VAL A 94 -4.517 -3.530 -6.123 1.00 32.42 H new ATOM 1416 N ARG A 95 -0.358 -5.862 -7.837 1.00 21.30 N ATOM 1417 CA ARG A 95 0.754 -6.164 -8.694 1.00 74.30 C ATOM 1418 C ARG A 95 0.294 -6.059 -10.137 1.00 63.31 C ATOM 1419 O ARG A 95 -0.326 -6.962 -10.666 1.00 31.43 O ATOM 1420 CB ARG A 95 1.336 -7.563 -8.404 1.00 31.54 C ATOM 1421 CG ARG A 95 2.357 -8.032 -9.441 1.00 51.32 C ATOM 1422 CD ARG A 95 2.835 -9.458 -9.196 1.00 11.52 C ATOM 1423 NE ARG A 95 3.716 -9.592 -8.033 1.00 51.33 N ATOM 1424 CZ ARG A 95 4.195 -10.767 -7.597 1.00 54.35 C ATOM 1425 NH1 ARG A 95 3.619 -11.906 -7.971 1.00 40.41 N ATOM 1426 NH2 ARG A 95 5.198 -10.788 -6.729 1.00 21.33 N ATOM 0 H ARG A 95 -0.674 -6.647 -7.268 1.00 21.30 H new ATOM 0 HA ARG A 95 1.553 -5.448 -8.505 1.00 74.30 H new ATOM 0 HB2 ARG A 95 1.808 -7.554 -7.421 1.00 31.54 H new ATOM 0 HB3 ARG A 95 0.520 -8.284 -8.359 1.00 31.54 H new ATOM 0 HG2 ARG A 95 1.914 -7.968 -10.435 1.00 51.32 H new ATOM 0 HG3 ARG A 95 3.215 -7.359 -9.430 1.00 51.32 H new ATOM 0 HD2 ARG A 95 1.968 -10.104 -9.060 1.00 11.52 H new ATOM 0 HD3 ARG A 95 3.361 -9.813 -10.082 1.00 11.52 H new ATOM 0 HE ARG A 95 3.979 -8.746 -7.527 1.00 51.33 H new ATOM 0 HH11 ARG A 95 2.810 -11.888 -8.592 1.00 40.41 H new ATOM 0 HH12 ARG A 95 3.986 -12.797 -7.637 1.00 40.41 H new ATOM 0 HH21 ARG A 95 5.602 -9.913 -6.395 1.00 21.33 H new ATOM 0 HH22 ARG A 95 5.565 -11.679 -6.395 1.00 21.33 H new ATOM 1440 N MET A 96 0.590 -4.936 -10.715 1.00 45.42 N ATOM 1441 CA MET A 96 0.231 -4.544 -12.073 1.00 3.12 C ATOM 1442 C MET A 96 0.686 -5.593 -13.080 1.00 2.12 C ATOM 1443 O MET A 96 -0.001 -5.866 -14.054 1.00 74.12 O ATOM 1444 CB MET A 96 0.853 -3.138 -12.319 1.00 43.53 C ATOM 1445 CG MET A 96 0.686 -2.495 -13.692 1.00 33.12 C ATOM 1446 SD MET A 96 1.692 -3.248 -14.993 1.00 53.45 S ATOM 1447 CE MET A 96 1.276 -2.196 -16.386 1.00 1.10 C ATOM 0 H MET A 96 1.123 -4.212 -10.233 1.00 45.42 H new ATOM 0 HA MET A 96 -0.850 -4.482 -12.202 1.00 3.12 H new ATOM 0 HB2 MET A 96 0.431 -2.456 -11.581 1.00 43.53 H new ATOM 0 HB3 MET A 96 1.921 -3.208 -12.114 1.00 43.53 H new ATOM 0 HG2 MET A 96 -0.363 -2.551 -13.982 1.00 33.12 H new ATOM 0 HG3 MET A 96 0.940 -1.438 -13.619 1.00 33.12 H new ATOM 0 HE1 MET A 96 1.362 -2.766 -17.311 1.00 1.10 H new ATOM 0 HE2 MET A 96 0.254 -1.834 -16.276 1.00 1.10 H new ATOM 0 HE3 MET A 96 1.959 -1.348 -16.418 1.00 1.10 H new ATOM 1457 N ASP A 97 1.819 -6.203 -12.794 1.00 12.41 N ATOM 1458 CA ASP A 97 2.381 -7.267 -13.630 1.00 43.15 C ATOM 1459 C ASP A 97 1.424 -8.462 -13.772 1.00 51.10 C ATOM 1460 O ASP A 97 1.238 -8.989 -14.867 1.00 72.05 O ATOM 1461 CB ASP A 97 3.728 -7.742 -13.052 1.00 22.10 C ATOM 1462 CG ASP A 97 4.348 -8.895 -13.836 1.00 61.15 C ATOM 1463 OD1 ASP A 97 5.046 -8.643 -14.829 1.00 71.31 O ATOM 1464 OD2 ASP A 97 4.166 -10.073 -13.444 1.00 72.43 O ATOM 0 H ASP A 97 2.384 -5.980 -11.975 1.00 12.41 H new ATOM 0 HA ASP A 97 2.535 -6.848 -14.625 1.00 43.15 H new ATOM 0 HB2 ASP A 97 4.425 -6.904 -13.039 1.00 22.10 H new ATOM 0 HB3 ASP A 97 3.582 -8.052 -12.017 1.00 22.10 H new ATOM 1469 N ASN A 98 0.771 -8.849 -12.688 1.00 44.24 N ATOM 1470 CA ASN A 98 -0.036 -10.077 -12.707 1.00 75.32 C ATOM 1471 C ASN A 98 -1.531 -9.803 -12.420 1.00 24.33 C ATOM 1472 O ASN A 98 -2.361 -10.709 -12.476 1.00 21.03 O ATOM 1473 CB ASN A 98 0.536 -11.090 -11.699 1.00 22.22 C ATOM 1474 CG ASN A 98 -0.122 -12.462 -11.777 1.00 35.15 C ATOM 1475 OD1 ASN A 98 -0.566 -12.890 -12.837 1.00 23.33 O ATOM 1476 ND2 ASN A 98 -0.180 -13.147 -10.676 1.00 15.53 N ATOM 0 H ASN A 98 0.777 -8.350 -11.799 1.00 44.24 H new ATOM 0 HA ASN A 98 0.018 -10.495 -13.712 1.00 75.32 H new ATOM 0 HB2 ASN A 98 1.607 -11.199 -11.873 1.00 22.22 H new ATOM 0 HB3 ASN A 98 0.415 -10.695 -10.690 1.00 22.22 H new ATOM 0 HD21 ASN A 98 -0.606 -14.074 -10.674 1.00 15.53 H new ATOM 0 HD22 ASN A 98 0.200 -12.758 -9.813 1.00 15.53 H new ATOM 1483 N SER A 99 -1.857 -8.546 -12.122 1.00 35.42 N ATOM 1484 CA SER A 99 -3.231 -8.108 -11.809 1.00 32.20 C ATOM 1485 C SER A 99 -3.727 -8.708 -10.468 1.00 32.12 C ATOM 1486 O SER A 99 -4.940 -8.799 -10.219 1.00 2.11 O ATOM 1487 CB SER A 99 -4.189 -8.465 -12.970 1.00 2.20 C ATOM 1488 OG SER A 99 -3.742 -7.879 -14.198 1.00 33.31 O ATOM 0 H SER A 99 -1.173 -7.790 -12.089 1.00 35.42 H new ATOM 0 HA SER A 99 -3.221 -7.024 -11.693 1.00 32.20 H new ATOM 0 HB2 SER A 99 -4.248 -9.548 -13.079 1.00 2.20 H new ATOM 0 HB3 SER A 99 -5.194 -8.113 -12.739 1.00 2.20 H new ATOM 0 HG SER A 99 -4.361 -8.119 -14.919 1.00 33.31 H new ATOM 1494 N GLU A 100 -2.789 -9.048 -9.587 1.00 23.02 N ATOM 1495 CA GLU A 100 -3.129 -9.658 -8.310 1.00 13.02 C ATOM 1496 C GLU A 100 -2.982 -8.627 -7.209 1.00 44.23 C ATOM 1497 O GLU A 100 -2.285 -7.638 -7.377 1.00 70.21 O ATOM 1498 CB GLU A 100 -2.203 -10.849 -8.023 1.00 61.14 C ATOM 1499 CG GLU A 100 -0.763 -10.434 -7.808 1.00 44.22 C ATOM 1500 CD GLU A 100 0.212 -11.583 -7.641 1.00 2.41 C ATOM 1501 OE1 GLU A 100 0.311 -12.147 -6.542 1.00 55.14 O ATOM 1502 OE2 GLU A 100 0.921 -11.911 -8.603 1.00 30.42 O ATOM 0 H GLU A 100 -1.789 -8.910 -9.736 1.00 23.02 H new ATOM 0 HA GLU A 100 -4.158 -10.015 -8.350 1.00 13.02 H new ATOM 0 HB2 GLU A 100 -2.560 -11.376 -7.138 1.00 61.14 H new ATOM 0 HB3 GLU A 100 -2.254 -11.551 -8.855 1.00 61.14 H new ATOM 0 HG2 GLU A 100 -0.445 -9.826 -8.655 1.00 44.22 H new ATOM 0 HG3 GLU A 100 -0.711 -9.800 -6.923 1.00 44.22 H new ATOM 1509 N LYS A 101 -3.610 -8.858 -6.106 1.00 60.41 N ATOM 1510 CA LYS A 101 -3.530 -7.937 -4.992 1.00 25.20 C ATOM 1511 C LYS A 101 -2.575 -8.502 -3.963 1.00 62.03 C ATOM 1512 O LYS A 101 -2.632 -9.690 -3.653 1.00 22.12 O ATOM 1513 CB LYS A 101 -4.885 -7.726 -4.323 1.00 42.43 C ATOM 1514 CG LYS A 101 -6.035 -7.360 -5.248 1.00 23.34 C ATOM 1515 CD LYS A 101 -7.302 -7.055 -4.448 1.00 22.43 C ATOM 1516 CE LYS A 101 -7.752 -8.244 -3.605 1.00 2.00 C ATOM 1517 NZ LYS A 101 -8.936 -7.919 -2.778 1.00 4.21 N ATOM 0 H LYS A 101 -4.192 -9.679 -5.938 1.00 60.41 H new ATOM 0 HA LYS A 101 -3.186 -6.977 -5.376 1.00 25.20 H new ATOM 0 HB2 LYS A 101 -5.150 -8.639 -3.789 1.00 42.43 H new ATOM 0 HB3 LYS A 101 -4.781 -6.939 -3.576 1.00 42.43 H new ATOM 0 HG2 LYS A 101 -5.762 -6.493 -5.849 1.00 23.34 H new ATOM 0 HG3 LYS A 101 -6.226 -8.180 -5.940 1.00 23.34 H new ATOM 0 HD2 LYS A 101 -7.122 -6.199 -3.798 1.00 22.43 H new ATOM 0 HD3 LYS A 101 -8.102 -6.773 -5.132 1.00 22.43 H new ATOM 0 HE2 LYS A 101 -7.986 -9.084 -4.259 1.00 2.00 H new ATOM 0 HE3 LYS A 101 -6.934 -8.561 -2.958 1.00 2.00 H new ATOM 0 HZ1 LYS A 101 -9.210 -8.753 -2.221 1.00 4.21 H new ATOM 0 HZ2 LYS A 101 -8.706 -7.134 -2.136 1.00 4.21 H new ATOM 0 HZ3 LYS A 101 -9.725 -7.641 -3.396 1.00 4.21 H new ATOM 1531 N VAL A 102 -1.708 -7.676 -3.450 1.00 14.43 N ATOM 1532 CA VAL A 102 -0.749 -8.081 -2.452 1.00 23.52 C ATOM 1533 C VAL A 102 -0.640 -7.020 -1.365 1.00 64.11 C ATOM 1534 O VAL A 102 -0.650 -5.817 -1.646 1.00 75.44 O ATOM 1535 CB VAL A 102 0.667 -8.372 -3.053 1.00 34.30 C ATOM 1536 CG1 VAL A 102 0.637 -9.580 -3.977 1.00 50.22 C ATOM 1537 CG2 VAL A 102 1.207 -7.162 -3.804 1.00 10.30 C ATOM 0 H VAL A 102 -1.643 -6.693 -3.713 1.00 14.43 H new ATOM 0 HA VAL A 102 -1.116 -9.014 -2.025 1.00 23.52 H new ATOM 0 HB VAL A 102 1.332 -8.589 -2.217 1.00 34.30 H new ATOM 0 HG11 VAL A 102 1.635 -9.756 -4.378 1.00 50.22 H new ATOM 0 HG12 VAL A 102 0.310 -10.457 -3.419 1.00 50.22 H new ATOM 0 HG13 VAL A 102 -0.056 -9.393 -4.797 1.00 50.22 H new ATOM 0 HG21 VAL A 102 2.191 -7.395 -4.210 1.00 10.30 H new ATOM 0 HG22 VAL A 102 0.530 -6.908 -4.619 1.00 10.30 H new ATOM 0 HG23 VAL A 102 1.287 -6.316 -3.121 1.00 10.30 H new ATOM 1547 N LYS A 103 -0.566 -7.457 -0.145 1.00 20.30 N ATOM 1548 CA LYS A 103 -0.435 -6.562 0.971 1.00 75.01 C ATOM 1549 C LYS A 103 1.049 -6.298 1.190 1.00 73.10 C ATOM 1550 O LYS A 103 1.842 -7.234 1.310 1.00 4.23 O ATOM 1551 CB LYS A 103 -1.059 -7.198 2.198 1.00 72.04 C ATOM 1552 CG LYS A 103 -1.128 -6.299 3.398 1.00 10.01 C ATOM 1553 CD LYS A 103 -2.162 -5.202 3.253 1.00 54.52 C ATOM 1554 CE LYS A 103 -3.583 -5.754 3.302 1.00 1.13 C ATOM 1555 NZ LYS A 103 -3.867 -6.471 4.569 1.00 73.30 N ATOM 0 H LYS A 103 -0.594 -8.445 0.108 1.00 20.30 H new ATOM 0 HA LYS A 103 -0.947 -5.619 0.780 1.00 75.01 H new ATOM 0 HB2 LYS A 103 -2.068 -7.527 1.948 1.00 72.04 H new ATOM 0 HB3 LYS A 103 -0.489 -8.089 2.460 1.00 72.04 H new ATOM 0 HG2 LYS A 103 -1.360 -6.896 4.280 1.00 10.01 H new ATOM 0 HG3 LYS A 103 -0.149 -5.849 3.566 1.00 10.01 H new ATOM 0 HD2 LYS A 103 -2.029 -4.469 4.049 1.00 54.52 H new ATOM 0 HD3 LYS A 103 -2.007 -4.679 2.309 1.00 54.52 H new ATOM 0 HE2 LYS A 103 -4.292 -4.935 3.184 1.00 1.13 H new ATOM 0 HE3 LYS A 103 -3.736 -6.432 2.462 1.00 1.13 H new ATOM 0 HZ1 LYS A 103 -4.896 -6.559 4.695 1.00 73.30 H new ATOM 0 HZ2 LYS A 103 -3.440 -7.419 4.535 1.00 73.30 H new ATOM 0 HZ3 LYS A 103 -3.465 -5.938 5.367 1.00 73.30 H new ATOM 1569 N VAL A 104 1.423 -5.043 1.220 1.00 44.31 N ATOM 1570 CA VAL A 104 2.822 -4.661 1.286 1.00 42.40 C ATOM 1571 C VAL A 104 3.028 -3.581 2.357 1.00 44.34 C ATOM 1572 O VAL A 104 2.073 -3.093 2.944 1.00 34.54 O ATOM 1573 CB VAL A 104 3.287 -4.082 -0.096 1.00 74.02 C ATOM 1574 CG1 VAL A 104 3.004 -5.053 -1.234 1.00 74.15 C ATOM 1575 CG2 VAL A 104 2.621 -2.754 -0.384 1.00 23.20 C ATOM 0 H VAL A 104 0.774 -4.257 1.200 1.00 44.31 H new ATOM 0 HA VAL A 104 3.405 -5.547 1.536 1.00 42.40 H new ATOM 0 HB VAL A 104 4.364 -3.931 -0.030 1.00 74.02 H new ATOM 0 HG11 VAL A 104 3.339 -4.618 -2.175 1.00 74.15 H new ATOM 0 HG12 VAL A 104 3.536 -5.987 -1.056 1.00 74.15 H new ATOM 0 HG13 VAL A 104 1.933 -5.250 -1.286 1.00 74.15 H new ATOM 0 HG21 VAL A 104 2.963 -2.377 -1.348 1.00 23.20 H new ATOM 0 HG22 VAL A 104 1.539 -2.887 -0.409 1.00 23.20 H new ATOM 0 HG23 VAL A 104 2.881 -2.040 0.397 1.00 23.20 H new ATOM 1585 N GLU A 105 4.256 -3.220 2.599 1.00 22.14 N ATOM 1586 CA GLU A 105 4.558 -2.137 3.492 1.00 51.51 C ATOM 1587 C GLU A 105 5.084 -0.990 2.657 1.00 54.25 C ATOM 1588 O GLU A 105 5.677 -1.212 1.592 1.00 10.13 O ATOM 1589 CB GLU A 105 5.593 -2.536 4.552 1.00 72.02 C ATOM 1590 CG GLU A 105 5.218 -3.768 5.356 1.00 71.40 C ATOM 1591 CD GLU A 105 6.134 -3.995 6.536 1.00 45.31 C ATOM 1592 OE1 GLU A 105 7.317 -4.319 6.342 1.00 64.34 O ATOM 1593 OE2 GLU A 105 5.669 -3.865 7.682 1.00 51.23 O ATOM 0 H GLU A 105 5.074 -3.666 2.184 1.00 22.14 H new ATOM 0 HA GLU A 105 3.654 -1.852 4.030 1.00 51.51 H new ATOM 0 HB2 GLU A 105 6.550 -2.714 4.061 1.00 72.02 H new ATOM 0 HB3 GLU A 105 5.737 -1.700 5.236 1.00 72.02 H new ATOM 0 HG2 GLU A 105 4.193 -3.667 5.711 1.00 71.40 H new ATOM 0 HG3 GLU A 105 5.245 -4.643 4.706 1.00 71.40 H new ATOM 1600 N THR A 106 4.869 0.208 3.095 1.00 51.20 N ATOM 1601 CA THR A 106 5.301 1.342 2.339 1.00 11.44 C ATOM 1602 C THR A 106 5.718 2.446 3.283 1.00 53.24 C ATOM 1603 O THR A 106 5.584 2.311 4.520 1.00 20.11 O ATOM 1604 CB THR A 106 4.178 1.852 1.384 1.00 2.23 C ATOM 1605 OG1 THR A 106 4.696 2.843 0.485 1.00 61.24 O ATOM 1606 CG2 THR A 106 3.048 2.473 2.187 1.00 51.43 C ATOM 0 H THR A 106 4.397 0.428 3.972 1.00 51.20 H new ATOM 0 HA THR A 106 6.149 1.042 1.724 1.00 11.44 H new ATOM 0 HB THR A 106 3.806 0.999 0.816 1.00 2.23 H new ATOM 0 HG1 THR A 106 5.126 2.401 -0.276 1.00 61.24 H new ATOM 0 HG21 THR A 106 2.271 2.825 1.509 1.00 51.43 H new ATOM 0 HG22 THR A 106 2.630 1.727 2.863 1.00 51.43 H new ATOM 0 HG23 THR A 106 3.432 3.313 2.766 1.00 51.43 H new ATOM 1614 N TYR A 107 6.226 3.503 2.719 1.00 41.12 N ATOM 1615 CA TYR A 107 6.619 4.645 3.458 1.00 43.05 C ATOM 1616 C TYR A 107 5.611 5.730 3.209 1.00 21.05 C ATOM 1617 O TYR A 107 5.429 6.171 2.074 1.00 13.34 O ATOM 1618 CB TYR A 107 7.992 5.144 2.990 1.00 62.11 C ATOM 1619 CG TYR A 107 9.126 4.198 3.221 1.00 55.55 C ATOM 1620 CD1 TYR A 107 9.781 4.168 4.441 1.00 60.14 C ATOM 1621 CD2 TYR A 107 9.551 3.333 2.224 1.00 34.53 C ATOM 1622 CE1 TYR A 107 10.823 3.307 4.662 1.00 20.55 C ATOM 1623 CE2 TYR A 107 10.594 2.465 2.438 1.00 23.54 C ATOM 1624 CZ TYR A 107 11.227 2.457 3.658 1.00 4.21 C ATOM 1625 OH TYR A 107 12.251 1.581 3.885 1.00 13.05 O ATOM 0 H TYR A 107 6.377 3.587 1.714 1.00 41.12 H new ATOM 0 HA TYR A 107 6.676 4.388 4.516 1.00 43.05 H new ATOM 0 HB2 TYR A 107 7.936 5.366 1.924 1.00 62.11 H new ATOM 0 HB3 TYR A 107 8.213 6.082 3.499 1.00 62.11 H new ATOM 0 HD1 TYR A 107 9.465 4.834 5.230 1.00 60.14 H new ATOM 0 HD2 TYR A 107 9.055 3.342 1.265 1.00 34.53 H new ATOM 0 HE1 TYR A 107 11.325 3.295 5.618 1.00 20.55 H new ATOM 0 HE2 TYR A 107 10.914 1.794 1.654 1.00 23.54 H new ATOM 0 HH TYR A 107 11.979 0.681 3.609 1.00 13.05 H new ATOM 1635 N VAL A 108 4.964 6.150 4.242 1.00 0.41 N ATOM 1636 CA VAL A 108 4.033 7.230 4.146 1.00 3.14 C ATOM 1637 C VAL A 108 4.617 8.398 4.916 1.00 62.33 C ATOM 1638 O VAL A 108 5.361 8.194 5.871 1.00 24.32 O ATOM 1639 CB VAL A 108 2.617 6.835 4.674 1.00 1.32 C ATOM 1640 CG1 VAL A 108 2.641 6.476 6.134 1.00 3.13 C ATOM 1641 CG2 VAL A 108 1.591 7.916 4.402 1.00 4.34 C ATOM 0 H VAL A 108 5.063 5.757 5.178 1.00 0.41 H new ATOM 0 HA VAL A 108 3.884 7.502 3.101 1.00 3.14 H new ATOM 0 HB VAL A 108 2.317 5.946 4.120 1.00 1.32 H new ATOM 0 HG11 VAL A 108 1.636 6.208 6.459 1.00 3.13 H new ATOM 0 HG12 VAL A 108 3.310 5.630 6.290 1.00 3.13 H new ATOM 0 HG13 VAL A 108 2.994 7.329 6.713 1.00 3.13 H new ATOM 0 HG21 VAL A 108 0.620 7.601 4.785 1.00 4.34 H new ATOM 0 HG22 VAL A 108 1.894 8.839 4.897 1.00 4.34 H new ATOM 0 HG23 VAL A 108 1.519 8.087 3.328 1.00 4.34 H new ATOM 1651 N TRP A 109 4.327 9.588 4.491 1.00 4.31 N ATOM 1652 CA TRP A 109 4.903 10.766 5.087 1.00 24.51 C ATOM 1653 C TRP A 109 4.247 10.965 6.445 1.00 71.43 C ATOM 1654 O TRP A 109 3.046 11.007 6.520 1.00 61.25 O ATOM 1655 CB TRP A 109 4.618 11.935 4.146 1.00 72.22 C ATOM 1656 CG TRP A 109 5.427 13.165 4.369 1.00 54.35 C ATOM 1657 CD1 TRP A 109 4.980 14.388 4.730 1.00 64.45 C ATOM 1658 CD2 TRP A 109 6.839 13.280 4.217 1.00 33.22 C ATOM 1659 NE1 TRP A 109 6.035 15.268 4.804 1.00 14.32 N ATOM 1660 CE2 TRP A 109 7.188 14.602 4.495 1.00 52.43 C ATOM 1661 CE3 TRP A 109 7.834 12.387 3.872 1.00 24.04 C ATOM 1662 CZ2 TRP A 109 8.506 15.052 4.430 1.00 61.13 C ATOM 1663 CZ3 TRP A 109 9.128 12.816 3.813 1.00 20.14 C ATOM 1664 CH2 TRP A 109 9.463 14.141 4.086 1.00 22.51 C ATOM 0 H TRP A 109 3.685 9.777 3.721 1.00 4.31 H new ATOM 0 HA TRP A 109 5.980 10.683 5.232 1.00 24.51 H new ATOM 0 HB2 TRP A 109 4.779 11.599 3.122 1.00 72.22 H new ATOM 0 HB3 TRP A 109 3.564 12.197 4.233 1.00 72.22 H new ATOM 0 HD1 TRP A 109 3.949 14.637 4.931 1.00 64.45 H new ATOM 0 HE1 TRP A 109 5.968 16.256 5.049 1.00 14.32 H new ATOM 0 HE3 TRP A 109 7.590 11.358 3.651 1.00 24.04 H new ATOM 0 HZ2 TRP A 109 8.760 16.080 4.643 1.00 61.13 H new ATOM 0 HZ3 TRP A 109 9.907 12.116 3.550 1.00 20.14 H new ATOM 0 HH2 TRP A 109 10.495 14.452 4.024 1.00 22.51 H new ATOM 1675 N VAL A 110 5.034 11.076 7.516 1.00 3.35 N ATOM 1676 CA VAL A 110 4.479 11.177 8.868 1.00 21.44 C ATOM 1677 C VAL A 110 3.630 12.416 9.067 1.00 3.35 C ATOM 1678 O VAL A 110 2.746 12.446 9.933 1.00 33.14 O ATOM 1679 CB VAL A 110 5.554 11.102 9.967 1.00 62.13 C ATOM 1680 CG1 VAL A 110 6.191 9.754 10.002 1.00 44.12 C ATOM 1681 CG2 VAL A 110 6.601 12.150 9.780 1.00 24.44 C ATOM 0 H VAL A 110 6.053 11.098 7.475 1.00 3.35 H new ATOM 0 HA VAL A 110 3.834 10.304 8.965 1.00 21.44 H new ATOM 0 HB VAL A 110 5.053 11.281 10.918 1.00 62.13 H new ATOM 0 HG11 VAL A 110 6.946 9.729 10.787 1.00 44.12 H new ATOM 0 HG12 VAL A 110 5.432 8.998 10.204 1.00 44.12 H new ATOM 0 HG13 VAL A 110 6.661 9.548 9.040 1.00 44.12 H new ATOM 0 HG21 VAL A 110 7.344 12.068 10.573 1.00 24.44 H new ATOM 0 HG22 VAL A 110 7.086 12.012 8.813 1.00 24.44 H new ATOM 0 HG23 VAL A 110 6.139 13.137 9.816 1.00 24.44 H new ATOM 1691 N ASN A 111 3.864 13.412 8.241 1.00 44.51 N ATOM 1692 CA ASN A 111 3.132 14.678 8.286 1.00 54.21 C ATOM 1693 C ASN A 111 1.766 14.533 7.550 1.00 73.32 C ATOM 1694 O ASN A 111 1.070 15.506 7.284 1.00 2.24 O ATOM 1695 CB ASN A 111 3.999 15.789 7.669 1.00 4.11 C ATOM 1696 CG ASN A 111 3.419 17.178 7.824 1.00 34.53 C ATOM 1697 OD1 ASN A 111 2.726 17.472 8.792 1.00 53.34 O ATOM 1698 ND2 ASN A 111 3.711 18.041 6.885 1.00 60.32 N ATOM 0 H ASN A 111 4.573 13.375 7.509 1.00 44.51 H new ATOM 0 HA ASN A 111 2.918 14.948 9.320 1.00 54.21 H new ATOM 0 HB2 ASN A 111 4.986 15.765 8.131 1.00 4.11 H new ATOM 0 HB3 ASN A 111 4.138 15.581 6.608 1.00 4.11 H new ATOM 0 HD21 ASN A 111 3.359 18.997 6.943 1.00 60.32 H new ATOM 0 HD22 ASN A 111 4.291 17.758 6.095 1.00 60.32 H new ATOM 1705 N LYS A 112 1.400 13.274 7.265 1.00 30.24 N ATOM 1706 CA LYS A 112 0.156 12.874 6.570 1.00 64.43 C ATOM 1707 C LYS A 112 -1.142 13.477 7.116 1.00 52.52 C ATOM 1708 O LYS A 112 -2.172 13.422 6.461 1.00 32.23 O ATOM 1709 CB LYS A 112 0.067 11.338 6.461 1.00 43.43 C ATOM 1710 CG LYS A 112 0.309 10.592 7.753 1.00 43.04 C ATOM 1711 CD LYS A 112 -0.827 10.718 8.742 1.00 1.13 C ATOM 1712 CE LYS A 112 -0.407 10.251 10.115 1.00 1.33 C ATOM 1713 NZ LYS A 112 0.089 8.842 10.148 1.00 54.20 N ATOM 0 H LYS A 112 1.980 12.474 7.519 1.00 30.24 H new ATOM 0 HA LYS A 112 0.241 13.311 5.575 1.00 64.43 H new ATOM 0 HB2 LYS A 112 -0.921 11.072 6.085 1.00 43.43 H new ATOM 0 HB3 LYS A 112 0.792 10.998 5.721 1.00 43.43 H new ATOM 0 HG2 LYS A 112 0.471 9.537 7.530 1.00 43.04 H new ATOM 0 HG3 LYS A 112 1.224 10.965 8.213 1.00 43.04 H new ATOM 0 HD2 LYS A 112 -1.156 11.756 8.792 1.00 1.13 H new ATOM 0 HD3 LYS A 112 -1.678 10.130 8.399 1.00 1.13 H new ATOM 0 HE2 LYS A 112 0.376 10.911 10.489 1.00 1.33 H new ATOM 0 HE3 LYS A 112 -1.254 10.344 10.795 1.00 1.33 H new ATOM 0 HZ1 LYS A 112 -0.026 8.456 11.107 1.00 54.20 H new ATOM 0 HZ2 LYS A 112 -0.456 8.266 9.475 1.00 54.20 H new ATOM 0 HZ3 LYS A 112 1.095 8.822 9.885 1.00 54.20 H new ATOM 1727 N ASP A 113 -1.097 14.037 8.298 1.00 61.51 N ATOM 1728 CA ASP A 113 -2.298 14.610 8.888 1.00 62.22 C ATOM 1729 C ASP A 113 -2.606 16.002 8.329 1.00 2.43 C ATOM 1730 O ASP A 113 -3.734 16.481 8.417 1.00 74.44 O ATOM 1731 CB ASP A 113 -2.208 14.650 10.412 1.00 21.22 C ATOM 1732 CG ASP A 113 -3.432 15.273 11.049 1.00 20.01 C ATOM 1733 OD1 ASP A 113 -4.508 14.645 11.019 1.00 42.51 O ATOM 1734 OD2 ASP A 113 -3.335 16.419 11.575 1.00 40.21 O ATOM 0 H ASP A 113 -0.257 14.112 8.871 1.00 61.51 H new ATOM 0 HA ASP A 113 -3.124 13.955 8.613 1.00 62.22 H new ATOM 0 HB2 ASP A 113 -2.081 13.636 10.792 1.00 21.22 H new ATOM 0 HB3 ASP A 113 -1.323 15.214 10.706 1.00 21.22 H new ATOM 1739 N ASP A 114 -1.641 16.628 7.716 1.00 70.32 N ATOM 1740 CA ASP A 114 -1.865 17.974 7.226 1.00 72.14 C ATOM 1741 C ASP A 114 -2.524 17.935 5.842 1.00 72.23 C ATOM 1742 O ASP A 114 -2.034 17.261 4.928 1.00 4.44 O ATOM 1743 CB ASP A 114 -0.570 18.775 7.196 1.00 52.33 C ATOM 1744 CG ASP A 114 -0.813 20.221 6.840 1.00 62.12 C ATOM 1745 OD1 ASP A 114 -1.051 21.040 7.754 1.00 74.33 O ATOM 1746 OD2 ASP A 114 -0.769 20.564 5.668 1.00 60.44 O ATOM 0 H ASP A 114 -0.711 16.247 7.543 1.00 70.32 H new ATOM 0 HA ASP A 114 -2.543 18.478 7.915 1.00 72.14 H new ATOM 0 HB2 ASP A 114 -0.084 18.717 8.170 1.00 52.33 H new ATOM 0 HB3 ASP A 114 0.114 18.333 6.472 1.00 52.33 H new ATOM 1751 N PRO A 115 -3.662 18.648 5.682 1.00 14.34 N ATOM 1752 CA PRO A 115 -4.471 18.631 4.452 1.00 54.44 C ATOM 1753 C PRO A 115 -3.853 19.363 3.245 1.00 20.23 C ATOM 1754 O PRO A 115 -4.411 19.313 2.139 1.00 34.51 O ATOM 1755 CB PRO A 115 -5.773 19.316 4.878 1.00 54.23 C ATOM 1756 CG PRO A 115 -5.370 20.224 5.981 1.00 24.34 C ATOM 1757 CD PRO A 115 -4.270 19.516 6.716 1.00 22.42 C ATOM 0 HA PRO A 115 -4.581 17.609 4.090 1.00 54.44 H new ATOM 0 HB2 PRO A 115 -6.220 19.869 4.052 1.00 54.23 H new ATOM 0 HB3 PRO A 115 -6.513 18.589 5.212 1.00 54.23 H new ATOM 0 HG2 PRO A 115 -5.026 21.182 5.592 1.00 24.34 H new ATOM 0 HG3 PRO A 115 -6.211 20.432 6.643 1.00 24.34 H new ATOM 0 HD2 PRO A 115 -3.545 20.219 7.126 1.00 22.42 H new ATOM 0 HD3 PRO A 115 -4.657 18.933 7.552 1.00 22.42 H new ATOM 1765 N ARG A 116 -2.741 20.036 3.430 1.00 5.13 N ATOM 1766 CA ARG A 116 -2.106 20.738 2.324 1.00 50.23 C ATOM 1767 C ARG A 116 -0.656 20.311 2.174 1.00 33.10 C ATOM 1768 O ARG A 116 0.185 20.567 3.038 1.00 21.51 O ATOM 1769 CB ARG A 116 -2.250 22.268 2.472 1.00 40.51 C ATOM 1770 CG ARG A 116 -1.839 22.782 3.831 1.00 20.24 C ATOM 1771 CD ARG A 116 -1.946 24.284 3.961 1.00 50.42 C ATOM 1772 NE ARG A 116 -1.647 24.692 5.336 1.00 25.34 N ATOM 1773 CZ ARG A 116 -1.415 25.931 5.757 1.00 2.33 C ATOM 1774 NH1 ARG A 116 -1.404 26.950 4.901 1.00 54.04 N ATOM 1775 NH2 ARG A 116 -1.186 26.147 7.048 1.00 1.31 N ATOM 0 H ARG A 116 -2.257 20.116 4.324 1.00 5.13 H new ATOM 0 HA ARG A 116 -2.622 20.461 1.405 1.00 50.23 H new ATOM 0 HB2 ARG A 116 -1.645 22.758 1.709 1.00 40.51 H new ATOM 0 HB3 ARG A 116 -3.287 22.547 2.285 1.00 40.51 H new ATOM 0 HG2 ARG A 116 -2.462 22.313 4.592 1.00 20.24 H new ATOM 0 HG3 ARG A 116 -0.811 22.480 4.030 1.00 20.24 H new ATOM 0 HD2 ARG A 116 -1.254 24.767 3.271 1.00 50.42 H new ATOM 0 HD3 ARG A 116 -2.949 24.610 3.686 1.00 50.42 H new ATOM 0 HE ARG A 116 -1.614 23.953 6.039 1.00 25.34 H new ATOM 0 HH11 ARG A 116 -1.575 26.785 3.909 1.00 54.04 H new ATOM 0 HH12 ARG A 116 -1.225 27.896 5.237 1.00 54.04 H new ATOM 0 HH21 ARG A 116 -1.189 25.366 7.704 1.00 1.31 H new ATOM 0 HH22 ARG A 116 -1.007 27.094 7.383 1.00 1.31 H new ATOM 1789 N MET A 117 -0.362 19.661 1.080 1.00 71.50 N ATOM 1790 CA MET A 117 0.969 19.154 0.851 1.00 14.41 C ATOM 1791 C MET A 117 1.209 19.067 -0.658 1.00 1.04 C ATOM 1792 O MET A 117 2.025 18.293 -1.146 1.00 51.12 O ATOM 1793 CB MET A 117 1.080 17.782 1.537 1.00 62.20 C ATOM 1794 CG MET A 117 2.494 17.246 1.671 1.00 53.23 C ATOM 1795 SD MET A 117 2.564 15.710 2.621 1.00 3.03 S ATOM 1796 CE MET A 117 1.817 16.226 4.172 1.00 1.22 C ATOM 0 H MET A 117 -1.026 19.469 0.330 1.00 71.50 H new ATOM 0 HA MET A 117 1.731 19.811 1.270 1.00 14.41 H new ATOM 0 HB2 MET A 117 0.638 17.852 2.531 1.00 62.20 H new ATOM 0 HB3 MET A 117 0.486 17.062 0.974 1.00 62.20 H new ATOM 0 HG2 MET A 117 2.910 17.075 0.678 1.00 53.23 H new ATOM 0 HG3 MET A 117 3.120 17.997 2.154 1.00 53.23 H new ATOM 0 HE1 MET A 117 2.056 15.501 4.950 1.00 1.22 H new ATOM 0 HE2 MET A 117 2.206 17.204 4.456 1.00 1.22 H new ATOM 0 HE3 MET A 117 0.735 16.287 4.052 1.00 1.22 H new ATOM 1920 N GLU A 125 -1.388 21.842 -13.516 1.00 24.23 N ATOM 1921 CA GLU A 125 -0.217 21.238 -14.126 1.00 61.44 C ATOM 1922 C GLU A 125 0.018 19.885 -13.481 1.00 2.20 C ATOM 1923 O GLU A 125 0.271 18.905 -14.158 1.00 64.35 O ATOM 1924 CB GLU A 125 0.971 22.137 -13.843 1.00 40.02 C ATOM 1925 CG GLU A 125 2.305 21.640 -14.331 1.00 35.45 C ATOM 1926 CD GLU A 125 3.409 22.523 -13.840 1.00 50.22 C ATOM 1927 OE1 GLU A 125 3.753 23.500 -14.525 1.00 4.45 O ATOM 1928 OE2 GLU A 125 3.941 22.267 -12.741 1.00 21.00 O ATOM 0 HA GLU A 125 -0.354 21.116 -15.200 1.00 61.44 H new ATOM 0 HB2 GLU A 125 0.781 23.110 -14.295 1.00 40.02 H new ATOM 0 HB3 GLU A 125 1.035 22.293 -12.766 1.00 40.02 H new ATOM 0 HG2 GLU A 125 2.467 20.619 -13.985 1.00 35.45 H new ATOM 0 HG3 GLU A 125 2.312 21.612 -15.421 1.00 35.45 H new ATOM 1935 N TRP A 126 -0.105 19.845 -12.160 1.00 65.24 N ATOM 1936 CA TRP A 126 0.044 18.613 -11.410 1.00 3.03 C ATOM 1937 C TRP A 126 -0.988 17.592 -11.855 1.00 31.22 C ATOM 1938 O TRP A 126 -0.664 16.408 -12.029 1.00 20.31 O ATOM 1939 CB TRP A 126 -0.054 18.883 -9.908 1.00 34.45 C ATOM 1940 CG TRP A 126 0.053 17.656 -9.045 1.00 63.30 C ATOM 1941 CD1 TRP A 126 0.912 16.600 -9.208 1.00 24.30 C ATOM 1942 CD2 TRP A 126 -0.691 17.386 -7.859 1.00 11.22 C ATOM 1943 NE1 TRP A 126 0.719 15.681 -8.215 1.00 50.32 N ATOM 1944 CE2 TRP A 126 -0.254 16.143 -7.364 1.00 72.40 C ATOM 1945 CE3 TRP A 126 -1.691 18.076 -7.167 1.00 63.52 C ATOM 1946 CZ2 TRP A 126 -0.780 15.578 -6.212 1.00 53.11 C ATOM 1947 CZ3 TRP A 126 -2.213 17.511 -6.021 1.00 25.12 C ATOM 1948 CH2 TRP A 126 -1.758 16.276 -5.555 1.00 11.23 C ATOM 0 H TRP A 126 -0.310 20.662 -11.585 1.00 65.24 H new ATOM 0 HA TRP A 126 1.033 18.200 -11.611 1.00 3.03 H new ATOM 0 HB2 TRP A 126 0.734 19.581 -9.625 1.00 34.45 H new ATOM 0 HB3 TRP A 126 -1.004 19.375 -9.701 1.00 34.45 H new ATOM 0 HD1 TRP A 126 1.635 16.508 -10.005 1.00 24.30 H new ATOM 0 HE1 TRP A 126 1.217 14.796 -8.121 1.00 50.32 H new ATOM 0 HE3 TRP A 126 -2.048 19.032 -7.522 1.00 63.52 H new ATOM 0 HZ2 TRP A 126 -0.431 14.623 -5.847 1.00 53.11 H new ATOM 0 HZ3 TRP A 126 -2.986 18.033 -5.476 1.00 25.12 H new ATOM 0 HH2 TRP A 126 -2.188 15.861 -4.655 1.00 11.23 H new ATOM 1959 N ARG A 127 -2.229 18.050 -12.050 1.00 11.24 N ATOM 1960 CA ARG A 127 -3.293 17.187 -12.563 1.00 13.23 C ATOM 1961 C ARG A 127 -2.866 16.604 -13.890 1.00 64.42 C ATOM 1962 O ARG A 127 -2.912 15.399 -14.088 1.00 64.25 O ATOM 1963 CB ARG A 127 -4.598 17.956 -12.765 1.00 3.01 C ATOM 1964 CG ARG A 127 -5.238 18.521 -11.517 1.00 34.11 C ATOM 1965 CD ARG A 127 -6.502 19.269 -11.891 1.00 31.51 C ATOM 1966 NE ARG A 127 -7.220 19.797 -10.732 1.00 31.31 N ATOM 1967 CZ ARG A 127 -8.306 20.575 -10.811 1.00 63.20 C ATOM 1968 NH1 ARG A 127 -8.767 20.963 -11.998 1.00 64.10 N ATOM 1969 NH2 ARG A 127 -8.926 20.957 -9.712 1.00 55.21 N ATOM 0 H ARG A 127 -2.519 19.010 -11.861 1.00 11.24 H new ATOM 0 HA ARG A 127 -3.466 16.400 -11.829 1.00 13.23 H new ATOM 0 HB2 ARG A 127 -4.408 18.778 -13.455 1.00 3.01 H new ATOM 0 HB3 ARG A 127 -5.316 17.293 -13.248 1.00 3.01 H new ATOM 0 HG2 ARG A 127 -5.472 17.717 -10.819 1.00 34.11 H new ATOM 0 HG3 ARG A 127 -4.543 19.191 -11.010 1.00 34.11 H new ATOM 0 HD2 ARG A 127 -6.246 20.092 -12.558 1.00 31.51 H new ATOM 0 HD3 ARG A 127 -7.161 18.602 -12.446 1.00 31.51 H new ATOM 0 HE ARG A 127 -6.871 19.557 -9.804 1.00 31.31 H new ATOM 0 HH11 ARG A 127 -8.292 20.667 -12.851 1.00 64.10 H new ATOM 0 HH12 ARG A 127 -9.595 21.556 -12.055 1.00 64.10 H new ATOM 0 HH21 ARG A 127 -8.578 20.660 -8.800 1.00 55.21 H new ATOM 0 HH22 ARG A 127 -9.754 21.550 -9.773 1.00 55.21 H new ATOM 1983 N VAL A 128 -2.385 17.478 -14.752 1.00 42.44 N ATOM 1984 CA VAL A 128 -1.924 17.129 -16.082 1.00 62.20 C ATOM 1985 C VAL A 128 -0.782 16.106 -16.018 1.00 51.02 C ATOM 1986 O VAL A 128 -0.834 15.082 -16.688 1.00 55.33 O ATOM 1987 CB VAL A 128 -1.454 18.411 -16.847 1.00 44.22 C ATOM 1988 CG1 VAL A 128 -0.837 18.081 -18.193 1.00 43.51 C ATOM 1989 CG2 VAL A 128 -2.620 19.373 -17.043 1.00 74.11 C ATOM 0 H VAL A 128 -2.302 18.473 -14.543 1.00 42.44 H new ATOM 0 HA VAL A 128 -2.757 16.678 -16.621 1.00 62.20 H new ATOM 0 HB VAL A 128 -0.687 18.883 -16.233 1.00 44.22 H new ATOM 0 HG11 VAL A 128 -0.526 19.002 -18.686 1.00 43.51 H new ATOM 0 HG12 VAL A 128 0.030 17.437 -18.048 1.00 43.51 H new ATOM 0 HG13 VAL A 128 -1.571 17.567 -18.813 1.00 43.51 H new ATOM 0 HG21 VAL A 128 -2.275 20.259 -17.577 1.00 74.11 H new ATOM 0 HG22 VAL A 128 -3.403 18.883 -17.622 1.00 74.11 H new ATOM 0 HG23 VAL A 128 -3.017 19.666 -16.071 1.00 74.11 H new ATOM 1999 N VAL A 129 0.193 16.356 -15.159 1.00 61.21 N ATOM 2000 CA VAL A 129 1.367 15.497 -15.050 1.00 0.10 C ATOM 2001 C VAL A 129 1.005 14.120 -14.495 1.00 44.21 C ATOM 2002 O VAL A 129 1.442 13.096 -15.033 1.00 11.13 O ATOM 2003 CB VAL A 129 2.479 16.153 -14.170 1.00 21.10 C ATOM 2004 CG1 VAL A 129 3.668 15.217 -13.990 1.00 21.43 C ATOM 2005 CG2 VAL A 129 2.945 17.458 -14.798 1.00 51.32 C ATOM 0 H VAL A 129 0.196 17.152 -14.522 1.00 61.21 H new ATOM 0 HA VAL A 129 1.758 15.369 -16.059 1.00 0.10 H new ATOM 0 HB VAL A 129 2.050 16.355 -13.188 1.00 21.10 H new ATOM 0 HG11 VAL A 129 4.424 15.703 -13.373 1.00 21.43 H new ATOM 0 HG12 VAL A 129 3.338 14.299 -13.503 1.00 21.43 H new ATOM 0 HG13 VAL A 129 4.094 14.978 -14.965 1.00 21.43 H new ATOM 0 HG21 VAL A 129 3.720 17.905 -14.175 1.00 51.32 H new ATOM 0 HG22 VAL A 129 3.347 17.260 -15.792 1.00 51.32 H new ATOM 0 HG23 VAL A 129 2.102 18.145 -14.878 1.00 51.32 H new ATOM 2015 N HIS A 130 0.183 14.064 -13.454 1.00 32.33 N ATOM 2016 CA HIS A 130 -0.188 12.758 -12.928 1.00 21.42 C ATOM 2017 C HIS A 130 -1.136 12.027 -13.854 1.00 4.42 C ATOM 2018 O HIS A 130 -1.094 10.819 -13.938 1.00 10.14 O ATOM 2019 CB HIS A 130 -0.650 12.746 -11.442 1.00 74.51 C ATOM 2020 CG HIS A 130 -1.871 13.543 -11.086 1.00 60.43 C ATOM 2021 ND1 HIS A 130 -1.850 14.572 -10.165 1.00 45.33 N ATOM 2022 CD2 HIS A 130 -3.159 13.410 -11.461 1.00 25.32 C ATOM 2023 CE1 HIS A 130 -3.071 15.027 -9.994 1.00 30.44 C ATOM 2024 NE2 HIS A 130 -3.882 14.342 -10.771 1.00 11.41 N ATOM 0 H HIS A 130 -0.223 14.868 -12.976 1.00 32.33 H new ATOM 0 HA HIS A 130 0.743 12.192 -12.903 1.00 21.42 H new ATOM 0 HB2 HIS A 130 -0.830 11.710 -11.155 1.00 74.51 H new ATOM 0 HB3 HIS A 130 0.177 13.107 -10.830 1.00 74.51 H new ATOM 0 HD1 HIS A 130 -1.018 14.924 -9.692 1.00 45.33 H new ATOM 0 HD2 HIS A 130 -3.548 12.699 -12.175 1.00 25.32 H new ATOM 0 HE1 HIS A 130 -3.360 15.827 -9.329 1.00 30.44 H new ATOM 2033 N ALA A 131 -1.951 12.774 -14.582 1.00 14.34 N ATOM 2034 CA ALA A 131 -2.858 12.187 -15.570 1.00 43.45 C ATOM 2035 C ALA A 131 -2.057 11.515 -16.677 1.00 11.25 C ATOM 2036 O ALA A 131 -2.454 10.465 -17.198 1.00 21.03 O ATOM 2037 CB ALA A 131 -3.785 13.236 -16.154 1.00 40.31 C ATOM 0 H ALA A 131 -2.007 13.790 -14.511 1.00 14.34 H new ATOM 0 HA ALA A 131 -3.472 11.439 -15.068 1.00 43.45 H new ATOM 0 HB1 ALA A 131 -4.447 12.771 -16.884 1.00 40.31 H new ATOM 0 HB2 ALA A 131 -4.380 13.680 -15.356 1.00 40.31 H new ATOM 0 HB3 ALA A 131 -3.195 14.012 -16.642 1.00 40.31 H new ATOM 2043 N GLU A 132 -0.893 12.110 -17.000 1.00 44.22 N ATOM 2044 CA GLU A 132 -0.010 11.576 -18.026 1.00 33.15 C ATOM 2045 C GLU A 132 0.487 10.230 -17.620 1.00 24.02 C ATOM 2046 O GLU A 132 0.590 9.329 -18.424 1.00 71.15 O ATOM 2047 CB GLU A 132 1.192 12.474 -18.286 1.00 11.31 C ATOM 2048 CG GLU A 132 0.866 13.831 -18.848 1.00 44.52 C ATOM 2049 CD GLU A 132 2.110 14.586 -19.198 1.00 45.01 C ATOM 2050 OE1 GLU A 132 2.691 14.292 -20.265 1.00 43.54 O ATOM 2051 OE2 GLU A 132 2.551 15.453 -18.421 1.00 11.13 O ATOM 0 H GLU A 132 -0.551 12.963 -16.557 1.00 44.22 H new ATOM 0 HA GLU A 132 -0.596 11.515 -18.943 1.00 33.15 H new ATOM 0 HB2 GLU A 132 1.736 12.606 -17.351 1.00 11.31 H new ATOM 0 HB3 GLU A 132 1.864 11.964 -18.976 1.00 11.31 H new ATOM 0 HG2 GLU A 132 0.243 13.720 -19.736 1.00 44.52 H new ATOM 0 HG3 GLU A 132 0.286 14.399 -18.121 1.00 44.52 H new ATOM 2058 N LYS A 133 0.752 10.099 -16.351 1.00 1.14 N ATOM 2059 CA LYS A 133 1.282 8.885 -15.785 1.00 33.15 C ATOM 2060 C LYS A 133 0.301 7.736 -15.975 1.00 33.12 C ATOM 2061 O LYS A 133 0.696 6.600 -16.259 1.00 44.31 O ATOM 2062 CB LYS A 133 1.572 9.106 -14.314 1.00 40.41 C ATOM 2063 CG LYS A 133 2.553 10.258 -13.961 1.00 54.44 C ATOM 2064 CD LYS A 133 3.931 10.180 -14.657 1.00 74.43 C ATOM 2065 CE LYS A 133 3.895 10.688 -16.100 1.00 33.43 C ATOM 2066 NZ LYS A 133 5.201 10.608 -16.761 1.00 62.21 N ATOM 0 H LYS A 133 0.605 10.842 -15.668 1.00 1.14 H new ATOM 0 HA LYS A 133 2.208 8.621 -16.296 1.00 33.15 H new ATOM 0 HB2 LYS A 133 0.627 9.297 -13.806 1.00 40.41 H new ATOM 0 HB3 LYS A 133 1.974 8.180 -13.904 1.00 40.41 H new ATOM 0 HG2 LYS A 133 2.084 11.207 -14.222 1.00 54.44 H new ATOM 0 HG3 LYS A 133 2.708 10.265 -12.882 1.00 54.44 H new ATOM 0 HD2 LYS A 133 4.654 10.765 -14.088 1.00 74.43 H new ATOM 0 HD3 LYS A 133 4.279 9.147 -14.649 1.00 74.43 H new ATOM 0 HE2 LYS A 133 3.169 10.106 -16.668 1.00 33.43 H new ATOM 0 HE3 LYS A 133 3.551 11.722 -16.108 1.00 33.43 H new ATOM 0 HZ1 LYS A 133 5.067 10.395 -17.770 1.00 62.21 H new ATOM 0 HZ2 LYS A 133 5.696 11.517 -16.662 1.00 62.21 H new ATOM 0 HZ3 LYS A 133 5.768 9.855 -16.320 1.00 62.21 H new ATOM 2080 N PHE A 134 -0.968 8.039 -15.838 1.00 1.31 N ATOM 2081 CA PHE A 134 -1.997 7.055 -16.049 1.00 23.43 C ATOM 2082 C PHE A 134 -2.160 6.742 -17.528 1.00 34.22 C ATOM 2083 O PHE A 134 -2.083 5.576 -17.924 1.00 42.43 O ATOM 2084 CB PHE A 134 -3.325 7.480 -15.409 1.00 21.35 C ATOM 2085 CG PHE A 134 -3.299 7.475 -13.901 1.00 33.32 C ATOM 2086 CD1 PHE A 134 -2.843 8.571 -13.184 1.00 21.20 C ATOM 2087 CD2 PHE A 134 -3.735 6.363 -13.202 1.00 15.02 C ATOM 2088 CE1 PHE A 134 -2.825 8.553 -11.802 1.00 64.25 C ATOM 2089 CE2 PHE A 134 -3.718 6.341 -11.825 1.00 21.51 C ATOM 2090 CZ PHE A 134 -3.262 7.437 -11.123 1.00 62.20 C ATOM 0 H PHE A 134 -1.311 8.964 -15.580 1.00 1.31 H new ATOM 0 HA PHE A 134 -1.683 6.137 -15.552 1.00 23.43 H new ATOM 0 HB2 PHE A 134 -3.582 8.481 -15.756 1.00 21.35 H new ATOM 0 HB3 PHE A 134 -4.114 6.811 -15.752 1.00 21.35 H new ATOM 0 HD1 PHE A 134 -2.498 9.448 -13.711 1.00 21.20 H new ATOM 0 HD2 PHE A 134 -4.094 5.500 -13.744 1.00 15.02 H new ATOM 0 HE1 PHE A 134 -2.469 9.413 -11.255 1.00 64.25 H new ATOM 0 HE2 PHE A 134 -4.062 5.465 -11.295 1.00 21.51 H new ATOM 0 HZ PHE A 134 -3.248 7.420 -10.043 1.00 62.20 H new ATOM 2100 N VAL A 135 -2.336 7.780 -18.357 1.00 55.55 N ATOM 2101 CA VAL A 135 -2.519 7.578 -19.791 1.00 60.34 C ATOM 2102 C VAL A 135 -1.315 6.864 -20.435 1.00 72.53 C ATOM 2103 O VAL A 135 -1.502 5.995 -21.273 1.00 53.51 O ATOM 2104 CB VAL A 135 -2.917 8.885 -20.570 1.00 2.43 C ATOM 2105 CG1 VAL A 135 -1.895 9.972 -20.406 1.00 50.53 C ATOM 2106 CG2 VAL A 135 -3.151 8.604 -22.041 1.00 30.43 C ATOM 0 H VAL A 135 -2.355 8.755 -18.059 1.00 55.55 H new ATOM 0 HA VAL A 135 -3.378 6.913 -19.882 1.00 60.34 H new ATOM 0 HB VAL A 135 -3.851 9.235 -20.131 1.00 2.43 H new ATOM 0 HG11 VAL A 135 -2.211 10.855 -20.961 1.00 50.53 H new ATOM 0 HG12 VAL A 135 -1.797 10.223 -19.350 1.00 50.53 H new ATOM 0 HG13 VAL A 135 -0.934 9.628 -20.788 1.00 50.53 H new ATOM 0 HG21 VAL A 135 -3.424 9.529 -22.549 1.00 30.43 H new ATOM 0 HG22 VAL A 135 -2.240 8.202 -22.484 1.00 30.43 H new ATOM 0 HG23 VAL A 135 -3.957 7.879 -22.149 1.00 30.43 H new ATOM 2116 N GLU A 136 -0.090 7.201 -20.008 1.00 30.30 N ATOM 2117 CA GLU A 136 1.106 6.512 -20.509 1.00 60.21 C ATOM 2118 C GLU A 136 1.041 5.032 -20.218 1.00 4.25 C ATOM 2119 O GLU A 136 1.341 4.214 -21.083 1.00 10.13 O ATOM 2120 CB GLU A 136 2.404 7.109 -19.956 1.00 53.11 C ATOM 2121 CG GLU A 136 2.717 8.484 -20.494 1.00 3.53 C ATOM 2122 CD GLU A 136 4.019 9.044 -19.962 1.00 31.41 C ATOM 2123 OE1 GLU A 136 5.090 8.463 -20.241 1.00 22.33 O ATOM 2124 OE2 GLU A 136 4.003 10.069 -19.252 1.00 41.25 O ATOM 0 H GLU A 136 0.097 7.936 -19.326 1.00 30.30 H new ATOM 0 HA GLU A 136 1.118 6.659 -21.589 1.00 60.21 H new ATOM 0 HB2 GLU A 136 2.336 7.161 -18.869 1.00 53.11 H new ATOM 0 HB3 GLU A 136 3.231 6.439 -20.192 1.00 53.11 H new ATOM 0 HG2 GLU A 136 2.764 8.441 -21.582 1.00 3.53 H new ATOM 0 HG3 GLU A 136 1.904 9.163 -20.237 1.00 3.53 H new ATOM 2131 N THR A 137 0.623 4.698 -19.013 1.00 32.41 N ATOM 2132 CA THR A 137 0.457 3.310 -18.618 1.00 53.21 C ATOM 2133 C THR A 137 -0.538 2.610 -19.558 1.00 63.40 C ATOM 2134 O THR A 137 -0.253 1.523 -20.088 1.00 62.00 O ATOM 2135 CB THR A 137 -0.040 3.185 -17.160 1.00 4.12 C ATOM 2136 OG1 THR A 137 0.893 3.832 -16.276 1.00 21.53 O ATOM 2137 CG2 THR A 137 -0.172 1.711 -16.769 1.00 62.20 C ATOM 0 H THR A 137 0.390 5.373 -18.285 1.00 32.41 H new ATOM 0 HA THR A 137 1.434 2.831 -18.687 1.00 53.21 H new ATOM 0 HB THR A 137 -1.016 3.663 -17.079 1.00 4.12 H new ATOM 0 HG1 THR A 137 0.757 4.802 -16.310 1.00 21.53 H new ATOM 0 HG21 THR A 137 -0.523 1.638 -15.740 1.00 62.20 H new ATOM 0 HG22 THR A 137 -0.886 1.221 -17.431 1.00 62.20 H new ATOM 0 HG23 THR A 137 0.799 1.223 -16.857 1.00 62.20 H new ATOM 2145 N PHE A 138 -1.687 3.248 -19.786 1.00 13.52 N ATOM 2146 CA PHE A 138 -2.681 2.699 -20.687 1.00 43.44 C ATOM 2147 C PHE A 138 -2.141 2.569 -22.101 1.00 12.45 C ATOM 2148 O PHE A 138 -2.321 1.541 -22.726 1.00 42.25 O ATOM 2149 CB PHE A 138 -4.007 3.486 -20.664 1.00 54.33 C ATOM 2150 CG PHE A 138 -4.765 3.371 -19.364 1.00 73.31 C ATOM 2151 CD1 PHE A 138 -5.465 2.214 -19.063 1.00 34.03 C ATOM 2152 CD2 PHE A 138 -4.787 4.412 -18.456 1.00 2.14 C ATOM 2153 CE1 PHE A 138 -6.168 2.097 -17.878 1.00 20.52 C ATOM 2154 CE2 PHE A 138 -5.486 4.304 -17.269 1.00 21.42 C ATOM 2155 CZ PHE A 138 -6.178 3.143 -16.981 1.00 42.33 C ATOM 0 H PHE A 138 -1.944 4.138 -19.359 1.00 13.52 H new ATOM 0 HA PHE A 138 -2.907 1.698 -20.320 1.00 43.44 H new ATOM 0 HB2 PHE A 138 -3.797 4.538 -20.859 1.00 54.33 H new ATOM 0 HB3 PHE A 138 -4.642 3.132 -21.476 1.00 54.33 H new ATOM 0 HD1 PHE A 138 -5.462 1.392 -19.764 1.00 34.03 H new ATOM 0 HD2 PHE A 138 -4.250 5.323 -18.677 1.00 2.14 H new ATOM 0 HE1 PHE A 138 -6.708 1.188 -17.656 1.00 20.52 H new ATOM 0 HE2 PHE A 138 -5.492 5.125 -16.568 1.00 21.42 H new ATOM 0 HZ PHE A 138 -6.726 3.056 -16.054 1.00 42.33 H new ATOM 2165 N ARG A 139 -1.439 3.599 -22.580 1.00 54.32 N ATOM 2166 CA ARG A 139 -0.867 3.575 -23.930 1.00 62.43 C ATOM 2167 C ARG A 139 0.106 2.419 -24.090 1.00 41.23 C ATOM 2168 O ARG A 139 0.046 1.706 -25.079 1.00 14.35 O ATOM 2169 CB ARG A 139 -0.182 4.899 -24.303 1.00 63.51 C ATOM 2170 CG ARG A 139 -1.104 6.104 -24.277 1.00 74.01 C ATOM 2171 CD ARG A 139 -0.393 7.369 -24.731 1.00 11.11 C ATOM 2172 NE ARG A 139 -0.042 7.332 -26.158 1.00 50.33 N ATOM 2173 CZ ARG A 139 0.715 8.249 -26.790 1.00 22.42 C ATOM 2174 NH1 ARG A 139 1.327 9.216 -26.097 1.00 24.13 N ATOM 2175 NH2 ARG A 139 0.872 8.185 -28.107 1.00 41.33 N ATOM 0 H ARG A 139 -1.253 4.455 -22.058 1.00 54.32 H new ATOM 0 HA ARG A 139 -1.702 3.434 -24.617 1.00 62.43 H new ATOM 0 HB2 ARG A 139 0.645 5.074 -23.615 1.00 63.51 H new ATOM 0 HB3 ARG A 139 0.247 4.805 -25.301 1.00 63.51 H new ATOM 0 HG2 ARG A 139 -1.963 5.918 -24.922 1.00 74.01 H new ATOM 0 HG3 ARG A 139 -1.489 6.246 -23.267 1.00 74.01 H new ATOM 0 HD2 ARG A 139 -1.032 8.231 -24.539 1.00 11.11 H new ATOM 0 HD3 ARG A 139 0.513 7.506 -24.140 1.00 11.11 H new ATOM 0 HE ARG A 139 -0.399 6.553 -26.711 1.00 50.33 H new ATOM 0 HH11 ARG A 139 1.222 9.262 -25.083 1.00 24.13 H new ATOM 0 HH12 ARG A 139 1.899 9.907 -26.582 1.00 24.13 H new ATOM 0 HH21 ARG A 139 0.419 7.442 -28.639 1.00 41.33 H new ATOM 0 HH22 ARG A 139 1.445 8.879 -28.587 1.00 41.33 H new ATOM 2189 N LYS A 140 0.977 2.222 -23.094 1.00 73.15 N ATOM 2190 CA LYS A 140 1.948 1.123 -23.119 1.00 21.14 C ATOM 2191 C LYS A 140 1.236 -0.215 -23.154 1.00 13.54 C ATOM 2192 O LYS A 140 1.571 -1.087 -23.957 1.00 41.34 O ATOM 2193 CB LYS A 140 2.871 1.163 -21.900 1.00 33.31 C ATOM 2194 CG LYS A 140 3.723 2.405 -21.787 1.00 12.41 C ATOM 2195 CD LYS A 140 4.591 2.365 -20.540 1.00 55.43 C ATOM 2196 CE LYS A 140 5.457 3.609 -20.424 1.00 42.14 C ATOM 2197 NZ LYS A 140 6.409 3.736 -21.555 1.00 41.44 N ATOM 0 H LYS A 140 1.029 2.809 -22.261 1.00 73.15 H new ATOM 0 HA LYS A 140 2.550 1.245 -24.020 1.00 21.14 H new ATOM 0 HB2 LYS A 140 2.263 1.074 -20.999 1.00 33.31 H new ATOM 0 HB3 LYS A 140 3.526 0.292 -21.930 1.00 33.31 H new ATOM 0 HG2 LYS A 140 4.355 2.497 -22.670 1.00 12.41 H new ATOM 0 HG3 LYS A 140 3.083 3.287 -21.760 1.00 12.41 H new ATOM 0 HD2 LYS A 140 3.958 2.278 -19.657 1.00 55.43 H new ATOM 0 HD3 LYS A 140 5.226 1.479 -20.566 1.00 55.43 H new ATOM 0 HE2 LYS A 140 4.819 4.492 -20.387 1.00 42.14 H new ATOM 0 HE3 LYS A 140 6.012 3.578 -19.486 1.00 42.14 H new ATOM 0 HZ1 LYS A 140 7.110 4.473 -21.338 1.00 41.44 H new ATOM 0 HZ2 LYS A 140 6.895 2.829 -21.703 1.00 41.44 H new ATOM 0 HZ3 LYS A 140 5.890 3.995 -22.418 1.00 41.44 H new ATOM 2211 N MET A 141 0.245 -0.373 -22.282 1.00 44.52 N ATOM 2212 CA MET A 141 -0.527 -1.608 -22.223 1.00 33.51 C ATOM 2213 C MET A 141 -1.278 -1.841 -23.520 1.00 34.02 C ATOM 2214 O MET A 141 -1.423 -2.982 -23.969 1.00 71.31 O ATOM 2215 CB MET A 141 -1.475 -1.638 -21.014 1.00 51.34 C ATOM 2216 CG MET A 141 -0.773 -1.675 -19.672 1.00 72.12 C ATOM 2217 SD MET A 141 -1.923 -1.884 -18.293 1.00 51.51 S ATOM 2218 CE MET A 141 -2.998 -0.461 -18.493 1.00 22.42 C ATOM 0 H MET A 141 -0.041 0.337 -21.608 1.00 44.52 H new ATOM 0 HA MET A 141 0.180 -2.427 -22.091 1.00 33.51 H new ATOM 0 HB2 MET A 141 -2.119 -0.759 -21.050 1.00 51.34 H new ATOM 0 HB3 MET A 141 -2.122 -2.511 -21.096 1.00 51.34 H new ATOM 0 HG2 MET A 141 -0.051 -2.492 -19.666 1.00 72.12 H new ATOM 0 HG3 MET A 141 -0.210 -0.752 -19.535 1.00 72.12 H new ATOM 0 HE1 MET A 141 -3.550 -0.289 -17.569 1.00 22.42 H new ATOM 0 HE2 MET A 141 -2.398 0.419 -18.726 1.00 22.42 H new ATOM 0 HE3 MET A 141 -3.700 -0.647 -19.306 1.00 22.42 H new ATOM 2228 N LEU A 142 -1.732 -0.766 -24.133 1.00 61.22 N ATOM 2229 CA LEU A 142 -2.380 -0.857 -25.415 1.00 32.41 C ATOM 2230 C LEU A 142 -1.390 -1.237 -26.484 1.00 4.34 C ATOM 2231 O LEU A 142 -1.705 -2.027 -27.322 1.00 50.05 O ATOM 2232 CB LEU A 142 -3.123 0.425 -25.780 1.00 24.44 C ATOM 2233 CG LEU A 142 -4.305 0.798 -24.888 1.00 71.51 C ATOM 2234 CD1 LEU A 142 -4.922 2.105 -25.345 1.00 33.13 C ATOM 2235 CD2 LEU A 142 -5.344 -0.316 -24.884 1.00 73.41 C ATOM 0 H LEU A 142 -1.661 0.180 -23.759 1.00 61.22 H new ATOM 0 HA LEU A 142 -3.131 -1.644 -25.344 1.00 32.41 H new ATOM 0 HB2 LEU A 142 -2.410 1.250 -25.766 1.00 24.44 H new ATOM 0 HB3 LEU A 142 -3.483 0.332 -26.805 1.00 24.44 H new ATOM 0 HG LEU A 142 -3.941 0.929 -23.869 1.00 71.51 H new ATOM 0 HD11 LEU A 142 -5.763 2.356 -24.699 1.00 33.13 H new ATOM 0 HD12 LEU A 142 -4.175 2.897 -25.293 1.00 33.13 H new ATOM 0 HD13 LEU A 142 -5.272 2.003 -26.372 1.00 33.13 H new ATOM 0 HD21 LEU A 142 -6.179 -0.033 -24.243 1.00 73.41 H new ATOM 0 HD22 LEU A 142 -5.705 -0.480 -25.899 1.00 73.41 H new ATOM 0 HD23 LEU A 142 -4.892 -1.233 -24.507 1.00 73.41 H new ATOM 2247 N GLU A 143 -0.164 -0.695 -26.412 1.00 24.23 N ATOM 2248 CA GLU A 143 0.899 -1.044 -27.369 1.00 3.22 C ATOM 2249 C GLU A 143 1.187 -2.537 -27.319 1.00 53.00 C ATOM 2250 O GLU A 143 1.452 -3.160 -28.345 1.00 54.50 O ATOM 2251 CB GLU A 143 2.188 -0.255 -27.103 1.00 74.41 C ATOM 2252 CG GLU A 143 2.099 1.242 -27.368 1.00 72.45 C ATOM 2253 CD GLU A 143 1.849 1.571 -28.830 1.00 71.04 C ATOM 2254 OE1 GLU A 143 2.799 1.516 -29.626 1.00 24.32 O ATOM 2255 OE2 GLU A 143 0.707 1.915 -29.198 1.00 13.15 O ATOM 0 H GLU A 143 0.116 -0.016 -25.704 1.00 24.23 H new ATOM 0 HA GLU A 143 0.542 -0.777 -28.364 1.00 3.22 H new ATOM 0 HB2 GLU A 143 2.480 -0.407 -26.064 1.00 74.41 H new ATOM 0 HB3 GLU A 143 2.983 -0.671 -27.722 1.00 74.41 H new ATOM 0 HG2 GLU A 143 1.297 1.666 -26.763 1.00 72.45 H new ATOM 0 HG3 GLU A 143 3.026 1.718 -27.047 1.00 72.45 H new ATOM 2262 N TRP A 144 1.114 -3.108 -26.130 1.00 62.21 N ATOM 2263 CA TRP A 144 1.275 -4.537 -25.971 1.00 62.45 C ATOM 2264 C TRP A 144 0.126 -5.344 -26.576 1.00 34.53 C ATOM 2265 O TRP A 144 0.360 -6.366 -27.206 1.00 23.10 O ATOM 2266 CB TRP A 144 1.586 -4.941 -24.528 1.00 15.54 C ATOM 2267 CG TRP A 144 3.040 -4.812 -24.188 1.00 2.21 C ATOM 2268 CD1 TRP A 144 4.048 -5.487 -24.790 1.00 64.54 C ATOM 2269 CD2 TRP A 144 3.652 -4.009 -23.168 1.00 12.02 C ATOM 2270 NE1 TRP A 144 5.245 -5.170 -24.236 1.00 62.22 N ATOM 2271 CE2 TRP A 144 5.040 -4.258 -23.232 1.00 35.31 C ATOM 2272 CE3 TRP A 144 3.175 -3.108 -22.216 1.00 60.40 C ATOM 2273 CZ2 TRP A 144 5.950 -3.636 -22.379 1.00 23.01 C ATOM 2274 CZ3 TRP A 144 4.079 -2.492 -21.370 1.00 62.14 C ATOM 2275 CH2 TRP A 144 5.450 -2.757 -21.456 1.00 30.21 C ATOM 0 H TRP A 144 0.944 -2.601 -25.261 1.00 62.21 H new ATOM 0 HA TRP A 144 2.157 -4.799 -26.556 1.00 62.45 H new ATOM 0 HB2 TRP A 144 1.002 -4.320 -23.848 1.00 15.54 H new ATOM 0 HB3 TRP A 144 1.271 -5.972 -24.368 1.00 15.54 H new ATOM 0 HD1 TRP A 144 3.916 -6.185 -25.603 1.00 64.54 H new ATOM 0 HE1 TRP A 144 6.149 -5.548 -24.519 1.00 62.22 H new ATOM 0 HE3 TRP A 144 2.119 -2.895 -22.141 1.00 60.40 H new ATOM 0 HZ2 TRP A 144 7.009 -3.840 -22.444 1.00 23.01 H new ATOM 0 HZ3 TRP A 144 3.720 -1.793 -20.629 1.00 62.14 H new ATOM 0 HH2 TRP A 144 6.128 -2.258 -20.780 1.00 30.21 H new ATOM 2286 N ASN A 145 -1.097 -4.881 -26.409 1.00 3.24 N ATOM 2287 CA ASN A 145 -2.265 -5.564 -27.016 1.00 51.23 C ATOM 2288 C ASN A 145 -2.316 -5.307 -28.518 1.00 3.52 C ATOM 2289 O ASN A 145 -2.845 -6.095 -29.283 1.00 11.51 O ATOM 2290 CB ASN A 145 -3.599 -5.120 -26.376 1.00 4.13 C ATOM 2291 CG ASN A 145 -3.814 -5.606 -24.947 1.00 3.12 C ATOM 2292 OD1 ASN A 145 -2.875 -5.788 -24.171 1.00 24.42 O ATOM 2293 ND2 ASN A 145 -5.059 -5.822 -24.594 1.00 25.14 N ATOM 0 H ASN A 145 -1.326 -4.047 -25.868 1.00 3.24 H new ATOM 0 HA ASN A 145 -2.138 -6.630 -26.828 1.00 51.23 H new ATOM 0 HB2 ASN A 145 -3.646 -4.031 -26.386 1.00 4.13 H new ATOM 0 HB3 ASN A 145 -4.421 -5.480 -26.995 1.00 4.13 H new ATOM 0 HD21 ASN A 145 -5.272 -6.151 -23.652 1.00 25.14 H new ATOM 0 HD22 ASN A 145 -5.814 -5.661 -25.261 1.00 25.14 H new ATOM 2300 N LYS A 146 -1.744 -4.211 -28.906 1.00 72.24 N ATOM 2301 CA LYS A 146 -1.690 -3.747 -30.285 1.00 23.40 C ATOM 2302 C LYS A 146 -0.617 -4.470 -31.094 1.00 20.44 C ATOM 2303 O LYS A 146 -0.764 -4.658 -32.302 1.00 74.43 O ATOM 2304 CB LYS A 146 -1.378 -2.259 -30.226 1.00 30.33 C ATOM 2305 CG LYS A 146 -1.085 -1.540 -31.515 1.00 25.20 C ATOM 2306 CD LYS A 146 -0.761 -0.106 -31.177 1.00 0.21 C ATOM 2307 CE LYS A 146 -0.286 0.695 -32.354 1.00 62.31 C ATOM 2308 NZ LYS A 146 0.021 2.074 -31.938 1.00 32.44 N ATOM 0 H LYS A 146 -1.278 -3.578 -28.255 1.00 72.24 H new ATOM 0 HA LYS A 146 -2.639 -3.949 -30.782 1.00 23.40 H new ATOM 0 HB2 LYS A 146 -2.224 -1.761 -29.752 1.00 30.33 H new ATOM 0 HB3 LYS A 146 -0.519 -2.125 -29.568 1.00 30.33 H new ATOM 0 HG2 LYS A 146 -0.249 -2.009 -32.033 1.00 25.20 H new ATOM 0 HG3 LYS A 146 -1.943 -1.590 -32.185 1.00 25.20 H new ATOM 0 HD2 LYS A 146 -1.648 0.369 -30.758 1.00 0.21 H new ATOM 0 HD3 LYS A 146 0.006 -0.088 -30.402 1.00 0.21 H new ATOM 0 HE2 LYS A 146 0.601 0.231 -32.785 1.00 62.31 H new ATOM 0 HE3 LYS A 146 -1.051 0.703 -33.131 1.00 62.31 H new ATOM 0 HZ1 LYS A 146 0.777 2.458 -32.540 1.00 32.44 H new ATOM 0 HZ2 LYS A 146 -0.831 2.663 -32.033 1.00 32.44 H new ATOM 0 HZ3 LYS A 146 0.334 2.076 -30.946 1.00 32.44 H new ATOM 2322 N ASN A 147 0.444 -4.877 -30.445 1.00 1.22 N ATOM 2323 CA ASN A 147 1.542 -5.500 -31.158 1.00 11.21 C ATOM 2324 C ASN A 147 1.837 -6.906 -30.657 1.00 52.05 C ATOM 2325 O ASN A 147 2.477 -7.083 -29.610 1.00 50.43 O ATOM 2326 CB ASN A 147 2.831 -4.652 -31.076 1.00 53.04 C ATOM 2327 CG ASN A 147 2.696 -3.265 -31.675 1.00 41.25 C ATOM 2328 OD1 ASN A 147 2.927 -3.057 -32.864 1.00 32.22 O ATOM 2329 ND2 ASN A 147 2.343 -2.304 -30.858 1.00 22.05 N ATOM 0 H ASN A 147 0.576 -4.792 -29.437 1.00 1.22 H new ATOM 0 HA ASN A 147 1.220 -5.565 -32.197 1.00 11.21 H new ATOM 0 HB2 ASN A 147 3.126 -4.558 -30.031 1.00 53.04 H new ATOM 0 HB3 ASN A 147 3.635 -5.181 -31.588 1.00 53.04 H new ATOM 0 HD21 ASN A 147 2.253 -1.349 -31.203 1.00 22.05 H new ATOM 0 HD22 ASN A 147 2.159 -2.511 -29.876 1.00 22.05 H new ATOM 2336 N PRO A 148 1.351 -7.936 -31.371 1.00 41.30 N ATOM 2337 CA PRO A 148 1.690 -9.338 -31.070 1.00 33.25 C ATOM 2338 C PRO A 148 3.191 -9.563 -31.239 1.00 25.03 C ATOM 2339 O PRO A 148 3.824 -10.299 -30.478 1.00 74.55 O ATOM 2340 CB PRO A 148 0.918 -10.128 -32.136 1.00 34.14 C ATOM 2341 CG PRO A 148 -0.174 -9.217 -32.571 1.00 33.15 C ATOM 2342 CD PRO A 148 0.394 -7.833 -32.491 1.00 71.31 C ATOM 0 HA PRO A 148 1.438 -9.630 -30.051 1.00 33.25 H new ATOM 0 HB2 PRO A 148 1.563 -10.399 -32.972 1.00 34.14 H new ATOM 0 HB3 PRO A 148 0.519 -11.057 -31.728 1.00 34.14 H new ATOM 0 HG2 PRO A 148 -0.496 -9.449 -33.586 1.00 33.15 H new ATOM 0 HG3 PRO A 148 -1.048 -9.319 -31.928 1.00 33.15 H new ATOM 0 HD2 PRO A 148 0.887 -7.544 -33.419 1.00 71.31 H new ATOM 0 HD3 PRO A 148 -0.379 -7.089 -32.296 1.00 71.31 H new ATOM 2350 N ASN A 149 3.750 -8.877 -32.224 1.00 31.51 N ATOM 2351 CA ASN A 149 5.171 -8.951 -32.548 1.00 62.14 C ATOM 2352 C ASN A 149 5.990 -7.976 -31.682 1.00 43.05 C ATOM 2353 O ASN A 149 7.229 -8.019 -31.661 1.00 33.11 O ATOM 2354 CB ASN A 149 5.363 -8.689 -34.062 1.00 43.15 C ATOM 2355 CG ASN A 149 6.813 -8.644 -34.520 1.00 32.12 C ATOM 2356 OD1 ASN A 149 7.419 -9.675 -34.816 1.00 75.22 O ATOM 2357 ND2 ASN A 149 7.362 -7.456 -34.638 1.00 20.43 N ATOM 0 H ASN A 149 3.226 -8.245 -32.829 1.00 31.51 H new ATOM 0 HA ASN A 149 5.543 -9.950 -32.322 1.00 62.14 H new ATOM 0 HB2 ASN A 149 4.844 -9.468 -34.620 1.00 43.15 H new ATOM 0 HB3 ASN A 149 4.886 -7.742 -34.317 1.00 43.15 H new ATOM 0 HD21 ASN A 149 8.318 -7.368 -34.984 1.00 20.43 H new ATOM 0 HD22 ASN A 149 6.832 -6.622 -34.384 1.00 20.43 H new ATOM 2364 N GLY A 150 5.286 -7.124 -30.941 1.00 73.01 N ATOM 2365 CA GLY A 150 5.940 -6.152 -30.076 1.00 41.54 C ATOM 2366 C GLY A 150 6.623 -6.827 -28.914 1.00 42.42 C ATOM 2367 O GLY A 150 7.653 -6.362 -28.410 1.00 14.51 O ATOM 0 H GLY A 150 4.267 -7.089 -30.923 1.00 73.01 H new ATOM 0 HA2 GLY A 150 6.672 -5.584 -30.651 1.00 41.54 H new ATOM 0 HA3 GLY A 150 5.204 -5.439 -29.704 1.00 41.54 H new